USER MOD reduce.3.24.130724 H: found=0, std=0, add=1438, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 85 SER OG : rot 180:sc= -0.125 USER MOD Set 1.2: B 89 MET CE :methyl -169:sc= 0 (180deg=-0.0553) USER MOD Set 2.1: B 19 ASN : amide:sc= 0.453 K(o=1,f=-2.5!) USER MOD Set 2.2: B 52 SER OG : rot 89:sc= 0.592 USER MOD Set 3.1: A 28 CYS SG : rot 91:sc= 1.47 USER MOD Set 3.2: B 28 CYS SG : rot 146:sc= 0.629 USER MOD Set 4.1: B 16 THR OG1 : rot -59:sc= 0.869 USER MOD Set 4.2: B 53 HIS : no HD1:sc= -0.66! K(o=0.21!,f=-6.2) USER MOD Set 5.1: A 85 SER OG : rot 180:sc= -0.0924 USER MOD Set 5.2: A 89 MET CE :methyl -170:sc= 0 (180deg=-0.0535) USER MOD Set 6.1: A 19 ASN : amide:sc= 0.488 K(o=1,f=-2.6!) USER MOD Set 6.2: A 52 SER OG : rot 89:sc= 0.554 USER MOD Set 7.1: A 16 THR OG1 : rot -60:sc= 0.859 USER MOD Set 7.2: A 53 HIS : no HD1:sc= -0.858! K(o=0.0012!,f=-6.2) USER MOD Single : A 8 HIS : no HE2:sc= -0.376 K(o=-0.38,f=-2.4) USER MOD Single : A 10 ASN : amide:sc= -0.0783 K(o=-0.078,f=-2.8!) USER MOD Single : A 20 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=-0.024) USER MOD Single : A 24 MET CE :methyl -161:sc= -2.55! (180deg=-2.77) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.39) USER MOD Single : A 37 ASN : amide:sc= -0.204 K(o=-0.2,f=-2) USER MOD Single : A 43 CYS SG : rot 180:sc= -2.57! USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 79:sc= 0.305 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.304 K(o=0.3,f=-2.9!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 GLN : amide:sc=-0.00409 X(o=-0.0041,f=-0.0041) USER MOD Single : A 67 MET CE :methyl -133:sc= -1.93 (180deg=-4.51!) USER MOD Single : A 69 SER OG : rot 70:sc= 0.676 USER MOD Single : A 70 GLN : amide:sc= -1.6 X(o=-1.6,f=-1.9!) USER MOD Single : A 73 LYS NZ :NH3+ 145:sc= -0.0487 (180deg=-0.112) USER MOD Single : A 79 LYS NZ :NH3+ -147:sc= 0.641 (180deg=0.152) USER MOD Single : A 81 GLN : amide:sc= 0.0644 K(o=0.064,f=-2.8!) USER MOD Single : A 83 ASN : amide:sc=-0.00382 X(o=-0.0038,f=-0.0022) USER MOD Single : A 84 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc=-0.00337 X(o=-0.0034,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 ASN : amide:sc= -0.238 K(o=-0.24,f=-3.7!) USER MOD Single : B 20 HIS : no HD1:sc= -0.0329 X(o=-0.033,f=-0.037) USER MOD Single : B 24 MET CE :methyl -163:sc= -2.45! (180deg=-2.7) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 HIS : no HD1:sc= -0.196 X(o=-0.2,f=-0.62) USER MOD Single : B 37 ASN : amide:sc= -0.537 K(o=-0.54,f=-2.6!) USER MOD Single : B 43 CYS SG : rot 180:sc= -2.52! USER MOD Single : B 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 SER OG : rot 79:sc= 0.338 USER MOD Single : B 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 ASN : amide:sc= 0.403 K(o=0.4,f=-3.2!) USER MOD Single : B 62 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : B 66 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.016) USER MOD Single : B 67 MET CE :methyl -131:sc= -2.1 (180deg=-4.52!) USER MOD Single : B 69 SER OG : rot 68:sc= 0.924 USER MOD Single : B 70 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.1!) USER MOD Single : B 73 LYS NZ :NH3+ 145:sc= -0.05 (180deg=-0.218) USER MOD Single : B 79 LYS NZ :NH3+ -148:sc= 0.507 (180deg=0.102) USER MOD Single : B 81 GLN : amide:sc= 0.0506 K(o=0.051,f=-2.6!) USER MOD Single : B 83 ASN : amide:sc=-0.00811 X(o=-0.0081,f=-0.0081) USER MOD Single : B 84 GLN : amide:sc= -0.621 K(o=-0.62,f=0) USER MOD Single : B 88 THR OG1 : rot 180:sc= 0 USER MOD Single : B 91 ASN : amide:sc= -0.0105 X(o=-0.01,f=0) USER MOD Single : B 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N HIS A 8 15.946 -3.059 -12.820 1.00 41.31 N ATOM 98 CA HIS A 8 16.375 -1.780 -12.221 1.00 30.41 C ATOM 99 C HIS A 8 15.492 -0.614 -12.760 1.00 74.42 C ATOM 100 O HIS A 8 15.742 0.562 -12.464 1.00 14.14 O ATOM 101 CB HIS A 8 17.890 -1.566 -12.534 1.00 21.31 C ATOM 102 CG HIS A 8 18.590 -0.579 -11.629 1.00 51.30 C ATOM 103 ND1 HIS A 8 19.172 -0.950 -10.434 1.00 31.34 N ATOM 104 CD2 HIS A 8 18.823 0.752 -11.751 1.00 72.24 C ATOM 105 CE1 HIS A 8 19.725 0.101 -9.870 1.00 53.41 C ATOM 106 NE2 HIS A 8 19.527 1.144 -10.646 1.00 73.31 N ATOM 0 HA HIS A 8 16.247 -1.801 -11.139 1.00 30.41 H new ATOM 0 HB2 HIS A 8 18.400 -2.527 -12.464 1.00 21.31 H new ATOM 0 HB3 HIS A 8 17.989 -1.226 -13.565 1.00 21.31 H new ATOM 0 HD1 HIS A 8 19.173 -1.894 -10.048 1.00 31.34 H new ATOM 0 HD2 HIS A 8 18.511 1.384 -12.569 1.00 72.24 H new ATOM 0 HE1 HIS A 8 20.253 0.107 -8.928 1.00 53.41 H new ATOM 115 N ASP A 9 14.445 -0.966 -13.547 1.00 21.43 N ATOM 116 CA ASP A 9 13.479 -0.004 -14.127 1.00 33.40 C ATOM 117 C ASP A 9 12.585 0.584 -13.037 1.00 70.25 C ATOM 118 O ASP A 9 12.245 1.778 -13.070 1.00 23.34 O ATOM 119 CB ASP A 9 12.611 -0.702 -15.208 1.00 74.15 C ATOM 120 CG ASP A 9 11.661 0.269 -15.940 1.00 14.14 C ATOM 121 OD1 ASP A 9 12.137 1.010 -16.829 1.00 31.41 O ATOM 122 OD2 ASP A 9 10.446 0.294 -15.645 1.00 22.31 O ATOM 0 H ASP A 9 14.247 -1.935 -13.798 1.00 21.43 H new ATOM 0 HA ASP A 9 14.039 0.808 -14.592 1.00 33.40 H new ATOM 0 HB2 ASP A 9 13.265 -1.180 -15.937 1.00 74.15 H new ATOM 0 HB3 ASP A 9 12.024 -1.492 -14.740 1.00 74.15 H new ATOM 127 N ASN A 10 12.215 -0.255 -12.060 1.00 51.24 N ATOM 128 CA ASN A 10 11.427 0.197 -10.919 1.00 23.45 C ATOM 129 C ASN A 10 12.349 0.933 -9.926 1.00 64.02 C ATOM 130 O ASN A 10 13.404 0.425 -9.534 1.00 33.52 O ATOM 131 CB ASN A 10 10.667 -0.973 -10.222 1.00 74.44 C ATOM 132 CG ASN A 10 11.578 -2.080 -9.672 1.00 73.04 C ATOM 133 OD1 ASN A 10 11.871 -3.055 -10.364 1.00 43.32 O ATOM 134 ND2 ASN A 10 12.039 -1.930 -8.429 1.00 13.12 N ATOM 0 H ASN A 10 12.451 -1.247 -12.042 1.00 51.24 H new ATOM 0 HA ASN A 10 10.661 0.883 -11.282 1.00 23.45 H new ATOM 0 HB2 ASN A 10 10.073 -0.568 -9.403 1.00 74.44 H new ATOM 0 HB3 ASN A 10 9.970 -1.413 -10.935 1.00 74.44 H new ATOM 0 HD21 ASN A 10 12.654 -2.636 -8.025 1.00 13.12 H new ATOM 0 HD22 ASN A 10 11.776 -1.109 -7.883 1.00 13.12 H new ATOM 141 N VAL A 11 11.967 2.163 -9.597 1.00 44.04 N ATOM 142 CA VAL A 11 12.576 2.937 -8.520 1.00 50.23 C ATOM 143 C VAL A 11 11.851 2.604 -7.208 1.00 14.53 C ATOM 144 O VAL A 11 10.655 2.249 -7.201 1.00 54.24 O ATOM 145 CB VAL A 11 12.530 4.490 -8.796 1.00 53.10 C ATOM 146 CG1 VAL A 11 13.349 4.842 -10.063 1.00 35.02 C ATOM 147 CG2 VAL A 11 11.071 5.006 -8.913 1.00 4.11 C ATOM 0 H VAL A 11 11.215 2.657 -10.078 1.00 44.04 H new ATOM 0 HA VAL A 11 13.629 2.665 -8.453 1.00 50.23 H new ATOM 0 HB VAL A 11 12.984 4.994 -7.943 1.00 53.10 H new ATOM 0 HG11 VAL A 11 13.306 5.917 -10.237 1.00 35.02 H new ATOM 0 HG12 VAL A 11 14.386 4.539 -9.921 1.00 35.02 H new ATOM 0 HG13 VAL A 11 12.932 4.318 -10.923 1.00 35.02 H new ATOM 0 HG21 VAL A 11 11.079 6.079 -9.103 1.00 4.11 H new ATOM 0 HG22 VAL A 11 10.569 4.496 -9.735 1.00 4.11 H new ATOM 0 HG23 VAL A 11 10.539 4.806 -7.983 1.00 4.11 H new ATOM 157 N ILE A 12 12.616 2.687 -6.126 1.00 22.42 N ATOM 158 CA ILE A 12 12.175 2.400 -4.764 1.00 73.54 C ATOM 159 C ILE A 12 11.822 3.741 -4.101 1.00 24.50 C ATOM 160 O ILE A 12 12.721 4.454 -3.620 1.00 12.14 O ATOM 161 CB ILE A 12 13.324 1.670 -3.942 1.00 51.44 C ATOM 162 CG1 ILE A 12 14.001 0.529 -4.773 1.00 5.15 C ATOM 163 CG2 ILE A 12 12.819 1.137 -2.584 1.00 72.34 C ATOM 164 CD1 ILE A 12 13.088 -0.586 -5.228 1.00 64.33 C ATOM 0 H ILE A 12 13.596 2.966 -6.173 1.00 22.42 H new ATOM 0 HA ILE A 12 11.310 1.737 -4.781 1.00 73.54 H new ATOM 0 HB ILE A 12 14.082 2.425 -3.736 1.00 51.44 H new ATOM 0 HG12 ILE A 12 14.466 0.974 -5.653 1.00 5.15 H new ATOM 0 HG13 ILE A 12 14.802 0.095 -4.174 1.00 5.15 H new ATOM 0 HG21 ILE A 12 13.638 0.646 -2.058 1.00 72.34 H new ATOM 0 HG22 ILE A 12 12.447 1.967 -1.983 1.00 72.34 H new ATOM 0 HG23 ILE A 12 12.014 0.421 -2.751 1.00 72.34 H new ATOM 0 HD11 ILE A 12 13.663 -1.319 -5.794 1.00 64.33 H new ATOM 0 HD12 ILE A 12 12.641 -1.068 -4.359 1.00 64.33 H new ATOM 0 HD13 ILE A 12 12.300 -0.176 -5.860 1.00 64.33 H new ATOM 176 N LEU A 13 10.529 4.114 -4.108 1.00 15.12 N ATOM 177 CA LEU A 13 10.101 5.400 -3.535 1.00 25.45 C ATOM 178 C LEU A 13 9.871 5.223 -2.042 1.00 54.32 C ATOM 179 O LEU A 13 8.755 4.926 -1.612 1.00 62.21 O ATOM 180 CB LEU A 13 8.800 5.933 -4.202 1.00 42.02 C ATOM 181 CG LEU A 13 8.862 6.235 -5.723 1.00 52.02 C ATOM 182 CD1 LEU A 13 7.575 6.943 -6.185 1.00 1.43 C ATOM 183 CD2 LEU A 13 10.112 7.058 -6.089 1.00 31.20 C ATOM 0 H LEU A 13 9.773 3.551 -4.499 1.00 15.12 H new ATOM 0 HA LEU A 13 10.888 6.132 -3.720 1.00 25.45 H new ATOM 0 HB2 LEU A 13 8.009 5.202 -4.033 1.00 42.02 H new ATOM 0 HB3 LEU A 13 8.505 6.847 -3.687 1.00 42.02 H new ATOM 0 HG LEU A 13 8.939 5.284 -6.250 1.00 52.02 H new ATOM 0 HD11 LEU A 13 7.636 7.147 -7.254 1.00 1.43 H new ATOM 0 HD12 LEU A 13 6.716 6.302 -5.986 1.00 1.43 H new ATOM 0 HD13 LEU A 13 7.461 7.881 -5.642 1.00 1.43 H new ATOM 0 HD21 LEU A 13 10.120 7.249 -7.162 1.00 31.20 H new ATOM 0 HD22 LEU A 13 10.094 8.006 -5.551 1.00 31.20 H new ATOM 0 HD23 LEU A 13 11.008 6.502 -5.813 1.00 31.20 H new ATOM 195 N GLU A 14 10.950 5.406 -1.265 1.00 54.43 N ATOM 196 CA GLU A 14 10.930 5.196 0.182 1.00 53.54 C ATOM 197 C GLU A 14 10.492 6.500 0.840 1.00 41.10 C ATOM 198 O GLU A 14 11.259 7.464 0.923 1.00 71.31 O ATOM 199 CB GLU A 14 12.338 4.728 0.697 1.00 22.41 C ATOM 200 CG GLU A 14 12.375 4.106 2.128 1.00 53.35 C ATOM 201 CD GLU A 14 12.171 5.102 3.298 1.00 62.35 C ATOM 202 OE1 GLU A 14 13.167 5.696 3.780 1.00 23.31 O ATOM 203 OE2 GLU A 14 11.020 5.277 3.756 1.00 62.22 O ATOM 0 H GLU A 14 11.857 5.703 -1.626 1.00 54.43 H new ATOM 0 HA GLU A 14 10.227 4.405 0.442 1.00 53.54 H new ATOM 0 HB2 GLU A 14 12.734 3.995 -0.006 1.00 22.41 H new ATOM 0 HB3 GLU A 14 13.012 5.584 0.678 1.00 22.41 H new ATOM 0 HG2 GLU A 14 11.604 3.338 2.190 1.00 53.35 H new ATOM 0 HG3 GLU A 14 13.335 3.607 2.263 1.00 53.35 H new ATOM 210 N LEU A 15 9.228 6.525 1.256 1.00 64.34 N ATOM 211 CA LEU A 15 8.669 7.614 2.046 1.00 61.52 C ATOM 212 C LEU A 15 8.213 7.065 3.402 1.00 40.45 C ATOM 213 O LEU A 15 7.417 6.123 3.487 1.00 52.11 O ATOM 214 CB LEU A 15 7.554 8.370 1.250 1.00 23.44 C ATOM 215 CG LEU A 15 6.519 7.507 0.441 1.00 55.51 C ATOM 216 CD1 LEU A 15 5.382 6.959 1.321 1.00 13.31 C ATOM 217 CD2 LEU A 15 5.962 8.294 -0.754 1.00 2.22 C ATOM 0 H LEU A 15 8.559 5.783 1.051 1.00 64.34 H new ATOM 0 HA LEU A 15 9.429 8.369 2.247 1.00 61.52 H new ATOM 0 HB2 LEU A 15 6.997 8.986 1.956 1.00 23.44 H new ATOM 0 HB3 LEU A 15 8.043 9.049 0.551 1.00 23.44 H new ATOM 0 HG LEU A 15 7.063 6.641 0.063 1.00 55.51 H new ATOM 0 HD11 LEU A 15 4.699 6.371 0.708 1.00 13.31 H new ATOM 0 HD12 LEU A 15 5.801 6.328 2.105 1.00 13.31 H new ATOM 0 HD13 LEU A 15 4.840 7.789 1.774 1.00 13.31 H new ATOM 0 HD21 LEU A 15 5.248 7.674 -1.297 1.00 2.22 H new ATOM 0 HD22 LEU A 15 5.462 9.194 -0.396 1.00 2.22 H new ATOM 0 HD23 LEU A 15 6.780 8.573 -1.419 1.00 2.22 H new ATOM 229 N THR A 16 8.784 7.626 4.467 1.00 71.41 N ATOM 230 CA THR A 16 8.465 7.242 5.828 1.00 2.41 C ATOM 231 C THR A 16 7.290 8.089 6.284 1.00 74.13 C ATOM 232 O THR A 16 7.422 9.305 6.362 1.00 52.10 O ATOM 233 CB THR A 16 9.670 7.470 6.787 1.00 14.02 C ATOM 234 OG1 THR A 16 10.858 6.892 6.220 1.00 13.41 O ATOM 235 CG2 THR A 16 9.410 6.865 8.178 1.00 11.15 C ATOM 0 H THR A 16 9.485 8.364 4.402 1.00 71.41 H new ATOM 0 HA THR A 16 8.223 6.179 5.853 1.00 2.41 H new ATOM 0 HB THR A 16 9.803 8.545 6.909 1.00 14.02 H new ATOM 0 HG1 THR A 16 10.727 5.929 6.098 1.00 13.41 H new ATOM 0 HG21 THR A 16 10.273 7.044 8.820 1.00 11.15 H new ATOM 0 HG22 THR A 16 8.528 7.330 8.618 1.00 11.15 H new ATOM 0 HG23 THR A 16 9.245 5.792 8.083 1.00 11.15 H new ATOM 243 N VAL A 17 6.138 7.463 6.520 1.00 32.22 N ATOM 244 CA VAL A 17 4.955 8.148 7.038 1.00 40.01 C ATOM 245 C VAL A 17 4.818 7.855 8.534 1.00 43.32 C ATOM 246 O VAL A 17 5.230 6.800 9.006 1.00 24.12 O ATOM 247 CB VAL A 17 3.644 7.732 6.266 1.00 61.32 C ATOM 248 CG1 VAL A 17 3.894 7.717 4.736 1.00 25.24 C ATOM 249 CG2 VAL A 17 3.056 6.385 6.770 1.00 31.45 C ATOM 0 H VAL A 17 5.999 6.466 6.357 1.00 32.22 H new ATOM 0 HA VAL A 17 5.084 9.219 6.883 1.00 40.01 H new ATOM 0 HB VAL A 17 2.887 8.487 6.479 1.00 61.32 H new ATOM 0 HG11 VAL A 17 2.978 7.428 4.221 1.00 25.24 H new ATOM 0 HG12 VAL A 17 4.197 8.711 4.407 1.00 25.24 H new ATOM 0 HG13 VAL A 17 4.683 7.002 4.503 1.00 25.24 H new ATOM 0 HG21 VAL A 17 2.155 6.147 6.204 1.00 31.45 H new ATOM 0 HG22 VAL A 17 3.791 5.592 6.631 1.00 31.45 H new ATOM 0 HG23 VAL A 17 2.808 6.469 7.828 1.00 31.45 H new ATOM 259 N ARG A 18 4.271 8.811 9.271 1.00 21.21 N ATOM 260 CA ARG A 18 3.810 8.592 10.648 1.00 23.53 C ATOM 261 C ARG A 18 2.317 8.269 10.575 1.00 34.14 C ATOM 262 O ARG A 18 1.527 9.111 10.132 1.00 42.02 O ATOM 263 CB ARG A 18 4.126 9.819 11.551 1.00 72.43 C ATOM 264 CG ARG A 18 3.814 11.204 10.927 1.00 14.13 C ATOM 265 CD ARG A 18 4.172 12.370 11.864 1.00 75.32 C ATOM 266 NE ARG A 18 3.388 12.331 13.116 1.00 53.51 N ATOM 267 CZ ARG A 18 3.031 13.393 13.857 1.00 12.03 C ATOM 268 NH1 ARG A 18 3.364 14.632 13.497 1.00 75.33 N ATOM 269 NH2 ARG A 18 2.324 13.196 14.965 1.00 75.55 N ATOM 0 H ARG A 18 4.131 9.764 8.937 1.00 21.21 H new ATOM 0 HA ARG A 18 4.337 7.759 11.113 1.00 23.53 H new ATOM 0 HB2 ARG A 18 3.560 9.722 12.478 1.00 72.43 H new ATOM 0 HB3 ARG A 18 5.182 9.790 11.818 1.00 72.43 H new ATOM 0 HG2 ARG A 18 4.367 11.310 9.993 1.00 14.13 H new ATOM 0 HG3 ARG A 18 2.754 11.255 10.678 1.00 14.13 H new ATOM 0 HD2 ARG A 18 5.235 12.333 12.100 1.00 75.32 H new ATOM 0 HD3 ARG A 18 3.992 13.315 11.352 1.00 75.32 H new ATOM 0 HE ARG A 18 3.091 11.414 13.448 1.00 53.51 H new ATOM 0 HH11 ARG A 18 3.900 14.788 12.644 1.00 75.33 H new ATOM 0 HH12 ARG A 18 3.082 15.424 14.075 1.00 75.33 H new ATOM 0 HH21 ARG A 18 2.061 12.250 15.241 1.00 75.55 H new ATOM 0 HH22 ARG A 18 2.044 13.991 15.540 1.00 75.55 H new ATOM 283 N ASN A 19 1.970 7.025 10.978 1.00 25.53 N ATOM 284 CA ASN A 19 0.663 6.388 10.726 1.00 23.54 C ATOM 285 C ASN A 19 -0.506 7.222 11.281 1.00 51.14 C ATOM 286 O ASN A 19 -0.914 7.088 12.431 1.00 22.13 O ATOM 287 CB ASN A 19 0.636 4.930 11.277 1.00 61.12 C ATOM 288 CG ASN A 19 1.704 4.020 10.649 1.00 24.53 C ATOM 289 OD1 ASN A 19 2.809 4.468 10.327 1.00 54.14 O ATOM 290 ND2 ASN A 19 1.384 2.741 10.459 1.00 22.13 N ATOM 0 H ASN A 19 2.609 6.425 11.500 1.00 25.53 H new ATOM 0 HA ASN A 19 0.530 6.341 9.645 1.00 23.54 H new ATOM 0 HB2 ASN A 19 0.780 4.955 12.357 1.00 61.12 H new ATOM 0 HB3 ASN A 19 -0.349 4.500 11.097 1.00 61.12 H new ATOM 0 HD21 ASN A 19 2.060 2.103 10.038 1.00 22.13 H new ATOM 0 HD22 ASN A 19 0.463 2.399 10.735 1.00 22.13 H new ATOM 297 N HIS A 20 -0.960 8.142 10.443 1.00 23.11 N ATOM 298 CA HIS A 20 -2.126 9.004 10.674 1.00 12.14 C ATOM 299 C HIS A 20 -3.267 8.510 9.759 1.00 50.22 C ATOM 300 O HIS A 20 -2.973 8.032 8.658 1.00 13.31 O ATOM 301 CB HIS A 20 -1.724 10.472 10.339 1.00 12.04 C ATOM 302 CG HIS A 20 -2.775 11.504 10.630 1.00 75.02 C ATOM 303 ND1 HIS A 20 -2.922 12.102 11.862 1.00 11.13 N ATOM 304 CD2 HIS A 20 -3.736 12.044 9.841 1.00 51.20 C ATOM 305 CE1 HIS A 20 -3.923 12.950 11.815 1.00 24.35 C ATOM 306 NE2 HIS A 20 -4.433 12.938 10.603 1.00 32.05 N ATOM 0 H HIS A 20 -0.512 8.321 9.544 1.00 23.11 H new ATOM 0 HA HIS A 20 -2.462 8.967 11.710 1.00 12.14 H new ATOM 0 HB2 HIS A 20 -0.825 10.723 10.902 1.00 12.04 H new ATOM 0 HB3 HIS A 20 -1.465 10.529 9.282 1.00 12.04 H new ATOM 0 HD2 HIS A 20 -3.917 11.811 8.802 1.00 51.20 H new ATOM 0 HE1 HIS A 20 -4.271 13.558 12.637 1.00 24.35 H new ATOM 0 HE2 HIS A 20 -5.220 13.503 10.284 1.00 32.05 H new ATOM 315 N PRO A 21 -4.575 8.581 10.194 1.00 71.23 N ATOM 316 CA PRO A 21 -5.721 8.157 9.340 1.00 1.34 C ATOM 317 C PRO A 21 -5.733 8.863 7.968 1.00 3.23 C ATOM 318 O PRO A 21 -6.078 10.045 7.869 1.00 63.23 O ATOM 319 CB PRO A 21 -6.968 8.529 10.194 1.00 74.11 C ATOM 320 CG PRO A 21 -6.473 8.518 11.612 1.00 75.03 C ATOM 321 CD PRO A 21 -5.040 9.012 11.552 1.00 31.01 C ATOM 0 HA PRO A 21 -5.678 7.097 9.089 1.00 1.34 H new ATOM 0 HB2 PRO A 21 -7.359 9.508 9.918 1.00 74.11 H new ATOM 0 HB3 PRO A 21 -7.775 7.811 10.050 1.00 74.11 H new ATOM 0 HG2 PRO A 21 -7.083 9.163 12.244 1.00 75.03 H new ATOM 0 HG3 PRO A 21 -6.524 7.515 12.036 1.00 75.03 H new ATOM 0 HD2 PRO A 21 -4.984 10.094 11.670 1.00 31.01 H new ATOM 0 HD3 PRO A 21 -4.431 8.573 12.342 1.00 31.01 H new ATOM 329 N GLY A 22 -5.267 8.139 6.932 1.00 74.43 N ATOM 330 CA GLY A 22 -5.306 8.621 5.547 1.00 3.21 C ATOM 331 C GLY A 22 -3.943 8.719 4.869 1.00 20.43 C ATOM 332 O GLY A 22 -3.901 8.978 3.666 1.00 73.32 O ATOM 0 H GLY A 22 -4.857 7.211 7.035 1.00 74.43 H new ATOM 0 HA2 GLY A 22 -5.941 7.955 4.962 1.00 3.21 H new ATOM 0 HA3 GLY A 22 -5.776 9.604 5.532 1.00 3.21 H new ATOM 336 N VAL A 23 -2.828 8.504 5.615 1.00 31.51 N ATOM 337 CA VAL A 23 -1.443 8.598 5.054 1.00 1.41 C ATOM 338 C VAL A 23 -1.261 7.744 3.779 1.00 51.11 C ATOM 339 O VAL A 23 -0.700 8.207 2.781 1.00 5.44 O ATOM 340 CB VAL A 23 -0.331 8.211 6.113 1.00 4.14 C ATOM 341 CG1 VAL A 23 -0.245 9.250 7.235 1.00 1.52 C ATOM 342 CG2 VAL A 23 -0.551 6.797 6.708 1.00 53.51 C ATOM 0 H VAL A 23 -2.855 8.264 6.606 1.00 31.51 H new ATOM 0 HA VAL A 23 -1.315 9.647 4.788 1.00 1.41 H new ATOM 0 HB VAL A 23 0.617 8.199 5.575 1.00 4.14 H new ATOM 0 HG11 VAL A 23 0.527 8.955 7.945 1.00 1.52 H new ATOM 0 HG12 VAL A 23 0.004 10.223 6.812 1.00 1.52 H new ATOM 0 HG13 VAL A 23 -1.205 9.312 7.748 1.00 1.52 H new ATOM 0 HG21 VAL A 23 0.237 6.579 7.428 1.00 53.51 H new ATOM 0 HG22 VAL A 23 -1.519 6.759 7.207 1.00 53.51 H new ATOM 0 HG23 VAL A 23 -0.526 6.058 5.908 1.00 53.51 H new ATOM 352 N MET A 24 -1.791 6.518 3.835 1.00 23.25 N ATOM 353 CA MET A 24 -1.757 5.553 2.733 1.00 43.15 C ATOM 354 C MET A 24 -2.551 6.060 1.505 1.00 52.45 C ATOM 355 O MET A 24 -2.138 5.850 0.369 1.00 54.15 O ATOM 356 CB MET A 24 -2.300 4.194 3.237 1.00 12.14 C ATOM 357 CG MET A 24 -3.685 4.261 3.889 1.00 54.30 C ATOM 358 SD MET A 24 -4.231 2.668 4.516 1.00 31.34 S ATOM 359 CE MET A 24 -5.822 3.112 5.196 1.00 11.23 C ATOM 0 H MET A 24 -2.265 6.162 4.665 1.00 23.25 H new ATOM 0 HA MET A 24 -0.726 5.427 2.403 1.00 43.15 H new ATOM 0 HB2 MET A 24 -2.342 3.501 2.397 1.00 12.14 H new ATOM 0 HB3 MET A 24 -1.594 3.780 3.957 1.00 12.14 H new ATOM 0 HG2 MET A 24 -3.663 4.981 4.707 1.00 54.30 H new ATOM 0 HG3 MET A 24 -4.408 4.628 3.161 1.00 54.30 H new ATOM 0 HE1 MET A 24 -6.141 2.348 5.905 1.00 11.23 H new ATOM 0 HE2 MET A 24 -5.744 4.071 5.707 1.00 11.23 H new ATOM 0 HE3 MET A 24 -6.553 3.188 4.391 1.00 11.23 H new ATOM 369 N THR A 25 -3.672 6.757 1.754 1.00 32.11 N ATOM 370 CA THR A 25 -4.541 7.294 0.692 1.00 23.12 C ATOM 371 C THR A 25 -3.858 8.481 -0.019 1.00 14.33 C ATOM 372 O THR A 25 -4.000 8.657 -1.237 1.00 33.01 O ATOM 373 CB THR A 25 -5.920 7.727 1.291 1.00 61.04 C ATOM 374 OG1 THR A 25 -6.346 6.744 2.252 1.00 11.52 O ATOM 375 CG2 THR A 25 -7.010 7.877 0.209 1.00 22.55 C ATOM 0 H THR A 25 -4.002 6.964 2.697 1.00 32.11 H new ATOM 0 HA THR A 25 -4.714 6.511 -0.046 1.00 23.12 H new ATOM 0 HB THR A 25 -5.783 8.701 1.761 1.00 61.04 H new ATOM 0 HG1 THR A 25 -7.209 7.011 2.632 1.00 11.52 H new ATOM 0 HG21 THR A 25 -7.947 8.179 0.676 1.00 22.55 H new ATOM 0 HG22 THR A 25 -6.704 8.634 -0.513 1.00 22.55 H new ATOM 0 HG23 THR A 25 -7.149 6.924 -0.302 1.00 22.55 H new ATOM 383 N HIS A 26 -3.092 9.265 0.773 1.00 1.25 N ATOM 384 CA HIS A 26 -2.326 10.426 0.283 1.00 5.24 C ATOM 385 C HIS A 26 -1.247 9.969 -0.721 1.00 11.32 C ATOM 386 O HIS A 26 -1.216 10.449 -1.864 1.00 64.31 O ATOM 387 CB HIS A 26 -1.692 11.213 1.477 1.00 71.50 C ATOM 388 CG HIS A 26 -2.675 12.022 2.308 1.00 25.04 C ATOM 389 ND1 HIS A 26 -2.360 13.240 2.878 1.00 13.45 N ATOM 390 CD2 HIS A 26 -3.964 11.782 2.666 1.00 50.13 C ATOM 391 CE1 HIS A 26 -3.406 13.704 3.530 1.00 70.11 C ATOM 392 NE2 HIS A 26 -4.385 12.841 3.416 1.00 60.00 N ATOM 0 H HIS A 26 -2.990 9.106 1.775 1.00 1.25 H new ATOM 0 HA HIS A 26 -3.007 11.101 -0.235 1.00 5.24 H new ATOM 0 HB2 HIS A 26 -1.184 10.504 2.131 1.00 71.50 H new ATOM 0 HB3 HIS A 26 -0.930 11.887 1.085 1.00 71.50 H new ATOM 0 HD2 HIS A 26 -4.548 10.912 2.405 1.00 50.13 H new ATOM 0 HE1 HIS A 26 -3.449 14.639 4.068 1.00 70.11 H new ATOM 0 HE2 HIS A 26 -5.314 12.944 3.823 1.00 60.00 H new ATOM 401 N VAL A 27 -0.420 8.979 -0.311 1.00 4.32 N ATOM 402 CA VAL A 27 0.717 8.495 -1.129 1.00 13.05 C ATOM 403 C VAL A 27 0.220 7.873 -2.457 1.00 33.13 C ATOM 404 O VAL A 27 0.685 8.247 -3.562 1.00 42.22 O ATOM 405 CB VAL A 27 1.658 7.511 -0.305 1.00 31.05 C ATOM 406 CG1 VAL A 27 2.055 8.159 1.047 1.00 54.41 C ATOM 407 CG2 VAL A 27 1.039 6.114 -0.067 1.00 62.21 C ATOM 0 H VAL A 27 -0.519 