USER MOD reduce.3.24.130724 H: found=0, std=0, add=1106, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1108 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: A 11 TYR OH : rot -140:sc= 2.35 USER MOD Set 1.2: A 168 LYS NZ :NH3+ -161:sc= 1.23 (180deg=0.00257) USER MOD Set 2.1: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 160 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 64 LYS NZ :NH3+ 160:sc= 1.09 (180deg=-0.674) USER MOD Set 3.2: A 67 ASN : amide:sc= 1.45! C(o=3.8!,f=-11!) USER MOD Set 3.3: A 100 ASN : amide:sc= 1.21 K(o=3.8,f=-4.7!) USER MOD Set 4.1: A 21 GLN : amide:sc= -0.0934 K(o=2.4,f=-7!) USER MOD Set 4.2: A 88 LYS NZ :NH3+ 158:sc= 2.53 (180deg=1.17) USER MOD Set 5.1: A 19 GLN : amide:sc= 1.16 K(o=2.1,f=-0.19) USER MOD Set 5.2: A 25 ASN : amide:sc= 0.985 K(o=2.1,f=-1.6) USER MOD Set 6.1: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 27 SER OG : rot -170:sc= 1.18 USER MOD Single : A 10 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.38) USER MOD Single : A 20 ASN : amide:sc= 0.0276 K(o=0.028,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ -167:sc= 1.2 (180deg=0.885) USER MOD Single : A 30 SER OG : rot -150:sc= 0.749 USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= 2.27 (180deg=-0.38) USER MOD Single : A 43 THR OG1 : rot 160:sc= 0.384 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl -169:sc= 0 (180deg=-0.0336) USER MOD Single : A 53 THR OG1 : rot 139:sc= 1.09 USER MOD Single : A 55 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.38) USER MOD Single : A 56 MET CE :methyl 169:sc= -0.117 (180deg=-0.437) USER MOD Single : A 57 THR OG1 : rot -165:sc= 1.12 USER MOD Single : A 60 GLN : amide:sc= 0.0707 K(o=0.071,f=-2.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 140:sc= 0.181 (180deg=-2.17!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0962 USER MOD Single : A 76 SER OG : rot 180:sc= -0.158 USER MOD Single : A 81 ASN : amide:sc= 1.11 K(o=1.1,f=-0.14) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0673 X(o=-0.067,f=-0.24) USER MOD Single : A 94 TYR OH : rot 180:sc= 0.821 USER MOD Single : A 97 SER OG : rot -173:sc= 1.36 USER MOD Single : A 105 THR OG1 : rot -76:sc= 0.27 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0.105 USER MOD Single : A 109 GLN : amide:sc= -4.12 K(o=-4.1,f=-2.4!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ -174:sc= 1.85 (180deg=1.38!) USER MOD Single : A 119 SER OG : rot 78:sc= 0.736 USER MOD Single : A 138 SER OG : rot 163:sc= 0.858 USER MOD Single : A 140 TYR OH : rot 133:sc= 1.45 USER MOD Single : A 147 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.038) USER MOD Single : A 150 LYS NZ :NH3+ 170:sc= -0.0106 (180deg=-0.131) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -0.553 K(o=-0.55,f=-3.2!) USER MOD Single : A 165 SER OG : rot -39:sc= 1.18 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 171 SER OG : rot -35:sc= 0.0741 USER MOD Single : A 172 THR OG1 : rot 180:sc= -0.0619 USER MOD ----------------------------------------------------------------- ATOM 112 N ASP A 7 -15.800 -9.533 9.390 1.00 1.13 N ATOM 113 CA ASP A 7 -15.475 -9.271 7.999 1.00 0.99 C ATOM 114 C ASP A 7 -14.030 -9.708 7.696 1.00 0.83 C ATOM 115 O ASP A 7 -13.178 -8.881 7.379 1.00 0.88 O ATOM 116 CB ASP A 7 -15.678 -7.758 7.742 1.00 1.17 C ATOM 117 CG ASP A 7 -15.096 -6.818 8.809 1.00 1.95 C ATOM 118 OD1 ASP A 7 -14.570 -7.321 9.834 1.00 2.28 O ATOM 119 OD2 ASP A 7 -15.239 -5.595 8.616 1.00 3.29 O ATOM 0 HA ASP A 7 -16.125 -9.842 7.336 1.00 0.99 H new ATOM 0 HB2 ASP A 7 -15.230 -7.508 6.780 1.00 1.17 H new ATOM 0 HB3 ASP A 7 -16.747 -7.563 7.656 1.00 1.17 H new ATOM 124 N PRO A 8 -13.709 -11.013 7.771 1.00 0.91 N ATOM 125 CA PRO A 8 -12.374 -11.508 7.470 1.00 0.96 C ATOM 126 C PRO A 8 -12.122 -11.510 5.959 1.00 0.86 C ATOM 127 O PRO A 8 -13.038 -11.757 5.174 1.00 1.22 O ATOM 128 CB PRO A 8 -12.347 -12.933 8.028 1.00 1.28 C ATOM 129 CG PRO A 8 -13.795 -13.389 7.852 1.00 1.39 C ATOM 130 CD PRO A 8 -14.587 -12.112 8.138 1.00 1.20 C ATOM 0 HA PRO A 8 -11.597 -10.882 7.909 1.00 0.96 H new ATOM 0 HB2 PRO A 8 -11.652 -13.570 7.480 1.00 1.28 H new ATOM 0 HB3 PRO A 8 -12.040 -12.953 9.074 1.00 1.28 H new ATOM 0 HG2 PRO A 8 -13.982 -13.764 6.846 1.00 1.39 H new ATOM 0 HG3 PRO A 8 -14.054 -14.190 8.544 1.00 1.39 H new ATOM 0 HD2 PRO A 8 -15.510 -12.086 7.559 1.00 1.20 H new ATOM 0 HD3 PRO A 8 -14.869 -12.053 9.189 1.00 1.20 H new ATOM 138 N LEU A 9 -10.869 -11.273 5.553 1.00 0.64 N ATOM 139 CA LEU A 9 -10.424 -11.361 4.164 1.00 0.58 C ATOM 140 C LEU A 9 -9.314 -12.407 4.052 1.00 0.61 C ATOM 141 O LEU A 9 -8.759 -12.847 5.059 1.00 0.63 O ATOM 142 CB LEU A 9 -10.000 -10.011 3.555 1.00 0.61 C ATOM 143 CG LEU A 9 -10.085 -8.815 4.501 1.00 0.70 C ATOM 144 CD1 LEU A 9 -9.180 -7.709 3.983 1.00 0.87 C ATOM 145 CD2 LEU A 9 -11.507 -8.277 4.626 1.00 0.73 C ATOM 0 H LEU A 9 -10.123 -11.009 6.197 1.00 0.64 H new ATOM 0 HA LEU A 9 -11.283 -11.672 3.570 1.00 0.58 H new ATOM 0 HB2 LEU A 9 -8.974 -10.098 3.197 1.00 0.61 H new ATOM 0 HB3 LEU A 9 -10.625 -9.811 2.685 1.00 0.61 H new ATOM 0 HG LEU A 9 -9.769 -9.149 5.489 1.00 0.70 H new ATOM 0 HD11 LEU A 9 -9.235 -6.851 4.653 1.00 0.87 H new ATOM 0 HD12 LEU A 9 -8.153 -8.070 3.939 1.00 0.87 H new ATOM 0 HD13 LEU A 9 -9.503 -7.412 2.985 1.00 0.87 H new ATOM 0 HD21 LEU A 9 -11.516 -7.428 5.309 1.00 0.73 H new ATOM 0 HD22 LEU A 9 -11.863 -7.959 3.646 1.00 0.73 H new ATOM 0 HD23 LEU A 9 -12.160 -9.060 5.012 1.00 0.73 H new ATOM 157 N ASN A 10 -9.001 -12.803 2.816 1.00 0.68 N ATOM 158 CA ASN A 10 -7.903 -13.693 2.453 1.00 0.77 C ATOM 159 C ASN A 10 -7.484 -13.300 1.037 1.00 0.81 C ATOM 160 O ASN A 10 -7.505 -14.111 0.117 1.00 0.94 O ATOM 161 CB ASN A 10 -8.360 -15.166 2.499 1.00 0.92 C ATOM 162 CG ASN A 10 -8.997 -15.587 3.822 1.00 1.22 C ATOM 163 OD1 ASN A 10 -10.213 -15.727 3.935 1.00 3.00 O ATOM 164 ND2 ASN A 10 -8.179 -15.779 4.853 1.00 1.74 N ATOM 0 H ASN A 10 -9.535 -12.495 2.003 1.00 0.68 H new ATOM 0 HA ASN A 10 -7.070 -13.599 3.150 1.00 0.77 H new ATOM 0 HB2 ASN A 10 -9.075 -15.337 1.694 1.00 0.92 H new ATOM 0 HB3 ASN A 10 -7.500 -15.807 2.303 1.00 0.92 H new ATOM 0 HD21 ASN A 10 -8.558 -16.048 5.761 1.00 1.74 H new ATOM 0 HD22 ASN A 10 -7.173 -15.657 4.736 1.00 1.74 H new ATOM 171 N TYR A 11 -7.131 -12.027 0.860 1.00 0.75 N ATOM 172 CA TYR A 11 -7.048 -11.420 -0.467 1.00 0.88 C ATOM 173 C TYR A 11 -5.624 -11.565 -0.991 1.00 1.01 C ATOM 174 O TYR A 11 -4.698 -11.120 -0.323 1.00 0.73 O ATOM 175 CB TYR A 11 -7.454 -9.946 -0.337 1.00 0.85 C ATOM 176 CG TYR A 11 -8.076 -9.228 -1.529 1.00 0.96 C ATOM 177 CD1 TYR A 11 -8.190 -9.829 -2.801 1.00 1.84 C ATOM 178 CD2 TYR A 11 -8.473 -7.885 -1.367 1.00 2.12 C ATOM 179 CE1 TYR A 11 -8.786 -9.126 -3.861 1.00 1.86 C ATOM 180 CE2 TYR A 11 -9.029 -7.167 -2.443 1.00 2.24 C ATOM 181 CZ TYR A 11 -9.156 -7.783 -3.698 1.00 1.22 C ATOM 182 OH TYR A 11 -9.911 -7.182 -4.663 1.00 1.37 O ATOM 0 H TYR A 11 -6.897 -11.393 1.624 1.00 0.75 H new ATOM 0 HA TYR A 11 -7.716 -11.911 -1.175 1.00 0.88 H new ATOM 0 HB2 TYR A 11 -8.159 -9.874 0.491 1.00 0.85 H new ATOM 0 HB3 TYR A 11 -6.564 -9.387 -0.048 1.00 0.85 H new ATOM 0 HD1 TYR A 11 -7.819 -10.831 -2.959 1.00 1.84 H new ATOM 0 HD2 TYR A 11 -8.350 -7.402 -0.409 1.00 2.12 H new ATOM 0 HE1 TYR A 11 -8.960 -9.621 -4.805 1.00 1.86 H new ATOM 0 HE2 TYR A 11 -9.356 -6.147 -2.303 1.00 2.24 H new ATOM 0 HH TYR A 11 -9.592 -6.266 -4.805 1.00 1.37 H new ATOM 192 N GLU A 12 -5.420 -12.198 -2.143 1.00 1.56 N ATOM 193 CA GLU A 12 -4.104 -12.671 -2.535 1.00 1.72 C ATOM 194 C GLU A 12 -3.210 -11.515 -3.004 1.00 1.57 C ATOM 195 O GLU A 12 -3.267 -11.130 -4.167 1.00 1.94 O ATOM 196 CB GLU A 12 -4.275 -13.680 -3.676 1.00 2.58 C ATOM 197 CG GLU A 12 -5.134 -14.901 -3.318 1.00 3.28 C ATOM 198 CD GLU A 12 -5.334 -15.740 -4.569 1.00 4.35 C ATOM 199 OE1 GLU A 12 -5.967 -15.210 -5.510 1.00 5.78 O ATOM 200 OE2 GLU A 12 -4.731 -16.826 -4.665 1.00 4.26 O ATOM 0 H GLU A 12 -6.156 -12.394 -2.822 1.00 1.56 H new ATOM 0 HA GLU A 12 -3.624 -13.135 -1.674 1.00 1.72 H new ATOM 0 HB2 GLU A 12 -4.724 -13.172 -4.530 1.00 2.58 H new ATOM 0 HB3 GLU A 12 -3.290 -14.024 -3.992 1.00 2.58 H new ATOM 0 HG2 GLU A 12 -4.647 -15.491 -2.541 1.00 3.28 H new ATOM 0 HG3 GLU A 12 -6.097 -14.582 -2.919 1.00 3.28 H new ATOM 207 N VAL A 13 -2.332 -11.007 -2.136 1.00 1.21 N ATOM 208 CA VAL A 13 -1.183 -10.234 -2.575 1.00 1.03 C ATOM 209 C VAL A 13 -0.165 -11.275 -3.060 1.00 0.94 C ATOM 210 O VAL A 13 0.117 -12.254 -2.367 1.00 1.04 O ATOM 211 CB VAL A 13 -0.680 -9.345 -1.418 1.00 0.94 C ATOM 212 CG1 VAL A 13 0.784 -9.557 -1.067 1.00 2.13 C ATOM 213 CG2 VAL A 13 -0.876 -7.853 -1.660 1.00 2.27 C ATOM 0 H VAL A 13 -2.401 -11.121 -1.125 1.00 1.21 H new ATOM 0 HA VAL A 13 -1.401 -9.537 -3.384 1.00 1.03 H new ATOM 0 HB VAL A 13 -1.305 -9.669 -0.585 1.00 0.94 H new ATOM 0 HG11 VAL A 13 1.061 -8.896 -0.245 1.00 2.13 H new ATOM 0 HG12 VAL A 13 0.940 -10.593 -0.767 1.00 2.13 H new ATOM 0 HG13 VAL A 13 1.403 -9.334 -1.936 1.00 2.13 H new ATOM 0 HG21 VAL A 13 -0.499 -7.293 -0.804 1.00 2.27 H new ATOM 0 HG22 VAL A 13 -0.332 -7.555 -2.557 1.00 2.27 H new ATOM 0 HG23 VAL A 13 -1.937 -7.642 -1.792 1.00 2.27 H new ATOM 223 N GLU A 14 0.348 -11.083 -4.272 1.00 1.01 N ATOM 224 CA GLU A 14 1.176 -12.078 -4.950 1.00 0.97 C ATOM 225 C GLU A 14 2.668 -11.877 -4.668 1.00 0.80 C ATOM 226 O GLU A 14 3.134 -10.734 -4.673 1.00 0.80 O ATOM 227 CB GLU A 14 0.915 -12.067 -6.453 1.00 1.07 C ATOM 228 CG GLU A 14 -0.457 -12.657 -6.806 1.00 1.86 C ATOM 229 CD GLU A 14 -0.565 -14.153 -6.518 1.00 2.43 C ATOM 230 OE1 GLU A 14 0.490 -14.819 -6.488 1.00 2.84 O ATOM 231 OE2 GLU A 14 -1.715 -14.614 -6.345 1.00 3.54 O ATOM 0 H GLU A 14 0.201 -10.231 -4.814 1.00 1.01 H new ATOM 0 HA GLU A 14 0.895 -13.052 -4.549 1.00 0.97 H new ATOM 0 HB2 GLU A 14 0.975 -11.044 -6.823 1.00 1.07 H new ATOM 0 HB3 GLU A 14 1.695 -12.636 -6.960 1.00 1.07 H new ATOM 0 HG2 GLU A 14 -1.227 -12.129 -6.243 1.00 1.86 H new ATOM 0 HG3 GLU A 14 -0.659 -12.482 -7.863 1.00 1.86 H new ATOM 238 N PRO A 15 3.434 -12.961 -4.448 1.00 0.71 N ATOM 239 CA PRO A 15 4.888 -12.929 -4.430 1.00 0.63 C ATOM 240 C PRO A 15 5.459 -12.252 -5.675 1.00 0.69 C ATOM 241 O PRO A 15 4.983 -12.490 -6.782 1.00 0.85 O ATOM 242 CB PRO A 15 5.342 -14.387 -4.330 1.00 0.71 C ATOM 243 CG PRO A 15 4.174 -15.045 -3.599 1.00 0.74 C ATOM 244 CD PRO A 15 2.969 -14.315 -4.189 1.00 0.79 C ATOM 0 HA PRO A 15 5.252 -12.341 -3.587 1.00 0.63 H new ATOM 0 HB2 PRO A 15 5.507 -14.829 -5.312 1.00 0.71 H new ATOM 0 HB3 PRO A 15 6.275 -14.485 -3.775 1.00 0.71 H new ATOM 0 HG2 PRO A 15 4.130 -16.118 -3.785 1.00 0.74 H new ATOM 0 HG3 PRO A 15 4.242 -14.911 -2.519 1.00 0.74 H new ATOM 0 HD2 PRO A 15 2.627 -14.796 -5.105 1.00 0.79 H new ATOM 0 HD3 PRO A 15 2.129 -14.317 -3.495 1.00 0.79 H new ATOM 252 N PHE A 16 6.489 -11.422 -5.497 1.00 0.60 N ATOM 253 CA PHE A 16 7.180 -10.727 -6.564 1.00 0.64 C ATOM 254 C PHE A 16 8.419 -10.103 -5.928 1.00 0.52 C ATOM 255 O PHE A 16 8.518 -10.073 -4.693 1.00 0.50 O ATOM 256 CB PHE A 16 6.271 -9.664 -7.200 1.00 0.78 C ATOM 257 CG PHE A 16 6.801 -9.090 -8.498 1.00 0.97 C ATOM 258 CD1 PHE A 16 6.706 -9.848 -9.680 1.00 1.72 C ATOM 259 CD2 PHE A 16 7.401 -7.817 -8.530 1.00 2.12 C ATOM 260 CE1 PHE A 16 7.192 -9.327 -10.892 1.00 1.93 C ATOM 261 CE2 PHE A 16 7.897 -7.303 -9.740 1.00 2.28 C ATOM 262 CZ PHE A 16 7.786 -8.055 -10.923 1.00 1.56 C ATOM 0 H PHE A 16 6.870 -11.214 -4.574 1.00 0.60 H new ATOM 0 HA PHE A 16 7.460 -11.405 -7.371 1.00 0.64 H new ATOM 0 HB2 PHE A 16 5.290 -10.103 -7.384 1.00 0.78 H new ATOM 0 HB3 PHE A 16 6.128 -8.851 -6.488 1.00 0.78 H new ATOM 0 HD1 PHE A 16 6.259 -10.831 -9.656 1.00 1.72 H new ATOM 0 HD2 PHE A 16 7.480 -7.235 -7.624 1.00 2.12 H new ATOM 0 HE1 PHE A 16 7.108 -9.906 -11.800 1.00 1.93 H new ATOM 0 HE2 PHE A 16 8.364 -6.329 -9.761 1.00 2.28 H new ATOM 0 HZ PHE A 16 8.157 -7.655 -11.855 1.00 1.56 H new ATOM 272 N THR A 17 9.337 -9.627 -6.770 1.00 0.54 N ATOM 273 CA THR A 17 10.585 -8.997 -6.379 1.00 0.49 C ATOM 274 C THR A 17 10.507 -7.520 -6.752 1.00 0.46 C ATOM 275 O THR A 17 10.599 -7.169 -7.926 1.00 0.67 O ATOM 276 CB THR A 17 11.761 -9.704 -7.063 1.00 0.68 C ATOM 277 OG1 THR A 17 11.611 -11.102 -6.915 1.00 0.90 O ATOM 278 CG2 THR A 17 13.070 -9.267 -6.402 1.00 0.68 C ATOM 0 H THR A 17 9.221 -9.675 -7.782 1.00 0.54 H new ATOM 0 HA THR A 17 10.746 -9.079 -5.304 1.00 0.49 H new ATOM 0 HB THR A 17 11.780 -9.443 -8.121 1.00 0.68 H new ATOM 0 HG1 THR A 17 12.359 -11.559 -7.352 1.00 0.90 H new ATOM 0 HG21 THR A 17 13.908 -9.769 -6.887 1.00 0.68 H new ATOM 0 HG22 THR A 17 13.186 -8.188 -6.503 1.00 0.68 H new ATOM 0 HG23 THR A 17 13.050 -9.533 -5.345 1.00 0.68 H new ATOM 286 N PHE A 18 10.315 -6.654 -5.759 1.00 0.36 N ATOM 287 CA PHE A 18 10.131 -5.228 -5.956 1.00 0.39 C ATOM 288 C PHE A 18 11.457 -4.518 -5.701 1.00 0.36 C ATOM 289 O PHE A 18 12.383 -5.109 -5.142 1.00 0.35 O ATOM 290 CB PHE A 18 9.087 -4.717 -4.959 1.00 0.42 C ATOM 291 CG PHE A 18 7.824 -5.554 -4.858 1.00 0.44 C ATOM 292 CD1 PHE A 18 6.736 -5.309 -5.717 1.00 1.55 C ATOM 293 CD2 PHE A 18 7.733 -6.580 -3.897 1.00 1.60 C ATOM 294 CE1 PHE A 18 5.561 -6.072 -5.604 1.00 1.62 C ATOM 295 CE2 PHE A 18 6.572 -7.364 -3.808 1.00 1.58 C ATOM 296 CZ PHE A 18 5.473 -7.091 -4.640 1.00 0.64 C ATOM 0 H PHE A 18 10.283 -6.935 -4.779 1.00 0.36 H new ATOM 0 HA PHE A 18 9.796 -5.032 -6.974 1.00 0.39 H new ATOM 0 HB2 PHE A 18 9.547 -4.662 -3.972 1.00 0.42 H new ATOM 0 HB3 PHE A 18 8.809 -3.701 -5.238 1.00 0.42 H new ATOM 0 HD1 PHE A 18 6.804 -4.533 -6.465 1.00 1.55 H new ATOM 0 HD2 PHE A 18 8.559 -6.764 -3.226 1.00 1.60 H new ATOM 0 HE1 PHE A 18 4.725 -5.875 -6.259 1.00 1.62 H new ATOM 0 HE2 PHE A 18 6.523 -8.178 -3.099 1.00 1.58 H new ATOM 0 HZ PHE A 18 4.563 -7.663 -4.539 1.00 0.64 H new ATOM 306 N GLN A 19 11.528 -3.229 -6.049 1.00 0.39 N ATOM 307 CA GLN A 19 12.583 -2.347 -5.590 1.00 0.39 C ATOM 308 C GLN A 19 11.952 -1.223 -4.775 1.00 0.39 C ATOM 309 O GLN A 19 10.883 -0.727 -5.134 1.00 0.44 O ATOM 310 CB GLN A 19 13.381 -1.789 -6.770 1.00 0.50 C ATOM 311 CG GLN A 19 13.913 -2.910 -7.668 1.00 0.64 C ATOM 312 CD GLN A 19 14.977 -2.379 -8.622 1.00 1.22 C ATOM 313 OE1 GLN A 19 14.670 -1.656 -9.565 1.00 1.66 O ATOM 314 NE2 GLN A 19 16.237 -2.721 -8.387 1.00 1.80 N ATOM 0 H GLN A 19 10.848 -2.775 -6.660 1.00 0.39 H new ATOM 0 HA GLN A 19 13.282 -2.903 -4.966 1.00 0.39 H new ATOM 0 HB2 GLN A 19 12.748 -1.122 -7.355 1.00 0.50 H new ATOM 0 HB3 GLN A 19 14.214 -1.193 -6.398 1.00 0.50 H new ATOM 0 HG2 GLN A 19 14.333 -3.706 -7.053 1.00 0.64 H new ATOM 0 HG3 GLN A 19 13.092 -3.347 -8.237 1.00 0.64 H new ATOM 0 HE21 GLN A 19 16.463 -3.323 -7.596 1.00 1.80 H new ATOM 0 HE22 GLN A 19 16.980 -2.381 -8.998 1.00 1.80 H new ATOM 323 N ASN A 20 12.598 -0.853 -3.672 1.00 0.40 N ATOM 324 CA ASN A 20 12.180 0.242 -2.808 1.00 0.42 C ATOM 325 C ASN A 20 12.915 1.549 -3.129 1.00 0.55 C ATOM 326 O ASN A 20 13.826 1.586 -3.953 1.00 0.65 O ATOM 327 CB ASN A 20 12.319 -0.167 -1.335 1.00 0.42 C ATOM 328 CG ASN A 20 13.769 -0.216 -0.881 1.00 0.66 C ATOM 329 OD1 ASN A 20 14.677 0.013 -1.676 1.00 1.06 O ATOM 330 ND2 ASN A 20 14.000 -0.467 0.402 1.00 0.73 N ATOM 0 H ASN A 20 13.446 -1.319 -3.349 1.00 0.40 H new ATOM 0 HA ASN A 20 11.127 0.446 -3.001 1.00 0.42 H new ATOM 0 HB2 ASN A 20 11.770 0.538 -0.712 1.00 0.42 H new ATOM 0 HB3 ASN A 20 11.862 -1.146 -1.188 1.00 0.42 H new ATOM 0 HD21 ASN A 20 14.957 -0.474 0.756 1.00 0.73 H new ATOM 0 HD22 ASN A 20 13.221 -0.653 1.034 1.00 0.73 H new ATOM 337 N GLN A 21 12.535 2.633 -2.444 1.00 0.64 N ATOM 338 CA GLN A 21 13.151 3.952 -2.596 1.00 0.87 C ATOM 339 C GLN A 21 14.629 4.012 -2.176 1.00 1.03 C ATOM 340 O GLN A 21 15.290 5.006 -2.464 1.00 1.26 O ATOM 341 CB GLN A 21 12.296 5.020 -1.893 1.00 1.00 C ATOM 342 CG GLN A 21 12.178 4.865 -0.368 1.00 1.15 C ATOM 343 CD GLN A 21 13.443 5.272 0.378 1.00 1.54 C ATOM 344 OE1 GLN A 21 13.804 6.447 0.393 1.00 2.33 O ATOM 345 NE2 GLN A 21 14.120 4.330 1.022 1.00 1.69 N ATOM 0 H GLN A 21 11.780 2.617 -1.759 1.00 0.64 H new ATOM 0 HA GLN A 21 13.171 4.167 -3.664 1.00 0.87 H new ATOM 0 HB2 GLN A 21 12.718 6.001 -2.111 1.00 1.00 H new ATOM 0 HB3 GLN A 21 11.294 5.001 -2.323 1.00 1.00 H new ATOM 0 HG2 GLN A 21 11.344 5.469 -0.012 1.00 1.15 H new ATOM 0 HG3 GLN A 21 11.943 3.827 -0.132 1.00 1.15 H new ATOM 0 HE21 GLN A 21 13.799 3.362 0.994 1.00 1.69 H new ATOM 0 HE22 GLN A 21 14.961 4.574 1.545 1.00 1.69 H new ATOM 354 N ASP A 22 15.152 2.964 -1.524 1.00 1.00 N ATOM 355 CA ASP A 22 16.579 2.801 -1.255 1.00 1.09 C ATOM 356 C ASP A 22 17.281 2.281 -2.526 1.00 0.81 C ATOM 357 O ASP A 22 18.480 2.024 -2.537 1.00 0.84 O ATOM 358 CB ASP A 22 16.719 1.875 -0.032 1.00 1.30 C ATOM 359 CG ASP A 22 18.141 1.580 0.412 1.00 2.54 C ATOM 360 OD1 ASP A 22 18.947 2.526 0.472 1.00 3.07 O ATOM 361 OD2 ASP A 22 18.376 0.397 0.779 1.00 3.80 O ATOM 0 H ASP A 22 14.583 2.197 -1.165 1.00 1.00 H new ATOM 0 HA ASP A 22 17.070 3.743 -1.011 1.00 1.09 H new ATOM 0 HB2 ASP A 22 16.183 2.324 0.804 1.00 1.30 H new ATOM 0 HB3 ASP A 22 16.225 0.930 -0.257 1.00 1.30 H new ATOM 366 N GLY A 23 16.531 2.122 -3.629 1.00 0.77 N ATOM 367 CA GLY A 23 17.017 1.577 -4.886 1.00 0.87 C ATOM 368 C GLY A 23 17.365 0.103 -4.715 1.00 0.87 C ATOM 369 O GLY A 23 18.243 -0.405 -5.408 1.00 1.23 O ATOM 0 H GLY A 23 15.544 2.379 -3.661 1.00 0.77 H new ATOM 0 HA2 GLY A 23 16.258 1.693 -5.660 1.00 0.87 H new ATOM 0 HA3 GLY A 23 17.896 2.131 -5.216 1.00 0.87 H new ATOM 373 N LYS A 24 16.705 -0.562 -3.762 1.00 0.70 N ATOM 374 CA LYS A 24 17.178 -1.793 -3.180 1.00 0.80 C ATOM 375 C LYS A 24 16.081 -2.844 -3.288 1.00 0.58 C ATOM 376 O LYS A 24 14.898 -2.541 -3.126 1.00 0.51 O ATOM 377 CB LYS A 24 17.563 -1.454 -1.739 1.00 1.03 C ATOM 378 CG LYS A 24 18.546 -2.426 -1.086 1.00 1.23 C ATOM 379 CD LYS A 24 17.893 -3.340 -0.034 1.00 1.52 C ATOM 380 CE LYS A 24 18.629 -3.232 1.310 1.00 1.88 C ATOM 381 NZ LYS A 24 18.427 -1.916 1.959 1.00 3.70 N ATOM 0 H LYS A 24 15.816 -0.244 -3.377 1.00 0.70 H new ATOM 0 HA LYS A 24 18.046 -2.213 -3.689 1.00 0.80 H new ATOM 0 HB2 LYS A 24 17.998 -0.455 -1.721 1.00 1.03 H new ATOM 0 HB3 LYS A 24 16.656 -1.418 -1.136 1.00 1.03 H new ATOM 0 HG2 LYS A 24 19.003 -3.043 -1.859 1.00 1.23 H new ATOM 0 HG3 LYS A 24 19.349 -1.858 -0.615 1.00 1.23 H new ATOM 0 HD2 LYS A 24 16.846 -3.064 0.095 1.00 1.52 H new ATOM 0 HD3 LYS A 24 17.910 -4.373 -0.382 1.00 1.52 H new ATOM 0 HE2 LYS A 24 18.280 -4.021 1.977 1.00 1.88 H new ATOM 0 HE3 LYS A 24 19.695 -3.397 1.152 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 19.106 -1.806 2.739 1.00 3.70 H new ATOM 0 HZ2 LYS A 24 18.574 -1.159 1.262 1.00 3.70 H new ATOM 0 HZ3 LYS A 