8.499 0.583 1.00 4.32 H new ATOM 0 HA VAL A 27 1.333 9.355 -1.392 1.00 13.05 H new ATOM 0 HB VAL A 27 2.545 7.351 -0.918 1.00 31.05 H new ATOM 0 HG11 VAL A 27 2.699 7.477 1.602 1.00 54.41 H new ATOM 0 HG12 VAL A 27 2.589 9.091 0.861 1.00 54.41 H new ATOM 0 HG13 VAL A 27 1.157 8.365 1.629 1.00 54.41 H new ATOM 0 HG21 VAL A 27 1.737 5.499 0.501 1.00 62.21 H new ATOM 0 HG22 VAL A 27 0.109 6.218 0.493 1.00 62.21 H new ATOM 0 HG23 VAL A 27 0.834 5.639 -1.026 1.00 62.21 H new ATOM 417 N CYS A 28 -0.810 7.020 -2.332 1.00 50.41 N ATOM 418 CA CYS A 28 -1.456 6.354 -3.460 1.00 33.14 C ATOM 419 C CYS A 28 -2.099 7.378 -4.419 1.00 31.31 C ATOM 420 O CYS A 28 -2.163 7.142 -5.623 1.00 33.02 O ATOM 421 CB CYS A 28 -2.501 5.361 -2.926 1.00 11.11 C ATOM 422 SG CYS A 28 -1.797 4.005 -1.957 1.00 53.55 S ATOM 0 H CYS A 28 -1.218 6.775 -1.430 1.00 50.41 H new ATOM 0 HA CYS A 28 -0.705 5.810 -4.032 1.00 33.14 H new ATOM 0 HB2 CYS A 28 -3.219 5.901 -2.309 1.00 11.11 H new ATOM 0 HB3 CYS A 28 -3.055 4.944 -3.767 1.00 11.11 H new ATOM 0 HG CYS A 28 -1.762 4.341 -0.702 1.00 53.55 H new ATOM 428 N GLY A 29 -2.541 8.523 -3.861 1.00 32.51 N ATOM 429 CA GLY A 29 -3.120 9.608 -4.643 1.00 41.23 C ATOM 430 C GLY A 29 -2.133 10.203 -5.645 1.00 12.21 C ATOM 431 O GLY A 29 -2.447 10.306 -6.837 1.00 11.15 O ATOM 0 H GLY A 29 -2.502 8.711 -2.859 1.00 32.51 H new ATOM 0 HA2 GLY A 29 -3.996 9.239 -5.177 1.00 41.23 H new ATOM 0 HA3 GLY A 29 -3.465 10.392 -3.969 1.00 41.23 H new ATOM 435 N LEU A 30 -0.915 10.539 -5.160 1.00 13.21 N ATOM 436 CA LEU A 30 0.121 11.203 -5.988 1.00 52.04 C ATOM 437 C LEU A 30 0.639 10.303 -7.127 1.00 1.14 C ATOM 438 O LEU A 30 0.884 10.787 -8.231 1.00 2.25 O ATOM 439 CB LEU A 30 1.312 11.728 -5.126 1.00 43.44 C ATOM 440 CG LEU A 30 1.072 13.072 -4.353 1.00 15.22 C ATOM 441 CD1 LEU A 30 0.601 14.204 -5.297 1.00 44.32 C ATOM 442 CD2 LEU A 30 0.101 12.902 -3.171 1.00 75.23 C ATOM 0 H LEU A 30 -0.625 10.361 -4.198 1.00 13.21 H new ATOM 0 HA LEU A 30 -0.373 12.060 -6.446 1.00 52.04 H new ATOM 0 HB2 LEU A 30 1.574 10.958 -4.400 1.00 43.44 H new ATOM 0 HB3 LEU A 30 2.175 11.858 -5.779 1.00 43.44 H new ATOM 0 HG LEU A 30 2.038 13.363 -3.940 1.00 15.22 H new ATOM 0 HD11 LEU A 30 0.446 15.117 -4.722 1.00 44.32 H new ATOM 0 HD12 LEU A 30 1.359 14.380 -6.060 1.00 44.32 H new ATOM 0 HD13 LEU A 30 -0.335 13.914 -5.775 1.00 44.32 H new ATOM 0 HD21 LEU A 30 -0.032 13.860 -2.669 1.00 75.23 H new ATOM 0 HD22 LEU A 30 -0.862 12.549 -3.539 1.00 75.23 H new ATOM 0 HD23 LEU A 30 0.508 12.177 -2.467 1.00 75.23 H new ATOM 454 N PHE A 31 0.813 9.008 -6.857 1.00 52.54 N ATOM 455 CA PHE A 31 1.391 8.069 -7.861 1.00 40.34 C ATOM 456 C PHE A 31 0.340 7.604 -8.891 1.00 3.03 C ATOM 457 O PHE A 31 0.689 7.282 -10.037 1.00 31.43 O ATOM 458 CB PHE A 31 2.090 6.897 -7.134 1.00 35.13 C ATOM 459 CG PHE A 31 3.073 7.389 -6.063 1.00 71.11 C ATOM 460 CD1 PHE A 31 3.940 8.460 -6.328 1.00 43.30 C ATOM 461 CD2 PHE A 31 3.084 6.844 -4.784 1.00 70.34 C ATOM 462 CE1 PHE A 31 4.786 8.947 -5.359 1.00 23.44 C ATOM 463 CE2 PHE A 31 3.932 7.343 -3.813 1.00 75.02 C ATOM 464 CZ PHE A 31 4.779 8.392 -4.102 1.00 52.21 C ATOM 0 H PHE A 31 0.570 8.575 -5.966 1.00 52.54 H new ATOM 0 HA PHE A 31 2.146 8.595 -8.444 1.00 40.34 H new ATOM 0 HB2 PHE A 31 1.338 6.258 -6.670 1.00 35.13 H new ATOM 0 HB3 PHE A 31 2.623 6.285 -7.862 1.00 35.13 H new ATOM 0 HD1 PHE A 31 3.943 8.910 -7.310 1.00 43.30 H new ATOM 0 HD2 PHE A 31 2.424 6.023 -4.547 1.00 70.34 H new ATOM 0 HE1 PHE A 31 5.455 9.764 -5.586 1.00 23.44 H new ATOM 0 HE2 PHE A 31 3.931 6.909 -2.824 1.00 75.02 H new ATOM 0 HZ PHE A 31 5.438 8.778 -3.339 1.00 52.21 H new ATOM 474 N ALA A 32 -0.941 7.585 -8.474 1.00 43.41 N ATOM 475 CA ALA A 32 -2.072 7.210 -9.350 1.00 32.43 C ATOM 476 C ALA A 32 -2.366 8.302 -10.387 1.00 41.43 C ATOM 477 O ALA A 32 -2.590 8.007 -11.566 1.00 44.24 O ATOM 478 CB ALA A 32 -3.327 6.941 -8.512 1.00 32.41 C ATOM 0 H ALA A 32 -1.222 7.828 -7.524 1.00 43.41 H new ATOM 0 HA ALA A 32 -1.790 6.302 -9.883 1.00 32.43 H new ATOM 0 HB1 ALA A 32 -4.152 6.666 -9.170 1.00 32.41 H new ATOM 0 HB2 ALA A 32 -3.131 6.126 -7.815 1.00 32.41 H new ATOM 0 HB3 ALA A 32 -3.592 7.839 -7.954 1.00 32.41 H new ATOM 484 N ARG A 33 -2.334 9.569 -9.927 1.00 22.40 N ATOM 485 CA ARG A 33 -2.751 10.741 -10.735 1.00 31.21 C ATOM 486 C ARG A 33 -1.747 11.071 -11.861 1.00 71.21 C ATOM 487 O ARG A 33 -2.014 11.957 -12.675 1.00 63.43 O ATOM 488 CB ARG A 33 -2.931 11.978 -9.822 1.00 1.12 C ATOM 489 CG ARG A 33 -1.617 12.492 -9.208 1.00 55.41 C ATOM 490 CD ARG A 33 -1.812 13.674 -8.254 1.00 63.35 C ATOM 491 NE ARG A 33 -2.337 14.870 -8.948 1.00 4.52 N ATOM 492 CZ ARG A 33 -1.724 16.061 -9.012 1.00 42.11 C ATOM 493 NH1 ARG A 33 -0.540 16.258 -8.426 1.00 71.34 N ATOM 494 NH2 ARG A 33 -2.303 17.056 -9.663 1.00 52.33 N ATOM 0 H ARG A 33 -2.020 9.812 -8.988 1.00 22.40 H new ATOM 0 HA ARG A 33 -3.699 10.482 -11.207 1.00 31.21 H new ATOM 0 HB2 ARG A 33 -3.390 12.781 -10.399 1.00 1.12 H new ATOM 0 HB3 ARG A 33 -3.623 11.727 -9.018 1.00 1.12 H new ATOM 0 HG2 ARG A 33 -1.133 11.677 -8.670 1.00 55.41 H new ATOM 0 HG3 ARG A 33 -0.942 12.790 -10.010 1.00 55.41 H new ATOM 0 HD2 ARG A 33 -2.499 13.387 -7.458 1.00 63.35 H new ATOM 0 HD3 ARG A 33 -0.861 13.918 -7.781 1.00 63.35 H new ATOM 0 HE ARG A 33 -3.239 14.782 -9.416 1.00 4.52 H new ATOM 0 HH11 ARG A 33 -0.088 15.496 -7.920 1.00 71.34 H new ATOM 0 HH12 ARG A 33 -0.088 17.170 -8.484 1.00 71.34 H new ATOM 0 HH21 ARG A 33 -3.208 16.914 -10.111 1.00 52.33 H new ATOM 0 HH22 ARG A 33 -1.844 17.965 -9.717 1.00 52.33 H new ATOM 508 N ARG A 34 -0.591 10.385 -11.873 1.00 13.11 N ATOM 509 CA ARG A 34 0.431 10.553 -12.902 1.00 23.22 C ATOM 510 C ARG A 34 -0.115 10.095 -14.264 1.00 73.02 C ATOM 511 O ARG A 34 -0.479 10.928 -15.107 1.00 40.12 O ATOM 512 CB ARG A 34 1.686 9.733 -12.501 1.00 63.13 C ATOM 513 CG ARG A 34 2.830 9.733 -13.534 1.00 13.41 C ATOM 514 CD ARG A 34 3.998 8.856 -13.090 1.00 73.02 C ATOM 515 NE ARG A 34 3.592 7.473 -12.754 1.00 25.34 N ATOM 516 CZ ARG A 34 4.387 6.398 -12.839 1.00 71.40 C ATOM 517 NH1 ARG A 34 5.645 6.513 -13.250 1.00 43.12 N ATOM 518 NH2 ARG A 34 3.911 5.207 -12.517 1.00 72.24 N ATOM 0 H ARG A 34 -0.345 9.696 -11.162 1.00 13.11 H new ATOM 0 HA ARG A 34 0.706 11.604 -12.988 1.00 23.22 H new ATOM 0 HB2 ARG A 34 2.069 10.124 -11.559 1.00 63.13 H new ATOM 0 HB3 ARG A 34 1.383 8.702 -12.319 1.00 63.13 H new ATOM 0 HG2 ARG A 34 2.453 9.377 -14.493 1.00 13.41 H new ATOM 0 HG3 ARG A 34 3.180 10.754 -13.688 1.00 13.41 H new ATOM 0 HD2 ARG A 34 4.744 8.826 -13.884 1.00 73.02 H new ATOM 0 HD3 ARG A 34 4.475 9.309 -12.221 1.00 73.02 H new ATOM 0 HE ARG A 34 2.635 7.327 -12.434 1.00 25.34 H new ATOM 0 HH11 ARG A 34 6.016 7.428 -13.505 1.00 43.12 H new ATOM 0 HH12 ARG A 34 6.239 5.686 -13.310 1.00 43.12 H new ATOM 0 HH21 ARG A 34 2.944 5.111 -12.206 1.00 72.24 H new ATOM 0 HH22 ARG A 34 4.511 4.384 -12.579 1.00 72.24 H new ATOM 532 N ALA A 35 -0.200 8.760 -14.425 1.00 55.42 N ATOM 533 CA ALA A 35 -0.561 8.102 -15.689 1.00 3.03 C ATOM 534 C ALA A 35 -0.473 6.587 -15.506 1.00 23.25 C ATOM 535 O ALA A 35 -1.442 5.855 -15.716 1.00 12.33 O ATOM 536 CB ALA A 35 0.364 8.557 -16.844 1.00 20.03 C ATOM 0 H ALA A 35 -0.017 8.102 -13.668 1.00 55.42 H new ATOM 0 HA ALA A 35 -1.580 8.384 -15.953 1.00 3.03 H new ATOM 0 HB1 ALA A 35 0.071 8.053 -17.765 1.00 20.03 H new ATOM 0 HB2 ALA A 35 0.276 9.635 -16.977 1.00 20.03 H new ATOM 0 HB3 ALA A 35 1.397 8.304 -16.604 1.00 20.03 H new ATOM 542 N PHE A 36 0.723 6.145 -15.087 1.00 72.04 N ATOM 543 CA PHE A 36 1.077 4.720 -14.984 1.00 61.32 C ATOM 544 C PHE A 36 0.863 4.216 -13.542 1.00 50.33 C ATOM 545 O PHE A 36 0.924 4.999 -12.578 1.00 13.41 O ATOM 546 CB PHE A 36 2.551 4.520 -15.428 1.00 64.12 C ATOM 547 CG PHE A 36 3.028 3.059 -15.458 1.00 51.35 C ATOM 548 CD1 PHE A 36 2.525 2.160 -16.400 1.00 51.41 C ATOM 549 CD2 PHE A 36 3.957 2.580 -14.532 1.00 74.41 C ATOM 550 CE1 PHE A 36 2.944 0.839 -16.416 1.00 44.13 C ATOM 551 CE2 PHE A 36 4.370 1.260 -14.548 1.00 52.43 C ATOM 552 CZ PHE A 36 3.865 0.390 -15.489 1.00 72.15 C ATOM 0 H PHE A 36 1.478 6.771 -14.808 1.00 72.04 H new ATOM 0 HA PHE A 36 0.430 4.139 -15.641 1.00 61.32 H new ATOM 0 HB2 PHE A 36 2.676 4.948 -16.423 1.00 64.12 H new ATOM 0 HB3 PHE A 36 3.197 5.084 -14.755 1.00 64.12 H new ATOM 0 HD1 PHE A 36 1.800 2.498 -17.126 1.00 51.41 H new ATOM 0 HD2 PHE A 36 4.360 3.253 -13.790 1.00 74.41 H new ATOM 0 HE1 PHE A 36 2.549 0.158 -17.156 1.00 44.13 H new ATOM 0 HE2 PHE A 36 5.089 0.911 -13.822 1.00 52.43 H new ATOM 0 HZ PHE A 36 4.188 -0.640 -15.502 1.00 72.15 H new ATOM 562 N ASN A 37 0.661 2.899 -13.424 1.00 33.23 N ATOM 563 CA ASN A 37 0.378 2.197 -12.159 1.00 24.03 C ATOM 564 C ASN A 37 1.641 2.047 -11.288 1.00 62.00 C ATOM 565 O ASN A 37 2.747 2.407 -11.695 1.00 72.11 O ATOM 566 CB ASN A 37 -0.186 0.780 -12.479 1.00 22.43 C ATOM 567 CG ASN A 37 -1.436 0.814 -13.351 1.00 24.53 C ATOM 568 OD1 ASN A 37 -2.254 1.720 -13.248 1.00 74.33 O ATOM 569 ND2 ASN A 37 -1.580 -0.159 -14.232 1.00 21.11 N ATOM 0 H ASN A 37 0.690 2.271 -14.227 1.00 33.23 H new ATOM 0 HA ASN A 37 -0.348 2.790 -11.602 1.00 24.03 H new ATOM 0 HB2 ASN A 37 0.584 0.195 -12.982 1.00 22.43 H new ATOM 0 HB3 ASN A 37 -0.416 0.268 -11.545 1.00 22.43 H new ATOM 0 HD21 ASN A 37 -2.390 -0.170 -14.851 1.00 21.11 H new ATOM 0 HD22 ASN A 37 -0.881 -0.899 -14.293 1.00 21.11 H new ATOM 576 N VAL A 38 1.437 1.529 -10.075 1.00 63.05 N ATOM 577 CA VAL A 38 2.510 0.981 -9.237 1.00 14.30 C ATOM 578 C VAL A 38 2.484 -0.545 -9.408 1.00 53.21 C ATOM 579 O VAL A 38 1.398 -1.143 -9.425 1.00 50.21 O ATOM 580 CB VAL A 38 2.330 1.367 -7.719 1.00 51.13 C ATOM 581 CG1 VAL A 38 3.431 0.741 -6.836 1.00 0.43 C ATOM 582 CG2 VAL A 38 2.306 2.900 -7.541 1.00 1.33 C ATOM 0 H VAL A 38 0.515 1.477 -9.641 1.00 63.05 H new ATOM 0 HA VAL A 38 3.468 1.398 -9.549 1.00 14.30 H new ATOM 0 HB VAL A 38 1.372 0.962 -7.394 1.00 51.13 H new ATOM 0 HG11 VAL A 38 3.272 1.030 -5.797 1.00 0.43 H new ATOM 0 HG12 VAL A 38 3.392 -0.345 -6.920 1.00 0.43 H new ATOM 0 HG13 VAL A 38 4.407 1.095 -7.166 1.00 0.43 H new ATOM 0 HG21 VAL A 38 2.181 3.142 -6.486 1.00 1.33 H new ATOM 0 HG22 VAL A 38 3.244 3.323 -7.901 1.00 1.33 H new ATOM 0 HG23 VAL A 38 1.476 3.319 -8.110 1.00 1.33 H new ATOM 592 N GLU A 39 3.667 -1.157 -9.565 1.00 41.43 N ATOM 593 CA GLU A 39 3.796 -2.611 -9.745 1.00 2.14 C ATOM 594 C GLU A 39 3.484 -3.313 -8.411 1.00 45.21 C ATOM 595 O GLU A 39 2.572 -4.141 -8.327 1.00 12.41 O ATOM 596 CB GLU A 39 5.235 -2.948 -10.241 1.00 35.25 C ATOM 597 CG GLU A 39 5.462 -4.414 -10.665 1.00 24.43 C ATOM 598 CD GLU A 39 4.582 -4.839 -11.858 1.00 14.44 C ATOM 599 OE1 GLU A 39 4.791 -4.302 -12.978 1.00 33.23 O ATOM 600 OE2 GLU A 39 3.704 -5.715 -11.689 1.00 12.51 O ATOM 0 H GLU A 39 4.558 -0.661 -9.571 1.00 41.43 H new ATOM 0 HA GLU A 39 3.089 -2.965 -10.495 1.00 2.14 H new ATOM 0 HB2 GLU A 39 5.470 -2.302 -11.087 1.00 35.25 H new ATOM 0 HB3 GLU A 39 5.941 -2.703 -9.448 1.00 35.25 H new ATOM 0 HG2 GLU A 39 6.511 -4.553 -10.927 1.00 24.43 H new ATOM 0 HG3 GLU A 39 5.256 -5.068 -9.817 1.00 24.43 H new ATOM 607 N GLY A 40 4.209 -2.898 -7.355 1.00 3.02 N ATOM 608 CA GLY A 40 4.068 -3.488 -6.021 1.00 23.14 C ATOM 609 C GLY A 40 4.174 -2.441 -4.932 1.00 13.14 C ATOM 610 O GLY A 40 4.866 -1.443 -5.105 1.00 14.24 O ATOM 0 H GLY A 40 4.901 -2.151 -7.407 1.00 3.02 H new ATOM 0 HA2 GLY A 40 3.106 -3.994 -5.947 1.00 23.14 H new ATOM 0 HA3 GLY A 40 4.838 -4.245 -5.874 1.00 23.14 H new ATOM 614 N ILE A 41 3.493 -2.662 -3.802 1.00 63.10 N ATOM 615 CA ILE A 41 3.479 -1.717 -2.657 1.00 14.11 C ATOM 616 C ILE A 41 3.985 -2.457 -1.422 1.00 4.23 C ATOM 617 O ILE A 41 3.593 -3.608 -1.196 1.00 73.32 O ATOM 618 CB ILE A 41 2.025 -1.167 -2.380 1.00 22.12 C ATOM 619 CG1 ILE A 41 1.436 -0.495 -3.661 1.00 40.32 C ATOM 620 CG2 ILE A 41 2.000 -0.193 -1.172 1.00 44.10 C ATOM 621 CD1 ILE A 41 -0.023 -0.093 -3.548 1.00 31.02 C ATOM 0 H ILE A 41 2.932 -3.500 -3.646 1.00 63.10 H new ATOM 0 HA ILE A 41 4.118 -0.866 -2.892 1.00 14.11 H new ATOM 0 HB ILE A 41 1.393 -2.016 -2.120 1.00 22.12 H new ATOM 0 HG12 ILE A 41 2.026 0.391 -3.895 1.00 40.32 H new ATOM 0 HG13 ILE A 41 1.546 -1.182 -4.500 1.00 40.32 H new ATOM 0 HG21 ILE A 41 0.982 0.164 -1.013 1.00 44.10 H new ATOM 0 HG22 ILE A 41 2.346 -0.713 -0.278 1.00 44.10 H new ATOM 0 HG23 ILE A 41 2.654 0.655 -1.375 1.00 44.10 H new ATOM 0 HD11 ILE A 41 -0.348 0.365 -4.482 1.00 31.02 H new ATOM 0 HD12 ILE A 41 -0.629 -0.976 -3.347 1.00 31.02 H new ATOM 0 HD13 ILE A 41 -0.142 0.621 -2.733 1.00 31.02 H new ATOM 633 N LEU A 42 4.840 -1.808 -0.625 1.00 74.21 N ATOM 634 CA LEU A 42 5.386 -2.424 0.586 1.00 22.34 C ATOM 635 C LEU A 42 5.576 -1.376 1.699 1.00 61.22 C ATOM 636 O LEU A 42 6.511 -0.573 1.673 1.00 60.11 O ATOM 637 CB LEU A 42 6.699 -3.167 0.222 1.00 14.01 C ATOM 638 CG LEU A 42 7.509 -3.827 1.387 1.00 73.40 C ATOM 639 CD1 LEU A 42 6.624 -4.573 2.402 1.00 3.40 C ATOM 640 CD2 LEU A 42 8.595 -4.747 0.803 1.00 23.02 C ATOM 0 H LEU A 42 5.168 -0.858 -0.797 1.00 74.21 H new ATOM 0 HA LEU A 42 4.684 -3.156 0.985 1.00 22.34 H new ATOM 0 HB2 LEU A 42 6.454 -3.946 -0.500 1.00 14.01 H new ATOM 0 HB3 LEU A 42 7.356 -2.459 -0.284 1.00 14.01 H new ATOM 0 HG LEU A 42 7.979 -3.023 1.953 1.00 73.40 H new ATOM 0 HD11 LEU A 42 7.250 -5.006 3.182 1.00 3.40 H new ATOM 0 HD12 LEU A 42 5.917 -3.875 2.850 1.00 3.40 H new ATOM 0 HD13 LEU A 42 6.077 -5.367 1.893 1.00 3.40 H new ATOM 0 HD21 LEU A 42 9.158 -5.206 1.615 1.00 23.02 H new ATOM 0 HD22 LEU A 42 8.127 -5.526 0.201 1.00 23.02 H new ATOM 0 HD23 LEU A 42 9.270 -4.162 0.178 1.00 23.02 H new ATOM 652 N CYS A 43 4.638 -1.404 2.657 1.00 44.24 N ATOM 653 CA CYS A 43 4.677 -0.615 3.889 1.00 50.45 C ATOM 654 C CYS A 43 5.123 -1.509 5.044 1.00 35.00 C ATOM 655 O CYS A 43 4.340 -2.350 5.523 1.00 42.22 O ATOM 656 CB CYS A 43 3.288 -0.037 4.200 1.00 72.33 C ATOM 657 SG CYS A 43 3.180 0.872 5.761 1.00 41.23 S ATOM 0 H CYS A 43 3.809 -1.994 2.591 1.00 44.24 H new ATOM 0 HA CYS A 43 5.380 0.208 3.760 1.00 50.45 H new ATOM 0 HB2 CYS A 43 2.996 0.628 3.387 1.00 72.33 H new ATOM 0 HB3 CYS A 43 2.566 -0.853 4.220 1.00 72.33 H new ATOM 0 HG CYS A 43 1.969 1.316 5.922 1.00 41.23 H new ATOM 663 N LEU A 44 6.385 -1.351 5.448 1.00 64.23 N ATOM 664 CA LEU A 44 6.957 -2.028 6.609 1.00 61.43 C ATOM 665 C LEU A 44 6.822 -1.098 7.837 1.00 22.53 C ATOM 666 O LEU A 44 7.492 -0.055 7.875 1.00 3.25 O ATOM 667 CB LEU A 44 8.448 -2.361 6.347 1.00 12.14 C ATOM 668 CG LEU A 44 9.177 -3.170 7.469 1.00 5.33 C ATOM 669 CD1 LEU A 44 8.588 -4.591 7.604 1.00 55.40 C ATOM 670 CD2 LEU A 44 10.699 -3.205 7.226 1.00 35.42 C ATOM 0 H LEU A 44 7.046 -0.740 4.969 1.00 64.23 H new ATOM 0 HA LEU A 44 6.426 -2.962 6.795 1.00 61.43 H new ATOM 0 HB2 LEU A 44 8.516 -2.926 5.417 1.00 12.14 H new ATOM 0 HB3 LEU A 44 8.987 -1.426 6.192 1.00 12.14 H new ATOM 0 HG LEU A 44 9.009 -2.658 8.417 1.00 5.33 H new ATOM 0 HD11 LEU A 44 9.115 -5.130 8.392 1.00 55.40 H new ATOM 0 HD12 LEU A 44 7.530 -4.524 7.856 1.00 55.40 H new ATOM 0 HD13 LEU A 44 8.703 -5.124 6.660 1.00 55.40 H new ATOM 0 HD21 LEU A 44 11.181 -3.774 8.021 1.00 35.42 H new ATOM 0 HD22 LEU A 44 10.903 -3.678 6.266 1.00 35.42 H new ATOM 0 HD23 LEU A 44 11.090 -2.188 7.219 1.00 35.42 H new ATOM 682 N PRO A 45 5.938 -1.431 8.835 1.00 3.43 N ATOM 683 CA PRO A 45 5.800 -0.620 10.070 1.00 3.45 C ATOM 684 C PRO A 45 7.044 -0.744 10.966 1.00 62.11 C ATOM 685 O PRO A 45 7.696 -1.779 10.976 1.00 31.20 O ATOM 686 CB PRO A 45 4.542 -1.210 10.757 1.00 51.32 C ATOM 687 CG PRO A 45 4.454 -2.625 10.257 1.00 64.15 C ATOM 688 CD PRO A 45 5.007 -2.599 8.841 1.00 43.54 C ATOM 0 HA PRO A 45 5.705 0.446 9.865 1.00 3.45 H new ATOM 0 HB2 PRO A 45 4.634 -1.180 11.843 1.00 51.32 H new ATOM 0 HB3 PRO A 45 3.648 -0.643 10.497 1.00 51.32 H new ATOM 0 HG2 PRO A 45 5.031 -3.300 10.890 1.00 64.15 H new ATOM 0 HG3 PRO A 45 3.424 -2.980 10.268 1.00 64.15 H new ATOM 0 HD2 PRO A 45 5.528 -3.525 8.599 1.00 43.54 H new ATOM 0 HD3 PRO A 45 4.212 -2.479 8.105 1.00 43.54 H new ATOM 696 N ILE A 46 7.370 0.330 11.687 1.00 15.14 N ATOM 697 CA ILE A 46 8.478 0.356 12.659 1.00 62.20 C ATOM 698 C ILE A 46 7.876 0.225 14.072 1.00 51.30 C ATOM 699 O ILE A 46 6.979 0.986 14.433 1.00 64.12 O ATOM 700 CB ILE A 46 9.363 1.674 12.523 1.00 10.30 C ATOM 701 CG1 ILE A 46 10.201 1.681 11.195 1.00 11.41 C ATOM 702 CG2 ILE A 46 10.294 1.878 13.740 1.00 25.02 C ATOM 703 CD1 ILE A 46 9.401 1.871 9.920 1.00 34.11 C ATOM 0 H ILE A 46 6.871 1.217 11.616 1.00 15.14 H new ATOM 0 HA ILE A 46 9.153 -0.477 12.461 1.00 62.20 H new ATOM 0 HB ILE A 46 8.662 2.508 12.490 1.00 10.30 H new ATOM 0 HG12 ILE A 46 10.944 2.476 11.259 1.00 11.41 H new ATOM 0 HG13 ILE A 46 10.746 0.740 11.125 1.00 11.41 H new ATOM 0 HG21 ILE A 46 10.878 2.788 13.603 1.00 25.02 H new ATOM 0 HG22 ILE A 46 9.695 1.964 14.646 1.00 25.02 H new ATOM 0 HG23 ILE A 46 10.967 1.025 13.830 1.00 25.02 H new ATOM 0 HD11 ILE A 46 10.074 1.860 9.063 1.00 34.11 H new ATOM 0 HD12 ILE A 46 8.676 1.063 9.822 1.00 34.11 H new ATOM 0 HD13 ILE A 46 8.877 2.826 9.958 1.00 34.11 H new ATOM 715 N GLN A 47 8.359 -0.761 14.854 1.00 41.34 N ATOM 716 CA GLN A 47 7.855 -1.029 16.225 1.00 33.23 C ATOM 717 C GLN A 47 8.387 -0.005 17.241 1.00 11.12 C ATOM 718 O GLN A 47 7.800 0.172 18.316 1.00 42.21 O ATOM 719 CB GLN A 47 8.240 -2.463 16.676 1.00 4.41 C ATOM 720 CG GLN A 47 9.753 -2.756 16.695 1.00 31.23 C ATOM 721 CD GLN A 47 10.077 -4.191 17.103 1.00 70.31 C ATOM 722 OE1 GLN A 47 10.268 -4.488 18.284 1.00 33.22 O ATOM 723 NE2 GLN A 47 10.131 -5.097 16.140 1.00 44.33 N ATOM 0 H GLN A 47 9.104 -1.392 14.560 1.00 41.34 H new ATOM 0 HA GLN A 47 6.769 -0.939 16.192 1.00 33.23 H new ATOM 0 HB2 GLN A 47 7.840 -2.633 17.676 1.00 4.41 H new ATOM 0 HB3 GLN A 47 7.755 -3.179 16.012 1.00 4.41 H new ATOM 0 HG2 GLN A 47 10.167 -2.563 15.706 1.00 31.23 H new ATOM 0 HG3 GLN A 47 10.242 -2.069 17.385 1.00 31.23 H new ATOM 0 HE21 GLN A 47 9.969 -4.822 15.171 1.00 44.33 H new ATOM 0 HE22 GLN A 47 10.335 -6.070 16.366 1.00 44.33 H new ATOM 732 N ASP A 48 9.502 0.646 16.887 1.00 31.13 N ATOM 733 CA ASP A 48 10.213 1.581 17.771 1.00 14.24 C ATOM 734 C ASP A 48 9.407 2.881 17.998 1.00 63.04 C ATOM 735 O ASP A 48 9.329 3.390 19.123 1.00 72.11 O ATOM 736 CB ASP A 48 11.607 1.888 17.165 1.00 73.14 C ATOM 737 CG ASP A 48 12.406 2.952 17.937 1.00 64.23 C ATOM 738 OD1 ASP A 48 13.035 2.608 18.960 1.00 64.12 O ATOM 739 OD2 ASP A 48 12.409 4.131 17.517 1.00 63.22 O ATOM 0 H ASP A 48 9.940 0.539 15.972 1.00 31.13 H new ATOM 0 HA ASP A 48 10.336 1.115 18.749 1.00 14.24 H new ATOM 0 HB2 ASP A 48 12.188 0.966 17.131 1.00 73.14 H new ATOM 0 HB3 ASP A 48 11.478 2.222 16.135 1.00 73.14 H new ATOM 744 N SER A 49 8.801 3.390 16.920 1.00 34.31 N ATOM 745 CA SER A 49 8.039 4.657 16.924 1.00 54.15 C ATOM 746 C SER A 49 6.907 4.584 15.894 1.00 72.32 C ATOM 747 O SER A 49 6.891 3.675 15.057 1.00 63.44 O ATOM 748 CB SER A 49 8.971 5.855 16.603 1.00 33.40 C ATOM 749 OG SER A 49 9.990 6.002 17.577 1.00 53.20 O ATOM 0 H SER A 49 8.822 2.934 16.008 1.00 34.31 H new ATOM 0 HA SER A 49 7.614 4.806 17.917 1.00 54.15 H new ATOM 0 HB2 SER A 49 9.423 5.711 15.622 1.00 33.40 H new ATOM 0 HB3 SER A 49 8.382 6.771 16.551 1.00 33.40 H new ATOM 0 HG SER A 49 10.696 5.342 17.414 1.00 53.20 H new ATOM 755 N ASP A 50 5.975 5.559 15.952 1.00 34.43 N ATOM 756 CA ASP A 50 4.861 5.666 14.987 1.00 34.10 C ATOM 757 C ASP A 50 5.391 6.154 13.629 1.00 42.12 C ATOM 758 O ASP A 50 5.348 7.345 13.317 1.00 22.32 O ATOM 759 CB ASP A 50 3.750 6.614 15.514 1.00 21.14 C ATOM 760 CG ASP A 50 3.134 6.115 16.821 1.00 53.01 C ATOM 761 OD1 ASP A 50 2.178 5.314 16.776 1.00 51.30 O ATOM 762 OD2 ASP A 50 3.615 6.510 17.905 1.00 71.44 O ATOM 0 H ASP A 50 5.973 6.289 16.664 1.00 34.43 H new ATOM 0 HA ASP A 50 4.419 4.678 14.861 1.00 34.10 H new ATOM 0 HB2 ASP A 50 4.167 7.609 15.668 1.00 21.14 H new ATOM 0 HB3 ASP A 50 2.969 6.709 14.760 1.00 21.14 H new ATOM 767 N LYS A 51 5.965 5.209 12.877 1.00 13.12 N ATOM 768 CA LYS A 51 6.535 5.407 11.539 1.00 22.21 C ATOM 769 C LYS A 51 6.380 4.109 10.743 1.00 43.34 C ATOM 770 O LYS A 51 6.288 3.025 11.322 1.00 14.42 O ATOM 771 CB LYS A 51 8.046 5.809 11.594 1.00 74.14 C ATOM 772 CG LYS A 51 8.331 7.235 12.128 1.00 63.42 C ATOM 773 CD LYS A 51 9.837 7.591 12.120 1.00 63.44 C ATOM 774 CE LYS A 51 10.683 6.656 13.008 1.00 42.41 C ATOM 775 NZ LYS A 51 12.115 7.055 13.011 1.00 20.32 N ATOM 0 H LYS A 51 6.049 4.244 13.197 1.00 13.12 H new ATOM 0 HA LYS A 51 5.998 6.225 11.058 1.00 22.21 H new ATOM 0 HB2 LYS A 51 8.574 5.091 12.222 1.00 74.14 H new ATOM 0 HB3 LYS A 51 8.465 5.724 10.591 1.00 74.14 H new ATOM 0 HG2 LYS A 51 7.788 7.960 11.521 1.00 63.42 H new ATOM 0 HG3 LYS A 51 7.948 7.320 13.145 1.00 63.42 H new ATOM 0 HD2 LYS A 51 10.210 7.546 11.097 1.00 63.44 H new ATOM 0 HD3 LYS A 51 9.963 8.619 12.461 1.00 63.44 H new ATOM 0 HE2 LYS A 51 10.297 6.673 14.027 1.00 42.41 H new ATOM 0 HE3 LYS A 51 10.591 5.631 12.650 1.00 42.41 H new ATOM 0 HZ1 LYS A 51 12.655 6.406 13.618 1.00 20.32 H new ATOM 0 HZ2 LYS A 51 12.489 7.014 12.041 1.00 20.32 H new ATOM 0 HZ3 LYS A 51 12.204 8.025 13.376 1.00 20.32 H new ATOM 789 N SER A 52 6.356 4.240 9.417 1.00 24.25 N ATOM 790 CA SER A 52 6.287 3.121 8.475 1.00 4.23 C ATOM 791 C SER A 52 6.993 3.540 7.191 1.00 51.34 C ATOM 792 O SER A 52 6.750 4.640 6.700 1.00 75.43 O ATOM 793 CB SER A 52 4.817 2.739 8.183 1.00 35.50 C ATOM 794 OG SER A 52 4.180 2.216 9.330 1.00 54.22 O ATOM 0 H SER A 52 6.385 5.149 8.956 1.00 24.25 H new ATOM 0 HA SER A 52 6.774 2.245 8.904 1.00 4.23 H new ATOM 0 HB2 SER A 52 4.275 3.617 7.833 1.00 35.50 H new ATOM 0 HB3 SER A 52 4.784 2.003 7.380 1.00 35.50 H new ATOM 0 HG SER A 52 3.784 2.948 9.847 1.00 54.22 H new ATOM 800 N HIS A 53 7.888 2.694 6.669 1.00 64.34 N ATOM 801 CA HIS A 53 8.528 2.931 5.371 1.00 43.41 C ATOM 802 C HIS A 53 7.666 2.290 4.277 1.00 63.45 C ATOM 803 O HIS A 53 7.603 1.058 4.183 1.00 50.30 O ATOM 804 CB HIS A 53 9.955 2.318 5.309 1.00 73.44 C ATOM 805 CG HIS A 53 10.947 2.826 6.317 1.00 31.40 C ATOM 806 ND1 HIS A 53 11.333 4.136 6.390 1.00 14.11 N ATOM 807 CD2 HIS A 53 11.668 2.179 7.265 1.00 63.34 C ATOM 808 CE1 HIS A 53 12.239 4.281 7.326 1.00 3.42 C ATOM 809 NE2 HIS A 53 12.460 3.110 7.876 1.00 74.35 N ATOM 0 H HIS A 53 8.187 1.834 7.129 1.00 64.34 H new ATOM 0 HA HIS A 53 8.617 4.008 5.225 1.00 43.41 H new ATOM 0 HB2 HIS A 53 9.868 1.238 5.430 1.00 73.44 H new ATOM 0 HB3 HIS A 53 10.360 2.496 4.313 1.00 73.44 H new ATOM 0 HD2 HIS A 53 11.625 1.125 7.495 1.00 63.34 H new ATOM 0 HE1 HIS A 53 12.722 5.208 7.599 1.00 3.42 H new ATOM 0 HE2 HIS A 53 13.116 2.925 8.635 1.00 74.35 H new ATOM 818 N ILE A 54 6.978 3.121 3.494 1.00 2.10 N ATOM 819 CA ILE A 54 6.218 2.666 2.325 1.00 21.01 C ATOM 820 C ILE A 54 7.098 2.916 1.115 1.00 24.22 C ATOM 821 O ILE A 54 7.265 4.076 0.710 1.00 13.43 O ATOM 822 CB ILE A 54 4.828 3.407 2.092 1.00 72.44 C ATOM 823 CG1 ILE A 54 3.887 3.359 3.333 1.00 72.23 C ATOM 824 CG2 ILE A 54 4.096 2.812 0.857 1.00 44.23 C ATOM 825 CD1 ILE A 54 4.370 4.120 4.539 1.00 24.34 C ATOM 0 H ILE A 54 6.930 4.128 3.650 1.00 2.10 H new ATOM 0 HA ILE A 54 5.967 1.618 2.489 1.00 21.01 H new ATOM 0 HB ILE A 54 5.069 4.455 1.915 1.00 72.44 H new ATOM 0 HG12 ILE A 54 2.912 3.751 3.044 1.00 72.23 H new ATOM 0 HG13 ILE A 54 3.740 2.317 3.617 1.00 72.23 H new ATOM 0 HG21 ILE A 54 3.148 3.330 0.712 1.00 44.23 H new ATOM 0 HG22 ILE A 54 4.717 2.938 -0.030 1.00 44.23 H new ATOM 0 HG23 ILE A 54 3.909 1.751 1.021 1.00 44.23 H new ATOM 0 HD11 ILE A 54 3.644 4.022 5.346 1.00 24.34 H new ATOM 0 HD12 ILE A 54 5.329 3.717 4.864 1.00 24.34 H new ATOM 0 HD13 ILE A 54 4.488 5.173 4.282 1.00 24.34 H new ATOM 837 N TRP A 55 7.714 1.861 0.568 1.00 62.04 N ATOM 838 CA TRP A 55 8.420 1.980 -0.704 1.00 61.21 C ATOM 839 C TRP A 55 7.582 1.376 -1.821 1.00 72.43 C ATOM 840 O TRP A 55 7.062 0.249 -1.717 1.00 41.43 O ATOM 841 CB TRP A 55 9.866 1.443 -0.670 1.00 50.23 C ATOM 842 CG TRP A 55 10.083 0.021 -0.263 1.00 20.14 C ATOM 843 CD1 TRP A 55 10.225 -1.076 -1.070 1.00 12.43 C ATOM 844 CD2 TRP A 55 10.260 -0.439 1.078 1.00 73.45 C ATOM 845 NE1 TRP A 55 10.501 -2.176 -0.304 1.00 24.02 N ATOM 846 CE2 TRP A 55 10.531 -1.802 1.016 1.00 33.42 C ATOM 847 CE3 TRP A 55 10.231 0.184 2.324 1.00 30.02 C ATOM 848 CZ2 TRP A 55 10.760 -2.560 2.153 1.00 50.44 C ATOM 849 CZ3 TRP A 55 10.451 -0.578 3.450 1.00 0.43 C ATOM 850 CH2 TRP A 55 10.720 -1.929 3.357 1.00 65.13 C ATOM 0 H TRP A 55 7.736 0.929 0.983 1.00 62.04 H new ATOM 0 HA TRP A 55 8.545 3.043 -0.909 1.00 61.21 H new ATOM 0 HB2 TRP A 55 10.293 1.573 -1.664 1.00 50.23 H new ATOM 0 HB3 TRP A 55 10.440 2.075 0.008 1.00 50.23 H new ATOM 0 HD1 TRP A 55 10.133 -1.074 -2.146 1.00 12.43 H new ATOM 0 HE1 TRP A 55 10.659 -3.120 -0.657 1.00 24.02 H new ATOM 0 HE3 TRP A 55 10.040 1.244 2.405 1.00 30.02 H new ATOM 0 HZ2 TRP A 55 10.964 -3.618 2.085 1.00 50.44 H new ATOM 0 HZ3 TRP A 55 10.412 -0.110 4.423 1.00 0.43 H new ATOM 0 HH2 TRP A 55 10.902 -2.496 4.258 1.00 65.13 H new ATOM 861 N LEU A 56 7.395 2.204 -2.854 1.00 24.31 N ATOM 862 CA LEU A 56 6.594 1.877 -4.021 1.00 31.01 C ATOM 863 C LEU A 56 7.522 1.365 -5.116 1.00 4.44 C ATOM 864 O LEU A 56 8.501 2.030 -5.470 1.00 20.53 O ATOM 865 CB LEU A 56 5.792 3.122 -4.512 1.00 12.01 C ATOM 866 CG LEU A 56 4.704 3.690 -3.533 1.00 4.22 C ATOM 867 CD1 LEU A 56 3.711 2.594 -3.089 1.00 22.34 C ATOM 868 CD2 LEU A 56 5.329 4.429 -2.316 1.00 43.03 C ATOM 0 H LEU A 56 7.807 3.136 -2.896 1.00 24.31 H new ATOM 0 HA LEU A 56 5.868 1.106 -3.763 1.00 31.01 H new ATOM 0 HB2 LEU A 56 6.502 3.919 -4.731 1.00 12.01 H new ATOM 0 HB3 LEU A 56 5.303 2.863 -5.451 1.00 12.01 H new ATOM 0 HG LEU A 56 4.139 4.436 -4.092 1.00 4.22 H new ATOM 0 HD11 LEU A 56 2.973 3.024 -2.412 1.00 22.34 H new ATOM 0 HD12 LEU A 56 3.206 2.184 -3.964 1.00 22.34 H new ATOM 0 HD13 LEU A 56 4.252 1.798 -2.577 1.00 22.34 H new ATOM 0 HD21 LEU A 56 4.535 4.803 -1.670 1.00 43.03 H new ATOM 0 HD22 LEU A 56 5.958 3.738 -1.755 1.00 43.03 H new ATOM 0 HD23 LEU A 56 5.933 5.265 -2.669 1.00 43.03 H new ATOM 880 N LEU A 57 7.214 0.170 -5.615 1.00 14.21 N ATOM 881 CA LEU A 57 7.921 -0.448 -6.727 1.00 30.20 C ATOM 882 C LEU A 57 7.248 0.043 -7.998 1.00 24.31 C ATOM 883 O LEU A 57 6.239 -0.514 -8.435 1.00 64.43 O ATOM 884 CB LEU A 57 7.880 -2.006 -6.631 1.00 63.35 C ATOM 885 CG LEU A 57 8.596 -2.649 -5.394 1.00 22.32 C ATOM 886 CD1 LEU A 57 10.054 -2.186 -5.297 1.00 70.52 C ATOM 887 CD2 LEU A 57 7.837 -2.386 -4.071 1.00 10.11 C ATOM 0 H LEU A 57 6.453 -0.403 -5.250 1.00 14.21 H new ATOM 0 HA LEU A 57 8.975 -0.172 -6.715 1.00 30.20 H new ATOM 0 HB2 LEU A 57 6.836 -2.320 -6.622 1.00 63.35 H new ATOM 0 HB3 LEU A 57 8.329 -2.416 -7.536 1.00 63.35 H new ATOM 0 HG LEU A 57 8.591 -3.728 -5.551 1.00 22.32 H new ATOM 0 HD11 LEU A 57 10.526 -2.648 -4.430 1.00 70.52 H new ATOM 0 HD12 LEU A 57 10.590 -2.479 -6.200 1.00 70.52 H new ATOM 0 HD13 LEU A 57 10.085 -1.101 -5.192 1.00 70.52 H new ATOM 0 HD21 LEU A 57 8.374 -2.852 -3.245 1.00 10.11 H new ATOM 0 HD22 LEU A 57 7.767 -1.312 -3.899 1.00 10.11 H new ATOM 0 HD23 LEU A 57 6.834 -2.809 -4.137 1.00 10.11 H new ATOM 899 N VAL A 58 7.773 1.147 -8.520 1.00 11.41 N ATOM 900 CA VAL A 58 7.167 1.895 -9.634 1.00 14.43 C ATOM 901 C VAL A 58 8.289 2.485 -10.480 1.00 71.23 C ATOM 902 O VAL A 58 9.351 2.722 -9.950 1.00 75.14 O ATOM 903 CB VAL A 58 6.250 3.053 -9.079 1.00 74.12 C ATOM 904 CG1 VAL A 58 7.062 4.131 -8.324 1.00 52.12 C ATOM 905 CG2 VAL A 58 5.375 3.674 -10.185 1.00 52.24 C ATOM 0 H VAL A 58 8.643 1.559 -8.182 1.00 11.41 H new ATOM 0 HA VAL A 58 6.550 1.228 -10.236 1.00 14.43 H new ATOM 0 HB VAL A 58 5.578 2.596 -8.353 1.00 74.12 H new ATOM 0 HG11 VAL A 58 6.388 4.907 -7.961 1.00 52.12 H new ATOM 0 HG12 VAL A 58 7.577 3.673 -7.479 1.00 52.12 H new ATOM 0 HG13 VAL A 58 7.794 4.574 -8.999 1.00 52.12 H new ATOM 0 HG21 VAL A 58 4.760 4.467 -9.760 1.00 52.24 H new ATOM 0 HG22 VAL A 58 6.014 4.089 -10.964 1.00 52.24 H new ATOM 0 HG23 VAL A 58 4.732 2.906 -10.614 1.00 52.24 H new ATOM 915 N ASN A 59 8.083 2.699 -11.780 1.00 42.10 N ATOM 916 CA ASN A 59 9.085 3.415 -12.601 1.00 31.31 C ATOM 917 C ASN A 59 8.941 4.940 -12.398 1.00 3.44 C ATOM 918 O ASN A 59 7.836 5.447 -12.201 1.00 41.11 O ATOM 919 CB ASN A 59 8.997 2.989 -14.094 1.00 11.53 C ATOM 920 CG ASN A 59 7.625 3.176 -14.766 1.00 53.50 C ATOM 921 OD1 ASN A 59 6.829 4.056 -14.414 1.00 21.41 O ATOM 922 ND2 ASN A 59 7.337 2.346 -15.765 1.00 14.12 N ATOM 0 H ASN A 59 7.251 2.397 -12.288 1.00 42.10 H new ATOM 0 HA ASN A 59 10.086 3.138 -12.269 1.00 31.31 H new ATOM 0 HB2 ASN A 59 9.737 3.557 -14.658 1.00 11.53 H new ATOM 0 HB3 ASN A 59 9.277 1.938 -14.169 1.00 11.53 H new ATOM 0 HD21 ASN A 59 6.447 2.428 -16.256 1.00 14.12 H new ATOM 0 HD22 ASN A 59 8.007 1.627 -16.040 1.00 14.12 H new ATOM 929 N ASP A 60 10.076 5.652 -12.374 1.00 64.13 N ATOM 930 CA ASP A 60 10.118 7.110 -12.201 1.00 34.02 C ATOM 931 C ASP A 60 9.697 7.833 -13.482 1.00 63.00 C ATOM 932 O ASP A 60 9.874 7.316 -14.589 1.00 44.14 O ATOM 933 CB ASP A 60 11.526 7.565 -11.750 1.00 2.31 C ATOM 934 CG ASP A 60 11.630 9.083 -11.500 1.00 62.11 C ATOM 935 OD1 ASP A 60 10.952 9.589 -10.581 1.00 24.22 O ATOM 936 OD2 ASP A 60 12.360 9.773 -12.240 1.00 55.34 O ATOM 0 H ASP A 60 10.998 5.228 -12.475 1.00 64.13 H new ATOM 0 HA ASP A 60 9.405 7.376 -11.421 1.00 34.02 H new ATOM 0 HB2 ASP A 60 11.795 7.035 -10.836 1.00 2.31 H new ATOM 0 HB3 ASP A 60 12.253 7.279 -12.511 1.00 2.31 H new ATOM 941 N ASP A 61 9.149 9.037 -13.306 1.00 20.45 N ATOM 942 CA ASP A 61 8.635 9.863 -14.397 1.00 55.15 C ATOM 943 C ASP A 61 8.953 11.337 -14.108 1.00 14.34 C ATOM 944 O ASP A 61 9.220 11.708 -12.955 1.00 24.41 O ATOM 945 CB ASP A 61 7.109 9.617 -14.538 1.00 75.54 C ATOM 946 CG ASP A 61 6.504 10.197 -15.829 1.00 14.05 C ATOM 947 OD1 ASP A 61 6.141 11.387 -15.854 1.00 71.30 O ATOM 948 OD2 ASP A 61 6.384 9.457 -16.819 1.00 61.34 O ATOM 0 H ASP A 61 9.049 9.471 -12.388 1.00 20.45 H new ATOM 0 HA ASP A 61 9.110 9.598 -15.342 1.00 55.15 H new ATOM 0 HB2 ASP A 61 6.919 8.544 -14.509 1.00 75.54 H new ATOM 0 HB3 ASP A 61 6.599 10.055 -13.680 1.00 75.54 H new ATOM 953 N GLN A 62 8.896 12.166 -15.161 1.00 25.12 N ATOM 954 CA GLN A 62 9.167 13.618 -15.088 1.00 43.51 C ATOM 955 C GLN A 62 8.161 14.327 -14.159 1.00 12.12 C ATOM 956 O GLN A 62 8.518 15.252 -13.420 1.00 11.41 O ATOM 957 CB GLN A 62 9.091 14.226 -16.511 1.00 23.34 C ATOM 958 CG GLN A 62 10.030 13.550 -17.532 1.00 3.34 C ATOM 959 CD GLN A 62 9.920 14.113 -18.951 1.00 22.25 C ATOM 960 OE1 GLN A 62 8.865 14.594 -19.363 1.00 40.41 O ATOM 961 NE2 GLN A 62 10.998 14.038 -19.720 1.00 60.42 N ATOM 0 H GLN A 62 8.658 11.848 -16.100 1.00 25.12 H new ATOM 0 HA GLN A 62 10.165 13.764 -14.676 1.00 43.51 H new ATOM 0 HB2 GLN A 62 8.065 14.153 -16.872 1.00 23.34 H new ATOM 0 HB3 GLN A 62 9.335 15.287 -16.455 1.00 23.34 H new ATOM 0 HG2 GLN A 62 11.059 13.657 -17.189 1.00 3.34 H new ATOM 0 HG3 GLN A 62 9.812 12.482 -17.558 1.00 3.34 H new ATOM 0 HE21 GLN A 62 11.860 13.634 -19.352 1.00 60.42 H new ATOM 0 HE22 GLN A 62 10.965 14.384 -20.679 1.00 60.42 H new ATOM 970 N ARG A 63 6.904 13.857 -14.208 1.00 61.21 N ATOM 971 CA ARG A 63 5.797 14.396 -13.394 1.00 51.15 C ATOM 972 C ARG A 63 5.859 13.821 -11.975 1.00 52.43 C ATOM 973 O ARG A 63 5.404 14.469 -11.022 1.00 70.32 O ATOM 974 CB ARG A 63 4.400 14.089 -14.024 1.00 64.35 C ATOM 975 CG ARG A 63 4.081 14.803 -15.368 1.00 41.11 C ATOM 976 CD ARG A 63 4.923 14.298 -16.552 1.00 65.41 C ATOM 977 NE ARG A 63 4.521 14.874 -17.837 1.00 12.30 N ATOM 978 CZ ARG A 63 5.063 14.553 -19.019 1.00 60.41 C ATOM 979 NH1 ARG A 63 6.044 13.651 -19.104 1.00 64.23 N ATOM 980 NH2 ARG A 63 4.607 15.127 -20.118 1.00 75.41 N ATOM 0 H ARG A 63 6.623 13.088 -14.816 1.00 61.21 H new ATOM 0 HA ARG A 63 5.916 15.479 -13.361 1.00 51.15 H new ATOM 0 HB2 ARG A 63 4.324 13.013 -14.181 1.00 64.35 H new ATOM 0 HB3 ARG A 63 3.631 14.361 -13.301 1.00 64.35 H new ATOM 0 HG2 ARG A 63 3.025 14.666 -15.600 1.00 41.11 H new ATOM 0 HG3 ARG A 63 4.245 15.874 -15.248 1.00 41.11 H new ATOM 0 HD2 ARG A 63 5.972 14.532 -16.369 1.00 65.41 H new ATOM 0 HD3 ARG A 63 4.844 13.212 -16.608 1.00 65.41 H new ATOM 0 HE ARG A 63 3.775 15.569 -17.831 1.00 12.30 H new ATOM 0 HH11 ARG A 63 6.392 13.195 -18.261 1.00 64.23 H new ATOM 0 HH12 ARG A 63 6.446 13.418 -20.012 1.00 64.23 H new ATOM 0 HH21 ARG A 63 3.849 15.807 -20.061 1.00 75.41 H new ATOM 0 HH22 ARG A 63 5.013 14.890 -21.023 1.00 75.41 H new ATOM 994 N LEU A 64 6.416 12.590 -11.856 1.00 24.35 N ATOM 995 CA LEU A 64 6.474 11.849 -10.586 1.00 33.50 C ATOM 996 C LEU A 64 7.247 12.660 -9.528 1.00 4.32 C ATOM 997 O LEU A 64 6.721 12.904 -8.450 1.00 52.55 O ATOM 998 CB LEU A 64 7.123 10.456 -10.778 1.00 71.11 C ATOM 999 CG LEU A 64 6.852 9.407 -9.644 1.00 45.30 C ATOM 1000 CD1 LEU A 64 5.434 8.824 -9.739 1.00 75.21 C ATOM 1001 CD2 LEU A 64 7.880 8.274 -9.663 1.00 2.44 C ATOM 0 H LEU A 64 6.835 12.090 -12.640 1.00 24.35 H new ATOM 0 HA LEU A 64 5.452 11.698 -10.238 1.00 33.50 H new ATOM 0 HB2 LEU A 64 6.770 10.040 -11.722 1.00 71.11 H new ATOM 0 HB3 LEU A 64 8.201 10.589 -10.872 1.00 71.11 H new ATOM 0 HG LEU A 64 6.945 9.942 -8.699 1.00 45.30 H new ATOM 0 HD11 LEU A 64 5.283 8.101 -8.937 1.00 75.21 H new ATOM 0 HD12 LEU A 64 4.703 9.627 -9.646 1.00 75.21 H new ATOM 0 HD13 LEU A 64 5.308 8.329 -10.702 1.00 75.21 H new ATOM 0 HD21 LEU A 64 7.658 7.568 -8.863 1.00 2.44 H new ATOM 0 HD22 LEU A 64 7.837 7.760 -10.623 1.00 2.44 H new ATOM 0 HD23 LEU A 64 8.878 8.686 -9.517 1.00 2.44 H new ATOM 1013 N GLU A 65 8.458 13.144 -9.913 1.00 71.30 N ATOM 1014 CA GLU A 65 9.353 13.939 -9.034 1.00 42.43 C ATOM 1015 C GLU A 65 8.659 15.197 -8.468 1.00 41.54 C ATOM 1016 O GLU A 65 8.870 15.560 -7.308 1.00 41.13 O ATOM 1017 CB GLU A 65 10.623 14.376 -9.803 1.00 53.43 C ATOM 1018 CG GLU A 65 11.471 13.227 -10.367 1.00 62.41 C ATOM 1019 CD GLU A 65 12.807 13.716 -10.947 1.00 30.21 C ATOM 1020 OE1 GLU A 65 12.851 14.091 -12.138 1.00 20.15 O ATOM 1021 OE2 GLU A 65 13.815 13.767 -10.199 1.00 33.15 O ATOM 0 H GLU A 65 8.841 12.992 -10.846 1.00 71.30 H new ATOM 0 HA GLU A 65 9.620 13.290 -8.200 1.00 42.43 H new ATOM 0 HB2 GLU A 65 10.325 15.025 -10.626 1.00 53.43 H new ATOM 0 HB3 GLU A 65 11.245 14.973 -9.136 1.00 53.43 H new ATOM 0 HG2 GLU A 65 11.665 12.501 -9.578 1.00 62.41 H new ATOM 0 HG3 GLU A 65 10.908 12.711 -11.144 1.00 62.41 H new ATOM 1028 N GLN A 66 7.831 15.833 -9.310 1.00 30.20 N ATOM 1029 CA GLN A 66 7.109 17.073 -8.965 1.00 45.14 C ATOM 1030 C GLN A 66 6.079 16.812 -7.849 1.00 34.14 C ATOM 1031 O GLN A 66 5.987 17.557 -6.863 1.00 20.54 O ATOM 1032 CB GLN A 66 6.412 17.629 -10.232 1.00 33.51 C ATOM 1033 CG GLN A 66 7.361 17.896 -11.420 1.00 52.04 C ATOM 1034 CD GLN A 66 8.464 18.911 -11.108 1.00 4.32 C ATOM 1035 OE1 GLN A 66 9.559 18.557 -10.666 1.00 5.30 O ATOM 1036 NE2 GLN A 66 8.179 20.183 -11.339 1.00 64.23 N ATOM 0 H GLN A 66 7.640 15.502 -10.256 1.00 30.20 H new ATOM 0 HA GLN A 66 7.821 17.810 -8.594 1.00 45.14 H new ATOM 0 HB2 GLN A 66 5.644 16.923 -10.548 1.00 33.51 H new ATOM 0 HB3 GLN A 66 5.904 18.558 -9.974 1.00 33.51 H new ATOM 0 HG2 GLN A 66 7.820 16.956 -11.726 1.00 52.04 H new ATOM 0 HG3 GLN A 66 6.777 18.256 -12.267 1.00 52.04 H new ATOM 0 HE21 GLN A 66 7.263 20.442 -11.705 1.00 64.23 H new ATOM 0 HE22 GLN A 66 8.876 20.904 -11.151 1.00 64.23 H new ATOM 1045 N MET A 67 5.337 15.711 -8.016 1.00 23.44 N ATOM 1046 CA MET A 67 4.316 15.259 -7.060 1.00 62.44 C ATOM 1047 C MET A 67 4.960 14.694 -5.783 1.00 21.33 C ATOM 1048 O MET A 67 4.360 14.748 -4.712 1.00 73.33 O ATOM 1049 CB MET A 67 3.397 14.224 -7.738 1.00 32.14 C ATOM 1050 CG MET A 67 2.580 14.798 -8.907 1.00 64.13 C ATOM 1051 SD MET A 67 1.542 13.562 -9.700 1.00 35.03 S ATOM 1052 CE MET A 67 2.770 12.392 -10.274 1.00 63.40 C ATOM 0 H MET A 67 5.429 15.101 -8.828 1.00 23.44 H new ATOM 0 HA MET A 67 3.712 16.114 -6.756 1.00 62.44 H new ATOM 0 HB2 MET A 67 4.004 13.395 -8.102 1.00 32.14 H new ATOM 0 HB3 MET A 67 2.713 13.815 -6.994 1.00 32.14 H new ATOM 0 HG2 MET A 67 1.954 15.612 -8.542 1.00 64.13 H new ATOM 0 HG3 MET A 67 3.259 15.224 -9.645 1.00 64.13 H new ATOM 0 HE1 MET A 67 2.564 12.128 -11.311 1.00 63.40 H new ATOM 0 HE2 MET A 67 3.761 12.841 -10.204 1.00 63.40 H new ATOM 0 HE3 MET A 67 2.734 11.494 -9.657 1.00 63.40 H new ATOM 1062 N ILE A 68 6.187 14.161 -5.923 1.00 45.14 N ATOM 1063 CA ILE A 68 7.008 13.674 -4.799 1.00 60.35 C ATOM 1064 C ILE A 68 7.468 14.865 -3.910 1.00 61.12 C ATOM 1065 O ILE A 68 7.495 14.764 -2.671 1.00 23.11 O ATOM 1066 CB ILE A 68 8.229 12.831 -5.339 1.00 2.33 C ATOM 1067 CG1 ILE A 68 7.733 11.455 -5.893 1.00 4.22 C ATOM 1068 CG2 ILE A 68 9.329 12.638 -4.276 1.00 14.54 C ATOM 1069 CD1 ILE A 68 8.793 10.629 -6.596 1.00 4.24 C ATOM 0 H ILE A 68 6.642 14.055 -6.830 1.00 45.14 H new ATOM 0 HA ILE A 68 6.407 13.014 -4.173 1.00 60.35 H new ATOM 0 HB ILE A 68 8.682 13.397 -6.153 1.00 2.33 H new ATOM 0 HG12 ILE A 68 7.328 10.872 -5.066 1.00 4.22 H new ATOM 0 HG13 ILE A 68 6.913 11.634 -6.588 1.00 4.22 H new ATOM 0 HG21 ILE A 68 10.145 12.052 -4.699 1.00 14.54 H new ATOM 0 HG22 ILE A 68 9.706 13.611 -3.962 1.00 14.54 H new ATOM 0 HG23 ILE A 68 8.915 12.114 -3.415 1.00 14.54 H new ATOM 0 HD11 ILE A 68 8.354 9.694 -6.945 1.00 4.24 H new ATOM 0 HD12 ILE A 68 9.183 11.186 -7.448 1.00 4.24 H new ATOM 0 HD13 ILE A 68 9.605 10.412 -5.902 1.00 4.24 H new ATOM 1081 N SER A 69 7.786 15.996 -4.555 1.00 43.21 N ATOM 1082 CA SER A 69 8.170 17.239 -3.859 1.00 63.11 C ATOM 1083 C SER A 69 6.954 17.857 -3.132 1.00 61.43 C ATOM 1084 O SER A 69 7.093 18.476 -2.071 1.00 34.22 O ATOM 1085 CB SER A 69 8.751 18.242 -4.871 1.00 24.43 C ATOM 1086 OG SER A 69 9.860 17.692 -5.567 1.00 34.15 O ATOM 0 H SER A 69 7.785 16.078 -5.572 1.00 43.21 H new ATOM 0 HA SER A 69 8.928 17.002 -3.113 1.00 63.11 H new ATOM 0 HB2 SER A 69 7.979 18.530 -5.584 1.00 24.43 H new ATOM 0 HB3 SER A 69 9.059 19.149 -4.351 1.00 24.43 H new ATOM 0 HG SER A 69 9.550 16.983 -6.169 1.00 34.15 H new ATOM 1092 N GLN A 70 5.765 17.664 -3.727 1.00 75.25 N ATOM 1093 CA GLN A 70 4.498 18.197 -3.208 1.00 25.04 C ATOM 1094 C GLN A 70 4.004 17.351 -2.016 1.00 43.32 C ATOM 1095 O GLN A 70 3.551 17.903 -1.011 1.00 55.51 O ATOM 1096 CB GLN A 70 3.465 18.242 -4.379 1.00 43.44 C ATOM 1097 CG GLN A 70 2.095 18.920 -4.089 1.00 61.23 C ATOM 1098 CD GLN A 70 1.069 18.018 -3.393 1.00 22.23 C ATOM 1099 OE1 GLN A 70 0.335 17.278 -4.042 1.00 33.15 O ATOM 1100 NE2 GLN A 70 0.992 18.087 -2.076 1.00 5.22 N ATOM 0 H GLN A 70 5.657 17.129 -4.589 1.00 75.25 H new ATOM 0 HA GLN A 70 4.635 19.210 -2.829 1.00 25.04 H new ATOM 0 HB2 GLN A 70 3.928 18.760 -5.219 1.00 43.44 H new ATOM 0 HB3 GLN A 70 3.274 17.218 -4.702 1.00 43.44 H new ATOM 0 HG2 GLN A 70 2.265 19.800 -3.469 1.00 61.23 H new ATOM 0 HG3 GLN A 70 1.672 19.270 -5.030 1.00 61.23 H new ATOM 0 HE21 GLN A 70 1.614 18.710 -1.561 1.00 5.22 H new ATOM 0 HE22 GLN A 70 0.311 17.517 -1.574 1.00 5.22 H new ATOM 1109 N ILE A 71 4.102 16.012 -2.127 1.00 23.52 N ATOM 1110 CA ILE A 71 3.632 15.089 -1.066 1.00 53.10 C ATOM 1111 C ILE A 71 4.519 15.219 0.194 1.00 0.31 C ATOM 1112 O ILE A 71 4.052 15.017 1.315 1.00 13.24 O ATOM 1113 CB ILE A 71 3.594 13.592 -1.549 1.00 32.30 C ATOM 1114 CG1 ILE A 71 2.880 12.681 -0.501 1.00 33.40 C ATOM 1115 CG2 ILE A 71 5.001 13.060 -1.874 1.00 24.10 C ATOM 1116 CD1 ILE A 71 3.002 11.200 -0.772 1.00 41.22 C ATOM 0 H ILE A 71 4.502 15.542 -2.939 1.00 23.52 H new ATOM 0 HA ILE A 71 2.610 15.378 -0.821 1.00 53.10 H new ATOM 0 HB ILE A 71 3.015 13.565 -2.472 1.00 32.30 H new ATOM 0 HG12 ILE A 71 3.292 12.892 0.486 1.00 33.40 H new ATOM 0 HG13 ILE A 71 1.823 12.946 -0.468 1.00 33.40 H new ATOM 0 HG21 ILE A 71 4.931 12.023 -2.204 1.00 24.10 H new ATOM 0 HG22 ILE A 71 5.444 13.664 -2.666 1.00 24.10 H new ATOM 0 HG23 ILE A 71 5.626 13.116 -0.983 1.00 24.10 H new ATOM 0 HD11 ILE A 71 2.477 10.644 0.005 1.00 41.22 H new ATOM 0 HD12 ILE A 71 2.563 10.970 -1.743 1.00 41.22 H new ATOM 0 HD13 ILE A 71 4.054 10.916 -0.774 1.00 41.22 H new ATOM 1128 N ASP A 72 5.803 15.567 -0.025 1.00 12.35 N ATOM 1129 CA ASP A 72 6.766 15.878 1.045 1.00 74.31 C ATOM 1130 C ASP A 72 6.237 16.983 1.990 1.00 25.15 C ATOM 1131 O ASP A 72 6.490 16.947 3.198 1.00 13.21 O ATOM 1132 CB ASP A 72 8.110 16.301 0.404 1.00 42.11 C ATOM 1133 CG ASP A 72 9.127 16.868 1.408 1.00 35.15 C ATOM 1134 OD1 ASP A 72 9.727 16.083 2.161 1.00 2.22 O ATOM 1135 OD2 ASP A 72 9.330 18.102 1.446 1.00 61.23 O ATOM 0 H ASP A 72 6.203 15.640 -0.961 1.00 12.35 H new ATOM 0 HA ASP A 72 6.913 14.986 1.654 1.00 74.31 H new ATOM 0 HB2 ASP A 72 8.550 15.438 -0.096 1.00 42.11 H new ATOM 0 HB3 ASP A 72 7.916 17.050 -0.364 1.00 42.11 H new ATOM 1140 N LYS A 73 5.473 17.932 1.415 1.00 1.34 N ATOM 1141 CA LYS A 73 4.919 19.099 2.135 1.00 75.14 C ATOM 1142 C LYS A 73 3.821 18.695 3.142 1.00 51.35 C ATOM 1143 O LYS A 73 3.443 19.494 3.998 1.00 64.31 O ATOM 1144 CB LYS A 73 4.344 20.113 1.104 1.00 74.12 C ATOM 1145 CG LYS A 73 5.305 20.501 -0.063 1.00 63.22 C ATOM 1146 CD LYS A 73 6.124 21.785 0.187 1.00 42.01 C ATOM 1147 CE LYS A 73 7.077 21.700 1.390 1.00 62.23 C ATOM 1148 NZ LYS A 73 8.128 20.665 1.224 1.00 14.15 N ATOM 0 H LYS A 73 5.220 17.911 0.427 1.00 1.34 H new