24 17.458 -1.858 2.333 1.00 3.70 H new ATOM 395 N ASN A 25 16.476 -4.075 -3.614 1.00 0.56 N ATOM 396 CA ASN A 25 15.534 -5.130 -3.944 1.00 0.50 C ATOM 397 C ASN A 25 14.925 -5.667 -2.657 1.00 0.48 C ATOM 398 O ASN A 25 15.649 -5.932 -1.698 1.00 0.57 O ATOM 399 CB ASN A 25 16.216 -6.269 -4.716 1.00 0.57 C ATOM 400 CG ASN A 25 16.681 -5.864 -6.113 1.00 2.07 C ATOM 401 OD1 ASN A 25 16.743 -4.686 -6.451 1.00 2.97 O ATOM 402 ND2 ASN A 25 17.022 -6.839 -6.949 1.00 2.87 N ATOM 0 H ASN A 25 17.454 -4.362 -3.655 1.00 0.56 H new ATOM 0 HA ASN A 25 14.756 -4.716 -4.585 1.00 0.50 H new ATOM 0 HB2 ASN A 25 17.074 -6.622 -4.144 1.00 0.57 H new ATOM 0 HB3 ASN A 25 15.523 -7.106 -4.801 1.00 0.57 H new ATOM 0 HD21 ASN A 25 17.342 -6.614 -7.891 1.00 2.87 H new ATOM 0 HD22 ASN A 25 16.963 -7.812 -6.649 1.00 2.87 H new ATOM 409 N VAL A 26 13.603 -5.830 -2.644 1.00 0.43 N ATOM 410 CA VAL A 26 12.856 -6.423 -1.551 1.00 0.42 C ATOM 411 C VAL A 26 11.766 -7.282 -2.185 1.00 0.47 C ATOM 412 O VAL A 26 11.047 -6.811 -3.066 1.00 0.59 O ATOM 413 CB VAL A 26 12.284 -5.332 -0.625 1.00 0.48 C ATOM 414 CG1 VAL A 26 13.373 -4.718 0.263 1.00 1.06 C ATOM 415 CG2 VAL A 26 11.577 -4.192 -1.367 1.00 0.89 C ATOM 0 H VAL A 26 13.009 -5.542 -3.422 1.00 0.43 H new ATOM 0 HA VAL A 26 13.492 -7.041 -0.917 1.00 0.42 H new ATOM 0 HB VAL A 26 11.542 -5.854 -0.020 1.00 0.48 H new ATOM 0 HG11 VAL A 26 12.933 -3.953 0.902 1.00 1.06 H new ATOM 0 HG12 VAL A 26 13.819 -5.496 0.883 1.00 1.06 H new ATOM 0 HG13 VAL A 26 14.143 -4.268 -0.364 1.00 1.06 H new ATOM 0 HG21 VAL A 26 11.203 -3.465 -0.646 1.00 0.89 H new ATOM 0 HG22 VAL A 26 12.281 -3.705 -2.041 1.00 0.89 H new ATOM 0 HG23 VAL A 26 10.743 -4.594 -1.943 1.00 0.89 H new ATOM 425 N SER A 27 11.658 -8.546 -1.776 1.00 0.51 N ATOM 426 CA SER A 27 10.633 -9.443 -2.278 1.00 0.55 C ATOM 427 C SER A 27 9.515 -9.544 -1.254 1.00 0.56 C ATOM 428 O SER A 27 9.720 -9.243 -0.078 1.00 0.55 O ATOM 429 CB SER A 27 11.214 -10.841 -2.490 1.00 0.56 C ATOM 430 OG SER A 27 12.376 -10.874 -3.285 1.00 1.66 O ATOM 0 H SER A 27 12.280 -8.971 -1.088 1.00 0.51 H new ATOM 0 HA SER A 27 10.257 -9.053 -3.224 1.00 0.55 H new ATOM 0 HB2 SER A 27 11.441 -11.278 -1.518 1.00 0.56 H new ATOM 0 HB3 SER A 27 10.454 -11.471 -2.953 1.00 0.56 H new ATOM 0 HG SER A 27 12.598 -11.804 -3.501 1.00 1.66 H new ATOM 436 N LEU A 28 8.360 -10.083 -1.651 1.00 0.58 N ATOM 437 CA LEU A 28 7.390 -10.528 -0.661 1.00 0.53 C ATOM 438 C LEU A 28 8.031 -11.549 0.288 1.00 0.49 C ATOM 439 O LEU A 28 7.728 -11.568 1.476 1.00 0.49 O ATOM 440 CB LEU A 28 6.168 -11.116 -1.362 1.00 0.62 C ATOM 441 CG LEU A 28 4.870 -10.600 -0.734 1.00 0.77 C ATOM 442 CD1 LEU A 28 4.466 -9.265 -1.375 1.00 1.19 C ATOM 443 CD2 LEU A 28 3.782 -11.636 -0.980 1.00 1.10 C ATOM 0 H LEU A 28 8.083 -10.217 -2.623 1.00 0.58 H new ATOM 0 HA LEU A 28 7.065 -9.675 -0.065 1.00 0.53 H new ATOM 0 HB2 LEU A 28 6.192 -10.856 -2.420 1.00 0.62 H new ATOM 0 HB3 LEU A 28 6.198 -12.204 -1.300 1.00 0.62 H new ATOM 0 HG LEU A 28 5.011 -10.440 0.335 1.00 0.77 H new ATOM 0 HD11 LEU A 28 3.542 -8.908 -0.920 1.00 1.19 H new ATOM 0 HD12 LEU A 28 5.256 -8.531 -1.216 1.00 1.19 H new ATOM 0 HD13 LEU A 28 4.313 -9.407 -2.445 1.00 1.19 H new ATOM 0 HD21 LEU A 28 2.846 -11.291 -0.541 1.00 1.10 H new ATOM 0 HD22 LEU A 28 3.650 -11.777 -2.053 1.00 1.10 H new ATOM 0 HD23 LEU A 28 4.070 -12.582 -0.522 1.00 1.10 H new ATOM 455 N GLU A 29 8.956 -12.369 -0.225 1.00 0.58 N ATOM 456 CA GLU A 29 9.784 -13.282 0.550 1.00 0.68 C ATOM 457 C GLU A 29 10.412 -12.570 1.754 1.00 0.58 C ATOM 458 O GLU A 29 10.476 -13.123 2.847 1.00 0.62 O ATOM 459 CB GLU A 29 10.884 -13.873 -0.333 1.00 0.88 C ATOM 460 CG GLU A 29 10.467 -14.379 -1.725 1.00 1.49 C ATOM 461 CD GLU A 29 11.697 -14.543 -2.611 1.00 2.74 C ATOM 462 OE1 GLU A 29 12.249 -13.488 -2.998 1.00 3.90 O ATOM 463 OE2 GLU A 29 12.066 -15.709 -2.864 1.00 3.42 O ATOM 0 H GLU A 29 9.150 -12.412 -1.225 1.00 0.58 H new ATOM 0 HA GLU A 29 9.146 -14.085 0.919 1.00 0.68 H new ATOM 0 HB2 GLU A 29 11.656 -13.115 -0.466 1.00 0.88 H new ATOM 0 HB3 GLU A 29 11.342 -14.703 0.206 1.00 0.88 H new ATOM 0 HG2 GLU A 29 9.945 -15.332 -1.633 1.00 1.49 H new ATOM 0 HG3 GLU A 29 9.770 -13.677 -2.183 1.00 1.49 H new ATOM 470 N SER A 30 10.856 -11.325 1.550 1.00 0.53 N ATOM 471 CA SER A 30 11.469 -10.475 2.558 1.00 0.56 C ATOM 472 C SER A 30 10.498 -10.038 3.665 1.00 0.53 C ATOM 473 O SER A 30 10.905 -9.289 4.552 1.00 0.67 O ATOM 474 CB SER A 30 12.133 -9.283 1.881 1.00 0.64 C ATOM 475 OG SER A 30 12.704 -9.646 0.632 1.00 1.44 O ATOM 0 H SER A 30 10.792 -10.870 0.639 1.00 0.53 H new ATOM 0 HA SER A 30 12.227 -11.067 3.070 1.00 0.56 H new ATOM 0 HB2 SER A 30 11.398 -8.493 1.730 1.00 0.64 H new ATOM 0 HB3 SER A 30 12.907 -8.878 2.532 1.00 0.64 H new ATOM 0 HG SER A 30 13.481 -9.077 0.450 1.00 1.44 H new ATOM 481 N LEU A 31 9.209 -10.378 3.535 1.00 0.45 N ATOM 482 CA LEU A 31 8.119 -10.008 4.431 1.00 0.46 C ATOM 483 C LEU A 31 7.281 -11.223 4.875 1.00 0.50 C ATOM 484 O LEU A 31 6.648 -11.184 5.931 1.00 0.61 O ATOM 485 CB LEU A 31 7.233 -9.001 3.692 1.00 0.45 C ATOM 486 CG LEU A 31 7.996 -7.767 3.192 1.00 0.42 C ATOM 487 CD1 LEU A 31 7.160 -7.020 2.155 1.00 0.44 C ATOM 488 CD2 LEU A 31 8.333 -6.855 4.373 1.00 0.44 C ATOM 0 H LEU A 31 8.886 -10.951 2.755 1.00 0.45 H new ATOM 0 HA LEU A 31 8.540 -9.576 5.339 1.00 0.46 H new ATOM 0 HB2 LEU A 31 6.763 -9.497 2.843 1.00 0.45 H new ATOM 0 HB3 LEU A 31 6.431 -8.678 4.356 1.00 0.45 H new ATOM 0 HG LEU A 31 8.926 -8.084 2.720 1.00 0.42 H new ATOM 0 HD11 LEU A 31 7.710 -6.146 1.806 1.00 0.44 H new ATOM 0 HD12 LEU A 31 6.953 -7.679 1.312 1.00 0.44 H new ATOM 0 HD13 LEU A 31 6.220 -6.701 2.606 1.00 0.44 H new ATOM 0 HD21 LEU A 31 8.875 -5.980 4.014 1.00 0.44 H new ATOM 0 HD22 LEU A 31 7.412 -6.536 4.861 1.00 0.44 H new ATOM 0 HD23 LEU A 31 8.953 -7.398 5.087 1.00 0.44 H new ATOM 500 N LYS A 32 7.231 -12.293 4.071 1.00 0.53 N ATOM 501 CA LYS A 32 6.511 -13.514 4.402 1.00 0.56 C ATOM 502 C LYS A 32 6.917 -14.010 5.793 1.00 0.56 C ATOM 503 O LYS A 32 8.077 -13.885 6.178 1.00 0.89 O ATOM 504 CB LYS A 32 6.715 -14.567 3.323 1.00 0.71 C ATOM 505 CG LYS A 32 5.586 -15.604 3.436 1.00 0.90 C ATOM 506 CD LYS A 32 5.548 -16.386 2.132 1.00 1.60 C ATOM 507 CE LYS A 32 4.535 -17.550 2.158 1.00 1.68 C ATOM 508 NZ LYS A 32 3.360 -17.295 1.295 1.00 2.84 N ATOM 0 H LYS A 32 7.697 -12.328 3.164 1.00 0.53 H new ATOM 0 HA LYS A 32 5.442 -13.302 4.436 1.00 0.56 H new ATOM 0 HB2 LYS A 32 6.708 -14.105 2.336 1.00 0.71 H new ATOM 0 HB3 LYS A 32 7.685 -15.049 3.442 1.00 0.71 H new ATOM 0 HG2 LYS A 32 5.763 -16.273 4.278 1.00 0.90 H new ATOM 0 HG3 LYS A 32 4.630 -15.112 3.615 1.00 0.90 H new ATOM 0 HD2 LYS A 32 5.295 -15.709 1.316 1.00 1.60 H new ATOM 0 HD3 LYS A 32 6.542 -16.781 1.922 1.00 1.60 H new ATOM 0 HE2 LYS A 32 5.029 -18.465 1.833 1.00 1.68 H new ATOM 0 HE3 LYS A 32 4.201 -17.715 3.182 1.00 1.68 H new ATOM 0 HZ1 LYS A 32 2.497 -17.616 1.779 1.00 2.84 H new ATOM 0 HZ2 LYS A 32 3.288 -16.276 1.098 1.00 2.84 H new ATOM 0 HZ3 LYS A 32 3.468 -17.814 0.400 1.00 2.84 H new ATOM 522 N GLY A 33 5.962 -14.539 6.560 1.00 0.51 N ATOM 523 CA GLY A 33 6.174 -14.860 7.961 1.00 0.49 C ATOM 524 C GLY A 33 5.685 -13.743 8.885 1.00 0.44 C ATOM 525 O GLY A 33 5.258 -14.047 9.997 1.00 0.51 O ATOM 0 H GLY A 33 5.024 -14.754 6.223 1.00 0.51 H new ATOM 0 HA2 GLY A 33 5.652 -15.786 8.204 1.00 0.49 H new ATOM 0 HA3 GLY A 33 7.235 -15.037 8.136 1.00 0.49 H new ATOM 529 N GLU A 34 5.730 -12.475 8.446 1.00 0.41 N ATOM 530 CA GLU A 34 5.474 -11.321 9.307 1.00 0.39 C ATOM 531 C GLU A 34 4.160 -10.601 8.984 1.00 0.33 C ATOM 532 O GLU A 34 3.606 -10.748 7.898 1.00 0.39 O ATOM 533 CB GLU A 34 6.686 -10.376 9.227 1.00 0.49 C ATOM 534 CG GLU A 34 7.557 -10.532 10.477 1.00 0.86 C ATOM 535 CD GLU A 34 6.967 -9.766 11.652 1.00 2.39 C ATOM 536 OE1 GLU A 34 5.718 -9.778 11.776 1.00 3.48 O ATOM 537 OE2 GLU A 34 7.783 -9.154 12.376 1.00 3.30 O ATOM 0 H GLU A 34 5.946 -12.226 7.481 1.00 0.41 H new ATOM 0 HA GLU A 34 5.347 -11.675 10.330 1.00 0.39 H new ATOM 0 HB2 GLU A 34 7.272 -10.598 8.335 1.00 0.49 H new ATOM 0 HB3 GLU A 34 6.347 -9.344 9.137 1.00 0.49 H new ATOM 0 HG2 GLU A 34 7.645 -11.588 10.734 1.00 0.86 H new ATOM 0 HG3 GLU A 34 8.564 -10.169 10.271 1.00 0.86 H new ATOM 544 N VAL A 35 3.642 -9.814 9.934 1.00 0.30 N ATOM 545 CA VAL A 35 2.364 -9.105 9.786 1.00 0.30 C ATOM 546 C VAL A 35 2.588 -7.696 9.254 1.00 0.26 C ATOM 547 O VAL A 35 2.366 -6.689 9.923 1.00 0.35 O ATOM 548 CB VAL A 35 1.552 -9.173 11.090 1.00 0.40 C ATOM 549 CG1 VAL A 35 2.218 -8.539 12.322 1.00 0.44 C ATOM 550 CG2 VAL A 35 0.134 -8.619 10.899 1.00 0.44 C ATOM 0 H VAL A 35 4.099 -9.650 10.831 1.00 0.30 H new ATOM 0 HA VAL A 35 1.751 -9.604 9.035 1.00 0.30 H new ATOM 0 HB VAL A 35 1.504 -10.239 11.313 1.00 0.40 H new ATOM 0 HG11 VAL A 35 1.560 -8.643 13.185 1.00 0.44 H new ATOM 0 HG12 VAL A 35 3.164 -9.042 12.524 1.00 0.44 H new ATOM 0 HG13 VAL A 35 2.403 -7.482 12.132 1.00 0.44 H new ATOM 0 HG21 VAL A 35 -0.411 -8.683 11.841 1.00 0.44 H new ATOM 0 HG22 VAL A 35 0.190 -7.578 10.582 1.00 0.44 H new ATOM 0 HG23 VAL A 35 -0.385 -9.203 10.139 1.00 0.44 H new ATOM 560 N TRP A 36 3.049 -7.630 8.014 1.00 0.37 N ATOM 561 CA TRP A 36 3.449 -6.379 7.414 1.00 0.30 C ATOM 562 C TRP A 36 2.239 -5.649 6.836 1.00 0.30 C ATOM 563 O TRP A 36 1.269 -6.257 