ATOM 0 HA LYS A 73 5.728 19.556 2.704 1.00 75.14 H new ATOM 0 HB2 LYS A 73 3.433 19.694 0.677 1.00 74.12 H new ATOM 0 HB3 LYS A 73 4.059 21.022 1.634 1.00 74.12 H new ATOM 0 HG2 LYS A 73 5.993 19.675 -0.241 1.00 63.22 H new ATOM 0 HG3 LYS A 73 4.719 20.630 -0.973 1.00 63.22 H new ATOM 0 HD2 LYS A 73 6.705 22.012 -0.707 1.00 42.01 H new ATOM 0 HD3 LYS A 73 5.437 22.617 0.340 1.00 42.01 H new ATOM 0 HE2 LYS A 73 7.551 22.670 1.541 1.00 62.23 H new ATOM 0 HE3 LYS A 73 6.500 21.484 2.289 1.00 62.23 H new ATOM 0 HZ1 LYS A 73 9.011 20.993 1.666 1.00 14.15 H new ATOM 0 HZ2 LYS A 73 7.820 19.782 1.679 1.00 14.15 H new ATOM 0 HZ3 LYS A 73 8.290 20.494 0.211 1.00 14.15 H new ATOM 1162 N LEU A 74 3.304 17.462 3.004 1.00 72.03 N ATOM 1163 CA LEU A 74 2.276 16.903 3.895 1.00 25.10 C ATOM 1164 C LEU A 74 2.896 16.471 5.235 1.00 70.50 C ATOM 1165 O LEU A 74 4.048 16.024 5.283 1.00 44.14 O ATOM 1166 CB LEU A 74 1.558 15.688 3.216 1.00 70.31 C ATOM 1167 CG LEU A 74 0.424 16.020 2.191 1.00 3.04 C ATOM 1168 CD1 LEU A 74 -0.756 16.739 2.883 1.00 74.01 C ATOM 1169 CD2 LEU A 74 0.957 16.838 0.996 1.00 20.52 C ATOM 0 H LEU A 74 3.591 16.821 2.264 1.00 72.03 H new ATOM 0 HA LEU A 74 1.537 17.680 4.088 1.00 25.10 H new ATOM 0 HB2 LEU A 74 2.313 15.090 2.705 1.00 70.31 H new ATOM 0 HB3 LEU A 74 1.133 15.063 4.001 1.00 70.31 H new ATOM 0 HG LEU A 74 0.054 15.075 1.794 1.00 3.04 H new ATOM 0 HD11 LEU A 74 -1.530 16.958 2.148 1.00 74.01 H new ATOM 0 HD12 LEU A 74 -1.167 16.097 3.662 1.00 74.01 H new ATOM 0 HD13 LEU A 74 -0.404 17.670 3.328 1.00 74.01 H new ATOM 0 HD21 LEU A 74 0.140 17.049 0.306 1.00 20.52 H new ATOM 0 HD22 LEU A 74 1.379 17.776 1.357 1.00 20.52 H new ATOM 0 HD23 LEU A 74 1.729 16.267 0.480 1.00 20.52 H new ATOM 1181 N GLU A 75 2.087 16.584 6.302 1.00 35.03 N ATOM 1182 CA GLU A 75 2.454 16.165 7.679 1.00 70.34 C ATOM 1183 C GLU A 75 2.574 14.630 7.773 1.00 35.44 C ATOM 1184 O GLU A 75 3.200 14.099 8.696 1.00 42.54 O ATOM 1185 CB GLU A 75 1.387 16.677 8.681 1.00 43.12 C ATOM 1186 CG GLU A 75 1.139 18.192 8.603 1.00 45.33 C ATOM 1187 CD GLU A 75 0.020 18.664 9.538 1.00 64.12 C ATOM 1188 OE1 GLU A 75 -1.167 18.501 9.180 1.00 51.04 O ATOM 1189 OE2 GLU A 75 0.314 19.194 10.632 1.00 14.12 O ATOM 0 H GLU A 75 1.146 16.973 6.239 1.00 35.03 H new ATOM 0 HA GLU A 75 3.423 16.598 7.928 1.00 70.34 H new ATOM 0 HB2 GLU A 75 0.448 16.155 8.496 1.00 43.12 H new ATOM 0 HB3 GLU A 75 1.700 16.421 9.693 1.00 43.12 H new ATOM 0 HG2 GLU A 75 2.060 18.719 8.853 1.00 45.33 H new ATOM 0 HG3 GLU A 75 0.886 18.461 7.577 1.00 45.33 H new ATOM 1196 N ASP A 76 1.920 13.955 6.809 1.00 44.44 N ATOM 1197 CA ASP A 76 1.969 12.501 6.605 1.00 53.30 C ATOM 1198 C ASP A 76 3.427 12.037 6.429 1.00 42.31 C ATOM 1199 O ASP A 76 3.903 11.143 7.131 1.00 62.24 O ATOM 1200 CB ASP A 76 1.135 12.128 5.334 1.00 34.22 C ATOM 1201 CG ASP A 76 -0.313 12.675 5.349 1.00 61.33 C ATOM 1202 OD1 ASP A 76 -0.501 13.895 5.129 1.00 52.45 O ATOM 1203 OD2 ASP A 76 -1.267 11.896 5.569 1.00 71.44 O ATOM 0 H ASP A 76 1.323 14.426 6.129 1.00 44.44 H new ATOM 0 HA ASP A 76 1.547 12.002 7.478 1.00 53.30 H new ATOM 0 HB2 ASP A 76 1.647 12.509 4.451 1.00 34.22 H new ATOM 0 HB3 ASP A 76 1.102 11.043 5.239 1.00 34.22 H new ATOM 1208 N VAL A 77 4.133 12.722 5.514 1.00 71.11 N ATOM 1209 CA VAL A 77 5.493 12.369 5.090 1.00 72.01 C ATOM 1210 C VAL A 77 6.554 12.947 6.054 1.00 24.33 C ATOM 1211 O VAL A 77 6.735 14.166 6.146 1.00 61.53 O ATOM 1212 CB VAL A 77 5.740 12.860 3.612 1.00 13.41 C ATOM 1213 CG1 VAL A 77 7.227 12.770 3.201 1.00 33.35 C ATOM 1214 CG2 VAL A 77 4.856 12.056 2.629 1.00 3.21 C ATOM 0 H VAL A 77 3.767 13.549 5.042 1.00 71.11 H new ATOM 0 HA VAL A 77 5.591 11.284 5.119 1.00 72.01 H new ATOM 0 HB VAL A 77 5.463 13.913 3.569 1.00 13.41 H new ATOM 0 HG11 VAL A 77 7.343 13.120 2.175 1.00 33.35 H new ATOM 0 HG12 VAL A 77 7.827 13.392 3.866 1.00 33.35 H new ATOM 0 HG13 VAL A 77 7.562 11.735 3.272 1.00 33.35 H new ATOM 0 HG21 VAL A 77 5.035 12.403 1.611 1.00 3.21 H new ATOM 0 HG22 VAL A 77 5.104 10.997 2.700 1.00 3.21 H new ATOM 0 HG23 VAL A 77 3.806 12.201 2.883 1.00 3.21 H new ATOM 1224 N VAL A 78 7.210 12.040 6.791 1.00 10.41 N ATOM 1225 CA VAL A 78 8.388 12.333 7.635 1.00 60.42 C ATOM 1226 C VAL A 78 9.663 12.375 6.751 1.00 21.42 C ATOM 1227 O VAL A 78 10.479 13.300 6.843 1.00 4.42 O ATOM 1228 CB VAL A 78 8.564 11.241 8.767 1.00 3.54 C ATOM 1229 CG1 VAL A 78 9.628 11.657 9.808 1.00 41.22 C ATOM 1230 CG2 VAL A 78 7.216 10.918 9.451 1.00 22.31 C ATOM 0 H VAL A 78 6.934 11.059 6.821 1.00 10.41 H new ATOM 0 HA VAL A 78 8.235 13.301 8.113 1.00 60.42 H new ATOM 0 HB VAL A 78 8.921 10.333 8.282 1.00 3.54 H new ATOM 0 HG11 VAL A 78 9.718 10.880 10.567 1.00 41.22 H new ATOM 0 HG12 VAL A 78 10.589 11.792 9.312 1.00 41.22 H new ATOM 0 HG13 VAL A 78 9.329 12.593 10.280 1.00 41.22 H new ATOM 0 HG21 VAL A 78 7.371 10.165 10.223 1.00 22.31 H new ATOM 0 HG22 VAL A 78 6.811 11.823 9.903 1.00 22.31 H new ATOM 0 HG23 VAL A 78 6.514 10.538 8.709 1.00 22.31 H new ATOM 1240 N LYS A 79 9.819 11.337 5.907 1.00 53.52 N ATOM 1241 CA LYS A 79 10.915 11.219 4.916 1.00 52.20 C ATOM 1242 C LYS A 79 10.326 10.978 3.530 1.00 53.11 C ATOM 1243 O LYS A 79 9.256 10.380 3.423 1.00 22.24 O ATOM 1244 CB LYS A 79 11.853 10.024 5.217 1.00 74.34 C ATOM 1245 CG LYS A 79 12.687 10.116 6.508 1.00 72.32 C ATOM 1246 CD LYS A 79 13.543 8.837 6.717 1.00 52.24 C ATOM 1247 CE LYS A 79 14.512 8.572 5.541 1.00 13.12 C ATOM 1248 NZ LYS A 79 15.051 7.189 5.556 1.00 4.24 N ATOM 0 H LYS A 79 9.179 10.543 5.891 1.00 53.52 H new ATOM 0 HA LYS A 79 11.483 12.148 4.966 1.00 52.20 H new ATOM 0 HB2 LYS A 79 11.248 9.119 5.265 1.00 74.34 H new ATOM 0 HB3 LYS A 79 12.537 9.906 4.376 1.00 74.34 H new ATOM 0 HG2 LYS A 79 13.338 10.989 6.462 1.00 72.32 H new ATOM 0 HG3 LYS A 79 12.025 10.257 7.362 1.00 72.32 H new ATOM 0 HD2 LYS A 79 14.115 8.934 7.640 1.00 52.24 H new ATOM 0 HD3 LYS A 79 12.883 7.978 6.840 1.00 52.24 H new ATOM 0 HE2 LYS A 79 13.993 8.747 4.599 1.00 13.12 H new ATOM 0 HE3 LYS A 79 15.338 9.282 5.586 1.00 13.12 H new ATOM 0 HZ1 LYS A 79 16.021 7.190 5.181 1.00 4.24 H new ATOM 0 HZ2 LYS A 79 15.057 6.829 6.532 1.00 4.24 H new ATOM 0 HZ3 LYS A 79 14.453 6.577 4.965 1.00 4.24 H new ATOM 1262 N VAL A 80 11.049 11.413 2.486 1.00 2.04 N ATOM 1263 CA VAL A 80 10.760 11.048 1.091 1.00 43.20 C ATOM 1264 C VAL A 80 12.099 10.972 0.313 1.00 1.20 C ATOM 1265 O VAL A 80 12.909 11.910 0.349 1.00 74.45 O ATOM 1266 CB VAL A 80 9.738 12.045 0.396 1.00 21.15 C ATOM 1267 CG1 VAL A 80 10.344 13.439 0.140 1.00 40.11 C ATOM 1268 CG2 VAL A 80 9.148 11.427 -0.896 1.00 1.25 C ATOM 0 H VAL A 80 11.854 12.031 2.587 1.00 2.04 H new ATOM 0 HA VAL A 80 10.270 10.075 1.080 1.00 43.20 H new ATOM 0 HB VAL A 80 8.919 12.198 1.099 1.00 21.15 H new ATOM 0 HG11 VAL A 80 9.600 14.077 -0.337 1.00 40.11 H new ATOM 0 HG12 VAL A 80 10.649 13.883 1.088 1.00 40.11 H new ATOM 0 HG13 VAL A 80 11.212 13.344 -0.512 1.00 40.11 H new ATOM 0 HG21 VAL A 80 8.452 12.131 -1.351 1.00 1.25 H new ATOM 0 HG22 VAL A 80 9.954 11.210 -1.597 1.00 1.25 H new ATOM 0 HG23 VAL A 80 8.622 10.504 -0.651 1.00 1.25 H new ATOM 1278 N GLN A 81 12.351 9.835 -0.345 1.00 34.53 N ATOM 1279 CA GLN A 81 13.595 9.602 -1.100 1.00 1.43 C ATOM 1280 C GLN A 81 13.339 8.624 -2.254 1.00 61.03 C ATOM 1281 O GLN A 81 12.680 7.597 -2.071 1.00 32.31 O ATOM 1282 CB GLN A 81 14.709 9.061 -0.154 1.00 54.25 C ATOM 1283 CG GLN A 81 16.080 8.797 -0.822 1.00 62.10 C ATOM 1284 CD GLN A 81 16.672 10.023 -1.532 1.00 3.54 C ATOM 1285 OE1 GLN A 81 16.445 10.242 -2.728 1.00 11.34 O ATOM 1286 NE2 GLN A 81 17.421 10.838 -0.803 1.00 30.43 N ATOM 0 H GLN A 81 11.701 9.049 -0.371 1.00 34.53 H new ATOM 0 HA GLN A 81 13.934 10.549 -1.521 1.00 1.43 H new ATOM 0 HB2 GLN A 81 14.851 9.775 0.657 1.00 54.25 H new ATOM 0 HB3 GLN A 81 14.359 8.132 0.297 1.00 54.25 H new ATOM 0 HG2 GLN A 81 16.783 8.454 -0.063 1.00 62.10 H new ATOM 0 HG3 GLN A 81 15.971 7.988 -1.544 1.00 62.10 H new ATOM 0 HE21 GLN A 81 17.591 10.631 0.181 1.00 30.43 H new ATOM 0 HE22 GLN A 81 17.828 11.672 -1.226 1.00 30.43 H new ATOM 1295 N ARG A 82 13.885 8.949 -3.442 1.00 61.24 N ATOM 1296 CA ARG A 82 13.756 8.117 -4.649 1.00 5.43 C ATOM 1297 C ARG A 82 15.049 7.323 -4.847 1.00 35.54 C ATOM 1298 O ARG A 82 16.000 7.806 -5.468 1.00 5.15 O ATOM 1299 CB ARG A 82 13.438 8.976 -5.910 1.00 2.53 C ATOM 1300 CG ARG A 82 12.248 9.952 -5.737 1.00 23.22 C ATOM 1301 CD ARG A 82 12.655 11.339 -5.210 1.00 44.23 C ATOM 1302 NE ARG A 82 13.206 12.200 -6.270 1.00 41.41 N ATOM 1303 CZ ARG A 82 13.196 13.546 -6.258 1.00 3.33 C ATOM 1304 NH1 ARG A 82 12.683 14.216 -5.225 1.00 51.13 N ATOM 1305 NH2 ARG A 82 13.651 14.222 -7.305 1.00 11.53 N ATOM 0 H ARG A 82 14.429 9.799 -3.589 1.00 61.24 H new ATOM 0 HA ARG A 82 12.920 7.431 -4.513 1.00 5.43 H new ATOM 0 HB2 ARG A 82 14.326 9.549 -6.177 1.00 2.53 H new ATOM 0 HB3 ARG A 82 13.226 8.308 -6.745 1.00 2.53 H new ATOM 0 HG2 ARG A 82 11.745 10.071 -6.697 1.00 23.22 H new ATOM 0 HG3 ARG A 82 11.525 9.511 -5.051 1.00 23.22 H new ATOM 0 HD2 ARG A 82 11.787 11.825 -4.765 1.00 44.23 H new ATOM 0 HD3 ARG A 82 13.395 11.222 -4.419 1.00 44.23 H new ATOM 0 HE ARG A 82 13.628 11.740 -7.077 1.00 41.41 H new ATOM 0 HH11 ARG A 82 12.292 13.708 -4.431 1.00 51.13 H new ATOM 0 HH12 ARG A 82 12.682 15.236 -5.229 1.00 51.13 H new ATOM 0 HH21 ARG A 82 14.008 13.722 -8.119 1.00 11.53 H new ATOM 0 HH22 ARG A 82 13.643 15.242 -7.296 1.00 11.53 H new ATOM 1319 N ASN A 83 15.085 6.123 -4.272 1.00 1.33 N ATOM 1320 CA ASN A 83 16.247 5.223 -4.346 1.00 52.50 C ATOM 1321 C ASN A 83 16.097 4.347 -5.591 1.00 43.03 C ATOM 1322 O ASN A 83 15.261 3.460 -5.604 1.00 12.10 O ATOM 1323 CB ASN A 83 16.328 4.338 -3.069 1.00 10.12 C ATOM 1324 CG ASN A 83 16.295 5.156 -1.781 1.00 12.42 C ATOM 1325 OD1 ASN A 83 17.334 5.566 -1.260 1.00 75.01 O ATOM 1326 ND2 ASN A 83 15.093 5.423 -1.272 1.00 4.31 N ATOM 0 H ASN A 83 14.306 5.740 -3.736 1.00 1.33 H new ATOM 0 HA ASN A 83 17.166 5.806 -4.409 1.00 52.50 H new ATOM 0 HB2 ASN A 83 15.497 3.633 -3.068 1.00 10.12 H new ATOM 0 HB3 ASN A 83 17.245 3.750 -3.097 1.00 10.12 H new ATOM 0 HD21 ASN A 83 15.011 5.984 -0.424 1.00 4.31 H new ATOM 0 HD22 ASN A 83 14.254 5.067 -1.731 1.00 4.31 H new ATOM 1333 N GLN A 84 16.893 4.581 -6.636 1.00 42.31 N ATOM 1334 CA GLN A 84 16.776 3.811 -7.887 1.00 51.05 C ATOM 1335 C GLN A 84 17.584 2.514 -7.742 1.00 34.32 C ATOM 1336 O GLN A 84 18.802 2.489 -7.931 1.00 1.41 O ATOM 1337 CB GLN A 84 17.255 4.652 -9.097 1.00 1.33 C ATOM 1338 CG GLN A 84 17.230 3.909 -10.453 1.00 74.41 C ATOM 1339 CD GLN A 84 17.673 4.750 -11.659 1.00 22.01 C ATOM 1340 OE1 GLN A 84 17.229 4.520 -12.786 1.00 75.11 O ATOM 1341 NE2 GLN A 84 18.559 5.722 -11.452 1.00 42.12 N ATOM 0 H GLN A 84 17.624 5.293 -6.647 1.00 42.31 H new ATOM 0 HA GLN A 84 15.732 3.560 -8.072 1.00 51.05 H new ATOM 0 HB2 GLN A 84 16.629 5.541 -9.174 1.00 1.33 H new ATOM 0 HB3 GLN A 84 18.272 4.994 -8.904 1.00 1.33 H new ATOM 0 HG2 GLN A 84 17.875 3.033 -10.383 1.00 74.41 H new ATOM 0 HG3 GLN A 84 16.218 3.546 -10.633 1.00 74.41 H new ATOM 0 HE21 GLN A 84 18.914 5.896 -10.512 1.00 42.12 H new ATOM 0 HE22 GLN A 84 18.882 6.292 -12.233 1.00 42.12 H new ATOM 1350 N SER A 85 16.872 1.454 -7.348 1.00 14.31 N ATOM 1351 CA SER A 85 17.448 0.143 -7.022 1.00 5.13 C ATOM 1352 C SER A 85 16.486 -0.967 -7.471 1.00 51.10 C ATOM 1353 O SER A 85 15.345 -0.702 -7.857 1.00 62.40 O ATOM 1354 CB SER A 85 17.726 0.066 -5.495 1.00 2.23 C ATOM 1355 OG SER A 85 18.330 -1.168 -5.120 1.00 24.32 O ATOM 0 H SER A 85 15.858 1.482 -7.244 1.00 14.31 H new ATOM 0 HA SER A 85 18.393 0.007 -7.549 1.00 5.13 H new ATOM 0 HB2 SER A 85 18.377 0.890 -5.204 1.00 2.23 H new ATOM 0 HB3 SER A 85 16.790 0.191 -4.950 1.00 2.23 H new ATOM 0 HG SER A 85 18.489 -1.174 -4.153 1.00 24.32 H new ATOM 1361 N ASP A 86 16.976 -2.207 -7.404 1.00 70.20 N ATOM 1362 CA ASP A 86 16.216 -3.419 -7.758 1.00 53.22 C ATOM 1363 C ASP A 86 15.146 -3.728 -6.676 1.00 13.20 C ATOM 1364 O ASP A 86 15.307 -3.314 -5.517 1.00 73.41 O ATOM 1365 CB ASP A 86 17.204 -4.608 -7.921 1.00 53.03 C ATOM 1366 CG ASP A 86 18.203 -4.397 -9.075 1.00 3.22 C ATOM 1367 OD1 ASP A 86 19.164 -3.612 -8.907 1.00 65.34 O ATOM 1368 OD2 ASP A 86 18.040 -5.018 -10.144 1.00 75.14 O ATOM 0 H ASP A 86 17.928 -2.406 -7.097 1.00 70.20 H new ATOM 0 HA ASP A 86 15.693 -3.259 -8.701 1.00 53.22 H new ATOM 0 HB2 ASP A 86 17.754 -4.748 -6.991 1.00 53.03 H new ATOM 0 HB3 ASP A 86 16.639 -5.523 -8.098 1.00 53.03 H new ATOM 1373 N PRO A 87 14.042 -4.483 -7.025 1.00 65.44 N ATOM 1374 CA PRO A 87 12.939 -4.814 -6.076 1.00 63.22 C ATOM 1375 C PRO A 87 13.293 -5.926 -5.053 1.00 64.32 C ATOM 1376 O PRO A 87 12.396 -6.525 -4.446 1.00 34.15 O ATOM 1377 CB PRO A 87 11.797 -5.252 -7.023 1.00 71.04 C ATOM 1378 CG PRO A 87 12.500 -5.864 -8.195 1.00 12.21 C ATOM 1379 CD PRO A 87 13.777 -5.067 -8.378 1.00 53.42 C ATOM 0 HA PRO A 87 12.690 -3.968 -5.435 1.00 63.22 H new ATOM 0 HB2 PRO A 87 11.133 -5.968 -6.540 1.00 71.04 H new ATOM 0 HB3 PRO A 87 11.184 -4.403 -7.326 1.00 71.04 H new ATOM 0 HG2 PRO A 87 12.719 -6.916 -8.013 1.00 12.21 H new ATOM 0 HG3 PRO A 87 11.880 -5.818 -9.090 1.00 12.21 H new ATOM 0 HD2 PRO A 87 14.600 -5.703 -8.706 1.00 53.42 H new ATOM 0 HD3 PRO A 87 13.656 -4.288 -9.131 1.00 53.42 H new ATOM 1387 N THR A 88 14.596 -6.154 -4.830 1.00 15.12 N ATOM 1388 CA THR A 88 15.120 -7.107 -3.828 1.00 34.20 C ATOM 1389 C THR A 88 14.867 -6.634 -2.380 1.00 31.30 C ATOM 1390 O THR A 88 15.152 -7.373 -1.438 1.00 73.41 O ATOM 1391 CB THR A 88 16.650 -7.321 -4.070 1.00 45.21 C ATOM 1392 OG1 THR A 88 17.333 -6.053 -4.013 1.00 72.40 O ATOM 1393 CG2 THR A 88 16.910 -7.982 -5.437 1.00 1.33 C ATOM 0 H THR A 88 15.332 -5.675 -5.348 1.00 15.12 H new ATOM 0 HA THR A 88 14.587 -8.050 -3.950 1.00 34.20 H new ATOM 0 HB THR A 88 17.028 -7.982 -3.290 1.00 45.21 H new ATOM 0 HG1 THR A 88 18.292 -6.191 -4.163 1.00 72.40 H new ATOM 0 HG21 THR A 88 17.982 -8.118 -5.577 1.00 1.33 H new ATOM 0 HG22 THR A 88 16.413 -8.952 -5.473 1.00 1.33 H new ATOM 0 HG23 THR A 88 16.518 -7.345 -6.230 1.00 1.33 H new ATOM 1401 N MET A 89 14.312 -5.408 -2.238 1.00 13.32 N ATOM 1402 CA MET A 89 13.943 -4.794 -0.951 1.00 1.14 C ATOM 1403 C MET A 89 12.965 -5.668 -0.123 1.00 34.31 C ATOM 1404 O MET A 89 12.982 -5.599 1.113 1.00 15.10 O ATOM 1405 CB MET A 89 13.328 -3.397 -1.204 1.00 20.11 C ATOM 1406 CG MET A 89 14.277 -2.393 -1.871 1.00 61.44 C ATOM 1407 SD MET A 89 15.720 -2.008 -0.852 1.00 34.20 S ATOM 1408 CE MET A 89 16.514 -0.725 -1.829 1.00 23.13 C ATOM 0 H MET A 89 14.105 -4.808 -3.037 1.00 13.32 H new ATOM 0 HA MET A 89 14.855 -4.703 -0.361 1.00 1.14 H new ATOM 0 HB2 MET A 89 12.443 -3.512 -1.830 1.00 20.11 H new ATOM 0 HB3 MET A 89 12.994 -2.984 -0.252 1.00 20.11 H new ATOM 0 HG2 MET A 89 14.611 -2.796 -2.827 1.00 61.44 H new ATOM 0 HG3 MET A 89 13.733 -1.473 -2.085 1.00 61.44 H new ATOM 0 HE1 MET A 89 17.503 -0.516 -1.420 1.00 23.13 H new ATOM 0 HE2 MET A 89 16.612 -1.062 -2.861 1.00 23.13 H new ATOM 0 HE3 MET A 89 15.910 0.182 -1.799 1.00 23.13 H new ATOM 1418 N PHE A 90 12.115 -6.470 -0.817 1.00 1.33 N ATOM 1419 CA PHE A 90 11.223 -7.464 -0.167 1.00 64.33 C ATOM 1420 C PHE A 90 12.046 -8.469 0.674 1.00 51.34 C ATOM 1421 O PHE A 90 11.813 -8.623 1.869 1.00 54.11 O ATOM 1422 CB PHE A 90 10.377 -8.249 -1.219 1.00 64.22 C ATOM 1423 CG PHE A 90 9.252 -7.452 -1.886 1.00 41.40 C ATOM 1424 CD1 PHE A 90 9.513 -6.586 -2.945 1.00 73.41 C ATOM 1425 CD2 PHE A 90 7.926 -7.582 -1.454 1.00 43.52 C ATOM 1426 CE1 PHE A 90 8.493 -5.880 -3.551 1.00 42.43 C ATOM 1427 CE2 PHE A 90 6.906 -6.873 -2.063 1.00 43.15 C ATOM 1428 CZ PHE A 90 7.189 -6.023 -3.112 1.00 4.42 C ATOM 0 H PHE A 90 12.030 -6.446 -1.833 1.00 1.33 H new ATOM 0 HA PHE A 90 10.546 -6.911 0.484 1.00 64.33 H new ATOM 0 HB2 PHE A 90 11.047 -8.619 -1.995 1.00 64.22 H new ATOM 0 HB3 PHE A 90 9.941 -9.121 -0.732 1.00 64.22 H new ATOM 0 HD1 PHE A 90 10.527 -6.465 -3.297 1.00 73.41 H new ATOM 0 HD2 PHE A 90 7.696 -8.246 -0.633 1.00 43.52 H new ATOM 0 HE1 PHE A 90 8.714 -5.213 -4.371 1.00 42.43 H new ATOM 0 HE2 PHE A 90 5.889 -6.985 -1.717 1.00 43.15 H new ATOM 0 HZ PHE A 90 6.394 -5.470 -3.590 1.00 4.42 H new ATOM 1438 N ASN A 91 13.028 -9.114 0.013 1.00 60.13 N ATOM 1439 CA ASN A 91 13.915 -10.119 0.635 1.00 3.21 C ATOM 1440 C ASN A 91 14.856 -9.461 1.658 1.00 4.41 C ATOM 1441 O ASN A 91 15.119 -10.028 2.732 1.00 22.44 O ATOM 1442 CB ASN A 91 14.729 -10.857 -0.464 1.00 23.34 C ATOM 1443 CG ASN A 91 15.698 -11.908 0.096 1.00 14.32 C ATOM 1444 OD1 ASN A 91 15.325 -13.061 0.312 1.00 11.35 O ATOM 1445 ND2 ASN A 91 16.947 -11.514 0.333 1.00 0.23 N ATOM 0 H ASN A 91 13.230 -8.952 -0.974 1.00 60.13 H new ATOM 0 HA ASN A 91 13.300 -10.846 1.166 1.00 3.21 H new ATOM 0 HB2 ASN A 91 14.038 -11.342 -1.153 1.00 23.34 H new ATOM 0 HB3 ASN A 91 15.293 -10.124 -1.041 1.00 23.34 H new ATOM 0 HD21 ASN A 91 17.629 -12.175 0.705 1.00 0.23 H new ATOM 0 HD22 ASN A 91 17.223 -10.551 0.143 1.00 0.23 H new ATOM 1452 N LYS A 92 15.318 -8.244 1.305 1.00 74.40 N ATOM 1453 CA LYS A 92 16.275 -7.464 2.108 1.00 12.22 C ATOM 1454 C LYS A 92 15.764 -7.242 3.543 1.00 60.24 C ATOM 1455 O LYS A 92 16.517 -7.406 4.507 1.00 1.34 O ATOM 1456 CB LYS A 92 16.576 -6.107 1.414 1.00 14.11 C ATOM 1457 CG LYS A 92 17.673 -5.262 2.099 1.00 12.12 C ATOM 1458 CD LYS A 92 19.040 -5.989 2.141 1.00 33.53 C ATOM 1459 CE LYS A 92 20.128 -5.184 2.866 1.00 42.12 C ATOM 1460 NZ LYS A 92 21.425 -5.914 2.903 1.00 23.32 N ATOM 0 H LYS A 92 15.033 -7.773 0.446 1.00 74.40 H new ATOM 0 HA LYS A 92 17.200 -8.037 2.178 1.00 12.22 H new ATOM 0 HB2 LYS A 92 16.875 -6.300 0.384 1.00 14.11 H new ATOM 0 HB3 LYS A 92 15.657 -5.522 1.375 1.00 14.11 H new ATOM 0 HG2 LYS A 92 17.784 -4.317 1.568 1.00 12.12 H new ATOM 0 HG3 LYS A 92 17.361 -5.022 3.115 1.00 12.12 H new ATOM 0 HD2 LYS A 92 18.918 -6.952 2.637 1.00 33.53 H new ATOM 0 HD3 LYS A 92 19.367 -6.195 1.122 1.00 33.53 H new ATOM 0 HE2 LYS A 92 20.265 -4.225 2.366 1.00 42.12 H new ATOM 0 HE3 LYS A 92 19.803 -4.969 3.884 1.00 42.12 H new ATOM 0 HZ1 LYS A 92 22.134 -5.338 3.401 1.00 23.32 H new ATOM 0 HZ2 LYS A 92 21.301 -6.818 3.403 1.00 23.32 H new ATOM 0 HZ3 LYS A 92 21.748 -6.097 1.932 1.00 23.32 H new ATOM 1474 N ILE A 93 14.481 -6.869 3.669 1.00 33.11 N ATOM 1475 CA ILE A 93 13.852 -6.686 4.984 1.00 50.52 C ATOM 1476 C ILE A 93 13.402 -8.022 5.587 1.00 2.22 C ATOM 1477 O ILE A 93 13.427 -8.157 6.795 1.00 3.20 O ATOM 1478 CB ILE A 93 12.625 -5.705 4.941 1.00 13.04 C ATOM 1479 CG1 ILE A 93 11.427 -6.318 4.138 1.00 3.11 C ATOM 1480 CG2 ILE A 93 13.060 -4.345 4.355 1.00 35.25 C ATOM 1481 CD1 ILE A 93 10.137 -5.518 4.169 1.00 61.15 C ATOM 0 H ILE A 93 13.862 -6.689 2.879 1.00 33.11 H new ATOM 0 HA ILE A 93 14.622 -6.243 5.615 1.00 50.52 H new ATOM 0 HB ILE A 93 12.273 -5.547 5.961 1.00 13.04 H new ATOM 0 HG12 ILE A 93 11.734 -6.439 3.099 1.00 3.11 H new ATOM 0 HG13 ILE A 93 11.224 -7.315 4.528 1.00 3.11 H new ATOM 0 HG21 ILE A 93 12.205 -3.670 4.328 1.00 35.25 H new ATOM 0 HG22 ILE A 93 13.843 -3.914 4.979 1.00 35.25 H new ATOM 0 HG23 ILE A 93 13.440 -4.489 3.344 1.00 35.25 H new ATOM 0 HD11 ILE A 93 9.376 -6.032 3.582 1.00 61.15 H new ATOM 0 HD12 ILE A 93 9.795 -5.418 5.199 1.00 61.15 H new ATOM 0 HD13 ILE A 93 10.313 -4.528 3.748 1.00 61.15 H new ATOM 1493 N ALA A 94 13.001 -8.988 4.725 1.00 41.13 N ATOM 1494 CA ALA A 94 12.358 -10.254 5.154 1.00 11.22 C ATOM 1495 C ALA A 94 13.261 -11.088 6.071 1.00 63.53 C ATOM 1496 O ALA A 94 12.773 -11.730 7.005 1.00 54.20 O ATOM 1497 CB ALA A 94 11.930 -11.067 3.926 1.00 34.55 C ATOM 0 H ALA A 94 13.114 -8.912 3.714 1.00 41.13 H new ATOM 0 HA ALA A 94 11.476 -9.992 5.738 1.00 11.22 H new ATOM 0 HB1 ALA A 94 11.459 -11.995 4.250 1.00 34.55 H new ATOM 0 HB2 ALA A 94 11.221 -10.487 3.335 1.00 34.55 H new ATOM 0 HB3 ALA A 94 12.806 -11.297 3.319 1.00 34.55 H new ATOM 1503 N VAL A 95 14.582 -11.043 5.811 1.00 14.32 N ATOM 1504 CA VAL A 95 15.578 -11.730 6.656 1.00 13.41 C ATOM 1505 C VAL A 95 15.629 -11.124 8.082 1.00 71.13 C ATOM 1506 O VAL A 95 15.845 -11.843 9.055 1.00 24.30 O ATOM 1507 CB VAL A 95 17.004 -11.714 5.998 1.00 1.31 C ATOM 1508 CG1 VAL A 95 16.991 -12.461 4.646 1.00 71.21 C ATOM 1509 CG2 VAL A 95 17.545 -10.274 5.832 1.00 20.42 C ATOM 0 H VAL A 95 14.984 -10.538 5.022 1.00 14.32 H new ATOM 0 HA VAL A 95 15.259 -12.769 6.742 1.00 13.41 H new ATOM 0 HB VAL A 95 17.682 -12.237 6.672 1.00 1.31 H new ATOM 0 HG11 VAL A 95 17.989 -12.438 4.208 1.00 71.21 H new ATOM 0 HG12 VAL A 95 16.689 -13.496 4.805 1.00 71.21 H new ATOM 0 HG13 VAL A 95 16.286 -11.977 3.970 1.00 71.21 H new ATOM 0 HG21 VAL A 95 18.533 -10.307 5.373 1.00 20.42 H new ATOM 0 HG22 VAL A 95 16.869 -9.702 5.196 1.00 20.42 H new ATOM 0 HG23 VAL A 95 17.614 -9.796 6.809 1.00 20.42 H new ATOM 1519 N PHE A 96 15.417 -9.804 8.184 1.00 63.34 N ATOM 1520 CA PHE A 96 15.313 -9.091 9.474 1.00 61.41 C ATOM 1521 C PHE A 96 13.865 -9.147 10.011 1.00 65.04 C ATOM 1522 O PHE A 96 13.640 -8.970 11.214 1.00 50.24 O ATOM 1523 CB PHE A 96 15.743 -7.605 9.304 1.00 62.15 C ATOM 1524 CG PHE A 96 17.204 -7.403 8.889 1.00 70.43 C ATOM 1525 CD1 PHE A 96 18.237 -7.545 9.820 1.00 54.54 C ATOM 1526 CD2 PHE A 96 17.549 -7.073 7.574 1.00 53.35 C ATOM 1527 CE1 PHE A 96 19.558 -7.363 9.449 1.00 42.44 C ATOM 1528 CE2 PHE A 96 18.873 -6.894 7.205 1.00 2.12 C ATOM 1529 CZ PHE A 96 19.875 -7.037 8.143 1.00 73.11 C ATOM 0 H PHE A 96 15.312 -9.195 7.373 1.00 63.34 H new ATOM 0 HA PHE A 96 15.976 -9.581 10.187 1.00 61.41 H new ATOM 0 HB2 PHE A 96 15.100 -7.138 8.558 1.00 62.15 H new ATOM 0 HB3 PHE A 96 15.571 -7.082 10.245 1.00 62.15 H new ATOM 0 HD1 PHE A 96 18.001 -7.800 10.843 1.00 54.54 H new ATOM 0 HD2 PHE A 96 16.771 -6.956 6.834 1.00 53.35 H new ATOM 0 HE1 PHE A 96 20.343 -7.476 10.182 1.00 42.44 H new ATOM 0 HE2 PHE A 96 19.120 -6.643 6.184 1.00 2.12 H new ATOM 0 HZ PHE A 96 20.907 -6.894 7.857 1.00 73.11 H new ATOM 1692 N ASP B 9 -4.852 -10.563 15.973 1.00 51.34 N ATOM 1693 CA ASP B 9 -5.360 -9.228 16.327 1.00 12.41 C ATOM 1694 C ASP B 9 -5.558 -8.449 15.034 1.00 54.32 C ATOM 1695 O ASP B 9 -6.621 -7.853 14.799 1.00 62.44 O ATOM 1696 CB ASP B 9 -4.362 -8.497 17.270 1.00 42.13 C ATOM 1697 CG ASP B 9 -4.891 -7.138 17.766 1.00 51.41 C ATOM 1698 OD1 ASP B 9 -5.712 -7.123 18.714 1.00 3.21 O ATOM 1699 OD2 ASP B 9 -4.498 -6.084 17.222 1.00 43.33 O ATOM 0 HA ASP B 9 -6.307 -9.310 16.861 1.00 12.41 H new ATOM 0 HB2 ASP B 9 -4.149 -9.134 18.129 1.00 42.13 H new ATOM 0 HB3 ASP B 9 -3.419 -8.344 16.745 1.00 42.13 H new ATOM 1704 N ASN B 10 -4.516 -8.472 14.196 1.00 73.21 N ATOM 1705 CA ASN B 10 -4.596 -7.976 12.822 1.00 65.14 C ATOM 1706 C ASN B 10 -5.242 -9.054 11.927 1.00 15.10 C ATOM 1707 O ASN B 10 -4.847 -10.224 11.951 1.00 51.42 O ATOM 1708 CB ASN B 10 -3.195 -7.563 12.281 1.00 63.22 C ATOM 1709 CG ASN B 10 -2.171 -8.710 12.258 1.00 61.20 C ATOM 1710 OD1 ASN B 10 -1.455 -8.936 13.232 1.00 51.24 O ATOM 1711 ND2 ASN B 10 -2.108 -9.455 11.155 1.00 51.44 N ATOM 0 H ASN B 10 -3.597 -8.834 14.452 1.00 73.21 H new ATOM 0 HA ASN B 10 -5.217 -7.080 12.808 1.00 65.14 H new ATOM 0 HB2 ASN B 10 -3.308 -7.170 11.271 1.00 63.22 H new ATOM 0 HB3 ASN B 10 -2.804 -6.753 12.896 1.00 63.22 H new ATOM 0 HD21 ASN B 10 -1.454 -10.236 11.104 1.00 51.44 H new ATOM 0 HD22 ASN B 10 -2.714 -9.244 10.362 1.00 51.44 H new ATOM 1718 N VAL B 11 -6.275 -8.653 11.191 1.00 51.44 N ATOM 1719 CA VAL B 11 -6.867 -9.457 10.122 1.00 22.10 C ATOM 1720 C VAL B 11 -6.126 -9.163 8.809 1.00 35.44 C ATOM 1721 O VAL B 11 -5.595 -8.064 8.602 1.00 54.45 O ATOM 1722 CB VAL B 11 -8.411 -9.181 9.953 1.00 73.25 C ATOM 1723 CG1 VAL B 11 -9.178 -9.590 11.233 1.00 23.53 C ATOM 1724 CG2 VAL B 11 -8.692 -7.702 9.580 1.00 10.20 C ATOM 0 H VAL B 11 -6.731 -7.750 11.321 1.00 51.44 H new ATOM 0 HA VAL B 11 -6.762 -10.509 10.387 1.00 22.10 H new ATOM 0 HB VAL B 11 -8.771 -9.794 9.126 1.00 73.25 H new ATOM 0 HG11 VAL B 11 -10.242 -9.393 11.099 1.00 23.53 H new ATOM 0 HG12 VAL B 11 -9.027 -10.653 11.424 1.00 23.53 H new ATOM 0 HG13 VAL B 11 -8.806 -9.013 12.080 1.00 23.53 H new ATOM 0 HG21 VAL B 11 -9.766 -7.552 9.472 1.00 10.20 H new ATOM 0 HG22 VAL B 11 -8.311 -7.050 10.366 1.00 10.20 H new ATOM 0 HG23 VAL B 11 -8.196 -7.464 8.639 1.00 10.20 H new ATOM 1734 N ILE B 12 -6.082 -10.179 7.958 1.00 15.41 N ATOM 1735 CA ILE B 12 -5.418 -10.145 6.654 1.00 10.30 C ATOM 1736 C ILE B 12 -6.493 -9.848 5.593 1.00 22.21 C ATOM 1737 O ILE B 12 -7.216 -10.766 5.167 1.00 61.43 O ATOM 1738 CB ILE B 12 -4.713 -11.536 6.343 1.00 13.43 C ATOM 1739 CG1 ILE B 12 -3.921 -12.073 7.583 1.00 53.04 C ATOM 1740 CG2 ILE B 12 -3.808 -11.468 5.094 1.00 50.14 C ATOM 1741 CD1 ILE B 12 -2.807 -11.183 8.090 1.00 33.23 C ATOM 0 H ILE B 12 -6.519 -11.078 8.158 1.00 15.41 H new ATOM 0 HA ILE B 12 -4.645 -9.376 6.647 1.00 10.30 H new ATOM 0 HB ILE B 12 -5.511 -12.245 6.124 1.00 13.43 H new ATOM 0 HG12 ILE B 12 -4.627 -12.239 8.397 1.00 53.04 H new ATOM 0 HG13 ILE B 12 -3.497 -13.044 7.327 1.00 53.04 H new ATOM 0 HG21 ILE B 12 -3.349 -12.442 4.923 1.00 50.14 H new ATOM 0 HG22 ILE B 12 -4.406 -11.192 4.226 1.00 50.14 H new ATOM 0 HG23 ILE B 12 -3.028 -10.722 5.250 1.00 50.14 H new ATOM 0 HD11 ILE B 12 -2.328 -11.653 8.949 1.00 33.23 H new ATOM 0 HD12 ILE B 12 -2.071 -11.036 7.300 1.00 33.23 H new ATOM 0 HD13 ILE B 12 -3.219 -10.218 8.387 1.00 33.23 H new ATOM 1753 N LEU B 13 -6.634 -8.569 5.194 1.00 74.22 N ATOM 1754 CA LEU B 13 -7.669 -8.184 4.220 1.00 13.20 C ATOM 1755 C LEU B 13 -7.125 -8.386 2.810 1.00 43.05 C ATOM 1756 O LEU B 13 -6.584 -7.458 2.208 1.00 62.44 O ATOM 1757 CB LEU B 13 -8.120 -6.704 4.398 1.00 54.31 C ATOM 1758 CG LEU B 13 -8.771 -6.326 5.756 1.00 43.14 C ATOM 1759 CD1 LEU B 13 -9.345 -4.898 5.700 1.00 52.21 C ATOM 1760 CD2 LEU B 13 -9.850 -7.342 6.174 1.00 15.22 C ATOM 0 H LEU B 13 -6.054 -7.798 5.525 1.00 74.22 H new ATOM 0 HA LEU B 13 -8.542 -8.815 4.389 1.00 13.20 H new ATOM 0 HB2 LEU B 13 -7.250 -6.064 4.249 1.00 54.31 H new ATOM 0 HB3 LEU B 13 -8.829 -6.468 3.605 1.00 54.31 H new ATOM 0 HG LEU B 13 -7.992 -6.355 6.518 1.00 43.14 H new ATOM 0 HD11 LEU B 13 -9.797 -4.650 6.660 1.00 52.21 H new ATOM 0 HD12 LEU B 13 -8.543 -4.192 5.483 1.00 52.21 H new ATOM 0 HD13 LEU B 13 -10.101 -4.840 4.917 1.00 52.21 H new ATOM 0 HD21 LEU B 13 -10.281 -7.042 7.129 1.00 15.22 H new ATOM 0 HD22 LEU B 13 -10.633 -7.374 5.416 1.00 15.22 H new ATOM 0 HD23 LEU B 13 -9.401 -8.330 6.273 1.00 15.22 H new ATOM 1772 N GLU B 14 -7.291 -9.610 2.289 1.00 42.52 N ATOM 1773 CA GLU B 14 -6.753 -9.990 0.986 1.00 2.30 C ATOM 1774 C GLU B 14 -7.783 -9.614 -0.073 1.00 61.41 C ATOM 1775 O GLU B 14 -8.816 -10.274 -0.225 1.00 42.32 O ATOM 1776 CB GLU B 14 -6.412 -11.522 0.948 1.00 64.32 C ATOM 1777 CG GLU B 14 -5.508 -11.997 -0.238 1.00 52.12 C ATOM 1778 CD GLU B 14 -6.170 -11.963 -1.641 1.00 51.43 C ATOM 1779 OE1 GLU B 14 -6.876 -12.927 -2.017 1.00 34.35 O ATOM 1780 OE2 GLU B 14 -5.984 -10.974 -2.377 1.00 3.42 O ATOM 0 H GLU B 14 -7.800 -10.357 2.761 1.00 42.52 H new ATOM 0 HA GLU B 14 -5.820 -9.461 0.790 1.00 2.30 H new ATOM 0 HB2 GLU B 14 -5.918 -11.787 1.883 1.00 64.32 H new ATOM 0 HB3 GLU B 14 -7.347 -12.081 0.912 1.00 64.32 H new ATOM 0 HG2 GLU B 14 -4.614 -11.373 -0.262 1.00 52.12 H new ATOM 0 HG3 GLU B 14 -5.180 -13.016 -0.035 1.00 52.12 H new ATOM 1787 N LEU B 15 -7.503 -8.512 -0.765 1.00 72.35 N ATOM 1788 CA LEU B 15 -8.270 -8.080 -1.923 1.00 51.53 C ATOM 1789 C LEU B 15 -7.356 -8.060 -3.151 1.00 3.21 C ATOM 1790 O LEU B 15 -6.300 -7.416 -3.164 1.00 42.14 O ATOM 1791 CB LEU B 15 -8.996 -6.724 -1.641 1.00 73.33 C ATOM 1792 CG LEU B 15 -8.184 -5.602 -0.897 1.00 50.44 C ATOM 1793 CD1 LEU B 15 -7.269 -4.803 -1.839 1.00 72.22 C ATOM 1794 CD2 LEU B 15 -9.122 -4.671 -0.118 1.00 10.34 C ATOM 0 H LEU B 15 -6.729 -7.890 -0.532 1.00 72.35 H new ATOM 0 HA LEU B 15 -9.071 -8.788 -2.135 1.00 51.53 H new ATOM 0 HB2 LEU B 15 -9.332 -6.318 -2.595 1.00 73.33 H new ATOM 0 HB3 LEU B 15 -9.889 -6.937 -1.054 1.00 73.33 H new ATOM 0 HG LEU B 15 -7.530 -6.109 -0.187 1.00 50.44 H new ATOM 0 HD11 LEU B 15 -6.734 -4.043 -1.269 1.00 72.22 H new ATOM 0 HD12 LEU B 15 -6.552 -5.477 -2.308 1.00 72.22 H new ATOM 0 HD13 LEU B 15 -7.871 -4.322 -2.609 1.00 72.22 H new ATOM 0 HD21 LEU B 15 -8.536 -3.904 0.388 1.00 10.34 H new ATOM 0 HD22 LEU B 15 -9.821 -4.198 -0.808 1.00 10.34 H new ATOM 0 HD23 LEU B 15 -9.677 -5.249 0.621 1.00 10.34 H new ATOM 1806 N THR B 16 -7.741 -8.835 -4.163 1.00 34.12 N ATOM 1807 CA THR B 16 -7.003 -8.934 -5.406 1.00 4.30 C ATOM 1808 C THR B 16 -7.513 -7.848 -6.335 1.00 32.20 C ATOM 1809 O THR B 16 -8.677 -7.881 -6.710 1.00 52.40 O ATOM 1810 CB THR B 16 -7.201 -10.322 -6.081 1.00 65.12 C ATOM 1811 OG1 THR B 16 -6.979 -11.367 -5.118 1.00 62.24 O ATOM 1812 CG2 THR B 16 -6.259 -10.506 -7.282 1.00 12.02 C ATOM 0 H THR B 16 -8.581 -9.413 -4.136 1.00 34.12 H new ATOM 0 HA THR B 16 -5.939 -8.816 -5.200 1.00 4.30 H new ATOM 0 HB THR B 16 -8.225 -10.374 -6.450 1.00 65.12 H new ATOM 0 HG1 THR B 16 -6.072 -11.290 -4.755 1.00 62.24 H new ATOM 0 HG21 THR B 16 -6.426 -11.486 -7.728 1.00 12.02 H new ATOM 0 HG22 THR B 16 -6.458 -9.732 -8.023 1.00 12.02 H new ATOM 0 HG23 THR B 16 -5.224 -10.431 -6.948 1.00 12.02 H new ATOM 1820 N VAL B 17 -6.672 -6.865 -6.650 1.00 20.32 N ATOM 1821 CA VAL B 17 -7.015 -5.807 -7.596 1.00 62.15 C ATOM 1822 C VAL B 17 -6.366 -6.109 -8.949 1.00 41.43 C ATOM 1823 O VAL B 17 -5.311 -6.734 -9.011 1.00 75.40 O ATOM 1824 CB VAL B 17 -6.581 -4.383 -7.075 1.00 33.55 C ATOM 1825 CG1 VAL B 17 -6.962 -4.212 -5.581 1.00 4.31 C ATOM 1826 CG2 VAL B 17 -5.078 -4.086 -7.327 1.00 12.24 C ATOM 0 H VAL B 17 -5.735 -6.780 -6.257 1.00 20.32 H new ATOM 0 HA VAL B 17 -8.099 -5.785 -7.705 1.00 62.15 H new ATOM 0 HB VAL B 17 -7.132 -3.642 -7.655 1.00 33.55 H new ATOM 0 HG11 VAL B 17 -6.655 -3.224 -5.238 1.00 4.31 H new ATOM 0 HG12 VAL B 17 -8.041 -4.317 -5.466 1.00 4.31 H new ATOM 0 HG13 VAL B 17 -6.458 -4.975 -4.987 1.00 4.31 H new ATOM 0 HG21 VAL B 17 -4.835 -3.093 -6.949 1.00 12.24 H new ATOM 0 HG22 VAL B 17 -4.469 -4.829 -6.813 1.00 12.24 H new ATOM 0 HG23 VAL B 17 -4.873 -4.127 -8.397 1.00 12.24 H new ATOM 1836 N ARG B 18 -7.026 -5.696 -10.019 1.00 52.21 N ATOM 1837 CA ARG B 18 -6.422 -5.645 -11.357 1.00 22.30 C ATOM 1838 C ARG B 18 -5.884 -4.226 -11.544 1.00 44.14 C ATOM 1839 O ARG B 18 -6.663 -3.265 -11.514 1.00 42.54 O ATOM 1840 CB ARG B 18 -7.443 -6.061 -12.454 1.00 70.12 C ATOM 1841 CG ARG B 18 -8.861 -5.448 -12.307 1.00 61.41 C ATOM 1842 CD ARG B 18 -9.821 -5.915 -13.408 1.00 61.32 C ATOM 1843 NE ARG B 18 -9.372 -5.494 -14.750 1.00 31.42 N ATOM 1844 CZ ARG B 18 -10.164 -5.227 -15.798 1.00 72.14 C ATOM 1845 NH1 ARG B 18 -11.489 -5.317 -15.705 1.00 3.40 N ATOM 1846 NH2 ARG B 18 -9.610 -4.886 -16.948 1.00 74.42 N ATOM 0 H ARG B 18 -7.997 -5.385 -9.993 1.00 52.21 H new ATOM 0 HA ARG B 18 -5.605 -6.360 -11.452 1.00 22.30 H new ATOM 0 HB2 ARG B 18 -7.042 -5.777 -13.427 1.00 70.12 H new ATOM 0 HB3 ARG B 18 -7.533 -7.147 -12.451 1.00 70.12 H new ATOM 0 HG2 ARG B 18 -9.271 -5.718 -11.334 1.00 61.41 H new ATOM 0 HG3 ARG B 18 -8.787 -4.361 -12.331 1.00 61.41 H new ATOM 0 HD2 ARG B 18 -9.905 -7.001 -13.378 1.00 61.32 H new ATOM 0 HD3 ARG B 18 -10.816 -5.513 -13.216 1.00 61.32 H new ATOM 0 HE ARG B 18 -8.367 -5.397 -14.893 1.00 31.42 H new ATOM 0 HH11 ARG B 18 -11.921 -5.594 -14.823 1.00 3.40 H new ATOM 0 HH12 ARG B 18 -12.072 -5.109 -16.515 1.00 3.40 H new ATOM 0 HH21 ARG B 18 -8.595 -4.829 -17.028 1.00 74.42 H new ATOM 0 HH22 ARG B 18 -10.198 -4.679 -17.756 1.00 74.42 H new ATOM 1860 N ASN B 19 -4.546 -4.123 -11.688 1.00 5.25 N ATOM 1861 CA ASN B 19 -3.792 -2.861 -11.591 1.00 51.22 C ATOM 1862 C ASN B 19 -4.270 -1.826 -12.627 1.00 43.43 C ATOM 1863 O ASN B 19 -3.826 -1.788 -13.779 1.00 2.33 O ATOM 1864 CB ASN B 19 -2.265 -3.114 -11.702 1.00 44.40 C ATOM 1865 CG ASN B 19 -1.713 -4.058 -10.623 1.00 61.34 C ATOM 1866 OD1 ASN B 19 -2.396 -4.986 -10.182 1.00 32.21 O ATOM 1867 ND2 ASN B 19 -0.471 -3.832 -10.191 1.00 42.34 N ATOM 0 H ASN B 19 -3.952 -4.930 -11.878 1.00 5.25 H new ATOM 0 HA ASN B 19 -3.989 -2.438 -10.606 1.00 51.22 H new ATOM 0 HB2 ASN B 19 -2.046 -3.533 -12.684 1.00 44.40 H new ATOM 0 HB3 ASN B 19 -1.742 -2.160 -11.638 1.00 44.40 H new ATOM 0 HD21 ASN B 19 -0.062 -4.435 -9.477 1.00 42.34 H new ATOM 0 HD22 ASN B 19 0.069 -3.057 -10.575 1.00 42.34 H new ATOM 1874 N HIS B 20 -5.259 -1.064 -12.193 1.00 25.34 N ATOM 1875 CA HIS B 20 -5.834 0.075 -12.908 1.00 64.25 C ATOM 1876 C HIS B 20 -5.385 1.361 -12.181 1.00 20.44 C ATOM 1877 O HIS B 20 -5.226 1.324 -10.956 1.00 55.10 O ATOM 1878 CB HIS B 20 -7.384 -0.081 -12.903 1.00 22.11 C ATOM 1879 CG HIS B 20 -8.135 0.978 -13.661 1.00 4.21 C ATOM 1880 ND1 HIS B 20 -8.401 0.884 -15.007 1.00 71.03 N ATOM 1881 CD2 HIS B 20 -8.679 2.153 -13.258 1.00 11.23 C ATOM 1882 CE1 HIS B 20 -9.063 1.951 -15.396 1.00 63.25 C ATOM 1883 NE2 HIS B 20 -9.248 2.735 -14.358 1.00 15.33 N ATOM 0 H HIS B 20 -5.708 -1.226 -11.291 1.00 25.34 H new ATOM 0 HA HIS B 20 -5.499 0.124 -13.944 1.00 64.25 H new ATOM 0 HB2 HIS B 20 -7.637 -1.054 -13.323 1.00 22.11 H new ATOM 0 HB3 HIS B 20 -7.730 -0.080 -11.869 1.00 22.11 H new ATOM 0 HD2 HIS B 20 -8.666 2.555 -12.256 1.00 11.23 H new ATOM 0 HE1 HIS B 20 -9.399 2.150 -16.403 1.00 63.25 H new ATOM 0 HE2 HIS B 20 -9.736 3.631 -14.370 1.00 15.33 H new ATOM 1892 N PRO B 21 -5.135 2.505 -12.909 1.00 13.32 N ATOM 1893 CA PRO B 21 -4.744 3.789 -12.266 1.00 60.25 C ATOM 1894 C PRO B 21 -5.739 4.245 -11.172 1.00 55.02 C ATOM 1895 O PRO B 21 -6.837 4.724 -11.476 1.00 11.22 O ATOM 1896 CB PRO B 21 -4.691 4.787 -13.455 1.00 62.53 C ATOM 1897 CG PRO B 21 -4.434 3.938 -14.667 1.00 72.02 C ATOM 1898 CD PRO B 21 -5.152 2.629 -14.403 1.00 5.01 C ATOM 0 HA PRO B 21 -3.797 3.708 -11.733 1.00 60.25 H new ATOM 0 HB2 PRO B 21 -5.627 5.337 -13.550 1.00 62.53 H new ATOM 0 HB3 PRO B 21 -3.901 5.525 -13.316 1.00 62.53 H new ATOM 0 HG2 PRO B 21 -4.812 4.418 -15.570 1.00 72.02 H new ATOM 0 HG3 PRO B 21 -3.366 3.777 -14.815 1.00 72.02 H new ATOM 0 HD2 PRO B 21 -6.170 2.646 -14.791 1.00 5.01 H new ATOM 0 HD3 PRO B 21 -4.643 1.791 -14.880 1.00 5.01 H new ATOM 1906 N GLY B 22 -5.360 4.010 -9.899 1.00 14.34 N ATOM 1907 CA GLY B 22 -6.137 4.467 -8.744 1.00 20.52 C ATOM 1908 C GLY B 22 -6.606 3.355 -7.813 1.00 72.22 C ATOM 1909 O GLY B 22 -7.135 3.666 -6.745 1.00 75.12 O ATOM 0 H GLY B 22 -4.512 3.501 -9.651 1.00 14.34 H new ATOM 0 HA2 GLY B 22 -5.532 5.171 -8.172 1.00 20.52 H new ATOM 0 HA3 GLY B 22 -7.009 5.014 -9.103 1.00 20.52 H new ATOM 1913 N VAL B 23 -6.411 2.066 -8.192 1.00 41.54 N ATOM 1914 CA VAL B 23 -6.859 0.903 -7.369 1.00 73.22 C ATOM 1915 C VAL B 23 -6.362 0.985 -5.906 1.00 73.42 C ATOM 1916 O VAL B 23 -7.129 0.768 -4.964 1.00 31.53 O ATOM 1917 CB VAL B 23 -6.426 -0.486 -7.995 1.00 24.10 C ATOM 1918 CG1 VAL B 23 -7.178 -0.771 -9.300 1.00 33.31 C ATOM 1919 CG2 VAL B 23 -4.898 -0.577 -8.226 1.00 51.33 C ATOM 0 H VAL B 23 -5.947 1.802 -9.061 1.00 41.54 H new ATOM 0 HA VAL B 23 -7.948 0.958 -7.368 1.00 73.22 H new ATOM 0 HB VAL B 23 -6.695 -1.249 -7.265 1.00 24.10 H new ATOM 0 HG11 VAL B 23 -6.857 -1.732 -9.703 1.00 33.31 H new ATOM 0 HG12 VAL B 23 -8.250 -0.800 -9.103 1.00 33.31 H new ATOM 0 HG13 VAL B 23 -6.963 0.016 -10.023 1.00 33.31 H new ATOM 0 HG21 VAL B 23 -4.652 -1.548 -8.656 1.00 51.33 H new ATOM 0 HG22 VAL B 23 -4.586 0.212 -8.910 1.00 51.33 H new ATOM 0 HG23 VAL B 23 -4.379 -0.460 -7.275 1.00 51.33 H new ATOM 1929 N MET B 24 -5.086 1.358 -5.756 1.00 14.34 N ATOM 1930 CA MET B 24 -4.425 1.532 -4.459 1.00 2.52 C ATOM 1931 C MET B 24 -5.067 2.680 -3.639 1.00 51.12 C ATOM 1932 O MET B 24 -5.201 2.575 -2.425 1.00 64.21 O ATOM 1933 CB MET B 24 -2.915 1.775 -4.691 1.00 34.43 C ATOM 1934 CG MET B 24 -2.594 2.928 -5.651 1.00 12.13 C ATOM 1935 SD MET B 24 -0.831 3.117 -5.939 1.00 74.04 S ATOM 1936 CE MET B 24 -0.834 4.498 -7.073 1.00 44.33 C ATOM 0 H MET B 24 -4.473 1.551 -6.548 1.00 14.34 H new ATOM 0 HA MET B 24 -4.554 0.624 -3.870 1.00 2.52 H new ATOM 0 HB2 MET B 24 -2.441 1.977 -3.730 1.00 34.43 H new ATOM 0 HB3 MET B 24 -2.469 0.860 -5.081 1.00 34.43 H new ATOM 0 HG2 MET B 24 -3.097 2.755 -6.602 1.00 12.13 H new ATOM 0 HG3 MET B 24 -2.993 3.857 -5.244 1.00 12.13 H new ATOM 0 HE1 MET B 24 0.129 4.554 -7.581 1.00 44.33 H new ATOM 0 HE2 MET B 24 -1.626 4.362 -7.810 1.00 44.33 H new ATOM 0 HE3 MET B 24 -1.007 5.422 -6.521 1.00 44.33 H new ATOM 1946 N THR B 25 -5.494 3.754 -4.327 1.00 43.40 N ATOM 1947 CA THR B 25 -6.122 4.928 -3.690 1.00 71.32 C ATOM 1948 C THR B 25 -7.541 4.579 -3.191 1.00 55.04 C ATOM 1949 O THR B 25 -7.986 5.070 -2.144 1.00 33.42 O ATOM 1950 CB THR B 25 -6.182 6.127 -4.695 1.00 63.45 C ATOM 1951 OG1 THR B 25 -4.952 6.178 -5.443 1.00 31.10 O ATOM 1952 CG2 THR B 25 -6.399 7.478 -3.979 1.00 55.30 C ATOM 0 H THR B 25 -5.414 3.834 -5.341 1.00 43.40 H new ATOM 0 HA THR B 25 -5.515 5.220 -2.833 1.00 71.32 H new ATOM 0 HB THR B 25 -7.032 5.964 -5.358 1.00 63.45 H new ATOM 0 HG1 THR B 25 -4.984 6.926 -6.075 1.00 31.10 H new ATOM 0 HG21 THR B 25 -6.434 8.279 -4.717 1.00 55.30 H new ATOM 0 HG22 THR B 25 -7.339 7.451 -3.428 1.00 55.30 H new ATOM 0 HG23 THR B 25 -5.577 7.658 -3.286 1.00 55.30 H new ATOM 1960 N HIS B 26 -8.220 3.700 -3.959 1.00 23.20 N ATOM 1961 CA HIS B 26 -9.568 3.205 -3.635 1.00 32.20 C ATOM 1962 C HIS B 26 -9.534 2.384 -2.334 1.00 1.12 C ATOM 1963 O HIS B 26 -10.291 2.677 -1.405 1.00 50.41 O ATOM 1964 CB HIS B 26 -10.155 2.355 -4.808 1.00 33.33 C ATOM 1965 CG HIS B 26 -10.576 3.150 -6.030 1.00 54.23 C ATOM 1966 ND1 HIS B 26 -11.658 2.808 -6.813 1.00 34.20 N ATOM 1967 CD2 HIS B 26 -10.044 4.253 -6.615 1.00 22.31 C ATOM 1968 CE1 HIS B 26 -11.771 3.665 -7.806 1.00 42.14 C ATOM 1969 NE2 HIS B 26 -10.807 4.549 -7.710 1.00 12.50 N ATOM 0 H HIS B 26 -7.843 3.314 -4.825 1.00 23.20 H new ATOM 0 HA HIS B 26 -10.221 4.066 -3.490 1.00 32.20 H new ATOM 0 HB2 HIS B 26 -9.410 1.619 -5.111 1.00 33.33 H new ATOM 0 HB3 HIS B 26 -11.018 1.801 -4.439 1.00 33.33 H new ATOM 0 HD2 HIS B 26 -9.175 4.798 -6.277 1.00 22.31 H new ATOM 0 HE1 HIS B 26 -12.531 3.644 -8.573 1.00 42.14 H new ATOM 0 HE2 HIS B 26 -10.652 5.330 -8.348 1.00 12.50 H new ATOM 1978 N VAL B 27 -8.610 1.399 -2.255 1.00 42.14 N ATOM 1979 CA VAL B 27 -8.526 0.476 -1.103 1.00 44.32 C ATOM 1980 C VAL B 27 -8.155 1.234 0.186 1.00 40.33 C ATOM 1981 O VAL B 27 -8.821 1.081 1.217 1.00 64.50 O ATOM 1982 CB VAL B 27 -7.553 -0.745 -1.378 1.00 33.03 C ATOM 1983 CG1 VAL B 27 -7.928 -1.435 -2.713 1.00 11.51 C ATOM 1984 CG2 VAL B 27 -6.056 -0.359 -1.365 1.00 73.14 C ATOM 0 H VAL B 27 -7.912 1.224 -2.978 1.00 42.14 H new ATOM 0 HA VAL B 27 -9.517 0.046 -0.959 1.00 44.32 H new ATOM 0 HB VAL B 27 -7.690 -1.443 -0.552 1.00 33.03 H new ATOM 0 HG11 VAL B 27 -7.253 -2.272 -2.892 1.00 11.51 H new ATOM 0 HG12 VAL B 27 -8.953 -1.801 -2.658 1.00 11.51 H new ATOM 0 HG13 VAL B 27 -7.842 -0.718 -3.530 1.00 11.51 H new ATOM 0 HG21 VAL B 27 -5.450 -1.244 -1.560 1.00 73.14 H new ATOM 0 HG22 VAL B 27 -5.866 0.388 -2.136 1.00 73.14 H new ATOM 0 HG23 VAL B 27 -5.795 0.052 -0.390 1.00 73.14 H new ATOM 1994 N CYS B 28 -7.153 2.120 0.071 1.00 2.40 N ATOM 1995 CA CYS B 28 -6.680 2.958 1.171 1.00 11.42 C ATOM 1996 C CYS B 28 -7.783 3.922 1.662 1.00 14.22 C ATOM 1997 O CYS B 28 -7.833 4.256 2.845 1.00 30.33 O ATOM 1998 CB CYS B 28 -5.428 3.726 0.712 1.00 34.12 C ATOM 1999 SG CYS B 28 -4.017 2.661 0.326 1.00 21.32 S ATOM 0 H CYS B 28 -6.646 2.272 -0.801 1.00 2.40 H new ATOM 0 HA CYS B 28 -6.421 2.323 2.018 1.00 11.42 H new ATOM 0 HB2 CYS B 28 -5.678 4.315 -0.170 1.00 34.12 H new ATOM 0 HB3 CYS B 28 -5.138 4.429 1.493 1.00 34.12 H new ATOM 0 HG CYS B 28 -3.342 3.175 -0.658 1.00 21.32 H new ATOM 2005 N GLY B 29 -8.682 4.323 0.737 1.00 23.13 N ATOM 2006 CA GLY B 29 -9.807 5.196 1.057 1.00 33.53 C ATOM 2007 C GLY B 29 -10.768 4.586 2.078 1.00 65.32 C ATOM 2008 O GLY B 29 -11.093 5.225 3.083 1.00 35.32 O ATOM 0 H GLY B 29 -8.639 4.047 -0.244 1.00 23.13 H new ATOM 0 HA2 GLY B 29 -9.427 6.141 1.444 1.00 33.53 H new ATOM 0 HA3 GLY B 29 -10.354 5.423 0.142 1.00 33.53 H new ATOM 2012 N LEU B 30 -11.167 3.314 1.844 1.00 70.20 N ATOM 2013 CA LEU B 30 -12.183 2.622 2.670 1.00 3.34 C ATOM 2014 C LEU B 30 -11.683 2.340 4.105 1.00 14.34 C ATOM 2015 O LEU B 30 -12.450 2.445 5.058 1.00 42.31 O ATOM 2016 CB LEU B 30 -12.678 1.303 1.991 1.00 33.25 C ATOM 2017 CG LEU B 30 -13.749 1.457 0.849 1.00 11.41 C ATOM 2018 CD1 LEU B 30 -14.978 2.272 1.315 1.00 2.01 C ATOM 2019 CD2 LEU B 30 -13.157 2.047 -0.443 1.00 73.31 C ATOM 0 H LEU B 30 -10.797 2.743 1.084 1.00 70.20 H new ATOM 0 HA LEU B 30 -13.029 3.304 2.747 1.00 3.34 H new ATOM 0 HB2 LEU B 30 -11.811 0.787 1.578 1.00 33.25 H new ATOM 0 HB3 LEU B 30 -13.095 0.658 2.764 1.00 33.25 H new ATOM 0 HG LEU B 30 -14.086 0.447 0.616 1.00 11.41 H new ATOM 0 HD11 LEU B 30 -15.692 2.354 0.496 1.00 2.01 H new ATOM 0 HD12 LEU B 30 -15.450 1.768 2.159 1.00 2.01 H new ATOM 0 HD13 LEU B 30 -14.659 3.269 1.620 1.00 2.01 H new ATOM 0 HD21 LEU B 30 -13.940 2.131 -1.197 1.00 73.31 H new ATOM 0 HD22 LEU B 30 -12.745 3.035 -0.236 1.00 73.31 H new ATOM 0 HD23 LEU B 30 -12.366 1.394 -0.812 1.00 73.31 H new ATOM 2031 N PHE B 31 -10.408 1.981 4.248 1.00 24.51 N ATOM 2032 CA PHE B 31 -9.826 1.595 5.559 1.00 65.43 C ATOM 2033 C PHE B 31 -9.434 2.830 6.395 1.00 51.21 C