6.378 1.00 0.36 O ATOM 564 CB TRP A 36 4.549 -6.642 6.394 1.00 0.31 C ATOM 565 CG TRP A 36 4.146 -7.500 5.247 1.00 0.31 C ATOM 566 CD1 TRP A 36 4.056 -8.846 5.224 1.00 0.36 C ATOM 567 CD2 TRP A 36 3.805 -7.053 3.917 1.00 0.30 C ATOM 568 NE1 TRP A 36 3.668 -9.259 3.971 1.00 0.36 N ATOM 569 CE2 TRP A 36 3.562 -8.191 3.100 1.00 0.35 C ATOM 570 CE3 TRP A 36 3.708 -5.785 3.325 1.00 0.29 C ATOM 571 CZ2 TRP A 36 3.272 -8.068 1.734 1.00 0.40 C ATOM 572 CZ3 TRP A 36 3.370 -5.650 1.972 1.00 0.34 C ATOM 573 CH2 TRP A 36 3.204 -6.782 1.167 1.00 0.40 C ATOM 0 H TRP A 36 3.154 -8.440 7.404 1.00 0.37 H new ATOM 0 HA TRP A 36 3.863 -5.710 8.169 1.00 0.30 H new ATOM 0 HB2 TRP A 36 4.903 -5.686 6.008 1.00 0.31 H new ATOM 0 HB3 TRP A 36 5.391 -7.112 6.902 1.00 0.31 H new ATOM 0 HD1 TRP A 36 4.258 -9.499 6.061 1.00 0.36 H new ATOM 0 HE1 TRP A 36 3.482 -10.229 3.717 1.00 0.36 H new ATOM 0 HE3 TRP A 36 3.896 -4.903 3.919 1.00 0.29 H new ATOM 0 HZ2 TRP A 36 3.104 -8.945 1.127 1.00 0.40 H new ATOM 0 HZ3 TRP A 36 3.237 -4.666 1.548 1.00 0.34 H new ATOM 0 HH2 TRP A 36 3.023 -6.669 0.108 1.00 0.40 H new ATOM 584 N LEU A 37 2.295 -4.320 6.895 1.00 0.33 N ATOM 585 CA LEU A 37 1.251 -3.452 6.397 1.00 0.35 C ATOM 586 C LEU A 37 1.620 -3.026 4.975 1.00 0.35 C ATOM 587 O LEU A 37 2.793 -2.789 4.691 1.00 0.36 O ATOM 588 CB LEU A 37 1.106 -2.248 7.336 1.00 0.38 C ATOM 589 CG LEU A 37 0.926 -2.576 8.832 1.00 0.50 C ATOM 590 CD1 LEU A 37 0.498 -1.292 9.551 1.00 0.66 C ATOM 591 CD2 LEU A 37 -0.145 -3.647 9.070 1.00 0.73 C ATOM 0 H LEU A 37 3.084 -3.816 7.299 1.00 0.33 H new ATOM 0 HA LEU A 37 0.290 -3.965 6.367 1.00 0.35 H new ATOM 0 HB2 LEU A 37 1.989 -1.618 7.226 1.00 0.38 H new ATOM 0 HB3 LEU A 37 0.250 -1.658 7.008 1.00 0.38 H new ATOM 0 HG LEU A 37 1.872 -2.963 9.212 1.00 0.50 H new ATOM 0 HD11 LEU A 37 0.364 -1.497 10.613 1.00 0.66 H new ATOM 0 HD12 LEU A 37 1.267 -0.530 9.423 1.00 0.66 H new ATOM 0 HD13 LEU A 37 -0.441 -0.934 9.129 1.00 0.66 H new ATOM 0 HD21 LEU A 37 -0.233 -3.842 10.139 1.00 0.73 H new ATOM 0 HD22 LEU A 37 -1.102 -3.296 8.685 1.00 0.73 H new ATOM 0 HD23 LEU A 37 0.138 -4.565 8.556 1.00 0.73 H new ATOM 603 N ALA A 38 0.633 -2.959 4.086 1.00 0.51 N ATOM 604 CA ALA A 38 0.760 -2.519 2.711 1.00 0.52 C ATOM 605 C ALA A 38 -0.130 -1.300 2.514 1.00 0.59 C ATOM 606 O ALA A 38 -1.261 -1.257 3.004 1.00 0.90 O ATOM 607 CB ALA A 38 0.323 -3.641 1.766 1.00 0.55 C ATOM 0 H ALA A 38 -0.323 -3.225 4.323 1.00 0.51 H new ATOM 0 HA ALA A 38 1.797 -2.264 2.492 1.00 0.52 H new ATOM 0 HB1 ALA A 38 0.420 -3.306 0.733 1.00 0.55 H new ATOM 0 HB2 ALA A 38 0.953 -4.516 1.924 1.00 0.55 H new ATOM 0 HB3 ALA A 38 -0.716 -3.901 1.967 1.00 0.55 H new ATOM 613 N ASP A 39 0.406 -0.339 1.767 1.00 0.61 N ATOM 614 CA ASP A 39 -0.227 0.900 1.370 1.00 0.73 C ATOM 615 C ASP A 39 0.114 1.136 -0.102 1.00 0.85 C ATOM 616 O ASP A 39 0.886 0.384 -0.708 1.00 1.71 O ATOM 617 CB ASP A 39 0.321 2.030 2.254 1.00 1.16 C ATOM 618 CG ASP A 39 -0.126 1.886 3.701 1.00 1.59 C ATOM 619 OD1 ASP A 39 -1.244 2.358 3.989 1.00 2.63 O ATOM 620 OD2 ASP A 39 0.669 1.338 4.493 1.00 2.79 O ATOM 0 H ASP A 39 1.356 -0.417 1.403 1.00 0.61 H new ATOM 0 HA ASP A 39 -1.310 0.864 1.490 1.00 0.73 H new ATOM 0 HB2 ASP A 39 1.410 2.031 2.209 1.00 1.16 H new ATOM 0 HB3 ASP A 39 -0.015 2.991 1.864 1.00 1.16 H new ATOM 625 N PHE A 40 -0.423 2.203 -0.686 1.00 0.80 N ATOM 626 CA PHE A 40 0.043 2.702 -1.967 1.00 0.94 C ATOM 627 C PHE A 40 -0.300 4.181 -2.074 1.00 1.13 C ATOM 628 O PHE A 40 -1.240 4.633 -1.421 1.00 1.54 O ATOM 629 CB PHE A 40 -0.542 1.882 -3.125 1.00 1.15 C ATOM 630 CG PHE A 40 -2.044 1.679 -3.066 1.00 1.24 C ATOM 631 CD1 PHE A 40 -2.924 2.761 -3.259 1.00 2.67 C ATOM 632 CD2 PHE A 40 -2.550 0.446 -2.620 1.00 1.54 C ATOM 633 CE1 PHE A 40 -4.274 2.644 -2.884 1.00 2.93 C ATOM 634 CE2 PHE A 40 -3.913 0.308 -2.319 1.00 1.76 C ATOM 635 CZ PHE A 40 -4.770 1.418 -2.414 1.00 1.94 C ATOM 0 H PHE A 40 -1.190 2.741 -0.283 1.00 0.80 H new ATOM 0 HA PHE A 40 1.125 2.593 -2.034 1.00 0.94 H new ATOM 0 HB2 PHE A 40 -0.293 2.377 -4.064 1.00 1.15 H new ATOM 0 HB3 PHE A 40 -0.058 0.906 -3.141 1.00 1.15 H new ATOM 0 HD1 PHE A 40 -2.562 3.680 -3.695 1.00 2.67 H new ATOM 0 HD2 PHE A 40 -1.887 -0.399 -2.509 1.00 1.54 H new ATOM 0 HE1 PHE A 40 -4.930 3.499 -2.958 1.00 2.93 H new ATOM 0 HE2 PHE A 40 -4.304 -0.651 -2.014 1.00 1.76 H new ATOM 0 HZ PHE A 40 -5.807 1.328 -2.126 1.00 1.94 H new ATOM 645 N ILE A 41 0.457 4.924 -2.884 1.00 0.99 N ATOM 646 CA ILE A 41 0.228 6.344 -3.125 1.00 1.15 C ATOM 647 C ILE A 41 0.729 6.729 -4.516 1.00 0.96 C ATOM 648 O ILE A 41 1.624 6.088 -5.064 1.00 0.89 O ATOM 649 CB ILE A 41 0.882 7.249 -2.054 1.00 1.56 C ATOM 650 CG1 ILE A 41 2.422 7.269 -2.063 1.00 1.90 C ATOM 651 CG2 ILE A 41 0.343 7.009 -0.636 1.00 1.99 C ATOM 652 CD1 ILE A 41 3.083 5.902 -1.887 1.00 2.06 C ATOM 0 H ILE A 41 1.255 4.549 -3.396 1.00 0.99 H new ATOM 0 HA ILE A 41 -0.848 6.506 -3.062 1.00 1.15 H new ATOM 0 HB ILE A 41 0.572 8.247 -2.363 1.00 1.56 H new ATOM 0 HG12 ILE A 41 2.760 7.702 -3.005 1.00 1.90 H new ATOM 0 HG13 ILE A 41 2.767 7.929 -1.267 1.00 1.90 H new ATOM 0 HG21 ILE A 41 0.846 7.678 0.062 1.00 1.99 H new ATOM 0 HG22 ILE A 41 -0.729 7.204 -0.617 1.00 1.99 H new ATOM 0 HG23 ILE A 41 0.529 5.975 -0.346 1.00 1.99 H new ATOM 0 HD11 ILE A 41 4.167 6.017 -1.907 1.00 2.06 H new ATOM 0 HD12 ILE A 41 2.781 5.472 -0.932 1.00 2.06 H new ATOM 0 HD13 ILE A 41 2.773 5.241 -2.697 1.00 2.06 H new ATOM 664 N PHE A 42 0.160 7.807 -5.055 1.00 0.99 N ATOM 665 CA PHE A 42 0.732 8.619 -6.114 1.00 1.03 C ATOM 666 C PHE A 42 1.206 9.920 -5.466 1.00 1.18 C ATOM 667 O PHE A 42 0.786 10.263 -4.361 1.00 1.58 O ATOM 668 CB PHE A 42 -0.314 8.896 -7.207 1.00 1.10 C ATOM 669 CG PHE A 42 -1.725 9.139 -6.694 1.00 1.22 C ATOM 670 CD1 PHE A 42 -2.579 8.045 -6.464 1.00 1.55 C ATOM 671 CD2 PHE A 42 -2.182 10.445 -6.435 1.00 2.47 C ATOM 672 CE1 PHE A 42 -3.898 8.252 -6.031 1.00 1.55 C ATOM 673 CE2 PHE A 42 -3.507 10.653 -6.008 1.00 2.64 C ATOM 674 CZ PHE A 42 -4.368 9.558 -5.822 1.00 1.53 C ATOM 0 H PHE A 42 -0.751 8.148 -4.748 1.00 0.99 H new ATOM 0 HA PHE A 42 1.564 8.105 -6.596 1.00 1.03 H new ATOM 0 HB2 PHE A 42 0.003 9.766 -7.781 1.00 1.10 H new ATOM 0 HB3 PHE A 42 -0.333 8.050 -7.894 1.00 1.10 H new ATOM 0 HD1 PHE A 42 -2.217 7.040 -6.622 1.00 1.55 H new ATOM 0 HD2 PHE A 42 -1.517 11.286 -6.564 1.00 2.47 H new ATOM 0 HE1 PHE A 42 -4.550 7.408 -5.859 1.00 1.55 H new ATOM 0 HE2 PHE A 42 -3.863 11.656 -5.823 1.00 2.64 H new ATOM 0 HZ PHE A 42 -5.391 9.721 -5.518 1.00 1.53 H new ATOM 684 N THR A 43 2.085 10.627 -6.165 1.00 1.23 N ATOM 685 CA THR A 43 2.537 11.979 -5.886 1.00 1.41 C ATOM 686 C THR A 43 1.879 12.860 -6.954 1.00 1.16 C ATOM 687 O THR A 43 0.747 12.582 -7.355 1.00 2.02 O ATOM 688 CB THR A 43 4.081 11.989 -5.839 1.00 1.90 C ATOM 689 OG1 THR A 43 4.662 13.279 -5.806 1.00 2.53 O ATOM 690 CG2 THR A 43 4.687 11.243 -7.017 1.00 3.37 C ATOM 0 H THR A 43 2.530 10.242 -6.998 1.00 1.23 H new ATOM 0 HA THR A 43 2.244 12.375 -4.914 1.00 1.41 H new ATOM 0 HB THR A 43 4.310 11.490 -4.897 1.00 1.90 H new ATOM 0 HG1 THR A 43 5.578 13.217 -5.463 1.00 2.53 H new ATOM 0 HG21 THR A 43 5.774 11.273 -6.947 1.00 3.37 H new ATOM 0 HG22 THR A 43 4.351 10.206 -7.003 1.00 3.37 H new ATOM 0 HG23 THR A 43 4.370 11.714 -7.948 1.00 3.37 H new ATOM 771 N CYS A 49 -4.904 17.849 0.646 1.00 1.42 N ATOM 772 CA CYS A 49 -5.600 18.385 1.808 1.00 1.43 C ATOM 773 C CYS A 49 -6.007 17.286 2.799 1.00 1.36 C ATOM 774 O CYS A 49 -5.593 17.351 3.955 1.00 1.33 O ATOM 775 CB CYS A 49 -6.781 19.270 1.380 1.00 1.73 C ATOM 776 SG CYS A 49 -6.177 20.902 0.892 1.00 2.25 S ATOM 0 HA CYS A 49 -4.901 19.023 2.349 1.00 1.43 H new ATOM 0 HB2 CYS A 49 -7.313 18.806 0.550 1.00 1.73 H new ATOM 0 HB3 CYS A 49 -7.492 19.366 2.201 1.00 1.73 H new ATOM 0 HG CYS A 49 -7.180 21.645 0.529 1.00 2.25 H new ATOM 782 N PRO A 50 -6.817 16.281 2.414 1.00 1.48 N ATOM 783 CA PRO A 50 -7.185 15.223 3.342 1.00 1.47 C ATOM 784 C PRO A 50 -5.993 14.274 3.545 1.00 1.09 C ATOM 785 O PRO A 50 -5.188 14.108 2.628 1.00 1.20 O ATOM 786 CB PRO A 50 -8.403 14.537 2.719 1.00 1.95 C ATOM 787 CG PRO A 50 -8.223 14.763 1.220 1.00 2.13 C ATOM 788 CD PRO A 50 -7.429 16.067 1.111 1.00 1.73 C ATOM 0 HA PRO A 50 -7.438 15.591 4.336 1.00 1.47 H new ATOM 0 HB2 PRO A 50 -8.432 13.475 2.963 1.00 1.95 H new ATOM 0 HB3 PRO A 50 -9.335 14.972 3.080 1.00 1.95 H new ATOM 0 HG2 PRO A 50 -7.687 13.934 0.757 1.00 2.13 H new ATOM 0 HG3 PRO A 50 -9.185 14.843 0.714 1.00 2.13 H new ATOM 0 HD2 PRO A 50 -6.670 15.997 0.332 1.00 1.73 H new ATOM 0 HD3 PRO A 50 -8.082 16.899 0.846 1.00 1.73 H new ATOM 796 N PRO A 51 -5.870 13.651 4.730 1.00 1.01 N ATOM 797 CA PRO A 51 -4.693 12.903 5.167 1.00 0.88 C ATOM 798 C PRO A 51 -4.296 11.773 4.207 1.00 0.79 C ATOM 799 O PRO A 51 -4.816 10.663 4.283 1.00 1.15 O ATOM 800 CB PRO A 51 -5.022 12.403 6.581 1.00 1.23 C ATOM 801 CG PRO A 51 -6.543 12.497 6.679 1.00 1.30 C ATOM 802 CD PRO A 51 -6.863 13.692 5.791 1.00 1.33 C ATOM 0 HA PRO A 51 -3.810 13.541 5.171 1.00 0.88 H new ATOM 0 HB2 PRO A 51 -4.678 11.380 6.730 1.00 1.23 H new ATOM 0 HB3 PRO A 51 -4.537 13.016 7.341 1.00 1.23 H new ATOM 0 HG2 PRO A 51 -7.028 11.588 6.325 1.00 1.30 H new ATOM 0 HG3 PRO A 51 -6.874 12.655 7.706 1.00 1.30 H new ATOM 0 HD2 PRO A 51 -7.874 13.625 5.388 1.00 1.33 H new ATOM 0 HD3 