ATOM 2034 O PHE B 31 -9.444 2.778 7.634 1.00 70.22 O ATOM 2035 CB PHE B 31 -8.644 0.618 5.333 1.00 33.24 C ATOM 2036 CG PHE B 31 -9.024 -0.560 4.422 1.00 22.55 C ATOM 2037 CD1 PHE B 31 -10.251 -1.218 4.584 1.00 43.15 C ATOM 2038 CD2 PHE B 31 -8.201 -0.967 3.376 1.00 1.35 C ATOM 2039 CE1 PHE B 31 -10.628 -2.242 3.743 1.00 73.25 C ATOM 2040 CE2 PHE B 31 -8.588 -1.991 2.531 1.00 24.11 C ATOM 2041 CZ PHE B 31 -9.798 -2.626 2.716 1.00 33.03 C ATOM 0 H PHE B 31 -9.744 1.945 3.474 1.00 24.51 H new ATOM 0 HA PHE B 31 -10.582 1.074 6.147 1.00 65.43 H new ATOM 0 HB2 PHE B 31 -7.807 1.160 4.892 1.00 33.24 H new ATOM 0 HB3 PHE B 31 -8.304 0.235 6.295 1.00 33.24 H new ATOM 0 HD1 PHE B 31 -10.913 -0.917 5.383 1.00 43.15 H new ATOM 0 HD2 PHE B 31 -7.250 -0.478 3.223 1.00 1.35 H new ATOM 0 HE1 PHE B 31 -11.574 -2.742 3.890 1.00 73.25 H new ATOM 0 HE2 PHE B 31 -7.940 -2.295 1.722 1.00 24.11 H new ATOM 0 HZ PHE B 31 -10.094 -3.426 2.054 1.00 33.03 H new ATOM 2051 N ALA B 32 -9.103 3.938 5.704 1.00 14.31 N ATOM 2052 CA ALA B 32 -8.754 5.220 6.347 1.00 45.02 C ATOM 2053 C ALA B 32 -9.991 5.900 6.945 1.00 41.34 C ATOM 2054 O ALA B 32 -9.946 6.399 8.074 1.00 42.41 O ATOM 2055 CB ALA B 32 -8.080 6.154 5.337 1.00 65.05 C ATOM 0 H ALA B 32 -9.070 3.970 4.685 1.00 14.31 H new ATOM 0 HA ALA B 32 -8.059 5.007 7.159 1.00 45.02 H new ATOM 0 HB1 ALA B 32 -7.828 7.096 5.824 1.00 65.05 H new ATOM 0 HB2 ALA B 32 -7.171 5.686 4.959 1.00 65.05 H new ATOM 0 HB3 ALA B 32 -8.761 6.346 4.508 1.00 65.05 H new ATOM 2061 N ARG B 33 -11.106 5.875 6.181 1.00 3.34 N ATOM 2062 CA ARG B 33 -12.353 6.603 6.529 1.00 24.30 C ATOM 2063 C ARG B 33 -13.089 5.972 7.728 1.00 44.54 C ATOM 2064 O ARG B 33 -14.084 6.536 8.203 1.00 13.24 O ATOM 2065 CB ARG B 33 -13.302 6.658 5.307 1.00 0.41 C ATOM 2066 CG ARG B 33 -13.861 5.284 4.896 1.00 2.24 C ATOM 2067 CD ARG B 33 -14.739 5.332 3.641 1.00 24.23 C ATOM 2068 NE ARG B 33 -15.966 6.130 3.847 1.00 50.12 N ATOM 2069 CZ ARG B 33 -17.224 5.674 3.717 1.00 23.31 C ATOM 2070 NH1 ARG B 33 -17.471 4.406 3.377 1.00 23.21 N ATOM 2071 NH2 ARG B 33 -18.238 6.499 3.921 1.00 2.33 N ATOM 0 H ARG B 33 -11.170 5.352 5.308 1.00 3.34 H new ATOM 0 HA ARG B 33 -12.060 7.613 6.817 1.00 24.30 H new ATOM 0 HB2 ARG B 33 -14.133 7.326 5.533 1.00 0.41 H new ATOM 0 HB3 ARG B 33 -12.767 7.090 4.462 1.00 0.41 H new ATOM 0 HG2 ARG B 33 -13.030 4.600 4.723 1.00 2.24 H new ATOM 0 HG3 ARG B 33 -14.443 4.876 5.722 1.00 2.24 H new ATOM 0 HD2 ARG B 33 -14.167 5.755 2.816 1.00 24.23 H new ATOM 0 HD3 ARG B 33 -15.012 4.317 3.352 1.00 24.23 H new ATOM 0 HE ARG B 33 -15.848 7.109 4.110 1.00 50.12 H new ATOM 0 HH11 ARG B 33 -16.697 3.763 3.210 1.00 23.21 H new ATOM 0 HH12 ARG B 33 -18.433 4.081 3.284 1.00 23.21 H new ATOM 0 HH21 ARG B 33 -18.062 7.471 4.174 1.00 2.33 H new ATOM 0 HH22 ARG B 33 -19.196 6.163 3.825 1.00 2.33 H new ATOM 2085 N ARG B 34 -12.611 4.800 8.190 1.00 64.52 N ATOM 2086 CA ARG B 34 -13.169 4.111 9.345 1.00 23.53 C ATOM 2087 C ARG B 34 -12.945 4.953 10.611 1.00 1.12 C ATOM 2088 O ARG B 34 -13.859 5.635 11.079 1.00 12.44 O ATOM 2089 CB ARG B 34 -12.506 2.718 9.478 1.00 70.33 C ATOM 2090 CG ARG B 34 -12.941 1.904 10.713 1.00 54.43 C ATOM 2091 CD ARG B 34 -12.205 0.572 10.806 1.00 73.24 C ATOM 2092 NE ARG B 34 -10.734 0.723 10.768 1.00 71.15 N ATOM 2093 CZ ARG B 34 -9.862 -0.111 11.349 1.00 44.40 C ATOM 2094 NH1 ARG B 34 -10.284 -1.170 12.032 1.00 34.51 N ATOM 2095 NH2 ARG B 34 -8.563 0.126 11.241 1.00 3.44 N ATOM 0 H ARG B 34 -11.824 4.312 7.763 1.00 64.52 H new ATOM 0 HA ARG B 34 -14.243 3.975 9.214 1.00 23.53 H new ATOM 0 HB2 ARG B 34 -12.730 2.139 8.582 1.00 70.33 H new ATOM 0 HB3 ARG B 34 -11.424 2.849 9.510 1.00 70.33 H new ATOM 0 HG2 ARG B 34 -12.753 2.486 11.615 1.00 54.43 H new ATOM 0 HG3 ARG B 34 -14.015 1.723 10.668 1.00 54.43 H new ATOM 0 HD2 ARG B 34 -12.490 0.069 11.730 1.00 73.24 H new ATOM 0 HD3 ARG B 34 -12.521 -0.070 9.984 1.00 73.24 H new ATOM 0 HE ARG B 34 -10.355 1.523 10.261 1.00 71.15 H new ATOM 0 HH11 ARG B 34 -11.283 -1.356 12.119 1.00 34.51 H new ATOM 0 HH12 ARG B 34 -9.609 -1.797 12.469 1.00 34.51 H new ATOM 0 HH21 ARG B 34 -8.234 0.938 10.719 1.00 3.44 H new ATOM 0 HH22 ARG B 34 -7.891 -0.504 11.680 1.00 3.44 H new ATOM 2109 N ALA B 35 -11.694 4.941 11.098 1.00 51.43 N ATOM 2110 CA ALA B 35 -11.305 5.557 12.376 1.00 61.42 C ATOM 2111 C ALA B 35 -9.828 5.270 12.643 1.00 22.34 C ATOM 2112 O ALA B 35 -9.018 6.179 12.836 1.00 4.12 O ATOM 2113 CB ALA B 35 -12.168 5.021 13.545 1.00 42.53 C ATOM 0 H ALA B 35 -10.916 4.498 10.610 1.00 51.43 H new ATOM 0 HA ALA B 35 -11.469 6.632 12.307 1.00 61.42 H new ATOM 0 HB1 ALA B 35 -11.856 5.496 14.475 1.00 42.53 H new ATOM 0 HB2 ALA B 35 -13.217 5.248 13.356 1.00 42.53 H new ATOM 0 HB3 ALA B 35 -12.039 3.942 13.627 1.00 42.53 H new ATOM 2119 N PHE B 36 -9.508 3.966 12.640 1.00 15.03 N ATOM 2120 CA PHE B 36 -8.180 3.453 13.005 1.00 31.54 C ATOM 2121 C PHE B 36 -7.332 3.218 11.740 1.00 11.24 C ATOM 2122 O PHE B 36 -7.873 2.974 10.648 1.00 20.11 O ATOM 2123 CB PHE B 36 -8.337 2.143 13.828 1.00 63.24 C ATOM 2124 CG PHE B 36 -7.019 1.548 14.349 1.00 44.34 C ATOM 2125 CD1 PHE B 36 -6.288 2.193 15.351 1.00 11.25 C ATOM 2126 CD2 PHE B 36 -6.498 0.365 13.822 1.00 74.40 C ATOM 2127 CE1 PHE B 36 -5.088 1.668 15.806 1.00 32.52 C ATOM 2128 CE2 PHE B 36 -5.298 -0.156 14.275 1.00 33.34 C ATOM 2129 CZ PHE B 36 -4.595 0.494 15.267 1.00 12.15 C ATOM 0 H PHE B 36 -10.169 3.234 12.382 1.00 15.03 H new ATOM 0 HA PHE B 36 -7.662 4.189 13.620 1.00 31.54 H new ATOM 0 HB2 PHE B 36 -8.991 2.340 14.677 1.00 63.24 H new ATOM 0 HB3 PHE B 36 -8.836 1.398 13.208 1.00 63.24 H new ATOM 0 HD1 PHE B 36 -6.663 3.112 15.776 1.00 11.25 H new ATOM 0 HD2 PHE B 36 -7.041 -0.154 13.046 1.00 74.40 H new ATOM 0 HE1 PHE B 36 -4.537 2.177 16.583 1.00 32.52 H new ATOM 0 HE2 PHE B 36 -4.913 -1.072 13.851 1.00 33.34 H new ATOM 0 HZ PHE B 36 -3.660 0.087 15.623 1.00 12.15 H new ATOM 2139 N ASN B 37 -6.007 3.253 11.928 1.00 23.11 N ATOM 2140 CA ASN B 37 -4.997 3.123 10.862 1.00 3.12 C ATOM 2141 C ASN B 37 -4.859 1.667 10.379 1.00 71.51 C ATOM 2142 O ASN B 37 -5.482 0.748 10.917 1.00 41.11 O ATOM 2143 CB ASN B 37 -3.620 3.612 11.404 1.00 62.23 C ATOM 2144 CG ASN B 37 -3.654 5.043 11.925 1.00 3.22 C ATOM 2145 OD1 ASN B 37 -4.365 5.887 11.397 1.00 3.13 O ATOM 2146 ND2 ASN B 37 -2.908 5.320 12.981 1.00 0.22 N ATOM 0 H ASN B 37 -5.592 3.376 12.852 1.00 23.11 H new ATOM 0 HA ASN B 37 -5.319 3.730 10.016 1.00 3.12 H new ATOM 0 HB2 ASN B 37 -3.296 2.948 12.205 1.00 62.23 H new ATOM 0 HB3 ASN B 37 -2.877 3.539 10.609 1.00 62.23 H new ATOM 0 HD21 ASN B 37 -2.915 6.260 13.378 1.00 0.22 H new ATOM 0 HD22 ASN B 37 -2.326 4.594 13.399 1.00 0.22 H new ATOM 2153 N VAL B 38 -4.045 1.489 9.335 1.00 41.41 N ATOM 2154 CA VAL B 38 -3.498 0.184 8.947 1.00 2.24 C ATOM 2155 C VAL B 38 -2.066 0.111 9.495 1.00 31.20 C ATOM 2156 O VAL B 38 -1.324 1.100 9.413 1.00 61.22 O ATOM 2157 CB VAL B 38 -3.493 -0.017 7.384 1.00 25.51 C ATOM 2158 CG1 VAL B 38 -2.867 -1.372 6.985 1.00 50.51 C ATOM 2159 CG2 VAL B 38 -4.921 0.100 6.812 1.00 62.25 C ATOM 0 H VAL B 38 -3.744 2.253 8.729 1.00 41.41 H new ATOM 0 HA VAL B 38 -4.123 -0.609 9.358 1.00 2.24 H new ATOM 0 HB VAL B 38 -2.877 0.775 6.957 1.00 25.51 H new ATOM 0 HG11 VAL B 38 -2.882 -1.474 5.900 1.00 50.51 H new ATOM 0 HG12 VAL B 38 -1.837 -1.416 7.340 1.00 50.51 H new ATOM 0 HG13 VAL B 38 -3.440 -2.184 7.433 1.00 50.51 H new ATOM 0 HG21 VAL B 38 -4.893 -0.042 5.732 1.00 62.25 H new ATOM 0 HG22 VAL B 38 -5.557 -0.662 7.262 1.00 62.25 H new ATOM 0 HG23 VAL B 38 -5.324 1.087 7.038 1.00 62.25 H new ATOM 2169 N GLU B 39 -1.703 -1.040 10.075 1.00 33.45 N ATOM 2170 CA GLU B 39 -0.371 -1.257 10.657 1.00 22.13 C ATOM 2171 C GLU B 39 0.670 -1.380 9.527 1.00 23.53 C ATOM 2172 O GLU B 39 1.639 -0.619 9.467 1.00 65.41 O ATOM 2173 CB GLU B 39 -0.396 -2.540 11.539 1.00 3.33 C ATOM 2174 CG GLU B 39 0.865 -2.770 12.392 1.00 74.10 C ATOM 2175 CD GLU B 39 1.093 -1.656 13.433 1.00 65.40 C ATOM 2176 OE1 GLU B 39 0.173 -1.410 14.249 1.00 54.15 O ATOM 2177 OE2 GLU B 39 2.195 -1.057 13.466 1.00 72.03 O ATOM 0 H GLU B 39 -2.323 -1.846 10.154 1.00 33.45 H new ATOM 0 HA GLU B 39 -0.095 -0.411 11.287 1.00 22.13 H new ATOM 0 HB2 GLU B 39 -1.260 -2.490 12.202 1.00 3.33 H new ATOM 0 HB3 GLU B 39 -0.541 -3.405 10.891 1.00 3.33 H new ATOM 0 HG2 GLU B 39 0.782 -3.728 12.904 1.00 74.10 H new ATOM 0 HG3 GLU B 39 1.734 -2.833 11.738 1.00 74.10 H new ATOM 2184 N GLY B 40 0.400 -2.314 8.598 1.00 2.51 N ATOM 2185 CA GLY B 40 1.297 -2.601 7.477 1.00 40.53 C ATOM 2186 C GLY B 40 0.522 -2.898 6.211 1.00 13.30 C ATOM 2187 O GLY B 40 -0.591 -3.415 6.276 1.00 64.33 O ATOM 0 H GLY B 40 -0.444 -2.886 8.607 1.00 2.51 H new ATOM 0 HA2 GLY B 40 1.957 -1.750 7.310 1.00 40.53 H new ATOM 0 HA3 GLY B 40 1.931 -3.452 7.725 1.00 40.53 H new ATOM 2191 N ILE B 41 1.103 -2.578 5.052 1.00 3.34 N ATOM 2192 CA ILE B 41 0.462 -2.778 3.730 1.00 71.43 C ATOM 2193 C ILE B 41 1.380 -3.663 2.889 1.00 13.33 C ATOM 2194 O ILE B 41 2.602 -3.476 2.909 1.00 53.31 O ATOM 2195 CB ILE B 41 0.230 -1.406 2.985 1.00 44.11 C ATOM 2196 CG1 ILE B 41 -0.612 -0.431 3.868 1.00 54.44 C ATOM 2197 CG2 ILE B 41 -0.426 -1.608 1.594 1.00 73.05 C ATOM 2198 CD1 ILE B 41 -0.729 0.976 3.313 1.00 52.43 C ATOM 0 H ILE B 41 2.036 -2.170 4.993 1.00 3.34 H new ATOM 0 HA ILE B 41 -0.512 -3.245 3.874 1.00 71.43 H new ATOM 0 HB ILE B 41 1.208 -0.956 2.816 1.00 44.11 H new ATOM 0 HG12 ILE B 41 -1.613 -0.844 3.991 1.00 54.44 H new ATOM 0 HG13 ILE B 41 -0.164 -0.381 4.860 1.00 54.44 H new ATOM 0 HG21 ILE B 41 -0.568 -0.639 1.115 1.00 73.05 H new ATOM 0 HG22 ILE B 41 0.221 -2.228 0.973 1.00 73.05 H new ATOM 0 HG23 ILE B 41 -1.392 -2.098 1.715 1.00 73.05 H new ATOM 0 HD11 ILE B 41 -1.330 1.585 3.989 1.00 52.43 H new ATOM 0 HD12 ILE B 41 0.265 1.413 3.217 1.00 52.43 H new ATOM 0 HD13 ILE B 41 -1.207 0.942 2.334 1.00 52.43 H new ATOM 2210 N LEU B 42 0.801 -4.611 2.150 1.00 43.03 N ATOM 2211 CA LEU B 42 1.573 -5.536 1.323 1.00 43.23 C ATOM 2212 C LEU B 42 0.789 -5.916 0.052 1.00 5.13 C ATOM 2213 O LEU B 42 -0.143 -6.722 0.087 1.00 72.45 O ATOM 2214 CB LEU B 42 1.977 -6.769 2.174 1.00 55.20 C ATOM 2215 CG LEU B 42 2.742 -7.928 1.451 1.00 30.20 C ATOM 2216 CD1 LEU B 42 3.840 -7.431 0.489 1.00 74.23 C ATOM 2217 CD2 LEU B 42 3.311 -8.903 2.497 1.00 41.35 C ATOM 0 H LEU B 42 -0.208 -4.758 2.109 1.00 43.03 H new ATOM 0 HA LEU B 42 2.489 -5.054 0.981 1.00 43.23 H new ATOM 0 HB2 LEU B 42 2.598 -6.419 2.999 1.00 55.20 H new ATOM 0 HB3 LEU B 42 1.071 -7.187 2.612 1.00 55.20 H new ATOM 0 HG LEU B 42 2.021 -8.450 0.822 1.00 30.20 H new ATOM 0 HD11 LEU B 42 4.329 -8.286 0.023 1.00 74.23 H new ATOM 0 HD12 LEU B 42 3.392 -6.804 -0.282 1.00 74.23 H new ATOM 0 HD13 LEU B 42 4.576 -6.851 1.046 1.00 74.23 H new ATOM 0 HD21 LEU B 42 3.843 -9.709 1.992 1.00 41.35 H new ATOM 0 HD22 LEU B 42 3.998 -8.371 3.155 1.00 41.35 H new ATOM 0 HD23 LEU B 42 2.495 -9.321 3.087 1.00 41.35 H new ATOM 2229 N CYS B 43 1.189 -5.278 -1.058 1.00 0.41 N ATOM 2230 CA CYS B 43 0.708 -5.568 -2.410 1.00 32.01 C ATOM 2231 C CYS B 43 1.760 -6.395 -3.149 1.00 61.35 C ATOM 2232 O CYS B 43 2.808 -5.861 -3.549 1.00 73.52 O ATOM 2233 CB CYS B 43 0.454 -4.263 -3.179 1.00 32.01 C ATOM 2234 SG CYS B 43 -0.042 -4.488 -4.904 1.00 73.35 S ATOM 0 H CYS B 43 1.876 -4.525 -1.035 1.00 0.41 H new ATOM 0 HA CYS B 43 -0.227 -6.124 -2.343 1.00 32.01 H new ATOM 0 HB2 CYS B 43 -0.322 -3.698 -2.663 1.00 32.01 H new ATOM 0 HB3 CYS B 43 1.361 -3.658 -3.151 1.00 32.01 H new ATOM 0 HG CYS B 43 -0.232 -3.326 -5.456 1.00 73.35 H new ATOM 2240 N LEU B 44 1.488 -7.696 -3.283 1.00 32.31 N ATOM 2241 CA LEU B 44 2.314 -8.624 -4.053 1.00 21.13 C ATOM 2242 C LEU B 44 1.735 -8.735 -5.483 1.00 31.23 C ATOM 2243 O LEU B 44 0.636 -9.287 -5.644 1.00 61.41 O ATOM 2244 CB LEU B 44 2.328 -10.013 -3.366 1.00 33.13 C ATOM 2245 CG LEU B 44 3.242 -11.097 -4.026 1.00 21.42 C ATOM 2246 CD1 LEU B 44 4.736 -10.716 -3.917 1.00 2.22 C ATOM 2247 CD2 LEU B 44 2.966 -12.487 -3.423 1.00 32.55 C ATOM 0 H LEU B 44 0.676 -8.138 -2.853 1.00 32.31 H new ATOM 0 HA LEU B 44 3.339 -8.257 -4.103 1.00 21.13 H new ATOM 0 HB2 LEU B 44 2.644 -9.881 -2.331 1.00 33.13 H new ATOM 0 HB3 LEU B 44 1.307 -10.394 -3.341 1.00 33.13 H new ATOM 0 HG LEU B 44 2.998 -11.141 -5.087 1.00 21.42 H new ATOM 0 HD11 LEU B 44 5.344 -11.490 -4.385 1.00 2.22 H new ATOM 0 HD12 LEU B 44 4.907 -9.765 -4.422 1.00 2.22 H new ATOM 0 HD13 LEU B 44 5.012 -10.624 -2.867 1.00 2.22 H new ATOM 0 HD21 LEU B 44 3.613 -13.225 -3.898 1.00 32.55 H new ATOM 0 HD22 LEU B 44 3.165 -12.465 -2.352 1.00 32.55 H new ATOM 0 HD23 LEU B 44 1.924 -12.757 -3.592 1.00 32.55 H new ATOM 2259 N PRO B 45 2.432 -8.183 -6.529 1.00 71.43 N ATOM 2260 CA PRO B 45 1.972 -8.298 -7.935 1.00 32.23 C ATOM 2261 C PRO B 45 2.123 -9.731 -8.476 1.00 30.15 C ATOM 2262 O PRO B 45 3.080 -10.430 -8.142 1.00 61.51 O ATOM 2263 CB PRO B 45 2.884 -7.306 -8.698 1.00 1.20 C ATOM 2264 CG PRO B 45 4.135 -7.218 -7.872 1.00 4.32 C ATOM 2265 CD PRO B 45 3.697 -7.393 -6.429 1.00 21.33 C ATOM 0 HA PRO B 45 0.911 -8.072 -8.045 1.00 32.23 H new ATOM 0 HB2 PRO B 45 3.100 -7.662 -9.705 1.00 1.20 H new ATOM 0 HB3 PRO B 45 2.408 -6.331 -8.800 1.00 1.20 H new ATOM 0 HG2 PRO B 45 4.848 -7.991 -8.160 1.00 4.32 H new ATOM 0 HG3 PRO B 45 4.631 -6.258 -8.016 1.00 4.32 H new ATOM 0 HD2 PRO B 45 4.451 -7.919 -5.844 1.00 21.33 H new ATOM 0 HD3 PRO B 45 3.530 -6.432 -5.943 1.00 21.33 H new ATOM 2273 N ILE B 46 1.155 -10.154 -9.293 1.00 53.21 N ATOM 2274 CA ILE B 46 1.165 -11.464 -9.958 1.00 55.41 C ATOM 2275 C ILE B 46 1.712 -11.272 -11.383 1.00 33.42 C ATOM 2276 O ILE B 46 1.205 -10.441 -12.136 1.00 52.14 O ATOM 2277 CB ILE B 46 -0.274 -12.143 -9.979 1.00 52.45 C ATOM 2278 CG1 ILE B 46 -0.728 -12.589 -8.543 1.00 11.22 C ATOM 2279 CG2 ILE B 46 -0.329 -13.345 -10.954 1.00 45.43 C ATOM 2280 CD1 ILE B 46 -1.067 -11.461 -7.587 1.00 2.15 C ATOM 0 H ILE B 46 0.333 -9.593 -9.515 1.00 53.21 H new ATOM 0 HA ILE B 46 1.806 -12.144 -9.397 1.00 55.41 H new ATOM 0 HB ILE B 46 -0.969 -11.383 -10.336 1.00 52.45 H new ATOM 0 HG12 ILE B 46 -1.601 -13.234 -8.641 1.00 11.22 H new ATOM 0 HG13 ILE B 46 0.065 -13.191 -8.100 1.00 11.22 H new ATOM 0 HG21 ILE B 46 -1.328 -13.780 -10.939 1.00 45.43 H new ATOM 0 HG22 ILE B 46 -0.096 -13.006 -11.963 1.00 45.43 H new ATOM 0 HG23 ILE B 46 0.399 -14.096 -10.647 1.00 45.43 H new ATOM 0 HD11 ILE B 46 -1.368 -11.877 -6.626 1.00 2.15 H new ATOM 0 HD12 ILE B 46 -0.192 -10.825 -7.450 1.00 2.15 H new ATOM 0 HD13 ILE B 46 -1.885 -10.869 -7.998 1.00 2.15 H new ATOM 2292 N GLN B 47 2.758 -12.038 -11.733 1.00 43.41 N ATOM 2293 CA GLN B 47 3.420 -11.944 -13.051 1.00 62.42 C ATOM 2294 C GLN B 47 2.590 -12.621 -14.154 1.00 43.25 C ATOM 2295 O GLN B 47 2.767 -12.317 -15.331 1.00 4.43 O ATOM 2296 CB GLN B 47 4.830 -12.579 -12.989 1.00 62.03 C ATOM 2297 CG GLN B 47 4.858 -14.064 -12.573 1.00 2.01 C ATOM 2298 CD GLN B 47 6.271 -14.645 -12.539 1.00 1.31 C ATOM 2299 OE1 GLN B 47 6.761 -15.172 -13.538 1.00 13.44 O ATOM 2300 NE2 GLN B 47 6.943 -14.546 -11.402 1.00 23.24 N ATOM 0 H GLN B 47 3.170 -12.738 -11.116 1.00 43.41 H new ATOM 0 HA GLN B 47 3.509 -10.886 -13.299 1.00 62.42 H new ATOM 0 HB2 GLN B 47 5.299 -12.483 -13.968 1.00 62.03 H new ATOM 0 HB3 GLN B 47 5.438 -12.009 -12.287 1.00 62.03 H new ATOM 0 HG2 GLN B 47 4.404 -14.169 -11.588 1.00 2.01 H new ATOM 0 HG3 GLN B 47 4.249 -14.642 -13.268 1.00 2.01 H new ATOM 0 HE21 GLN B 47 6.511 -14.104 -10.591 1.00 23.24 H new ATOM 0 HE22 GLN B 47 7.893 -14.912 -11.338 1.00 23.24 H new ATOM 2309 N ASP B 48 1.706 -13.545 -13.747 1.00 74.34 N ATOM 2310 CA ASP B 48 0.895 -14.361 -14.669 1.00 1.33 C ATOM 2311 C ASP B 48 -0.160 -13.513 -15.417 1.00 63.11 C ATOM 2312 O ASP B 48 -0.365 -13.681 -16.625 1.00 42.25 O ATOM 2313 CB ASP B 48 0.214 -15.505 -13.869 1.00 3.52 C ATOM 2314 CG ASP B 48 -0.767 -16.348 -14.704 1.00 11.53 C ATOM 2315 OD1 ASP B 48 -0.311 -17.237 -15.457 1.00 5.33 O ATOM 2316 OD2 ASP B 48 -1.995 -16.133 -14.600 1.00 22.01 O ATOM 0 H ASP B 48 1.531 -13.750 -12.763 1.00 74.34 H new ATOM 0 HA ASP B 48 1.554 -14.783 -15.428 1.00 1.33 H new ATOM 0 HB2 ASP B 48 0.985 -16.159 -13.461 1.00 3.52 H new ATOM 0 HB3 ASP B 48 -0.321 -15.075 -13.022 1.00 3.52 H new ATOM 2321 N SER B 49 -0.806 -12.598 -14.684 1.00 74.40 N ATOM 2322 CA SER B 49 -1.894 -11.742 -15.207 1.00 31.23 C ATOM 2323 C SER B 49 -1.873 -10.386 -14.490 1.00 34.43 C ATOM 2324 O SER B 49 -1.192 -10.243 -13.469 1.00 22.30 O ATOM 2325 CB SER B 49 -3.274 -12.434 -15.008 1.00 41.33 C ATOM 2326 OG SER B 49 -3.356 -13.655 -15.726 1.00 74.51 O ATOM 0 H SER B 49 -0.591 -12.424 -13.702 1.00 74.40 H new ATOM 0 HA SER B 49 -1.739 -11.586 -16.275 1.00 31.23 H new ATOM 0 HB2 SER B 49 -3.436 -12.624 -13.947 1.00 41.33 H new ATOM 0 HB3 SER B 49 -4.068 -11.764 -15.337 1.00 41.33 H new ATOM 0 HG SER B 49 -2.884 -14.357 -15.232 1.00 74.51 H new ATOM 2332 N ASP B 50 -2.631 -9.399 -15.021 1.00 5.22 N ATOM 2333 CA ASP B 50 -2.775 -8.067 -14.394 1.00 55.14 C ATOM 2334 C ASP B 50 -3.653 -8.178 -13.133 1.00 61.32 C ATOM 2335 O ASP B 50 -4.862 -7.948 -13.174 1.00 51.31 O ATOM 2336 CB ASP B 50 -3.376 -7.037 -15.389 1.00 13.43 C ATOM 2337 CG ASP B 50 -2.483 -6.812 -16.610 1.00 21.53 C ATOM 2338 OD1 ASP B 50 -2.629 -7.553 -17.609 1.00 72.44 O ATOM 2339 OD2 ASP B 50 -1.633 -5.894 -16.581 1.00 14.54 O ATOM 0 H ASP B 50 -3.156 -9.503 -15.889 1.00 5.22 H new ATOM 0 HA ASP B 50 -1.785 -7.711 -14.111 1.00 55.14 H new ATOM 0 HB2 ASP B 50 -4.356 -7.384 -15.718 1.00 13.43 H new ATOM 0 HB3 ASP B 50 -3.530 -6.088 -14.876 1.00 13.43 H new ATOM 2344 N LYS B 51 -3.022 -8.632 -12.047 1.00 44.01 N ATOM 2345 CA LYS B 51 -3.616 -8.808 -10.715 1.00 35.41 C ATOM 2346 C LYS B 51 -2.528 -8.572 -9.666 1.00 12.30 C ATOM 2347 O LYS B 51 -1.341 -8.743 -9.948 1.00 55.35 O ATOM 2348 CB LYS B 51 -4.226 -10.237 -10.525 1.00 61.33 C ATOM 2349 CG LYS B 51 -5.514 -10.513 -11.336 1.00 65.31 C ATOM 2350 CD LYS B 51 -6.110 -11.915 -11.068 1.00 44.11 C ATOM 2351 CE LYS B 51 -5.153 -13.059 -11.454 1.00 1.33 C ATOM 2352 NZ LYS B 51 -5.784 -14.390 -11.256 1.00 41.34 N ATOM 0 H LYS B 51 -2.038 -8.900 -12.071 1.00 44.01 H new ATOM 0 HA LYS B 51 -4.430 -8.092 -10.603 1.00 35.41 H new ATOM 0 HB2 LYS B 51 -3.475 -10.976 -10.803 1.00 61.33 H new ATOM 0 HB3 LYS B 51 -4.442 -10.385 -9.467 1.00 61.33 H new ATOM 0 HG2 LYS B 51 -6.259 -9.755 -11.093 1.00 65.31 H new ATOM 0 HG3 LYS B 51 -5.295 -10.415 -12.399 1.00 65.31 H new ATOM 0 HD2 LYS B 51 -6.362 -12.001 -10.011 1.00 44.11 H new ATOM 0 HD3 LYS B 51 -7.039 -12.022 -11.627 1.00 44.11 H new ATOM 0 HE2 LYS B 51 -4.855 -12.949 -12.497 1.00 1.33 H new ATOM 0 HE3 LYS B 51 -4.245 -12.993 -10.854 1.00 1.33 H new ATOM 0 HZ1 LYS B 51 -5.112 -15.136 -11.526 1.00 41.34 H new ATOM 0 HZ2 LYS B 51 -6.046 -14.505 -10.256 1.00 41.34 H new ATOM 0 HZ3 LYS B 51 -6.636 -14.462 -11.848 1.00 41.34 H new ATOM 2366 N SER B 52 -2.952 -8.181 -8.466 1.00 53.03 N ATOM 2367 CA SER B 52 -2.084 -7.970 -7.307 1.00 71.22 C ATOM 2368 C SER B 52 -2.900 -8.260 -6.051 1.00 10.33 C ATOM 2369 O SER B 52 -4.027 -7.785 -5.942 1.00 35.52 O ATOM 2370 CB SER B 52 -1.549 -6.520 -7.280 1.00 21.22 C ATOM 2371 OG SER B 52 -0.676 -6.268 -8.363 1.00 62.13 O ATOM 0 H SER B 52 -3.935 -7.997 -8.266 1.00 53.03 H new ATOM 0 HA SER B 52 -1.222 -8.635 -7.361 1.00 71.22 H new ATOM 0 HB2 SER B 52 -2.385 -5.822 -7.316 1.00 21.22 H new ATOM 0 HB3 SER B 52 -1.025 -6.342 -6.341 1.00 21.22 H new ATOM 0 HG SER B 52 -1.193 -5.948 -9.132 1.00 62.13 H new ATOM 2377 N HIS B 53 -2.357 -9.062 -5.129 1.00 70.13 N ATOM 2378 CA HIS B 53 -2.989 -9.306 -3.827 1.00 34.21 C ATOM 2379 C HIS B 53 -2.485 -8.251 -2.835 1.00 30.15 C ATOM 2380 O HIS B 53 -1.312 -8.285 -2.441 1.00 13.52 O ATOM 2381 CB HIS B 53 -2.647 -10.719 -3.277 1.00 23.23 C ATOM 2382 CG HIS B 53 -3.072 -11.891 -4.119 1.00 2.53 C ATOM 2383 ND1 HIS B 53 -4.375 -12.138 -4.452 1.00 14.12 N ATOM 2384 CD2 HIS B 53 -2.360 -12.912 -4.652 1.00 14.10 C ATOM 2385 CE1 HIS B 53 -4.454 -13.250 -5.145 1.00 53.34 C ATOM 2386 NE2 HIS B 53 -3.244 -13.739 -5.282 1.00 4.25 N ATOM 0 H HIS B 53 -1.475 -9.557 -5.262 1.00 70.13 H new ATOM 0 HA HIS B 53 -4.070 -9.246 -3.953 1.00 34.21 H new ATOM 0 HB2 HIS B 53 -1.568 -10.776 -3.133 1.00 23.23 H new ATOM 0 HB3 HIS B 53 -3.106 -10.822 -2.294 1.00 23.23 H new ATOM 0 HD2 HIS B 53 -1.290 -13.047 -4.590 1.00 14.10 H new ATOM 0 HE1 HIS B 53 -5.361 -13.688 -5.536 1.00 53.34 H new ATOM 0 HE2 HIS B 53 -3.004 -14.597 -5.778 1.00 4.25 H new ATOM 2395 N ILE B 54 -3.349 -7.299 -2.477 1.00 13.33 N ATOM 2396 CA ILE B 54 -3.057 -6.302 -1.441 1.00 61.42 C ATOM 2397 C ILE B 54 -3.722 -6.795 -0.167 1.00 41.35 C ATOM 2398 O ILE B 54 -4.956 -6.731 -0.061 1.00 1.44 O ATOM 2399 CB ILE B 54 -3.594 -4.835 -1.748 1.00 11.15 C ATOM 2400 CG1 ILE B 54 -3.105 -4.273 -3.117 1.00 64.25 C ATOM 2401 CG2 ILE B 54 -3.188 -3.861 -0.608 1.00 23.53 C ATOM 2402 CD1 ILE B 54 -3.634 -4.981 -4.335 1.00 25.32 C ATOM 0 H ILE B 54 -4.273 -7.196 -2.897 1.00 13.33 H new ATOM 0 HA ILE B 54 -1.973 -6.210 -1.374 1.00 61.42 H new ATOM 0 HB ILE B 54 -4.680 -4.914 -1.805 1.00 11.15 H new ATOM 0 HG12 ILE B 54 -3.385 -3.222 -3.179 1.00 64.25 H new ATOM 0 HG13 ILE B 54 -2.016 -4.314 -3.139 1.00 64.25 H new ATOM 0 HG21 ILE B 54 -3.562 -2.862 -0.832 1.00 23.53 H new ATOM 0 HG22 ILE B 54 -3.615 -4.205 0.334 1.00 23.53 H new ATOM 0 HG23 ILE B 54 -2.102 -3.831 -0.525 1.00 23.53 H new ATOM 0 HD11 ILE B 54 -3.232 -4.511 -5.232 1.00 25.32 H new ATOM 0 HD12 ILE B 54 -3.332 -6.028 -4.307 1.00 25.32 H new ATOM 0 HD13 ILE B 54 -4.722 -4.918 -4.349 1.00 25.32 H new ATOM 2414 N TRP B 55 -2.940 -7.338 0.773 1.00 34.24 N ATOM 2415 CA TRP B 55 -3.469 -7.673 2.093 1.00 72.33 C ATOM 2416 C TRP B 55 -3.012 -6.645 3.117 1.00 14.32 C ATOM 2417 O TRP B 55 -1.819 -6.334 3.237 1.00 61.02 O ATOM 2418 CB TRP B 55 -3.181 -9.123 2.532 1.00 74.44 C ATOM 2419 CG TRP B 55 -1.756 -9.576 2.577 1.00 72.14 C ATOM 2420 CD1 TRP B 55 -0.911 -9.599 3.656 1.00 62.14 C ATOM 2421 CD2 TRP B 55 -1.033 -10.155 1.487 1.00 63.13 C ATOM 2422 NE1 TRP B 55 0.276 -10.176 3.296 1.00 53.10 N ATOM 2423 CE2 TRP B 55 0.218 -10.523 1.970 1.00 50.12 C ATOM 2424 CE3 TRP B 55 -1.336 -10.398 0.150 1.00 60.44 C ATOM 2425 CZ2 TRP B 55 1.171 -11.127 1.162 1.00 31.23 C ATOM 2426 CZ3 TRP B 55 -0.381 -10.991 -0.649 1.00 40.01 C ATOM 2427 CH2 TRP B 55 0.851 -11.349 -0.140 1.00 21.11 C ATOM 0 H TRP B 55 -1.951 -7.551 0.644 1.00 34.24 H new ATOM 0 HA TRP B 55 -4.556 -7.628 2.024 1.00 72.33 H new ATOM 0 HB2 TRP B 55 -3.606 -9.261 3.526 1.00 74.44 H new ATOM 0 HB3 TRP B 55 -3.721 -9.789 1.859 1.00 74.44 H new ATOM 0 HD1 TRP B 55 -1.146 -9.220 4.639 1.00 62.14 H new ATOM 0 HE1 TRP B 55 1.074 -10.324 3.913 1.00 53.10 H new ATOM 0 HE3 TRP B 55 -2.300 -10.127 -0.254 1.00 60.44 H new ATOM 0 HZ2 TRP B 55 2.136 -11.411 1.555 1.00 31.23 H new ATOM 0 HZ3 TRP B 55 -0.601 -11.178 -1.690 1.00 40.01 H new ATOM 0 HH2 TRP B 55 1.576 -11.816 -0.790 1.00 21.11 H new ATOM 2438 N LEU B 56 -4.007 -6.084 3.805 1.00 44.14 N ATOM 2439 CA LEU B 56 -3.825 -5.036 4.791 1.00 62.32 C ATOM 2440 C LEU B 56 -3.738 -5.677 6.171 1.00 60.11 C ATOM 2441 O LEU B 56 -4.615 -6.456 6.557 1.00 14.35 O ATOM 2442 CB LEU B 56 -5.001 -4.011 4.730 1.00 1.41 C ATOM 2443 CG LEU B 56 -5.143 -3.176 3.407 1.00 13.41 C ATOM 2444 CD1 LEU B 56 -3.826 -2.454 3.049 1.00 54.31 C ATOM 2445 CD2 LEU B 56 -5.673 -4.030 2.221 1.00 61.15 C ATOM 0 H LEU B 56 -4.982 -6.357 3.684 1.00 44.14 H new ATOM 0 HA LEU B 56 -2.905 -4.491 4.582 1.00 62.32 H new ATOM 0 HB2 LEU B 56 -5.933 -4.553 4.892 1.00 1.41 H new ATOM 0 HB3 LEU B 56 -4.889 -3.315 5.561 1.00 1.41 H new ATOM 0 HG LEU B 56 -5.895 -2.410 3.597 1.00 13.41 H new ATOM 0 HD11 LEU B 56 -3.961 -1.886 2.128 1.00 54.31 H new ATOM 0 HD12 LEU B 56 -3.552 -1.776 3.857 1.00 54.31 H new ATOM 0 HD13 LEU B 56 -3.034 -3.190 2.909 1.00 54.31 H new ATOM 0 HD21 LEU B 56 -5.753 -3.406 1.331 1.00 61.15 H new ATOM 0 HD22 LEU B 56 -4.983 -4.852 2.028 1.00 61.15 H new ATOM 0 HD23 LEU B 56 -6.655 -4.432 2.472 1.00 61.15 H new ATOM 2457 N LEU B 57 -2.657 -5.361 6.884 1.00 11.43 N ATOM 2458 CA LEU B 57 -2.435 -5.802 8.253 1.00 74.53 C ATOM 2459 C LEU B 57 -3.092 -4.768 9.160 1.00 43.45 C ATOM 2460 O LEU B 57 -2.498 -3.750 9.498 1.00 52.20 O ATOM 2461 CB LEU B 57 -0.911 -5.949 8.561 1.00 45.21 C ATOM 2462 CG LEU B 57 -0.131 -7.034 7.738 1.00 44.50 C ATOM 2463 CD1 LEU B 57 -0.795 -8.409 7.866 1.00 52.32 C ATOM 2464 CD2 LEU B 57 0.046 -6.634 6.251 1.00 41.34 C ATOM 0 H LEU B 57 -1.902 -4.782 6.517 1.00 11.43 H new ATOM 0 HA LEU B 57 -2.871 -6.787 8.418 1.00 74.53 H new ATOM 0 HB2 LEU B 57 -0.434 -4.984 8.391 1.00 45.21 H new ATOM 0 HB3 LEU B 57 -0.798 -6.178 9.621 1.00 45.21 H new ATOM 0 HG LEU B 57 0.868 -7.098 8.168 1.00 44.50 H new ATOM 0 HD11 LEU B 57 -0.233 -9.140 7.285 1.00 52.32 H new ATOM 0 HD12 LEU B 57 -0.809 -8.710 8.913 1.00 52.32 H new ATOM 0 HD13 LEU B 57 -1.817 -8.356 7.490 1.00 52.32 H new ATOM 0 HD21 LEU B 57 0.592 -7.418 5.726 1.00 41.34 H new ATOM 0 HD22 LEU B 57 -0.933 -6.502 5.791 1.00 41.34 H new ATOM 0 HD23 LEU B 57 0.604 -5.700 6.189 1.00 41.34 H new ATOM 2476 N VAL B 58 -4.357 -5.018 9.467 1.00 3.24 N ATOM 2477 CA VAL B 58 -5.237 -4.070 10.166 1.00 1.34 C ATOM 2478 C VAL B 58 -6.179 -4.866 11.060 1.00 41.33 C ATOM 2479 O VAL B 58 -6.450 -6.005 10.749 1.00 14.42 O ATOM 2480 CB VAL B 58 -6.070 -3.229 9.123 1.00 54.12 C ATOM 2481 CG1 VAL B 58 -7.060 -4.104 8.318 1.00 1.25 C ATOM 2482 CG2 VAL B 58 -6.779 -2.033 9.786 1.00 33.35 C ATOM 0 H VAL B 58 -4.816 -5.899 9.236 1.00 3.24 H new ATOM 0 HA VAL B 58 -4.641 -3.380 10.764 1.00 1.34 H new ATOM 0 HB VAL B 58 -5.353 -2.826 8.408 1.00 54.12 H new ATOM 0 HG11 VAL B 58 -7.609 -3.479 7.614 1.00 1.25 H new ATOM 0 HG12 VAL B 58 -6.508 -4.868 7.771 1.00 1.25 H new ATOM 0 HG13 VAL B 58 -7.761 -4.583 9.001 1.00 1.25 H new ATOM 0 HG21 VAL B 58 -7.341 -1.480 9.033 1.00 33.35 H new ATOM 0 HG22 VAL B 58 -7.461 -2.395 10.555 1.00 33.35 H new ATOM 0 HG23 VAL B 58 -6.037 -1.376 10.239 1.00 33.35 H new ATOM 2492 N ASN B 59 -6.658 -4.298 12.167 1.00 1.44 N ATOM 2493 CA ASN B 59 -7.694 -4.971 12.981 1.00 12.11 C ATOM 2494 C ASN B 59 -9.089 -4.730 12.352 1.00 52.21 C ATOM 2495 O ASN B 59 -9.351 -3.662 11.792 1.00 43.45 O ATOM 2496 CB ASN B 59 -7.615 -4.529 14.470 1.00 21.45 C ATOM 2497 CG ASN B 59 -7.738 -3.017 14.725 1.00 15.22 C ATOM 2498 OD1 ASN B 59 -8.395 -2.270 13.993 1.00 13.43 O ATOM 2499 ND2 ASN B 59 -7.103 -2.548 15.788 1.00 62.23 N ATOM 0 H ASN B 59 -6.358 -3.391 12.523 1.00 1.44 H new ATOM 0 HA ASN B 59 -7.514 -6.046 12.980 1.00 12.11 H new ATOM 0 HB2 ASN B 59 -8.405 -5.037 15.023 1.00 21.45 H new ATOM 0 HB3 ASN B 59 -6.666 -4.872 14.882 1.00 21.45 H new ATOM 0 HD21 ASN B 59 -7.152 -1.555 16.014 1.00 62.23 H new ATOM 0 HD22 ASN B 59 -6.565 -3.180 16.381 1.00 62.23 H new ATOM 2506 N ASP B 60 -9.950 -5.756 12.389 1.00 2.21 N ATOM 2507 CA ASP B 60 -11.321 -5.696 11.867 1.00 23.02 C ATOM 2508 C ASP B 60 -12.223 -4.868 12.782 1.00 63.13 C ATOM 2509 O ASP B 60 -11.998 -4.791 13.996 1.00 61.33 O ATOM 2510 CB ASP B 60 -11.906 -7.122 11.672 1.00 34.40 C ATOM 2511 CG ASP B 60 -13.324 -7.123 11.054 1.00 41.12 C ATOM 2512 OD1 ASP B 60 -13.461 -6.779 9.859 1.00 54.35 O ATOM 2513 OD2 ASP B 60 -14.304 -7.446 11.770 1.00 72.11 O ATOM 0 H ASP B 60 -9.710 -6.663 12.788 1.00 2.21 H new ATOM 0 HA ASP B 60 -11.282 -5.206 10.894 1.00 23.02 H new ATOM 0 HB2 ASP B 60 -11.238 -7.697 11.031 1.00 34.40 H new ATOM 0 HB3 ASP B 60 -11.937 -7.629 12.636 1.00 34.40 H new ATOM 2518 N ASP B 61 -13.254 -4.275 12.182 1.00 71.40 N ATOM 2519 CA ASP B 61 -14.220 -3.421 12.875 1.00 24.44 C ATOM 2520 C ASP B 61 -15.619 -3.666 12.289 1.00 65.24 C ATOM 2521 O ASP B 61 -15.751 -4.206 11.178 1.00 54.24 O ATOM 2522 CB ASP B 61 -13.777 -1.939 12.717 1.00 44.42 C ATOM 2523 CG ASP B 61 -14.535 -0.956 13.628 1.00 12.52 C ATOM 2524 OD1 ASP B 61 -15.611 -0.462 13.228 1.00 65.45 O ATOM 2525 OD2 ASP B 61 -14.048 -0.671 14.745 1.00 25.23 O ATOM 0 H ASP B 61 -13.445 -4.375 11.185 1.00 71.40 H new ATOM 0 HA ASP B 61 -14.258 -3.655 13.939 1.00 24.44 H new ATOM 0 HB2 ASP B 61 -12.710 -1.865 12.929 1.00 44.42 H new ATOM 0 HB3 ASP B 61 -13.917 -1.638 11.679 1.00 44.42 H new ATOM 2530 N GLN B 62 -16.648 -3.235 13.030 1.00 65.33 N ATOM 2531 CA GLN B 62 -18.066 -3.382 12.642 1.00 61.10 C ATOM 2532 C GLN B 62 -18.370 -2.606 11.346 1.00 13.34 C ATOM 2533 O GLN B 62 -19.131 -3.069 10.489 1.00 13.32 O ATOM 2534 CB GLN B 62 -18.970 -2.877 13.795 1.00 41.43 C ATOM 2535 CG GLN B 62 -18.696 -3.574 15.147 1.00 74.34 C ATOM 2536 CD GLN B 62 -19.541 -3.031 16.303 1.00 12.35 C ATOM 2537 OE1 GLN B 62 -19.917 -1.858 16.321 1.00 10.31 O ATOM 2538 NE2 GLN B 62 -19.831 -3.868 17.284 1.00 54.52 N ATOM 0 H GLN B 62 -16.523 -2.768 13.928 1.00 65.33 H new ATOM 0 HA GLN B 62 -18.269 -4.436 12.454 1.00 61.10 H new ATOM 0 HB2 GLN B 62 -18.827 -1.803 13.914 1.00 41.43 H new ATOM 0 HB3 GLN B 62 -20.014 -3.031 13.521 1.00 41.43 H new ATOM 0 HG2 GLN B 62 -18.886 -4.642 15.040 1.00 74.34 H new ATOM 0 HG3 GLN B 62 -17.641 -3.462 15.396 1.00 74.34 H new ATOM 0 HE21 GLN B 62 -19.507 -4.834 17.243 1.00 54.52 H new ATOM 0 HE22 GLN B 62 -20.379 -3.548 18.082 1.00 54.52 H new ATOM 2547 N ARG B 63 -17.736 -1.432 11.218 1.00 13.43 N ATOM 2548 CA ARG B 63 -17.892 -0.547 10.051 1.00 33.21 C ATOM 2549 C ARG B 63 -17.010 -1.032 8.892 1.00 53.34 C ATOM 2550 O ARG B 63 -17.327 -0.778 7.722 1.00 14.33 O ATOM 2551 CB ARG B 63 -17.530 0.927 10.395 1.00 63.32 C ATOM 2552 CG ARG B 63 -18.480 1.655 11.387 1.00 51.04 C ATOM 2553 CD ARG B 63 -18.385 1.131 12.828 1.00 0.04 C ATOM 2554 NE ARG B 63 -19.161 1.931 13.776 1.00 11.41 N ATOM 2555 CZ ARG B 63 -19.212 1.717 15.096 1.00 32.43 C ATOM 2556 NH1 ARG B 63 -18.534 0.717 15.654 1.00 71.13 N ATOM 2557 NH2 ARG B 63 -19.937 2.518 15.855 1.00 61.24 N ATOM 0 H ARG B 63 -17.097 -1.066 11.924 1.00 13.43 H new ATOM 0 HA ARG B 63 -18.940 -0.582 9.754 1.00 33.21 H new ATOM 0 HB2 ARG B 63 -16.523 0.944 10.811 1.00 63.32 H new ATOM 0 HB3 ARG B 63 -17.501 1.498 9.467 1.00 63.32 H new ATOM 0 HG2 ARG B 63 -18.250 2.720 11.381 1.00 51.04 H new ATOM 0 HG3 ARG B 63 -19.507 1.548 11.038 1.00 51.04 H new ATOM 0 HD2 ARG B 63 -18.736 0.099 12.858 1.00 0.04 H new ATOM 0 HD3 ARG B 63 -17.340 1.122 13.138 1.00 0.04 H new ATOM 0 HE ARG B 63 -19.704 2.710 13.403 1.00 11.41 H new ATOM 0 HH11 ARG B 63 -17.965 0.100 15.074 1.00 71.13 H new ATOM 0 HH12 ARG B 63 -18.583 0.567 16.662 1.00 71.13 H new ATOM 0 HH21 ARG B 63 -20.452 3.292 15.434 1.00 61.24 H new ATOM 0 HH22 ARG B 63 -19.982 2.363 16.862 1.00 61.24 H new ATOM 2571 N LEU B 64 -15.886 -1.707 9.241 1.00 31.35 N ATOM 2572 CA LEU B 64 -14.887 -2.169 8.264 1.00 11.22 C ATOM 2573 C LEU B 64 -15.540 -3.111 7.232 1.00 0.33 C ATOM 2574 O LEU B 64 -15.438 -2.861 6.036 1.00 52.32 O ATOM 2575 CB LEU B 64 -13.703 -2.880 8.966 1.00 52.21 C ATOM 2576 CG LEU B 64 -12.393 -3.033 8.116 1.00 11.12 C ATOM 2577 CD1 LEU B 64 -11.622 -1.708 8.023 1.00 53.22 C ATOM 2578 CD2 LEU B 64 -11.479 -4.128 8.668 1.00 72.10 C ATOM 0 H LEU B 64 -15.654 -1.942 10.206 1.00 31.35 H new ATOM 0 HA LEU B 64 -14.496 -1.294 7.745 1.00 11.22 H new ATOM 0 HB2 LEU B 64 -13.461 -2.329 9.875 1.00 52.21 H new ATOM 0 HB3 LEU B 64 -14.031 -3.873 9.273 1.00 52.21 H new ATOM 0 HG LEU B 64 -12.708 -3.324 7.114 1.00 11.12 H new ATOM 0 HD11 LEU B 64 -10.721 -1.852 7.427 1.00 53.22 H new ATOM 0 HD12 LEU B 64 -12.251 -0.953 7.552 1.00 53.22 H new ATOM 0 HD13 LEU B 64 -11.346 -1.377 9.024 1.00 53.22 H new ATOM 0 HD21 LEU B 64 -10.584 -4.201 8.050 1.00 72.10 H new ATOM 0 HD22 LEU B 64 -11.195 -3.883 9.691 1.00 72.10 H new ATOM 0 HD23 LEU B 64 -12.006 -5.082 8.656 1.00 72.10 H new ATOM 2590 N GLU B 65 -16.287 -4.131 7.741 1.00 74.40 N ATOM 2591 CA GLU B 65 -16.988 -5.150 6.917 1.00 44.10 C ATOM 2592 C GLU B 65 -17.963 -4.514 5.903 1.00 72.14 C ATOM 2593 O GLU B 65 -18.088 -4.990 4.770 1.00 64.13 O ATOM 2594 CB GLU B 65 -17.773 -6.141 7.820 1.00 41.34 C ATOM 2595 CG GLU B 65 -16.906 -6.903 8.839 1.00 32.03 C ATOM 2596 CD GLU B 65 -17.700 -7.973 9.607 1.00 72.55 C ATOM 2597 OE1 GLU B 65 -17.804 -9.123 9.115 1.00 31.51 O ATOM 2598 OE2 GLU B 65 -18.250 -7.663 10.689 1.00 35.33 O ATOM 0 H GLU B 65 -16.419 -4.267 8.743 1.00 74.40 H new ATOM 0 HA GLU B 65 -16.216 -5.683 6.362 1.00 44.10 H new ATOM 0 HB2 GLU B 65 -18.543 -5.589 8.359 1.00 41.34 H new ATOM 0 HB3 GLU B 65 -18.284 -6.864 7.185 1.00 41.34 H new ATOM 0 HG2 GLU B 65 -16.073 -7.377 8.320 1.00 32.03 H new ATOM 0 HG3 GLU B 65 -16.478 -6.195 9.548 1.00 32.03 H new ATOM 2605 N GLN B 66 -18.624 -3.433 6.338 1.00 25.45 N ATOM 2606 CA GLN B 66 -19.622 -2.704 5.531 1.00 53.22 C ATOM 2607 C GLN B 66 -18.956 -2.039 4.315 1.00 31.01 C ATOM 2608 O GLN B 66 -19.447 -2.126 3.185 1.00 64.51 O ATOM 2609 CB GLN B 66 -20.322 -1.639 6.411 1.00 25.33 C ATOM 2610 CG GLN B 66 -21.025 -2.202 7.666 1.00 61.11 C ATOM 2611 CD GLN B 66 -22.108 -3.233 7.340 1.00 50.10 C ATOM 2612 OE1 GLN B 66 -21.844 -4.431 7.257 1.00 2.34 O ATOM 2613 NE2 GLN B 66 -23.333 -2.774 7.137 1.00 50.35 N ATOM 0 H GLN B 66 -18.483 -3.034 7.266 1.00 25.45 H new ATOM 0 HA GLN B 66 -20.365 -3.412 5.164 1.00 53.22 H new ATOM 0 HB2 GLN B 66 -19.582 -0.903 6.725 1.00 25.33 H new ATOM 0 HB3 GLN B 66 -21.058 -1.112 5.804 1.00 25.33 H new ATOM 0 HG2 GLN B 66 -20.280 -2.661 8.317 1.00 61.11 H new ATOM 0 HG3 GLN B 66 -21.472 -1.379 8.224 1.00 61.11 H new ATOM 0 HE21 GLN B 66 -23.522 -1.775 7.213 1.00 50.35 H new ATOM 0 HE22 GLN B 66 -24.088 -3.420 6.905 1.00 50.35 H new ATOM 2622 N MET B 67 -17.810 -1.396 4.581 1.00 61.32 N ATOM 2623 CA MET B 67 -16.997 -0.719 3.558 1.00 71.32 C ATOM 2624 C MET B 67 -16.268 -1.736 2.663 1.00 65.32 C ATOM 2625 O MET B 67 -15.984 -1.444 1.502 1.00 4.35 O ATOM 2626 CB MET B 67 -16.011 0.245 4.245 1.00 14.42 C ATOM 2627 CG MET B 67 -16.700 1.392 4.998 1.00 34.33 C ATOM 2628 SD MET B 67 -15.527 2.478 5.823 1.00 52.23 S ATOM 2629 CE MET B 67 -14.733 1.341 6.959 1.00 73.24 C ATOM 0 H MET B 67 -17.417 -1.330 5.520 1.00 61.32 H new ATOM 0 HA MET B 67 -17.652 -0.141 2.906 1.00 71.32 H new ATOM 0 HB2 MET B 67 -15.392 -0.318 4.944 1.00 14.42 H new ATOM 0 HB3 MET B 67 -15.342 0.664 3.493 1.00 14.42 H new ATOM 0 HG2 MET B 67 -17.298 1.974 4.297 1.00 34.33 H new ATOM 0 HG3 MET B 67 -17.387 0.977 5.736 1.00 34.33 H new ATOM 0 HE1 MET B 67 -14.716 1.777 7.958 1.00 73.24 H new ATOM 0 HE2 MET B 67 -15.288 0.403 6.982 1.00 73.24 H new ATOM 0 HE3 MET B 67 -13.712 1.151 6.629 1.00 73.24 H new ATOM 2639 N ILE B 68 -15.983 -2.923 3.225 1.00 62.30 N ATOM 2640 CA ILE B 68 -15.395 -4.061 2.494 1.00 33.23 C ATOM 2641 C ILE B 68 -16.411 -4.631 1.468 1.00 33.33 C ATOM 2642 O ILE B 68 -16.034 -5.037 0.358 1.00 71.41 O ATOM 2643 CB ILE B 68 -14.904 -5.167 3.507 1.00 41.21 C ATOM 2644 CG1 ILE B 68 -13.630 -4.675 4.269 1.00 42.53 C ATOM 2645 CG2 ILE B 68 -14.652 -6.526 2.819 1.00 21.21 C ATOM 2646 CD1 ILE B 68 -13.172 -5.583 5.390 1.00 51.44 C ATOM 0 H ILE B 68 -16.156 -3.123 4.210 1.00 62.30 H new ATOM 0 HA ILE B 68 -14.526 -3.714 1.936 1.00 33.23 H new ATOM 0 HB ILE B 68 -15.705 -5.329 4.228 1.00 41.21 H new ATOM 0 HG12 ILE B 68 -12.815 -4.565 3.553 1.00 42.53 H new ATOM 0 HG13 ILE B 68 -13.829 -3.685 4.680 1.00 42.53 H new ATOM 0 HG21 ILE B 68 -14.316 -7.252 3.559 1.00 21.21 H new ATOM 0 HG22 ILE B 68 -15.575 -6.878 2.359 1.00 21.21 H new ATOM 0 HG23 ILE B 68 -13.886 -6.409 2.052 1.00 21.21 H new ATOM 0 HD11 ILE B 68 -12.284 -5.161 5.860 1.00 51.44 H new ATOM 0 HD12 ILE B 68 -13.966 -5.675 6.131 1.00 51.44 H new ATOM 0 HD13 ILE B 68 -12.936 -6.568 4.987 1.00 51.44 H new ATOM 2658 N SER B 69 -17.699 -4.622 1.840 1.00 1.12 N ATOM 2659 CA SER B 69 -18.792 -5.060 0.952 1.00 33.21 C ATOM 2660 C SER B 69 -19.015 -4.036 -0.182 1.00 4.01 C ATOM 2661 O SER B 69 -19.398 -4.397 -1.301 1.00 15.41 O ATOM 2662 CB SER B 69 -20.081 -5.243 1.775 1.00 42.53 C ATOM 2663 OG SER B 69 -19.871 -6.128 2.864 1.00 40.10 O ATOM 0 H SER B 69 -18.014 -4.313 2.760 1.00 1.12 H new ATOM 0 HA SER B 69 -18.520 -6.012 0.497 1.00 33.21 H new ATOM 0 HB2 SER B 69 -20.418 -4.276 2.148 1.00 42.53 H new ATOM 0 HB3 SER B 69 -20.873 -5.631 1.135 1.00 42.53 H new ATOM 0 HG SER B 69 -19.267 -5.711 3.513 1.00 40.10 H new ATOM 2669 N GLN B 70 -18.759 -2.756 0.136 1.00 43.32 N ATOM 2670 CA GLN B 70 -18.951 -1.626 -0.785 1.00 34.25 C ATOM 2671 C GLN B 70 -17.784 -1.549 -1.793 1.00 24.20 C ATOM 2672 O GLN B 70 -18.008 -1.313 -2.982 1.00 43.50 O ATOM 2673 CB GLN B 70 -19.100 -0.322 0.064 1.00 71.31 C ATOM 2674 CG GLN B 70 -19.449 0.988 -0.701 1.00 34.32 C ATOM 2675 CD GLN B 70 -18.239 1.727 -1.286 1.00 50.10 C ATOM 2676 OE1 GLN B 70 -17.613 2.545 -0.612 1.00 50.51 O ATOM 2677 NE2 GLN B 70 -17.913 1.473 -2.544 1.00 43.34 N ATOM 0 H GLN B 70 -18.409 -2.475 1.052 1.00 43.32 H new ATOM 0 HA GLN B 70 -19.857 -1.758 -1.377 1.00 34.25 H new ATOM 0 HB2 GLN B 70 -19.874 -0.493 0.813 1.00 71.31 H new ATOM 0 HB3 GLN B 70 -18.166 -0.161 0.602 1.00 71.31 H new ATOM 0 HG2 GLN B 70 -20.138 0.748 -1.511 1.00 34.32 H new ATOM 0 HG3 GLN B 70 -19.976 1.660 -0.023 1.00 34.32 H new ATOM 0 HE21 GLN B 70 -18.448 0.791 -3.082 1.00 43.34 H new ATOM 0 HE22 GLN B 70 -17.127 1.960 -2.975 1.00 43.34 H new ATOM 2686 N ILE B 71 -16.543 -1.760 -1.314 1.00 54.20 N ATOM 2687 CA ILE B 71 -15.334 -1.688 -2.172 1.00 33.41 C ATOM 2688 C ILE B 71 -15.314 -2.858 -3.181 1.00 62.01 C ATOM 2689 O ILE B 71 -14.788 -2.724 -4.286 1.00 41.31 O ATOM 2690 CB ILE B 71 -14.004 -1.675 -1.331 1.00 31.31 C ATOM 2691 CG1 ILE B 71 -12.767 -1.361 -2.234 1.00 73.34 C ATOM 2692 CG2 ILE B 71 -13.806 -2.990 -0.554 1.00 61.02 C ATOM 2693 CD1 ILE B 71 -11.428 -1.545 -1.555 1.00 64.43 C ATOM 0 H ILE B 71 -16.346 -1.982 -0.338 1.00 54.20 H new ATOM 0 HA ILE B 71 -15.386 -0.745 -2.716 1.00 33.41 H new ATOM 0 HB ILE B 71 -14.094 -0.875 -0.596 1.00 31.31 H new ATOM 0 HG12 ILE B 71 -12.804 -2.003 -3.114 1.00 73.34 H new ATOM 0 HG13 ILE B 71 -12.843 -0.332 -2.586 1.00 73.34 H new ATOM 0 HG21 ILE B 71 -12.877 -2.941 0.014 1.00 61.02 H new ATOM 0 HG22 ILE B 71 -14.642 -3.138 0.130 1.00 61.02 H new ATOM 0 HG23 ILE B 71 -13.759 -3.823 -1.255 1.00 61.02 H new ATOM 0 HD11 ILE B 71 -10.629 -1.305 -2.256 1.00 64.43 H new ATOM 0 HD12 ILE B 71 -11.364 -0.883 -0.691 1.00 64.43 H new ATOM 0 HD13 ILE B 71 -11.325 -2.580 -1.228 1.00 64.43 H new ATOM 2705 N ASP B 72 -15.916 -3.990 -2.777 1.00 53.13 N ATOM 2706 CA ASP B 72 -16.103 -5.174 -3.633 1.00 31.40 C ATOM 2707 C ASP B 72 -16.845 -4.815 -4.942 1.00 72.10 C ATOM 2708 O ASP B 72 -16.553 -5.374 -6.001 1.00 41.41 O ATOM 2709 CB ASP B 72 -16.883 -6.248 -2.839 1.00 22.05 C ATOM 2710 CG ASP B 72 -17.361 -7.437 -3.693 1.00 73.11 C ATOM 2711 OD1 ASP B 72 -16.552 -8.347 -3.975 1.00 33.42 O ATOM 2712 OD2 ASP B 72 -18.556 -7.470 -4.080 1.00 51.22 O ATOM 0 H ASP B 72 -16.291 -4.110 -1.836 1.00 53.13 H new ATOM 0 HA ASP B 72 -15.125 -5.564 -3.916 1.00 31.40 H new ATOM 0 HB2 ASP B 72 -16.249 -6.623 -2.036 1.00 22.05 H new ATOM 0 HB3 ASP B 72 -17.748 -5.780 -2.370 1.00 22.05 H new ATOM 2717 N LYS B 73 -17.776 -3.846 -4.835 1.00 20.12 N ATOM 2718 CA LYS B 73 -18.637 -3.390 -5.946 1.00 51.21 C ATOM 2719 C LYS B 73 -17.836 -2.636 -7.029 1.00 22.24 C ATOM 2720 O LYS B 73 -18.332 -2.435 -8.139 1.00 61.23 O ATOM 2721 CB LYS B 73 -19.752 -2.470 -5.377 1.00 23.21 C ATOM 2722 CG LYS B 73 -20.542 -3.041 -4.160 1.00 33.03 C ATOM 2723 CD LYS B 73 -21.859 -3.754 -4.530 1.00 21.42 C ATOM 2724 CE LYS B 73 -21.670 -5.005 -5.392 1.00 61.40 C ATOM 2725 NZ LYS B 73 -20.889 -6.077 -4.713 1.00 62.33 N ATOM 0 H LYS B 73 -17.954 -3.350 -3.961 1.00 20.12 H new ATOM 0 HA LYS B 73 -19.074 -4.269 -6.420 1.00 51.21 H new ATOM 0 HB2 LYS B 73 -19.301 -1.523 -5.082 1.00 23.21 H new ATOM 0 HB3 LYS B 73 -20.460 -2.251 -6.176 1.00 23.21 H new ATOM 0 HG2 LYS B 73 -19.902 -3.742 -3.624 1.00 33.03 H new ATOM 0 HG3 LYS B 73 -20.766 -2.225 -3.473 1.00 33.03 H new ATOM 0 HD2 LYS B 73 -22.379 -4.032 -3.613 1.00 21.42 H new ATOM 0 HD3 LYS B 73 -22.503 -3.053 -5.062 1.00 21.42 H new ATOM 0 HE2 LYS B 73 -22.648 -5.398 -5.669 1.00 61.40 H new ATOM 0 HE3 LYS B 73 -21.165 -4.727 -6.317 1.00 61.40 H new ATOM 0 HZ1 LYS B 73 -21.257 -7.007 -4.997 1.00 62.33 H new ATOM 0 HZ2 LYS B 73 -19.888 -6.003 -4.985 1.00 62.33 H new ATOM 0 HZ3 LYS B 73 -20.976 -5.970 -3.682 1.00 62.33 H new ATOM 2739 N LEU B 74 -16.614 -2.207 -6.680 1.00 64.54 N ATOM 2740 CA LEU B 74 -15.700 -1.508 -7.595 1.00 1.44 C ATOM 2741 C LEU B 74 -15.073 -2.500 -8.588 1.00 14.34 C ATOM 2742 O LEU B 74 -14.808 -3.656 -8.241 1.00 44.01 O ATOM 2743 CB LEU B 74 -14.578 -0.762 -6.796 1.00 3.54 C ATOM 2744 CG LEU B 74 -14.948 0.635 -6.196 1.00 13.22 C ATOM 2745 CD1 LEU B 74 -15.294 1.638 -7.313 1.00 23.44 C ATOM 2746 CD2 LEU B 74 -16.089 0.538 -5.159 1.00 22.21 C ATOM 0 H LEU B 74 -16.229 -2.337 -5.745 1.00 64.54 H new ATOM 0 HA LEU B 74 -16.276 -0.769 -8.153 1.00 1.44 H new ATOM 0 HB2 LEU B 74 -14.256 -1.408 -5.979 1.00 3.54 H new ATOM 0 HB3 LEU B 74 -13.720 -0.632 -7.456 1.00 3.54 H new ATOM 0 HG LEU B 74 -14.069 1.003 -5.667 1.00 13.22 H new ATOM 0 HD11 LEU B 74 -15.548 2.602 -6.871 1.00 23.44 H new ATOM 0 HD12 LEU B 74 -14.436 1.757 -7.974 1.00 23.44 H new ATOM 0 HD13 LEU B 74 -16.144 1.266 -7.885 1.00 23.44 H new ATOM 0 HD21 LEU B 74 -16.312 1.531 -4.769 1.00 22.21 H new ATOM 0 HD22 LEU B 74 -16.979 0.127 -5.635 1.00 