PRO A 51 -6.804 14.626 6.350 1.00 1.33 H new ATOM 810 N MET A 52 -3.354 12.059 3.303 1.00 0.66 N ATOM 811 CA MET A 52 -2.953 11.170 2.221 1.00 0.79 C ATOM 812 C MET A 52 -1.788 10.268 2.615 1.00 1.10 C ATOM 813 O MET A 52 -1.739 9.109 2.199 1.00 2.11 O ATOM 814 CB MET A 52 -2.635 12.024 0.979 1.00 1.01 C ATOM 815 CG MET A 52 -2.842 11.304 -0.359 1.00 1.24 C ATOM 816 SD MET A 52 -1.506 10.232 -0.926 1.00 2.21 S ATOM 817 CE MET A 52 -2.224 9.719 -2.502 1.00 2.53 C ATOM 0 H MET A 52 -2.839 12.939 3.308 1.00 0.66 H new ATOM 0 HA MET A 52 -3.775 10.492 1.991 1.00 0.79 H new ATOM 0 HB2 MET A 52 -3.261 12.916 0.997 1.00 1.01 H new ATOM 0 HB3 MET A 52 -1.600 12.360 1.040 1.00 1.01 H new ATOM 0 HG2 MET A 52 -3.749 10.704 -0.285 1.00 1.24 H new ATOM 0 HG3 MET A 52 -3.020 12.058 -1.126 1.00 1.24 H new ATOM 0 HE1 MET A 52 -1.638 8.900 -2.919 1.00 2.53 H new ATOM 0 HE2 MET A 52 -3.250 9.387 -2.344 1.00 2.53 H new ATOM 0 HE3 MET A 52 -2.217 10.560 -3.196 1.00 2.53 H new ATOM 827 N THR A 53 -0.840 10.781 3.405 1.00 0.62 N ATOM 828 CA THR A 53 0.251 9.986 3.957 1.00 0.67 C ATOM 829 C THR A 53 0.523 10.442 5.391 1.00 0.82 C ATOM 830 O THR A 53 1.663 10.555 5.823 1.00 1.38 O ATOM 831 CB THR A 53 1.450 10.019 2.995 1.00 0.88 C ATOM 832 OG1 THR A 53 0.973 9.786 1.685 1.00 1.19 O ATOM 833 CG2 THR A 53 2.474 8.921 3.283 1.00 1.11 C ATOM 0 H THR A 53 -0.811 11.763 3.678 1.00 0.62 H new ATOM 0 HA THR A 53 -0.005 8.930 4.038 1.00 0.67 H new ATOM 0 HB THR A 53 1.930 10.990 3.116 1.00 0.88 H new ATOM 0 HG1 THR A 53 1.428 10.388 1.059 1.00 1.19 H new ATOM 0 HG21 THR A 53 3.297 8.995 2.572 1.00 1.11 H new ATOM 0 HG22 THR A 53 2.858 9.039 4.296 1.00 1.11 H new ATOM 0 HG23 THR A 53 1.998 7.945 3.186 1.00 1.11 H new ATOM 841 N ALA A 54 -0.569 10.682 6.128 1.00 0.65 N ATOM 842 CA ALA A 54 -0.553 10.873 7.571 1.00 0.78 C ATOM 843 C ALA A 54 -0.812 9.536 8.259 1.00 0.85 C ATOM 844 O ALA A 54 -0.055 9.149 9.144 1.00 0.97 O ATOM 845 CB ALA A 54 -1.611 11.898 7.987 1.00 0.91 C ATOM 0 H ALA A 54 -1.503 10.749 5.723 1.00 0.65 H new ATOM 0 HA ALA A 54 0.424 11.252 7.872 1.00 0.78 H new ATOM 0 HB1 ALA A 54 -1.585 12.029 9.069 1.00 0.91 H new ATOM 0 HB2 ALA A 54 -1.404 12.852 7.501 1.00 0.91 H new ATOM 0 HB3 ALA A 54 -2.598 11.544 7.688 1.00 0.91 H new ATOM 851 N HIS A 55 -1.854 8.811 7.823 1.00 0.85 N ATOM 852 CA HIS A 55 -2.313 7.601 8.505 1.00 0.85 C ATOM 853 C HIS A 55 -1.159 6.622 8.680 1.00 0.74 C ATOM 854 O HIS A 55 -0.940 6.061 9.751 1.00 0.72 O ATOM 855 CB HIS A 55 -3.439 6.945 7.700 1.00 1.06 C ATOM 856 CG HIS A 55 -4.582 7.872 7.393 1.00 1.25 C ATOM 857 ND1 HIS A 55 -5.142 8.076 6.153 1.00 1.49 N ATOM 858 CD2 HIS A 55 -5.281 8.620 8.302 1.00 1.30 C ATOM 859 CE1 HIS A 55 -6.164 8.932 6.319 1.00 1.65 C ATOM 860 NE2 HIS A 55 -6.292 9.287 7.607 1.00 1.54 N ATOM 0 H HIS A 55 -2.396 9.049 6.992 1.00 0.85 H new ATOM 0 HA HIS A 55 -2.691 7.875 9.490 1.00 0.85 H new ATOM 0 HB2 HIS A 55 -3.030 6.564 6.764 1.00 1.06 H new ATOM 0 HB3 HIS A 55 -3.818 6.087 8.255 1.00 1.06 H new ATOM 0 HD2 HIS A 55 -5.086 8.683 9.362 1.00 1.30 H new ATOM 0 HE1 HIS A 55 -6.799 9.288 5.521 1.00 1.65 H new ATOM 0 HE2 HIS A 55 -6.990 9.919 8.000 1.00 1.54 H new ATOM 868 N MET A 56 -0.414 6.434 7.594 1.00 0.76 N ATOM 869 CA MET A 56 0.801 5.655 7.574 1.00 0.73 C ATOM 870 C MET A 56 1.774 6.072 8.681 1.00 0.69 C ATOM 871 O MET A 56 2.300 5.198 9.359 1.00 0.70 O ATOM 872 CB MET A 56 1.412 5.629 6.173 1.00 0.86 C ATOM 873 CG MET A 56 0.458 5.031 5.129 1.00 0.89 C ATOM 874 SD MET A 56 -0.577 6.273 4.320 1.00 1.54 S ATOM 875 CE MET A 56 -1.931 5.264 3.720 1.00 2.01 C ATOM 0 H MET A 56 -0.652 6.833 6.686 1.00 0.76 H new ATOM 0 HA MET A 56 0.550 4.621 7.808 1.00 0.73 H new ATOM 0 HB2 MET A 56 1.680 6.643 5.878 1.00 0.86 H new ATOM 0 HB3 MET A 56 2.335 5.049 6.193 1.00 0.86 H new ATOM 0 HG2 MET A 56 1.040 4.504 4.373 1.00 0.89 H new ATOM 0 HG3 MET A 56 -0.182 4.292 5.611 1.00 0.89 H new ATOM 0 HE1 MET A 56 -2.739 5.908 3.374 1.00 2.01 H new ATOM 0 HE2 MET A 56 -1.584 4.642 2.895 1.00 2.01 H new ATOM 0 HE3 MET A 56 -2.295 4.627 4.526 1.00 2.01 H new ATOM 885 N THR A 57 1.978 7.368 8.929 1.00 0.72 N ATOM 886 CA THR A 57 2.815 7.838 10.028 1.00 0.78 C ATOM 887 C THR A 57 2.172 7.515 11.373 1.00 0.77 C ATOM 888 O THR A 57 2.834 7.010 12.282 1.00 0.92 O ATOM 889 CB THR A 57 3.053 9.349 9.927 1.00 0.87 C ATOM 890 OG1 THR A 57 3.446 9.661 8.610 1.00 1.82 O ATOM 891 CG2 THR A 57 4.145 9.776 10.917 1.00 2.37 C ATOM 0 H THR A 57 1.567 8.118 8.373 1.00 0.72 H new ATOM 0 HA THR A 57 3.773 7.323 9.956 1.00 0.78 H new ATOM 0 HB THR A 57 2.135 9.883 10.173 1.00 0.87 H new ATOM 0 HG1 THR A 57 3.832 10.562 8.588 1.00 1.82 H new ATOM 0 HG21 THR A 57 4.307 10.851 10.838 1.00 2.37 H new ATOM 0 HG22 THR A 57 3.833 9.530 11.932 1.00 2.37 H new ATOM 0 HG23 THR A 57 5.072 9.251 10.685 1.00 2.37 H new ATOM 899 N ASP A 58 0.884 7.844 11.507 1.00 0.67 N ATOM 900 CA ASP A 58 0.152 7.653 12.749 1.00 0.76 C ATOM 901 C ASP A 58 0.295 6.202 13.197 1.00 0.82 C ATOM 902 O ASP A 58 0.643 5.926 14.345 1.00 0.96 O ATOM 903 CB ASP A 58 -1.317 8.056 12.587 1.00 0.93 C ATOM 904 CG ASP A 58 -1.486 9.548 12.332 1.00 2.34 C ATOM 905 OD1 ASP A 58 -0.986 10.324 13.175 1.00 2.78 O ATOM 906 OD2 ASP A 58 -2.110 9.882 11.301 1.00 3.89 O ATOM 0 H ASP A 58 0.326 8.249 10.755 1.00 0.67 H new ATOM 0 HA ASP A 58 0.571 8.298 13.521 1.00 0.76 H new ATOM 0 HB2 ASP A 58 -1.755 7.497 11.760 1.00 0.93 H new ATOM 0 HB3 ASP A 58 -1.868 7.779 13.486 1.00 0.93 H new ATOM 911 N LEU A 59 0.088 5.270 12.266 1.00 0.76 N ATOM 912 CA LEU A 59 0.357 3.869 12.519 1.00 0.78 C ATOM 913 C LEU A 59 1.856 3.611 12.678 1.00 0.83 C ATOM 914 O LEU A 59 2.199 2.881 13.598 1.00 0.98 O ATOM 915 CB LEU A 59 -0.287 2.951 11.473 1.00 0.72 C ATOM 916 CG LEU A 59 -1.704 2.512 11.877 1.00 0.84 C ATOM 917 CD1 LEU A 59 -2.677 3.646 11.590 1.00 1.13 C ATOM 918 CD2 LEU A 59 -2.134 1.247 11.125 1.00 1.00 C ATOM 0 H LEU A 59 -0.266 5.469 11.330 1.00 0.76 H new ATOM 0 HA LEU A 59 -0.115 3.617 13.468 1.00 0.78 H new ATOM 0 HB2 LEU A 59 -0.329 3.469 10.515 1.00 0.72 H new ATOM 0 HB3 LEU A 59 0.338 2.069 11.332 1.00 0.72 H new ATOM 0 HG LEU A 59 -1.706 2.279 12.942 1.00 0.84 H new ATOM 0 HD11 LEU A 59 -3.684 3.342 11.874 1.00 1.13 H new ATOM 0 HD12 LEU A 59 -2.389 4.527 12.164 1.00 1.13 H new ATOM 0 HD13 LEU A 59 -2.656 3.883 10.526 1.00 1.13 H new ATOM 0 HD21 LEU A 59 -3.140 0.964 11.434 1.00 1.00 H new ATOM 0 HD22 LEU A 59 -2.125 1.441 10.052 1.00 1.00 H new ATOM 0 HD23 LEU A 59 -1.443 0.436 11.353 1.00 1.00 H new ATOM 930 N GLN A 60 2.747 4.179 11.850 1.00 0.83 N ATOM 931 CA GLN A 60 4.197 3.954 11.909 1.00 0.87 C ATOM 932 C GLN A 60 4.701 4.080 13.345 1.00 0.85 C ATOM 933 O GLN A 60 5.500 3.269 13.813 1.00 0.96 O ATOM 934 CB GLN A 60 4.976 4.891 10.971 1.00 0.92 C ATOM 935 CG GLN A 60 6.459 4.507 10.826 1.00 1.12 C ATOM 936 CD GLN A 60 7.388 5.062 11.908 1.00 1.84 C ATOM 937 OE1 GLN A 60 7.019 5.925 12.699 1.00 3.10 O ATOM 938 NE2 GLN A 60 8.624 4.574 11.914 1.00 2.28 N ATOM 0 H GLN A 60 2.472 4.820 11.106 1.00 0.83 H new ATOM 0 HA GLN A 60 4.378 2.937 11.560 1.00 0.87 H new ATOM 0 HB2 GLN A 60 4.507 4.882 9.987 1.00 0.92 H new ATOM 0 HB3 GLN A 60 4.907 5.912 11.348 1.00 0.92 H new ATOM 0 HG2 GLN A 60 6.537 3.420 10.826 1.00 1.12 H new ATOM 0 HG3 GLN A 60 6.813 4.852 9.855 1.00 1.12 H new ATOM 0 HE21 GLN A 60 8.892 3.857 11.240 1.00 2.28 H new ATOM 0 HE22 GLN A 60 9.304 4.916 12.593 1.00 2.28 H new ATOM 947 N LYS A 61 4.198 5.084 14.060 1.00 0.76 N ATOM 948 CA LYS A 61 4.524 5.273 15.461 1.00 0.76 C ATOM 949 C LYS A 61 4.329 3.983 16.266 1.00 0.73 C ATOM 950 O LYS A 61 5.229 3.543 16.977 1.00 0.80 O ATOM 951 CB LYS A 61 3.690 6.426 16.007 1.00 0.83 C ATOM 952 CG LYS A 61 4.039 6.727 17.470 1.00 0.81 C ATOM 953 CD LYS A 61 3.312 7.990 17.959 1.00 0.91 C ATOM 954 CE LYS A 61 3.837 9.288 17.320 1.00 1.98 C ATOM 955 NZ LYS A 61 3.024 10.461 17.702 1.00 2.42 N ATOM 0 H LYS A 61 3.558 5.782 13.682 1.00 0.76 H new ATOM 0 HA LYS A 61 5.580 5.526 15.558 1.00 0.76 H new ATOM 0 HB2 LYS A 61 3.857 7.317 15.401 1.00 0.83 H new ATOM 0 HB3 LYS A 61 2.631 6.180 15.927 1.00 0.83 H new ATOM 0 HG2 LYS A 61 3.763 5.878 18.096 1.00 0.81 H new ATOM 0 HG3 LYS A 61 5.116 6.860 17.571 1.00 0.81 H new ATOM 0 HD2 LYS A 61 2.248 7.893 17.744 1.00 0.91 H new ATOM 0 HD3 LYS A 61 3.413 8.061 19.042 1.00 0.91 H new ATOM 0 HE2 LYS A 61 4.871 9.449 17.624 1.00 1.98 H new ATOM 0 HE3 LYS A 61 3.836 9.184 16.235 1.00 1.98 H new ATOM 0 HZ1 LYS A 61 3.412 11.314 17.250 1.00 2.42 H new ATOM 0 HZ2 LYS A 61 2.042 10.320 17.390 1.00 2.42 H new ATOM 0 HZ3 LYS A 61 3.045 10.576 18.735 1.00 2.42 H new ATOM 969 N LYS A 62 3.145 3.380 16.152 1.00 0.74 N ATOM 970 CA LYS A 62 2.806 2.121 16.801 1.00 0.77 C ATOM 971 C LYS A 62 3.562 0.964 16.137 1.00 0.69 C ATOM 972 O LYS A 62 3.981 0.030 16.809 1.00 0.72 O ATOM 973 CB LYS A 62 1.277 1.962 16.762 1.00 0.95 C ATOM 974 CG LYS A 62 0.761 0.664 17.399 1.00 1.75 C ATOM 975 CD LYS A 62 0.406 -0.370 16.321 1.00 3.06 C ATOM 976 CE LYS A 62 -0.051 -1.681 16.973 1.00 3.91 C ATOM 977 NZ LYS A 62 -0.398 -2.702 15.964 1.00 5.34 N ATOM 0 H LYS A 62 2.382 3.764 15.594 1.00 0.74 H new ATOM 0 HA LYS A 62 3.116 2.114 17.846 1.00 0.77 H new ATOM 0 HB2 LYS A 62 0.822 2.810 17.274 1.00 0.95 H new ATOM 0 HB3 LYS A 62 0.946 2.001 15.724 1.00 0.95 H new ATOM 0 HG2 