22.21 H new ATOM 0 HD23 LEU B 74 -15.782 -0.112 -4.340 1.00 22.21 H new ATOM 2758 N GLU B 75 -14.811 -2.002 -9.808 1.00 35.13 N ATOM 2759 CA GLU B 75 -14.151 -2.763 -10.899 1.00 24.30 C ATOM 2760 C GLU B 75 -12.673 -3.049 -10.560 1.00 61.12 C ATOM 2761 O GLU B 75 -12.045 -3.934 -11.151 1.00 13.35 O ATOM 2762 CB GLU B 75 -14.244 -1.957 -12.223 1.00 63.12 C ATOM 2763 CG GLU B 75 -15.683 -1.574 -12.615 1.00 13.45 C ATOM 2764 CD GLU B 75 -15.755 -0.720 -13.887 1.00 64.21 C ATOM 2765 OE1 GLU B 75 -15.607 0.516 -13.797 1.00 23.01 O ATOM 2766 OE2 GLU B 75 -15.961 -1.279 -14.982 1.00 23.04 O ATOM 0 H GLU B 75 -15.052 -1.047 -10.075 1.00 35.13 H new ATOM 0 HA GLU B 75 -14.663 -3.718 -11.014 1.00 24.30 H new ATOM 0 HB2 GLU B 75 -13.649 -1.049 -12.128 1.00 63.12 H new ATOM 0 HB3 GLU B 75 -13.802 -2.545 -13.028 1.00 63.12 H new ATOM 0 HG2 GLU B 75 -16.267 -2.483 -12.762 1.00 13.45 H new ATOM 0 HG3 GLU B 75 -16.144 -1.028 -11.792 1.00 13.45 H new ATOM 2773 N ASP B 76 -12.143 -2.243 -9.628 1.00 62.45 N ATOM 2774 CA ASP B 76 -10.796 -2.382 -9.053 1.00 2.23 C ATOM 2775 C ASP B 76 -10.625 -3.778 -8.429 1.00 74.40 C ATOM 2776 O ASP B 76 -9.690 -4.516 -8.753 1.00 50.13 O ATOM 2777 CB ASP B 76 -10.591 -1.282 -7.961 1.00 73.13 C ATOM 2778 CG ASP B 76 -10.891 0.149 -8.463 1.00 44.33 C ATOM 2779 OD1 ASP B 76 -12.087 0.499 -8.588 1.00 32.44 O ATOM 2780 OD2 ASP B 76 -9.949 0.929 -8.723 1.00 22.51 O ATOM 0 H ASP B 76 -12.656 -1.451 -9.241 1.00 62.45 H new ATOM 0 HA ASP B 76 -10.052 -2.261 -9.841 1.00 2.23 H new ATOM 0 HB2 ASP B 76 -11.235 -1.502 -7.110 1.00 73.13 H new ATOM 0 HB3 ASP B 76 -9.563 -1.325 -7.602 1.00 73.13 H new ATOM 2785 N VAL B 77 -11.598 -4.138 -7.580 1.00 62.41 N ATOM 2786 CA VAL B 77 -11.586 -5.371 -6.791 1.00 11.32 C ATOM 2787 C VAL B 77 -12.091 -6.569 -7.631 1.00 4.24 C ATOM 2788 O VAL B 77 -13.236 -6.585 -8.099 1.00 14.33 O ATOM 2789 CB VAL B 77 -12.446 -5.175 -5.483 1.00 11.42 C ATOM 2790 CG1 VAL B 77 -12.687 -6.501 -4.734 1.00 21.33 C ATOM 2791 CG2 VAL B 77 -11.772 -4.142 -4.548 1.00 15.14 C ATOM 0 H VAL B 77 -12.429 -3.568 -7.422 1.00 62.41 H new ATOM 0 HA VAL B 77 -10.561 -5.595 -6.497 1.00 11.32 H new ATOM 0 HB VAL B 77 -13.422 -4.800 -5.792 1.00 11.42 H new ATOM 0 HG11 VAL B 77 -13.283 -6.312 -3.842 1.00 21.33 H new ATOM 0 HG12 VAL B 77 -13.218 -7.195 -5.385 1.00 21.33 H new ATOM 0 HG13 VAL B 77 -11.730 -6.935 -4.445 1.00 21.33 H new ATOM 0 HG21 VAL B 77 -12.376 -4.016 -3.649 1.00 15.14 H new ATOM 0 HG22 VAL B 77 -10.779 -4.495 -4.271 1.00 15.14 H new ATOM 0 HG23 VAL B 77 -11.686 -3.186 -5.064 1.00 15.14 H new ATOM 2801 N VAL B 78 -11.177 -7.520 -7.865 1.00 14.43 N ATOM 2802 CA VAL B 78 -11.466 -8.842 -8.456 1.00 11.04 C ATOM 2803 C VAL B 78 -11.933 -9.810 -7.339 1.00 34.45 C ATOM 2804 O VAL B 78 -12.961 -10.486 -7.465 1.00 40.42 O ATOM 2805 CB VAL B 78 -10.193 -9.437 -9.183 1.00 62.43 C ATOM 2806 CG1 VAL B 78 -10.541 -10.696 -10.011 1.00 2.02 C ATOM 2807 CG2 VAL B 78 -9.493 -8.371 -10.056 1.00 23.04 C ATOM 0 H VAL B 78 -10.189 -7.392 -7.644 1.00 14.43 H new ATOM 0 HA VAL B 78 -12.253 -8.723 -9.201 1.00 11.04 H new ATOM 0 HB VAL B 78 -9.493 -9.743 -8.405 1.00 62.43 H new ATOM 0 HG11 VAL B 78 -9.640 -11.074 -10.494 1.00 2.02 H new ATOM 0 HG12 VAL B 78 -10.949 -11.463 -9.353 1.00 2.02 H new ATOM 0 HG13 VAL B 78 -11.280 -10.439 -10.770 1.00 2.02 H new ATOM 0 HG21 VAL B 78 -8.623 -8.813 -10.541 1.00 23.04 H new ATOM 0 HG22 VAL B 78 -10.187 -8.009 -10.815 1.00 23.04 H new ATOM 0 HG23 VAL B 78 -9.175 -7.538 -9.429 1.00 23.04 H new ATOM 2817 N LYS B 79 -11.143 -9.865 -6.249 1.00 44.45 N ATOM 2818 CA LYS B 79 -11.443 -10.659 -5.032 1.00 15.42 C ATOM 2819 C LYS B 79 -11.433 -9.740 -3.811 1.00 23.31 C ATOM 2820 O LYS B 79 -10.701 -8.752 -3.800 1.00 62.15 O ATOM 2821 CB LYS B 79 -10.376 -11.756 -4.774 1.00 2.52 C ATOM 2822 CG LYS B 79 -10.290 -12.893 -5.806 1.00 34.23 C ATOM 2823 CD LYS B 79 -9.159 -13.899 -5.450 1.00 54.22 C ATOM 2824 CE LYS B 79 -9.345 -14.539 -4.052 1.00 75.02 C ATOM 2825 NZ LYS B 79 -8.114 -15.215 -3.562 1.00 33.42 N ATOM 0 H LYS B 79 -10.264 -9.352 -6.184 1.00 44.45 H new ATOM 0 HA LYS B 79 -12.416 -11.125 -5.189 1.00 15.42 H new ATOM 0 HB2 LYS B 79 -9.400 -11.274 -4.717 1.00 2.52 H new ATOM 0 HB3 LYS B 79 -10.572 -12.198 -3.797 1.00 2.52 H new ATOM 0 HG2 LYS B 79 -11.244 -13.418 -5.852 1.00 34.23 H new ATOM 0 HG3 LYS B 79 -10.108 -12.475 -6.796 1.00 34.23 H new ATOM 0 HD2 LYS B 79 -9.128 -14.686 -6.204 1.00 54.22 H new ATOM 0 HD3 LYS B 79 -8.198 -13.386 -5.485 1.00 54.22 H new ATOM 0 HE2 LYS B 79 -9.639 -13.768 -3.340 1.00 75.02 H new ATOM 0 HE3 LYS B 79 -10.160 -15.262 -4.093 1.00 75.02 H new ATOM 0 HZ1 LYS B 79 -8.377 -16.030 -2.972 1.00 33.42 H new ATOM 0 HZ2 LYS B 79 -7.551 -15.542 -4.373 1.00 33.42 H new ATOM 0 HZ3 LYS B 79 -7.552 -14.546 -2.998 1.00 33.42 H new ATOM 2839 N VAL B 80 -12.210 -10.101 -2.782 1.00 23.42 N ATOM 2840 CA VAL B 80 -12.123 -9.488 -1.443 1.00 61.55 C ATOM 2841 C VAL B 80 -12.441 -10.574 -0.383 1.00 44.04 C ATOM 2842 O VAL B 80 -13.453 -11.280 -0.484 1.00 74.01 O ATOM 2843 CB VAL B 80 -13.072 -8.223 -1.286 1.00 53.33 C ATOM 2844 CG1 VAL B 80 -14.570 -8.595 -1.254 1.00 22.23 C ATOM 2845 CG2 VAL B 80 -12.665 -7.370 -0.060 1.00 23.53 C ATOM 0 H VAL B 80 -12.921 -10.829 -2.851 1.00 23.42 H new ATOM 0 HA VAL B 80 -11.111 -9.112 -1.296 1.00 61.55 H new ATOM 0 HB VAL B 80 -12.934 -7.615 -2.180 1.00 53.33 H new ATOM 0 HG11 VAL B 80 -15.167 -7.690 -1.145 1.00 22.23 H new ATOM 0 HG12 VAL B 80 -14.840 -9.098 -2.182 1.00 22.23 H new ATOM 0 HG13 VAL B 80 -14.762 -9.260 -0.412 1.00 22.23 H new ATOM 0 HG21 VAL B 80 -13.331 -6.511 0.023 1.00 23.53 H new ATOM 0 HG22 VAL B 80 -12.738 -7.974 0.844 1.00 23.53 H new ATOM 0 HG23 VAL B 80 -11.639 -7.023 -0.183 1.00 23.53 H new ATOM 2855 N GLN B 81 -11.547 -10.748 0.599 1.00 23.14 N ATOM 2856 CA GLN B 81 -11.703 -11.765 1.654 1.00 1.15 C ATOM 2857 C GLN B 81 -10.999 -11.307 2.938 1.00 13.11 C ATOM 2858 O GLN B 81 -9.861 -10.833 2.889 1.00 62.45 O ATOM 2859 CB GLN B 81 -11.144 -13.138 1.174 1.00 31.51 C ATOM 2860 CG GLN B 81 -11.265 -14.299 2.194 1.00 63.22 C ATOM 2861 CD GLN B 81 -12.701 -14.569 2.669 1.00 1.14 C ATOM 2862 OE1 GLN B 81 -13.159 -14.011 3.672 1.00 42.34 O ATOM 2863 NE2 GLN B 81 -13.425 -15.417 1.957 1.00 2.12 N ATOM 0 H GLN B 81 -10.697 -10.191 0.687 1.00 23.14 H new ATOM 0 HA GLN B 81 -12.764 -11.889 1.869 1.00 1.15 H new ATOM 0 HB2 GLN B 81 -11.665 -13.424 0.260 1.00 31.51 H new ATOM 0 HB3 GLN B 81 -10.093 -13.013 0.915 1.00 31.51 H new ATOM 0 HG2 GLN B 81 -10.866 -15.208 1.743 1.00 63.22 H new ATOM 0 HG3 GLN B 81 -10.643 -14.073 3.061 1.00 63.22 H new ATOM 0 HE21 GLN B 81 -13.023 -15.864 1.133 1.00 2.12 H new ATOM 0 HE22 GLN B 81 -14.385 -15.624 2.232 1.00 2.12 H new ATOM 2872 N ARG B 82 -11.683 -11.469 4.086 1.00 70.12 N ATOM 2873 CA ARG B 82 -11.141 -11.116 5.406 1.00 60.41 C ATOM 2874 C ARG B 82 -10.637 -12.391 6.090 1.00 54.22 C ATOM 2875 O ARG B 82 -11.405 -13.107 6.739 1.00 43.15 O ATOM 2876 CB ARG B 82 -12.200 -10.393 6.294 1.00 42.10 C ATOM 2877 CG ARG B 82 -12.893 -9.187 5.610 1.00 31.23 C ATOM 2878 CD ARG B 82 -14.165 -9.563 4.831 1.00 51.41 C ATOM 2879 NE ARG B 82 -15.335 -9.692 5.716 1.00 71.20 N ATOM 2880 CZ ARG B 82 -16.615 -9.579 5.327 1.00 50.30 C ATOM 2881 NH1 ARG B 82 -16.925 -9.345 4.050 1.00 32.11 N ATOM 2882 NH2 ARG B 82 -17.584 -9.665 6.228 1.00 75.53 N ATOM 0 H ARG B 82 -12.629 -11.849 4.121 1.00 70.12 H new ATOM 0 HA ARG B 82 -10.316 -10.417 5.271 1.00 60.41 H new ATOM 0 HB2 ARG B 82 -12.962 -11.114 6.590 1.00 42.10 H new ATOM 0 HB3 ARG B 82 -11.716 -10.048 7.208 1.00 42.10 H new ATOM 0 HG2 ARG B 82 -13.148 -8.448 6.369 1.00 31.23 H new ATOM 0 HG3 ARG B 82 -12.187 -8.713 4.928 1.00 31.23 H new ATOM 0 HD2 ARG B 82 -14.364 -8.804 4.074 1.00 51.41 H new ATOM 0 HD3 ARG B 82 -14.003 -10.504 4.304 1.00 51.41 H new ATOM 0 HE ARG B 82 -15.159 -9.882 6.703 1.00 71.20 H new ATOM 0 HH11 ARG B 82 -16.185 -9.250 3.355 1.00 32.11 H new ATOM 0 HH12 ARG B 82 -17.902 -9.262 3.769 1.00 32.11 H new ATOM 0 HH21 ARG B 82 -17.355 -9.816 7.210 1.00 75.53 H new ATOM 0 HH22 ARG B 82 -18.558 -9.580 5.939 1.00 75.53 H new ATOM 2896 N ASN B 83 -9.358 -12.689 5.882 1.00 24.41 N ATOM 2897 CA ASN B 83 -8.696 -13.867 6.459 1.00 14.20 C ATOM 2898 C ASN B 83 -8.119 -13.474 7.821 1.00 22.10 C ATOM 2899 O ASN B 83 -7.130 -12.767 7.870 1.00 60.33 O ATOM 2900 CB ASN B 83 -7.564 -14.371 5.517 1.00 63.23 C ATOM 2901 CG ASN B 83 -8.045 -14.608 4.086 1.00 3.24 C ATOM 2902 OD1 ASN B 83 -8.499 -15.699 3.743 1.00 44.22 O ATOM 2903 ND2 ASN B 83 -7.970 -13.580 3.246 1.00 42.21 N ATOM 0 H ASN B 83 -8.742 -12.118 5.304 1.00 24.41 H new ATOM 0 HA ASN B 83 -9.416 -14.676 6.578 1.00 14.20 H new ATOM 0 HB2 ASN B 83 -6.754 -13.641 5.507 1.00 63.23 H new ATOM 0 HB3 ASN B 83 -7.152 -15.298 5.915 1.00 63.23 H new ATOM 0 HD21 ASN B 83 -8.295 -13.682 2.284 1.00 42.21 H new ATOM 0 HD22 ASN B 83 -7.588 -12.689 3.563 1.00 42.21 H new ATOM 2910 N GLN B 84 -8.714 -13.925 8.925 1.00 4.33 N ATOM 2911 CA GLN B 84 -8.237 -13.553 10.268 1.00 73.32 C ATOM 2912 C GLN B 84 -7.097 -14.506 10.650 1.00 33.24 C ATOM 2913 O GLN B 84 -7.326 -15.649 11.057 1.00 23.02 O ATOM 2914 CB GLN B 84 -9.391 -13.600 11.296 1.00 3.43 C ATOM 2915 CG GLN B 84 -8.969 -13.337 12.759 1.00 24.34 C ATOM 2916 CD GLN B 84 -10.111 -13.424 13.773 1.00 25.21 C ATOM 2917 OE1 GLN B 84 -10.079 -12.773 14.814 1.00 21.25 O ATOM 2918 NE2 GLN B 84 -11.127 -14.235 13.497 1.00 33.34 N ATOM 0 H GLN B 84 -9.523 -14.546 8.922 1.00 4.33 H new ATOM 0 HA GLN B 84 -7.866 -12.528 10.266 1.00 73.32 H new ATOM 0 HB2 GLN B 84 -10.142 -12.863 11.012 1.00 3.43 H new ATOM 0 HB3 GLN B 84 -9.868 -14.579 11.241 1.00 3.43 H new ATOM 0 HG2 GLN B 84 -8.198 -14.056 13.036 1.00 24.34 H new ATOM 0 HG3 GLN B 84 -8.519 -12.346 12.822 1.00 24.34 H new ATOM 0 HE21 GLN B 84 -11.133 -14.766 12.626 1.00 33.34 H new ATOM 0 HE22 GLN B 84 -11.900 -14.326 14.156 1.00 33.34 H new ATOM 2927 N SER B 85 -5.871 -14.026 10.432 1.00 2.10 N ATOM 2928 CA SER B 85 -4.637 -14.796 10.615 1.00 4.51 C ATOM 2929 C SER B 85 -3.514 -13.869 11.102 1.00 42.52 C ATOM 2930 O SER B 85 -3.667 -12.643 11.125 1.00 1.00 O ATOM 2931 CB SER B 85 -4.251 -15.487 9.274 1.00 71.30 C ATOM 2932 OG SER B 85 -3.074 -16.282 9.396 1.00 31.43 O ATOM 0 H SER B 85 -5.704 -13.071 10.116 1.00 2.10 H new ATOM 0 HA SER B 85 -4.792 -15.568 11.369 1.00 4.51 H new ATOM 0 HB2 SER B 85 -5.078 -16.114 8.939 1.00 71.30 H new ATOM 0 HB3 SER B 85 -4.096 -14.728 8.507 1.00 71.30 H new ATOM 0 HG SER B 85 -2.869 -16.698 8.533 1.00 31.43 H new ATOM 2938 N ASP B 86 -2.393 -14.483 11.477 1.00 12.22 N ATOM 2939 CA ASP B 86 -1.179 -13.791 11.937 1.00 23.52 C ATOM 2940 C ASP B 86 -0.480 -13.070 10.755 1.00 63.15 C ATOM 2941 O ASP B 86 -0.649 -13.485 9.595 1.00 12.11 O ATOM 2942 CB ASP B 86 -0.224 -14.826 12.594 1.00 0.02 C ATOM 2943 CG ASP B 86 -0.823 -15.483 13.850 1.00 40.30 C ATOM 2944 OD1 ASP B 86 -1.725 -16.331 13.708 1.00 73.32 O ATOM 2945 OD2 ASP B 86 -0.383 -15.173 14.976 1.00 42.30 O ATOM 0 H ASP B 86 -2.296 -15.498 11.471 1.00 12.22 H new ATOM 0 HA ASP B 86 -1.450 -13.033 12.672 1.00 23.52 H new ATOM 0 HB2 ASP B 86 0.020 -15.600 11.867 1.00 0.02 H new ATOM 0 HB3 ASP B 86 0.711 -14.332 12.859 1.00 0.02 H new ATOM 2950 N PRO B 87 0.341 -11.995 11.024 1.00 41.42 N ATOM 2951 CA PRO B 87 1.057 -11.226 9.965 1.00 4.23 C ATOM 2952 C PRO B 87 2.297 -11.952 9.384 1.00 43.11 C ATOM 2953 O PRO B 87 3.160 -11.314 8.764 1.00 33.12 O ATOM 2954 CB PRO B 87 1.458 -9.926 10.697 1.00 62.34 C ATOM 2955 CG PRO B 87 1.657 -10.345 12.122 1.00 43.21 C ATOM 2956 CD PRO B 87 0.625 -11.429 12.382 1.00 24.11 C ATOM 0 HA PRO B 87 0.428 -11.072 9.088 1.00 4.23 H new ATOM 0 HB2 PRO B 87 2.369 -9.499 10.278 1.00 62.34 H new ATOM 0 HB3 PRO B 87 0.681 -9.166 10.611 1.00 62.34 H new ATOM 0 HG2 PRO B 87 2.668 -10.721 12.282 1.00 43.21 H new ATOM 0 HG3 PRO B 87 1.519 -9.503 12.800 1.00 43.21 H new ATOM 0 HD2 PRO B 87 1.010 -12.191 13.059 1.00 24.11 H new ATOM 0 HD3 PRO B 87 -0.276 -11.021 12.840 1.00 24.11 H new ATOM 2964 N THR B 88 2.354 -13.283 9.543 1.00 45.52 N ATOM 2965 CA THR B 88 3.416 -14.140 8.989 1.00 64.30 C ATOM 2966 C THR B 88 3.362 -14.226 7.444 1.00 2.25 C ATOM 2967 O THR B 88 4.256 -14.810 6.827 1.00 2.22 O ATOM 2968 CB THR B 88 3.307 -15.568 9.609 1.00 42.10 C ATOM 2969 OG1 THR B 88 1.988 -16.096 9.385 1.00 0.31 O ATOM 2970 CG2 THR B 88 3.603 -15.546 11.117 1.00 51.20 C ATOM 0 H THR B 88 1.652 -13.804 10.069 1.00 45.52 H new ATOM 0 HA THR B 88 4.374 -13.689 9.249 1.00 64.30 H new ATOM 0 HB THR B 88 4.048 -16.204 9.125 1.00 42.10 H new ATOM 0 HG1 THR B 88 1.924 -16.993 9.774 1.00 0.31 H new ATOM 0 HG21 THR B 88 3.519 -16.556 11.519 1.00 51.20 H new ATOM 0 HG22 THR B 88 4.613 -15.172 11.284 1.00 51.20 H new ATOM 0 HG23 THR B 88 2.887 -14.895 11.619 1.00 51.20 H new ATOM 2978 N MET B 89 2.306 -13.625 6.850 1.00 41.43 N ATOM 2979 CA MET B 89 2.077 -13.557 5.395 1.00 31.21 C ATOM 2980 C MET B 89 3.266 -12.930 4.622 1.00 40.33 C ATOM 2981 O MET B 89 3.485 -13.272 3.452 1.00 33.24 O ATOM 2982 CB MET B 89 0.778 -12.764 5.117 1.00 21.44 C ATOM 2983 CG MET B 89 -0.494 -13.395 5.704 1.00 12.54 C ATOM 2984 SD MET B 89 -0.859 -15.019 4.999 1.00 61.11 S ATOM 2985 CE MET B 89 -2.446 -15.391 5.752 1.00 52.40 C ATOM 0 H MET B 89 1.572 -13.163 7.387 1.00 41.43 H new ATOM 0 HA MET B 89 1.980 -14.580 5.032 1.00 31.21 H new ATOM 0 HB2 MET B 89 0.889 -11.758 5.521 1.00 21.44 H new ATOM 0 HB3 MET B 89 0.653 -12.663 4.039 1.00 21.44 H new ATOM 0 HG2 MET B 89 -0.382 -13.490 6.784 1.00 12.54 H new ATOM 0 HG3 MET B 89 -1.339 -12.729 5.528 1.00 12.54 H new ATOM 0 HE1 MET B 89 -2.701 -16.434 5.567 1.00 52.40 H new ATOM 0 HE2 MET B 89 -2.389 -15.217 6.826 1.00 52.40 H new ATOM 0 HE3 MET B 89 -3.213 -14.748 5.320 1.00 52.40 H new ATOM 2995 N PHE B 90 4.018 -12.012 5.285 1.00 10.13 N ATOM 2996 CA PHE B 90 5.268 -11.429 4.733 1.00 20.43 C ATOM 2997 C PHE B 90 6.288 -12.544 4.407 1.00 41.22 C ATOM 2998 O PHE B 90 6.758 -12.652 3.277 1.00 42.44 O ATOM 2999 CB PHE B 90 5.914 -10.418 5.732 1.00 61.21 C ATOM 3000 CG PHE B 90 5.179 -9.082 5.883 1.00 24.30 C ATOM 3001 CD1 PHE B 90 4.063 -8.963 6.708 1.00 22.30 C ATOM 3002 CD2 PHE B 90 5.621 -7.939 5.204 1.00 1.31 C ATOM 3003 CE1 PHE B 90 3.414 -7.752 6.849 1.00 44.30 C ATOM 3004 CE2 PHE B 90 4.969 -6.728 5.349 1.00 23.34 C ATOM 3005 CZ PHE B 90 3.865 -6.634 6.173 1.00 14.43 C ATOM 0 H PHE B 90 3.776 -11.658 6.211 1.00 10.13 H new ATOM 0 HA PHE B 90 5.003 -10.897 3.819 1.00 20.43 H new ATOM 0 HB2 PHE B 90 5.977 -10.891 6.712 1.00 61.21 H new ATOM 0 HB3 PHE B 90 6.935 -10.217 5.409 1.00 61.21 H new ATOM 0 HD1 PHE B 90 3.701 -9.828 7.244 1.00 22.30 H new ATOM 0 HD2 PHE B 90 6.484 -8.005 4.558 1.00 1.31 H new ATOM 0 HE1 PHE B 90 2.549 -7.678 7.491 1.00 44.30 H new ATOM 0 HE2 PHE B 90 5.323 -5.857 4.818 1.00 23.34 H new ATOM 0 HZ PHE B 90 3.355 -5.689 6.289 1.00 14.43 H new ATOM 3015 N ASN B 91 6.587 -13.375 5.423 1.00 24.23 N ATOM 3016 CA ASN B 91 7.544 -14.497 5.312 1.00 3.51 C ATOM 3017 C ASN B 91 6.991 -15.618 4.414 1.00 33.35 C ATOM 3018 O ASN B 91 7.749 -16.259 3.671 1.00 50.53 O ATOM 3019 CB ASN B 91 7.868 -15.049 6.725 1.00 12.13 C ATOM 3020 CG ASN B 91 8.843 -16.233 6.715 1.00 71.03 C ATOM 3021 OD1 ASN B 91 10.060 -16.056 6.741 1.00 15.54 O ATOM 3022 ND2 ASN B 91 8.315 -17.449 6.682 1.00 21.11 N ATOM 0 H ASN B 91 6.170 -13.288 6.350 1.00 24.23 H new ATOM 0 HA ASN B 91 8.458 -14.124 4.851 1.00 3.51 H new ATOM 0 HB2 ASN B 91 8.290 -14.247 7.331 1.00 12.13 H new ATOM 0 HB3 ASN B 91 6.940 -15.358 7.207 1.00 12.13 H new ATOM 0 HD21 ASN B 91 8.922 -18.269 6.678 1.00 21.11 H new ATOM 0 HD22 ASN B 91 7.302 -17.565 6.661 1.00 21.11 H new ATOM 3029 N LYS B 92 5.662 -15.815 4.490 1.00 73.32 N ATOM 3030 CA LYS B 92 4.949 -16.881 3.771 1.00 50.10 C ATOM 3031 C LYS B 92 5.161 -16.762 2.250 1.00 44.14 C ATOM 3032 O LYS B 92 5.434 -17.758 1.577 1.00 45.30 O ATOM 3033 CB LYS B 92 3.438 -16.847 4.129 1.00 24.21 C ATOM 3034 CG LYS B 92 2.605 -18.005 3.532 1.00 11.15 C ATOM 3035 CD LYS B 92 3.084 -19.395 4.023 1.00 44.20 C ATOM 3036 CE LYS B 92 2.312 -20.556 3.381 1.00 52.01 C ATOM 3037 NZ LYS B 92 2.810 -21.878 3.845 1.00 41.11 N ATOM 0 H LYS B 92 5.049 -15.231 5.059 1.00 73.32 H new ATOM 0 HA LYS B 92 5.357 -17.842 4.083 1.00 50.10 H new ATOM 0 HB2 LYS B 92 3.335 -16.866 5.214 1.00 24.21 H new ATOM 0 HB3 LYS B 92 3.019 -15.901 3.785 1.00 24.21 H new ATOM 0 HG2 LYS B 92 1.557 -17.870 3.800 1.00 11.15 H new ATOM 0 HG3 LYS B 92 2.664 -17.967 2.444 1.00 11.15 H new ATOM 0 HD2 LYS B 92 4.146 -19.506 3.803 1.00 44.20 H new ATOM 0 HD3 LYS B 92 2.976 -19.449 5.106 1.00 44.20 H new ATOM 0 HE2 LYS B 92 1.253 -20.463 3.620 1.00 52.01 H new ATOM 0 HE3 LYS B 92 2.401 -20.495 2.296 1.00 52.01 H new ATOM 0 HZ1 LYS B 92 2.263 -22.635 3.388 1.00 41.11 H new ATOM 0 HZ2 LYS B 92 3.815 -21.978 3.595 1.00 41.11 H new ATOM 0 HZ3 LYS B 92 2.702 -21.947 4.877 1.00 41.11 H new ATOM 3051 N ILE B 93 5.048 -15.531 1.732 1.00 21.02 N ATOM 3052 CA ILE B 93 5.282 -15.257 0.307 1.00 72.11 C ATOM 3053 C ILE B 93 6.781 -15.114 -0.007 1.00 32.21 C ATOM 3054 O ILE B 93 7.192 -15.457 -1.101 1.00 70.31 O ATOM 3055 CB ILE B 93 4.527 -13.973 -0.189 1.00 63.13 C ATOM 3056 CG1 ILE B 93 5.122 -12.674 0.453 1.00 30.30 C ATOM 3057 CG2 ILE B 93 3.015 -14.104 0.105 1.00 12.05 C ATOM 3058 CD1 ILE B 93 4.573 -11.365 -0.085 1.00 71.35 C ATOM 0 H ILE B 93 4.796 -14.708 2.279 1.00 21.02 H new ATOM 0 HA ILE B 93 4.884 -16.119 -0.228 1.00 72.11 H new ATOM 0 HB ILE B 93 4.665 -13.887 -1.267 1.00 63.13 H new ATOM 0 HG12 ILE B 93 4.944 -12.707 1.528 1.00 30.30 H new ATOM 0 HG13 ILE B 93 6.202 -12.681 0.308 1.00 30.30 H new ATOM 0 HG21 ILE B 93 2.498 -13.209 -0.242 1.00 12.05 H new ATOM 0 HG22 ILE B 93 2.618 -14.977 -0.413 1.00 12.05 H new ATOM 0 HG23 ILE B 93 2.862 -14.219 1.178 1.00 12.05 H new ATOM 0 HD11 ILE B 93 5.052 -10.531 0.428 1.00 71.35 H new ATOM 0 HD12 ILE B 93 4.775 -11.298 -1.154 1.00 71.35 H new ATOM 0 HD13 ILE B 93 3.497 -11.325 0.084 1.00 71.35 H new ATOM 3070 N ALA B 94 7.572 -14.605 0.971 1.00 40.44 N ATOM 3071 CA ALA B 94 8.988 -14.218 0.759 1.00 4.15 C ATOM 3072 C ALA B 94 9.863 -15.404 0.330 1.00 53.45 C ATOM 3073 O ALA B 94 10.799 -15.234 -0.459 1.00 64.03 O ATOM 3074 CB ALA B 94 9.550 -13.563 2.028 1.00 24.00 C ATOM 0 H ALA B 94 7.246 -14.452 1.925 1.00 40.44 H new ATOM 0 HA ALA B 94 9.010 -13.499 -0.060 1.00 4.15 H new ATOM 0 HB1 ALA B 94 10.590 -13.282 1.863 1.00 24.00 H new ATOM 0 HB2 ALA B 94 8.968 -12.673 2.267 1.00 24.00 H new ATOM 0 HB3 ALA B 94 9.492 -14.268 2.857 1.00 24.00 H new ATOM 3080 N VAL B 95 9.533 -16.602 0.848 1.00 64.53 N ATOM 3081 CA VAL B 95 10.227 -17.844 0.469 1.00 75.04 C ATOM 3082 C VAL B 95 9.974 -18.195 -1.021 1.00 63.23 C ATOM 3083 O VAL B 95 10.865 -18.707 -1.699 1.00 2.03 O ATOM 3084 CB VAL B 95 9.822 -19.042 1.408 1.00 14.40 C ATOM 3085 CG1 VAL B 95 10.201 -18.740 2.874 1.00 32.04 C ATOM 3086 CG2 VAL B 95 8.321 -19.385 1.294 1.00 42.40 C ATOM 0 H VAL B 95 8.788 -16.734 1.532 1.00 64.53 H new ATOM 0 HA VAL B 95 11.296 -17.672 0.597 1.00 75.04 H new ATOM 0 HB VAL B 95 10.381 -19.916 1.075 1.00 14.40 H new ATOM 0 HG11 VAL B 95 9.912 -19.581 3.505 1.00 32.04 H new ATOM 0 HG12 VAL B 95 11.277 -18.584 2.947 1.00 32.04 H new ATOM 0 HG13 VAL B 95 9.681 -17.841 3.206 1.00 32.04 H new ATOM 0 HG21 VAL B 95 8.086 -20.217 1.959 1.00 42.40 H new ATOM 0 HG22 VAL B 95 7.727 -18.516 1.576 1.00 42.40 H new ATOM 0 HG23 VAL B 95 8.089 -19.665 0.267 1.00 42.40 H new ATOM 3096 N PHE B 96 8.753 -17.904 -1.513 1.00 61.51 N ATOM 3097 CA PHE B 96 8.366 -18.113 -2.930 1.00 2.34 C ATOM 3098 C PHE B 96 8.767 -16.905 -3.805 1.00 20.43 C ATOM 3099 O PHE B 96 8.914 -17.047 -5.023 1.00 12.41 O ATOM 3100 CB PHE B 96 6.829 -18.339 -3.050 1.00 45.22 C ATOM 3101 CG PHE B 96 6.311 -19.602 -2.365 1.00 21.22 C ATOM 3102 CD1 PHE B 96 6.500 -20.857 -2.952 1.00 42.41 C ATOM 3103 CD2 PHE B 96 5.636 -19.545 -1.143 1.00 31.53 C ATOM 3104 CE1 PHE B 96 6.032 -22.005 -2.341 1.00 72.31 C ATOM 3105 CE2 PHE B 96 5.170 -20.695 -0.531 1.00 20.45 C ATOM 3106 CZ PHE B 96 5.367 -21.922 -1.130 1.00 42.44 C ATOM 0 H PHE B 96 8.003 -17.516 -0.941 1.00 61.51 H new ATOM 0 HA PHE B 96 8.896 -18.997 -3.284 1.00 2.34 H new ATOM 0 HB2 PHE B 96 6.315 -17.476 -2.626 1.00 45.22 H new ATOM 0 HB3 PHE B 96 6.564 -18.381 -4.106 1.00 45.22 H new ATOM 0 HD1 PHE B 96 7.019 -20.930 -3.896 1.00 42.41 H new ATOM 0 HD2 PHE B 96 5.475 -18.588 -0.669 1.00 31.53 H new ATOM 0 HE1 PHE B 96 6.185 -22.967 -2.808 1.00 72.31 H new ATOM 0 HE2 PHE B 96 4.652 -20.632 0.415 1.00 20.45 H new ATOM 0 HZ PHE B 96 5.002 -22.819 -0.653 1.00 42.44 H new