LYS A 62 1.520 0.255 18.066 1.00 1.75 H new ATOM 0 HG3 LYS A 62 -0.117 0.877 18.008 1.00 1.75 H new ATOM 0 HD2 LYS A 62 -0.384 0.020 15.679 1.00 3.06 H new ATOM 0 HD3 LYS A 62 1.272 -0.554 15.685 1.00 3.06 H new ATOM 0 HE2 LYS A 62 0.741 -2.062 17.618 1.00 3.91 H new ATOM 0 HE3 LYS A 62 -0.916 -1.489 17.609 1.00 3.91 H new ATOM 0 HZ1 LYS A 62 -0.055 -3.632 16.279 1.00 5.34 H new ATOM 0 HZ2 LYS A 62 -1.431 -2.736 15.846 1.00 5.34 H new ATOM 0 HZ3 LYS A 62 0.047 -2.458 15.056 1.00 5.34 H new ATOM 991 N LEU A 63 3.768 1.040 14.824 1.00 0.67 N ATOM 992 CA LEU A 63 4.529 0.104 14.008 1.00 0.63 C ATOM 993 C LEU A 63 5.903 -0.141 14.622 1.00 0.57 C ATOM 994 O LEU A 63 6.376 -1.269 14.625 1.00 0.56 O ATOM 995 CB LEU A 63 4.621 0.648 12.589 1.00 0.83 C ATOM 996 CG LEU A 63 4.721 -0.380 11.470 1.00 0.83 C ATOM 997 CD1 LEU A 63 5.982 -1.229 11.545 1.00 0.93 C ATOM 998 CD2 LEU A 63 3.458 -1.226 11.326 1.00 1.30 C ATOM 0 H LEU A 63 3.383 1.805 14.270 1.00 0.67 H new ATOM 0 HA LEU A 63 4.024 -0.861 13.972 1.00 0.63 H new ATOM 0 HB2 LEU A 63 3.744 1.268 12.404 1.00 0.83 H new ATOM 0 HB3 LEU A 63 5.492 1.301 12.530 1.00 0.83 H new ATOM 0 HG LEU A 63 4.807 0.201 10.552 1.00 0.83 H new ATOM 0 HD11 LEU A 63 5.991 -1.941 10.719 1.00 0.93 H new ATOM 0 HD12 LEU A 63 6.859 -0.585 11.479 1.00 0.93 H new ATOM 0 HD13 LEU A 63 6.000 -1.770 12.491 1.00 0.93 H new ATOM 0 HD21 LEU A 63 3.589 -1.940 10.513 1.00 1.30 H new ATOM 0 HD22 LEU A 63 3.273 -1.764 12.256 1.00 1.30 H new ATOM 0 HD23 LEU A 63 2.609 -0.578 11.107 1.00 1.30 H new ATOM 1010 N LYS A 64 6.535 0.885 15.200 1.00 0.65 N ATOM 1011 CA LYS A 64 7.790 0.703 15.927 1.00 0.74 C ATOM 1012 C LYS A 64 7.717 -0.445 16.951 1.00 0.76 C ATOM 1013 O LYS A 64 8.728 -1.103 17.186 1.00 0.86 O ATOM 1014 CB LYS A 64 8.219 2.004 16.624 1.00 0.87 C ATOM 1015 CG LYS A 64 8.405 3.218 15.697 1.00 1.61 C ATOM 1016 CD LYS A 64 9.844 3.490 15.227 1.00 1.27 C ATOM 1017 CE LYS A 64 10.391 2.451 14.238 1.00 1.61 C ATOM 1018 NZ LYS A 64 11.039 1.307 14.913 1.00 2.66 N ATOM 0 H LYS A 64 6.197 1.847 15.177 1.00 0.65 H new ATOM 0 HA LYS A 64 8.540 0.433 15.184 1.00 0.74 H new ATOM 0 HB2 LYS A 64 7.474 2.255 17.379 1.00 0.87 H new ATOM 0 HB3 LYS A 64 9.156 1.823 17.150 1.00 0.87 H new ATOM 0 HG2 LYS A 64 7.776 3.079 14.818 1.00 1.61 H new ATOM 0 HG3 LYS A 64 8.038 4.105 16.214 1.00 1.61 H new ATOM 0 HD2 LYS A 64 9.882 4.474 14.760 1.00 1.27 H new ATOM 0 HD3 LYS A 64 10.498 3.525 16.098 1.00 1.27 H new ATOM 0 HE2 LYS A 64 9.576 2.085 13.614 1.00 1.61 H new ATOM 0 HE3 LYS A 64 11.110 2.931 13.574 1.00 1.61 H new ATOM 0 HZ1 LYS A 64 11.084 0.499 14.260 1.00 2.66 H new ATOM 0 HZ2 LYS A 64 12.002 1.574 15.201 1.00 2.66 H new ATOM 0 HZ3 LYS A 64 10.487 1.042 15.754 1.00 2.66 H new ATOM 1032 N ALA A 65 6.551 -0.676 17.563 1.00 0.76 N ATOM 1033 CA ALA A 65 6.300 -1.807 18.458 1.00 0.86 C ATOM 1034 C ALA A 65 6.160 -3.145 17.719 1.00 0.85 C ATOM 1035 O ALA A 65 6.556 -4.186 18.237 1.00 0.99 O ATOM 1036 CB ALA A 65 5.051 -1.526 19.304 1.00 0.97 C ATOM 0 H ALA A 65 5.740 -0.069 17.447 1.00 0.76 H new ATOM 0 HA ALA A 65 7.173 -1.907 19.103 1.00 0.86 H new ATOM 0 HB1 ALA A 65 4.865 -2.369 19.970 1.00 0.97 H new ATOM 0 HB2 ALA A 65 5.208 -0.624 19.895 1.00 0.97 H new ATOM 0 HB3 ALA A 65 4.192 -1.385 18.648 1.00 0.97 H new ATOM 1042 N GLU A 66 5.595 -3.111 16.512 1.00 0.74 N ATOM 1043 CA GLU A 66 5.297 -4.270 15.687 1.00 0.74 C ATOM 1044 C GLU A 66 6.562 -4.694 14.950 1.00 0.67 C ATOM 1045 O GLU A 66 6.671 -5.840 14.535 1.00 0.74 O ATOM 1046 CB GLU A 66 4.199 -3.935 14.665 1.00 0.74 C ATOM 1047 CG GLU A 66 3.001 -3.188 15.255 1.00 0.89 C ATOM 1048 CD GLU A 66 2.270 -3.993 16.317 1.00 1.15 C ATOM 1049 OE1 GLU A 66 2.620 -3.849 17.504 1.00 1.75 O ATOM 1050 OE2 GLU A 66 1.240 -4.597 15.942 1.00 2.17 O ATOM 0 H GLU A 66 5.323 -2.234 16.068 1.00 0.74 H new ATOM 0 HA GLU A 66 4.945 -5.080 16.325 1.00 0.74 H new ATOM 0 HB2 GLU A 66 4.632 -3.332 13.867 1.00 0.74 H new ATOM 0 HB3 GLU A 66 3.847 -4.861 14.209 1.00 0.74 H new ATOM 0 HG2 GLU A 66 3.342 -2.248 15.689 1.00 0.89 H new ATOM 0 HG3 GLU A 66 2.306 -2.936 14.454 1.00 0.89 H new ATOM 1057 N ASN A 67 7.477 -3.732 14.767 1.00 0.63 N ATOM 1058 CA ASN A 67 8.633 -3.691 13.899 1.00 0.59 C ATOM 1059 C ASN A 67 9.249 -5.042 13.594 1.00 0.92 C ATOM 1060 O ASN A 67 9.624 -5.226 12.446 1.00 1.62 O ATOM 1061 CB ASN A 67 9.675 -2.736 14.493 1.00 0.73 C ATOM 1062 CG ASN A 67 10.636 -2.150 13.461 1.00 1.42 C ATOM 1063 OD1 ASN A 67 10.912 -0.950 13.504 1.00 2.22 O ATOM 1064 ND2 ASN A 67 11.144 -2.938 12.526 1.00 2.03 N ATOM 0 H ASN A 67 7.402 -2.863 15.296 1.00 0.63 H new ATOM 0 HA ASN A 67 8.281 -3.327 12.934 1.00 0.59 H new ATOM 0 HB2 ASN A 67 9.159 -1.920 14.999 1.00 0.73 H new ATOM 0 HB3 ASN A 67 10.251 -3.268 15.251 1.00 0.73 H new ATOM 0 HD21 ASN A 67 11.776 -2.554 11.824 1.00 2.03 H new ATOM 0 HD22 ASN A 67 10.903 -3.929 12.508 1.00 2.03 H new ATOM 1071 N ILE A 68 9.390 -5.907 14.603 1.00 0.81 N ATOM 1072 CA ILE A 68 10.128 -7.188 14.587 1.00 0.92 C ATOM 1073 C ILE A 68 10.880 -7.424 13.254 1.00 0.91 C ATOM 1074 O ILE A 68 12.043 -7.028 13.171 1.00 1.01 O ATOM 1075 CB ILE A 68 9.262 -8.359 15.110 1.00 1.00 C ATOM 1076 CG1 ILE A 68 9.099 -8.342 16.648 1.00 1.17 C ATOM 1077 CG2 ILE A 68 9.892 -9.730 14.796 1.00 1.09 C ATOM 1078 CD1 ILE A 68 8.379 -7.131 17.247 1.00 1.27 C ATOM 0 H ILE A 68 8.968 -5.726 15.514 1.00 0.81 H new ATOM 0 HA ILE A 68 10.940 -7.128 15.312 1.00 0.92 H new ATOM 0 HB ILE A 68 8.304 -8.224 14.608 1.00 1.00 H new ATOM 0 HG12 ILE A 68 8.558 -9.241 16.943 1.00 1.17 H new ATOM 0 HG13 ILE A 68 10.090 -8.405 17.097 1.00 1.17 H new ATOM 0 HG21 ILE A 68 9.250 -10.522 15.181 1.00 1.09 H new ATOM 0 HG22 ILE A 68 9.999 -9.843 13.717 1.00 1.09 H new ATOM 0 HG23 ILE A 68 10.873 -9.796 15.267 1.00 1.09 H new ATOM 0 HD11 ILE A 68 8.328 -7.237 18.331 1.00 1.27 H new ATOM 0 HD12 ILE A 68 8.926 -6.222 16.996 1.00 1.27 H new ATOM 0 HD13 ILE A 68 7.369 -7.071 16.841 1.00 1.27 H new ATOM 1090 N ASP A 69 10.232 -7.944 12.199 1.00 0.89 N ATOM 1091 CA ASP A 69 10.525 -7.517 10.827 1.00 0.88 C ATOM 1092 C ASP A 69 9.255 -7.427 9.981 1.00 0.83 C ATOM 1093 O ASP A 69 9.167 -7.945 8.866 1.00 1.09 O ATOM 1094 CB ASP A 69 11.606 -8.338 10.145 1.00 1.08 C ATOM 1095 CG ASP A 69 12.028 -7.690 8.820 1.00 1.15 C ATOM 1096 OD1 ASP A 69 11.921 -6.452 8.669 1.00 1.83 O ATOM 1097 OD2 ASP A 69 12.416 -8.419 7.882 1.00 2.02 O ATOM 0 H ASP A 69 9.506 -8.657 12.272 1.00 0.89 H new ATOM 0 HA ASP A 69 10.940 -6.513 10.914 1.00 0.88 H new ATOM 0 HB2 ASP A 69 12.470 -8.427 10.803 1.00 1.08 H new ATOM 0 HB3 ASP A 69 11.240 -9.348 9.961 1.00 1.08 H new ATOM 1102 N VAL A 70 8.281 -6.687 10.497 1.00 0.63 N ATOM 1103 CA VAL A 70 7.312 -6.043 9.635 1.00 0.62 C ATOM 1104 C VAL A 70 8.004 -4.801 9.090 1.00 0.71 C ATOM 1105 O VAL A 70 8.767 -4.152 9.803 1.00 0.84 O ATOM 1106 CB VAL A 70 6.024 -5.665 10.386 1.00 0.70 C ATOM 1107 CG1 VAL A 70 5.370 -6.874 11.045 1.00 0.89 C ATOM 1108 CG2 VAL A 70 6.240 -4.622 11.473 1.00 0.82 C ATOM 0 H VAL A 70 8.146 -6.522 11.495 1.00 0.63 H new ATOM 0 HA VAL A 70 6.998 -6.719 8.840 1.00 0.62 H new ATOM 0 HB VAL A 70 5.378 -5.250 9.613 1.00 0.70 H new ATOM 0 HG11 VAL A 70 4.464 -6.560 11.564 1.00 0.89 H new ATOM 0 HG12 VAL A 70 5.115 -7.610 10.283 1.00 0.89 H new ATOM 0 HG13 VAL A 70 6.063 -7.317 11.760 1.00 0.89 H new ATOM 0 HG21 VAL A 70 5.290 -4.403 11.961 1.00 0.82 H new ATOM 0 HG22 VAL A 70 6.947 -5.005 12.209 1.00 0.82 H new ATOM 0 HG23 VAL A 70 6.638 -3.710 11.028 1.00 0.82 H new ATOM 1118 N ARG A 71 7.695 -4.424 7.855 1.00 0.69 N ATOM 1119 CA ARG A 71 7.968 -3.098 7.340 1.00 0.60 C ATOM 1120 C ARG A 71 6.681 -2.670 6.672 1.00 0.63 C ATOM 1121 O ARG A 71 6.001 -3.493 6.064 1.00 0.93 O ATOM 1122 CB ARG A 71 9.166 -3.122 6.385 1.00 0.77 C ATOM 1123 CG ARG A 71 10.442 -2.820 7.186 1.00 0.76 C ATOM 1124 CD ARG A 71 11.712 -3.355 6.534 1.00 0.75 C ATOM 1125 NE ARG A 71 11.707 -4.824 6.558 1.00 0.73 N ATOM 1126 CZ ARG A 71 11.578 -5.660 5.516 1.00 0.62 C ATOM 1127 NH1 ARG A 71 11.362 -5.185 4.279 1.00 0.60 N ATOM 1128 NH2 ARG A 71 11.663 -6.979 5.735 1.00 0.78 N ATOM 0 H ARG A 71 7.243 -5.041 7.180 1.00 0.69 H new ATOM 0 HA ARG A 71 8.251 -2.388 8.117 1.00 0.60 H new ATOM 0 HB2 ARG A 71 9.245 -4.096 5.902 1.00 0.77 H new ATOM 0 HB3 ARG A 71 9.033 -2.384 5.594 1.00 0.77 H new ATOM 0 HG2 ARG A 71 10.535 -1.741 7.312 1.00 0.76 H new ATOM 0 HG3 ARG A 71 10.346 -3.251 8.183 1.00 0.76 H new ATOM 0 HD2 ARG A 71 11.780 -3.000 5.506 1.00 0.75 H new ATOM 0 HD3 ARG A 71 12.588 -2.977 7.061 1.00 0.75 H new ATOM 0 HE ARG A 71 11.814 -5.260 7.474 1.00 0.73 H new ATOM 0 HH11 ARG A 71 11.294 -4.179 4.124 1.00 0.60 H new ATOM 0 HH12 ARG A 71 11.266 -5.830 3.495 1.00 0.60 H new ATOM 0 HH21 ARG A 71 11.823 -7.330 6.679 1.00 0.78 H new ATOM 0 HH22 ARG A 71 11.568 -7.632 4.957 1.00 0.78 H new ATOM 1142 N ILE A 72 6.318 -1.404 6.843 1.00 0.40 N ATOM 1143 CA ILE A 72 5.125 -0.884 6.212 1.00 0.35 C ATOM 1144 C ILE A 72 5.507 -0.616 4.755 1.00 0.31 C ATOM 1145 O ILE A 72 6.261 0.316 4.467 1.00 0.35 O ATOM 1146 CB ILE A 72 4.568 0.324 6.993 1.00 0.36 C ATOM 1147 CG1 ILE A 72 3.432 0.984 6.198 1.00 0.44 C ATOM 1148 CG2 ILE A 72 5.607 1.370 7.425 1.00 0.38 C ATOM 1149 CD1 ILE A 72 2.827 2.118 7.013 1.00 1.35 C ATOM 0 H ILE A 72 6.832 -0.729 7.409 1.00 0.40 H new ATOM 0 HA ILE A 72 4.290 -1.585 6.223 1.00 0.35 H new ATOM 0 HB ILE A 72 4.193 -0.089 7.929 1.00 0.36 H new ATOM 0 HG12 ILE A 72 3.813 1.367 5.251 1.00 0.44 H new ATOM 0 HG13 ILE A 72 2.666 0.246 5.959 1.00 0.44 H new ATOM 0 HG21 ILE A 72 5.110 2.175 7.966 1.00 0.38 H new ATOM 0 HG22 ILE A 72 6.348 0.901 8.073 1.00 0.38 H new ATOM 0 HG23 ILE A 72 6.102 1.777 6.543 1.00 0.38 H new ATOM 0 HD11 ILE A 72 2.021 2.584 6.446 1.00 1.35 H new ATOM 0 HD12 ILE A 72 2.431 1.723 7.948 1.00 1.35 H new ATOM 0 HD13 ILE A 72 3.595 2.861 7.229 1.00 1.35 H new ATOM 1161 N ILE A 73 5.076 -1.490 3.843 1.00 0.32 N ATOM 1162 CA ILE A 73 5.357 -1.334 2.430 1.00 0.31 C ATOM 1163 C ILE A 73 4.339 -0.360 1.862 1.00 0.33 C ATOM 1164 O ILE A 73 3.186 -0.351 2.283 1.00 0.45 O ATOM 1165 CB ILE A 73 5.328 -2.709 1.741 1.00 0.31 C ATOM 1166 CG1 ILE A 73 6.726 -3.338 1.711 1.00 0.34 C ATOM 1167 CG2 ILE A 73 4.777 -2.673 0.309 1.00 0.34 C ATOM 1168 CD1 ILE A 73 7.254 -3.648 3.114 1.00 0.38 C ATOM 0 H ILE A 73 4.526 -2.319 4.070 1.00 0.32 H new ATOM 0 HA ILE A 73 6.353 -0.927 2.257 1.00 0.31 H new ATOM 0 HB ILE A 73 4.648 -3.313 2.342 1.00 0.31 H new ATOM 0 HG12 ILE A 73 6.696 -4.257 1.125 1.00 0.34 H new ATOM 0 HG13 ILE A 73 7.416 -2.661 1.207 1.00 0.34 H new ATOM 0 HG21 ILE A 73 4.788 -3.679 -0.110 1.00 0.34 H new ATOM 0 HG22 ILE A 73 3.754 -2.296 0.322 1.00 0.34 H new ATOM 0 HG23 ILE A 73 5.397 -2.018 -0.303 1.00 0.34 H new ATOM 0 HD11 ILE A 73 8.247 -4.092 3.039 1.00 0.38 H new ATOM 0 HD12 ILE A 73 7.311 -2.726 3.693 1.00 0.38 H new ATOM 0 HD13 ILE A 73 6.580 -4.347 3.610 1.00 0.38 H new ATOM 1180 N SER A 74 4.747 0.466 0.900 1.00 0.35 N ATOM 1181 CA SER A 74 3.832 1.428 0.314 1.00 0.39 C ATOM 1182 C SER A 74 4.179 1.606 -1.166 1.00 0.47 C ATOM 1183 O SER A 74 5.203 2.214 -1.472 1.00 0.53 O ATOM 1184 CB SER A 74 3.950 2.725 1.119 1.00 0.51 C ATOM 1185 OG SER A 74 2.970 3.673 0.748 1.00 1.33 O ATOM 0 H SER A 74 5.693 0.485 0.518 1.00 0.35 H new ATOM 0 HA SER A 74 2.795 1.094 0.356 1.00 0.39 H new ATOM 0 HB2 SER A 74 3.853 2.502 2.181 1.00 0.51 H new ATOM 0 HB3 SER A 74 4.942 3.153 0.972 1.00 0.51 H new ATOM 0 HG SER A 74 3.080 4.485 1.286 1.00 1.33 H new ATOM 1191 N PHE A 75 3.411 1.025 -2.094 1.00 0.63 N ATOM 1192 CA PHE A 75 3.833 1.012 -3.496 1.00 0.73 C ATOM 1193 C PHE A 75 3.393 2.250 -4.280 1.00 0.65 C ATOM 1194 O PHE A 75 2.384 2.888 -3.974 1.00 0.70 O ATOM 1195 CB PHE A 75 3.475 -0.302 -4.199 1.00 0.97 C ATOM 1196 CG PHE A 75 2.008 -0.671 -4.270 1.00 0.70 C ATOM 1197 CD1 PHE A 75 1.210 -0.170 -5.319 1.00 2.18 C ATOM 1198 CD2 PHE A 75 1.527 -1.725 -3.472 1.00 1.77 C ATOM 1199 CE1 PHE A 75 -0.043 -0.748 -5.588 1.00 2.28 C ATOM 1200 CE2 PHE A 75 0.318 -2.359 -3.800 1.00 1.77 C ATOM 1201 CZ PHE A 75 -0.469 -1.869 -4.855 1.00 0.97 C ATOM 0 H PHE A 75 2.518 0.569 -1.907 1.00 0.63 H new ATOM 0 HA PHE A 75 4.922 1.065 -3.478 1.00 0.73 H new ATOM 0 HB2 PHE A 75 3.862 -0.257 -5.217 1.00 0.97 H new ATOM 0 HB3 PHE A 75 4.003 -1.111 -3.693 1.00 0.97 H new ATOM 0 HD1 PHE A 75 1.562 0.658 -5.916 1.00 2.18 H new ATOM 0 HD2 PHE A 75 2.088 -2.047 -2.607 1.00 1.77 H new ATOM 0 HE1 PHE A 75 -0.677 -0.331 -6.357 1.00 2.28 H new ATOM 0 HE2 PHE A 75 -0.007 -3.224 -3.241 1.00 1.77 H new ATOM 0 HZ PHE A 75 -1.402 -2.354 -5.103 1.00 0.97 H new ATOM 1211 N SER A 76 4.158 2.577 -5.324 1.00 0.58 N ATOM 1212 CA SER A 76 3.871 3.714 -6.176 1.00 0.55 C ATOM 1213 C SER A 76 2.722 3.365 -7.116 1.00 0.53 C ATOM 1214 O SER A 76 2.707 2.306 -7.742 1.00 0.56 O ATOM 1215 CB SER A 76 5.117 4.110 -6.974 1.00 0.60 C ATOM 1216 OG SER A 76 4.855 5.286 -7.715 1.00 1.47 O ATOM 0 H SER A 76 4.992 2.056 -5.595 1.00 0.58 H new ATOM 0 HA SER A 76 3.581 4.563 -5.558 1.00 0.55 H new ATOM 0 HB2 SER A 76 5.956 4.274 -6.298 1.00 0.60 H new ATOM 0 HB3 SER A 76 5.402 3.301 -7.646 1.00 0.60 H new ATOM 0 HG SER A 76 5.654 5.538 -8.223 1.00 1.47 H new ATOM 1222 N VAL A 77 1.753 4.269 -7.203 1.00 0.67 N ATOM 1223 CA VAL A 77 0.656 4.215 -8.142 1.00 0.69 C ATOM 1224 C VAL A 77 1.128 4.950 -9.397 1.00 0.70 C ATOM 1225 O VAL A 77 1.215 6.173 -9.390 1.00 0.85 O ATOM 1226 CB VAL A 77 -0.568 4.872 -7.493 1.00 0.82 C ATOM 1227 CG1 VAL A 77 -1.746 4.914 -8.473 1.00 0.92 C ATOM 1228 CG2 VAL A 77 -1.003 4.098 -6.244 1.00 0.92 C ATOM 0 H VAL A 77 1.715 5.087 -6.595 1.00 0.67 H new ATOM 0 HA VAL A 77 0.367 3.200 -8.413 1.00 0.69 H new ATOM 0 HB VAL A 77 -0.283 5.887 -7.216 1.00 0.82 H new ATOM 0 HG11 VAL A 77 -2.603 5.384 -7.991 1.00 0.92 H new ATOM 0 HG12 VAL A 77 -1.465 5.489 -9.355 1.00 0.92 H new ATOM 0 HG13 VAL A 77 -2.008 3.899 -8.770 1.00 0.92 H new ATOM 0 HG21 VAL A 77 -1.873 4.582 -5.800 1.00 0.92 H new ATOM 0 HG22 VAL A 77 -1.259 3.075 -6.521 1.00 0.92 H new ATOM 0 HG23 VAL A 77 -0.187 4.085 -5.521 1.00 0.92 H new ATOM 1238 N ASP A 78 1.455 4.181 -10.441 1.00 0.79 N ATOM 1239 CA ASP A 78 2.059 4.638 -11.693 1.00 0.86 C ATOM 1240 C ASP A 78 3.456 5.201 -11.430 1.00 0.81 C ATOM 1241 O ASP A 78 3.656 6.409 -11.499 1.00 0.95 O ATOM 1242 CB ASP A 78 1.171 5.638 -12.463 1.00 1.06 C ATOM 1243 CG ASP A 78 1.794 6.136 -13.766 1.00 1.40 C ATOM 1244 OD1 ASP A 78 2.956 5.780 -14.066 1.00 2.59 O ATOM 1245 OD2 ASP A 78 1.090 6.900 -14.459 1.00 1.95 O ATOM 0 H ASP A 78 1.297 3.173 -10.433 1.00 0.79 H new ATOM 0 HA ASP A 78 2.151 3.770 -12.345 1.00 0.86 H new ATOM 0 HB2 ASP A 78 0.215 5.164 -12.686 1.00 1.06 H new ATOM 0 HB3 ASP A 78 0.961 6.493 -11.821 1.00 1.06 H new ATOM 1250 N PRO A 79 4.456 4.348 -11.169 1.00 0.75 N ATOM 1251 CA PRO A 79 5.826 4.809 -11.073 1.00 0.81 C ATOM 1252 C PRO A 79 6.380 5.270 -12.423 1.00 0.87 C ATOM 1253 O PRO A 79 7.417 5.934 -12.425 1.00 1.00 O ATOM 1254 CB PRO A 79 6.633 3.630 -10.528 1.00 0.88 C ATOM 1255 CG PRO A 79 5.826 2.430 -11.011 1.00 0.83 C ATOM 1256 CD PRO A 79 4.379 2.917 -10.934 1.00 0.73 C ATOM 0 HA PRO A 79 5.888 5.679 -10.419 1.00 0.81 H new ATOM 0 HB2 PRO A 79 7.651 3.619 -10.919 1.00 0.88 H new ATOM 0 HB3 PRO A 79 6.709 3.658 -9.441 1.00 0.88 H new ATOM 0 HG2 PRO A 79 6.100 2.145 -12.027 1.00 0.83 H new ATOM 0 HG3 PRO A 79 5.989 1.556 -10.380 1.00 0.83 H new ATOM 0 HD2 PRO A 79 3.756 2.426 -11.682 1.00 0.73 H new ATOM 0 HD3 PRO A 79 3.940 2.699 -9.961 1.00 0.73 H new ATOM 1264 N GLU A 80 5.751 4.925 -13.561 1.00 0.89 N ATOM 1265 CA GLU A 80 6.253 5.440 -14.839 1.00 1.03 C ATOM 1266 C GLU A 80 6.176 6.970 -14.847 1.00 0.95 C ATOM 1267 O GLU A 80 7.166 7.642 -15.137 1.00 1.12 O ATOM 1268 CB GLU A 80 5.545 4.816 -16.049 1.00 1.35 C ATOM 1269 CG GLU A 80 6.082 3.398 -16.295 1.00 2.10 C ATOM 1270 CD GLU A 80 5.272 2.626 -17.332 1.00 2.47 C ATOM 1271 OE1 GLU A 80 5.431 2.945 -18.530 1.00 2.75 O ATOM 1272 OE2 GLU A 80 4.553 1.692 -16.914 1.00 3.24 O ATOM 0 H GLU A 80 4.932 4.320 -13.621 1.00 0.89 H new ATOM 0 HA GLU A 80 7.298 5.145 -14.934 1.00 1.03 H new ATOM 0 HB2 GLU A 80 4.470 4.782 -15.874 1.00 1.35 H new ATOM 0 HB3 GLU A 80 5.705 5.433 -16.933 1.00 1.35 H new ATOM 0 HG2 GLU A 80 7.119 3.460 -16.625 1.00 2.10 H new ATOM 0 HG3 GLU A 80 6.079 2.846 -15.355 1.00 2.10 H new ATOM 1279 N ASN A 81 5.016 7.528 -14.495 1.00 0.87 N ATOM 1280 CA ASN A 81 4.913 8.960 -14.248 1.00 1.01 C ATOM 1281 C ASN A 81 5.593 9.293 -12.923 1.00 1.14 C ATOM 1282 O ASN A 81 6.540 10.082 -12.884 1.00 1.72 O ATOM 1283 CB ASN A 81 3.454 9.434 -14.257 1.00 1.31 C ATOM 1284 CG ASN A 81 2.942 9.615 -15.683 1.00 1.78 C ATOM 1285 OD1 ASN A 81 3.365 10.534 -16.381 1.00 2.91 O ATOM 1286 ND2 ASN A 81 2.036 8.761 -16.141 1.00 2.19 N ATOM 0 H ASN A 81 4.144 7.012 -14.376 1.00 0.87 H new ATOM 0 HA ASN A 81 5.419 9.491 -15.055 1.00 1.01 H new ATOM 0 HB2 ASN A 81 2.830 8.710 -13.733 1.00 1.31 H new ATOM 0 HB3 ASN A 81 3.372 10.377 -13.716 1.00 1.31 H new ATOM 0 HD21 ASN A 81 1.676 8.860 -17.090 1.00 2.19 H new ATOM 0 HD22 ASN A 81 1.699 8.006 -15.544 1.00 2.19 H new ATOM 1293 N ASP A 82 5.121 8.701 -11.829 1.00 0.98 N ATOM 1294 CA ASP A 82 5.522 9.065 -10.480 1.00 1.07 C ATOM 1295 C ASP A 82 6.813 8.348 -10.082 1.00 1.24 C ATOM 1296 O ASP A 82 6.845 7.497 -9.193 1.00 2.62 O ATOM 1297 CB ASP A 82 4.368 8.810 -9.504 1.00 1.02 C ATOM 1298 CG ASP A 82 3.269 9.867 -9.561 1.00 1.48 C ATOM 1299 OD1 ASP A 82 3.371 10.791 -10.397 1.00 2.52 O ATOM 1300 OD2 ASP A 82 2.377 9.782 -8.692 1.00 2.25 O ATOM 0 H ASP A 82 4.439 7.943 -11.859 1.00 0.98 H new ATOM 0 HA ASP A 82 5.744 10.131 -10.443 1.00 1.07 H new ATOM 0 HB2 ASP A 82 3.932 7.834 -9.718 1.00 1.02 H new ATOM 0 HB3 ASP A 82 4.765 8.766 -8.490 1.00 1.02 H new ATOM 1305 N LYS A 83 7.908 8.748 -10.729 1.00 0.91 N ATOM 1306 CA LYS A 83 9.257 8.321 -10.381 1.00 0.95 C ATOM 1307 C LYS A 83 9.520 8.462 -8.867 1.00 0.82 C ATOM 1308 O LYS A 83 9.087 9.442 -8.259 1.00 0.82 O ATOM 1309 CB LYS A 83 10.277 9.063 -11.253 1.00 1.14 C ATOM 1310 CG LYS A 83 10.219 10.575 -11.017 1.00 3.16 C ATOM 1311 CD LYS A 83 10.420 11.389 -12.307 1.00 3.18 C ATOM 1312 CE LYS A 83 9.141 11.326 -13.159 1.00 3.14 C ATOM 1313 NZ LYS A 83 9.227 12.072 -14.429 1.00 3.74 N ATOM 0 H LYS A 83 7.878 9.388 -11.522 1.00 0.91 H new ATOM 0 HA LYS A 83 9.367 7.258 -10.594 1.00 0.95 H new ATOM 0 HB2 LYS A 83 11.280 8.697 -11.033 1.00 1.14 H new ATOM 0 HB3 LYS A 83 10.083 8.850 -12.304 1.00 1.14 H new ATOM 0 HG2 LYS A 83 9.256 10.833 -10.577 1.00 3.16 H new ATOM 0 HG3 LYS A 83 10.985 10.855 -10.294 1.00 3.16 H new ATOM 0 HD2 LYS A 83 10.656 12.425 -12.063 1.00 3.18 H new ATOM 0 HD3 LYS A 83 11.265 10.994 -12.871 1.00 3.18 H new ATOM 0 HE2 LYS A 83 8.914 10.283 -13.377 1.00 3.14 H new ATOM 0 HE3 LYS A 83 8.308 11.718 -12.575 1.00 3.14 H new ATOM 0 HZ1 LYS A 83 8.329 11.982 -14.946 1.00 3.74 H new ATOM 0 HZ2 LYS A 83 9.413 13.076 -14.230 1.00 3.74 H new ATOM 0 HZ3 LYS A 83 10.000 11.685 -15.008 1.00 3.74 H new ATOM 1327 N PRO A 84 10.239 7.513 -8.240 1.00 0.76 N ATOM 1328 CA PRO A 84 10.324 7.388 -6.788 1.00 0.61 C ATOM 1329 C PRO A 84 10.816 8.654 -6.079 1.00 0.59 C ATOM 1330 O PRO A 84 10.411 8.929 -4.954 1.00 0.49 O ATOM 1331 CB PRO A 84 11.221 6.175 -6.514 1.00 0.60 C ATOM 1332 CG PRO A 84 11.973 5.961 -7.828 1.00 0.73 C ATOM 1333 CD PRO A 84 10.965 6.427 -8.876 1.00 0.84 C ATOM 0 HA PRO A 84 9.326 7.246 -6.372 1.00 0.61 H new ATOM 0 HB2 PRO A 84 11.907 6.365 -5.689 1.00 0.60 H new ATOM 0 HB3 PRO A 84 10.633 5.298 -6.244 1.00 0.60 H new ATOM 0 HG2 PRO A 84 12.894 6.543 -7.866 1.00 0.73 H new ATOM 0 HG3 PRO A 84 12.250 4.916 -7.970 1.00 0.73 H new ATOM 0 HD2 PRO A 84 11.466 6.765 -9.783 1.00 0.84 H new ATOM 0 HD3 PRO A 84 10.293 5.619 -9.165 1.00 0.84 H new ATOM 1341 N LYS A 85 11.669 9.456 -6.716 1.00 0.76 N ATOM 1342 CA LYS A 85 12.105 10.716 -6.154 1.00 0.84 C ATOM 1343 C LYS A 85 10.938 11.688 -5.929 1.00 0.74 C ATOM 1344 O LYS A 85 10.929 12.420 -4.939 1.00 0.68 O ATOM 1345 CB LYS A 85 13.206 11.275 -7.043 1.00 1.21 C ATOM 1346 CG LYS A 85 14.581 10.804 -6.573 1.00 1.62 C ATOM 1347 CD LYS A 85 15.700 11.172 -7.556 1.00 1.74 C ATOM 1348 CE LYS A 85 17.043 10.643 -7.023 1.00 2.67 C ATOM 1349 NZ LYS A 85 18.166 10.913 -7.946 1.00 3.10 N ATOM 0 H LYS A 85 12.070 9.245 -7.630 1.00 0.76 H new ATOM 0 HA LYS A 85 12.513 10.559 -5.156 1.00 0.84 H new ATOM 0 HB2 LYS A 85 13.042 10.959 -8.073 1.00 1.21 H new ATOM 0 HB3 LYS A 85 13.168 12.364 -7.034 1.00 1.21 H new ATOM 0 HG2 LYS A 85 14.798 11.244 -5.600 1.00 1.62 H new ATOM 0 HG3 LYS A 85 14.563 9.723 -6.437 1.00 1.62 H new ATOM 0 HD2 LYS A 85 15.492 10.745 -8.537 1.00 1.74 H new ATOM 0 HD3 LYS A 85 15.747 12.254 -7.682 1.00 1.74 H new ATOM 0 HE2 LYS A 85 17.253 11.102 -6.057 1.00 2.67 H new ATOM 0 HE3 LYS A 85 16.966 9.569 -6.855 1.00 2.67 H new ATOM 0 HZ1 LYS A 85 19.047 10.537 -7.540 1.00 3.10 H new ATOM 0 HZ2 LYS A 85 17.982 10.453 -8.861 1.00 3.10 H new ATOM 0 HZ3 LYS A 85 18.260 11.939 -8.087 1.00 3.10 H new ATOM 1363 N GLN A 86 9.938 11.684 -6.817 1.00 0.81 N ATOM 1364 CA GLN A 86 8.748 12.502 -6.642 1.00 0.85 C ATOM 1365 C GLN A 86 7.895 11.952 -5.503 1.00 0.66 C ATOM 1366 O GLN A 86 7.256 12.727 -4.789 1.00 0.71 O ATOM 1367 CB GLN A 86 7.959 12.612 -7.944 1.00 1.18 C ATOM 1368 CG GLN A 86 8.714 13.372 -9.043 1.00 1.84 C ATOM 1369 CD GLN A 86 8.963 14.832 -8.673 1.00 2.47 C ATOM 1370 OE1 GLN A 86 10.105 15.263 -8.561 1.00 3.66 O ATOM 1371 NE2 GLN A 86 7.898 15.605 -8.474 1.00 2.28 N ATOM 0 H GLN A 86 9.936 11.118 -7.666 1.00 0.81 H new ATOM 0 HA GLN A 86 9.054 13.513 -6.373 1.00 0.85 H new ATOM 0 HB2 GLN A 86 7.719 11.611 -8.302 1.00 1.18 H new ATOM 0 HB3 GLN A 86 7.013 13.115 -7.747 1.00 1.18 H new ATOM 0 HG2 GLN A 86 9.668 12.880 -9.232 1.00 1.84 H new ATOM 0 HG3 GLN A 86 8.143 13.327 -9.970 1.00 1.84 H new ATOM 0 HE21 GLN A 86 6.960 15.217 -8.575 1.00 2.28 H new ATOM 0 HE22 GLN A 86 8.020 16.586 -8.221 1.00 2.28 H new ATOM 1380 N LEU A 87 7.887 10.626 -5.316 1.00 0.65 N ATOM 1381 CA LEU A 87 7.296 10.050 -4.119 1.00 0.61 C ATOM 1382 C LEU A 87 8.035 10.572 -2.898 1.00 0.56 C ATOM 1383 O LEU A 87 7.390 11.040 -1.973 1.00 0.71 O ATOM 1384 CB LEU A 87 7.272 8.514 -4.119 1.00 0.60 C ATOM 1385 CG LEU A 87 6.007 7.956 -4.780 1.00 0.62 C ATOM 1386 CD1 LEU A 87 6.132 7.882 -6.297 1.00 1.27 C ATOM 1387 CD2 LEU A 87 5.709 6.556 -4.240 1.00 0.97 C ATOM 0 H LEU A 87 8.278 9.948 -5.971 1.00 0.65 H new ATOM 0 HA LEU A 87 6.251 10.360 -4.095 1.00 0.61 H new ATOM 0 HB2 LEU A 87 8.150 8.138 -4.644 1.00 0.60 H new ATOM 0 HB3 LEU A 87 7.334 8.151 -3.093 1.00 0.60 H new ATOM 0 HG LEU A 87 5.194 8.640 -4.539 1.00 0.62 H new ATOM 0 HD11 LEU A 87 5.211 7.480 -6.719 1.00 1.27 H new ATOM 0 HD12 LEU A 87 6.309 8.881 -6.697 1.00 1.27 H new ATOM 0 HD13 LEU A 87 6.966 7.232 -6.562 1.00 1.27 H new ATOM 0 HD21 LEU A 87 4.808 6.167 -4.715 1.00 0.97 H new ATOM 0 HD22 LEU A 87 6.548 5.896 -4.458 1.00 0.97 H new ATOM 0 HD23 LEU A 87 5.558 6.607 -3.162 1.00 0.97 H new ATOM 1399 N LYS A 88 9.368 10.515 -2.881 1.00 0.48 N ATOM 1400 CA LYS A 88 10.135 10.974 -1.731 1.00 0.60 C ATOM 1401 C LYS A 88 9.816 12.442 -1.420 1.00 0.68 C ATOM 1402 O LYS A 88 9.512 12.775 -0.276 1.00 0.89 O ATOM 1403 CB LYS A 88 11.634 10.706 -1.933 1.00 0.75 C ATOM 1404 CG LYS A 88 12.336 10.512 -0.579 1.00 1.07 C ATOM 1405 CD LYS A 88 13.806 10.108 -0.766 1.00 1.23 C ATOM 1406 CE LYS A 88 14.563 9.980 0.568 1.00 1.81 C ATOM 1407 NZ LYS A 88 14.039 8.901 1.434 1.00 2.06 N ATOM 0 H LYS A 88 9.934 10.156 -3.650 1.00 0.48 H new ATOM 0 HA LYS A 88 9.840 10.402 -0.852 1.00 0.60 H new ATOM 0 HB2 LYS A 88 11.770 9.818 -2.550 1.00 0.75 H new ATOM 0 HB3 LYS A 88 12.089 11.539 -2.469 1.00 0.75 H new ATOM 0 HG2 LYS A 88 12.281 11.435 -0.003 1.00 1.07 H new ATOM 0 HG3 LYS A 88 11.816 9.746 -0.004 1.00 1.07 H new ATOM 0 HD2 LYS A 88 13.852 9.157 -1.297 1.00 1.23 H new ATOM 0 HD3 LYS A 88 14.305 10.848 -1.392 1.00 1.23 H new ATOM 0 HE2 LYS A 88 15.617 9.793 0.364 1.00 1.81 H new ATOM 0 HE3 LYS A 88 14.505 10.928 1.104 1.00 1.81 H new ATOM 0 HZ1 LYS A 88 14.773 8.612 2.111 1.00 2.06 H new ATOM 0 HZ2 LYS A 88 13.206 9.246 1.953 1.00 2.06 H new ATOM 0 HZ3 LYS A 88 13.769 8.086 0.848 1.00 2.06 H new ATOM 1421 N LYS A 89 9.846 13.314 -2.434 1.00 0.60 N ATOM 1422 CA LYS A 89 9.448 14.697 -2.311 1.00 0.65 C ATOM 1423 C LYS A 89 8.047 14.853 -1.715 1.00 0.73 C ATOM 1424 O LYS A 89 7.867 15.561 -0.730 1.00 0.87 O ATOM 1425 CB LYS A 89 9.529 15.295 -3.711 1.00 0.64 C ATOM 1426 CG LYS A 89 9.501 16.816 -3.656 1.00 1.80 C ATOM 1427 CD LYS A 89 8.173 17.374 -4.193 1.00 2.79 C ATOM 1428 CE LYS A 89 8.060 18.893 -3.977 1.00 4.25 C ATOM 1429 NZ LYS A 89 6.702 19.386 -4.290 1.00 5.17 N ATOM 0 H LYS A 89 10.154 13.062 -3.373 1.00 0.60 H new ATOM 0 HA LYS A 89 10.109 15.219 -1.619 1.00 0.65 H new ATOM 0 HB2 LYS A 89 10.444 14.962 -4.200 1.00 0.64 H new ATOM 0 HB3 LYS A 89 8.696 14.934 -4.314 1.00 0.64 H new ATOM 0 HG2 LYS A 89 9.647 17.147 -2.628 1.00 1.80 H new ATOM 0 HG3 LYS A 89 10.329 17.218 -4.240 1.00 1.80 H new ATOM 0 HD2 LYS A 89 8.089 17.151 -5.257 1.00 2.79 H new ATOM 0 HD3 LYS A 89 7.342 16.874 -3.696 1.00 2.79 H new ATOM 0 HE2 LYS A 89 8.306 19.134 -2.943 1.00 4.25 H new ATOM 0 HE3 LYS A 89 8.788 19.406 -4.605 1.00 4.25 H new ATOM 0 HZ1 LYS A 89 6.661 20.413 -4.134 1.00 5.17 H new ATOM 0 HZ2 LYS A 89 6.478 19.178 -5.284 1.00 5.17 H new ATOM 0 HZ3 LYS A 89 6.011 18.914 -3.673 1.00 5.17 H new ATOM 1443 N PHE A 90 7.048 14.208 -2.321 1.00 0.77 N ATOM 1444 CA PHE A 90 5.673 14.290 -1.847 1.00 0.97 C ATOM 1445 C PHE A 90 5.583 13.813 -0.401 1.00 1.10 C ATOM 1446 O PHE A 90 4.995 14.473 0.451 1.00 1.22 O ATOM 1447 CB PHE A 90 4.765 13.462 -2.760 1.00 1.10 C ATOM 1448 CG PHE A 90 3.503 12.951 -2.105 1.00 1.00 C ATOM 1449 CD1 PHE A 90 2.551 13.879 -1.652 1.00 1.86 C ATOM 1450 CD2 PHE A 90 3.398 11.597 -1.732 1.00 1.77 C ATOM 1451 CE1 PHE A 90 1.532 13.465 -0.782 1.00 1.74 C ATOM 1452 CE2 PHE A 90 2.354 11.181 -0.890 1.00 1.81 C ATOM 1453 CZ PHE A 90 1.431 12.119 -0.403 1.00 0.91 C ATOM 0 H PHE A 90 7.171 13.621 -3.146 1.00 0.77 H new ATOM 0 HA PHE A 90 5.340 15.328 -1.877 1.00 0.97 H new ATOM 0 HB2 PHE A 90 4.490 14.069 -3.622 1.00 1.10 H new ATOM 0 HB3 PHE A 90 5.332 12.611 -3.137 1.00 1.10 H new ATOM 0 HD1 PHE A 90 2.604 14.909 -1.973 1.00 1.86 H new ATOM 0 HD2 PHE A 90 4.120 10.879 -2.093 1.00 1.77 H new ATOM 0 HE1 PHE A 90 0.823 14.186 -0.403 1.00 1.74 H new ATOM 0 HE2 PHE A 90 2.262 10.140 -0.618 1.00 1.81 H new ATOM 0 HZ PHE A 90 0.642 11.804 0.264 1.00 0.91 H new ATOM 1463 N ALA A 91 6.190 12.662 -0.132 1.00 1.18 N ATOM 1464 CA ALA A 91 6.184 12.015 1.159 1.00 1.43 C ATOM 1465 C ALA A 91 6.704 13.003 2.192 1.00 1.61 C ATOM 1466 O ALA A 91 6.045 13.253 3.193 1.00 2.24 O ATOM 1467 CB ALA A 91 7.047 10.755 1.087 1.00 1.35 C ATOM 0 H ALA A 91 6.715 12.143 -0.836 1.00 1.18 H new ATOM 0 HA ALA A 91 5.178 11.713 1.449 1.00 1.43 H new ATOM 0 HB1 ALA A 91 7.049 10.259 2.058 1.00 1.35 H new ATOM 0 HB2 ALA A 91 6.641 10.079 0.335 1.00 1.35 H new ATOM 0 HB3 ALA A 91 8.067 11.028 0.817 1.00 1.35 H new ATOM 1473 N ALA A 92 7.848 13.623 1.899 1.00 1.24 N ATOM 1474 CA ALA A 92 8.450 14.646 2.736 1.00 1.32 C ATOM 1475 C ALA A 92 7.510 15.822 3.043 1.00 1.20 C ATOM 1476 O ALA A 92 7.740 16.527 4.023 1.00 1.32 O ATOM 1477 CB ALA A 92 9.742 15.127 2.075 1.00 1.26 C ATOM 0 H ALA A 92 8.387 13.420 1.057 1.00 1.24 H new ATOM 0 HA ALA A 92 8.667 14.196 3.705 1.00 1.32 H new ATOM 0 HB1 ALA A 92 10.203 15.896 2.695 1.00 1.26 H new ATOM 0 HB2 ALA A 92 10.429 14.288 1.966 1.00 1.26 H new ATOM 0 HB3 ALA A 92 9.516 15.541 1.092 1.00 1.26 H new ATOM 1483 N ASN A 93 6.459 16.054 2.243 1.00 1.09 N ATOM 1484 CA ASN A 93 5.461 17.066 2.596 1.00 1.08 C ATOM 1485 C ASN A 93 4.713 16.642 3.861 1.00 1.01 C ATOM 1486 O ASN A 93 4.393 17.478 4.703 1.00 1.28 O ATOM 1487 CB ASN A 93 4.427 17.300 1.487 1.00 1.19 C ATOM 1488 CG ASN A 93 4.997 17.722 0.137 1.00 1.47 C ATOM 1489 OD1 ASN A 93 6.096 18.261 0.031 1.00 1.40 O ATOM 1490 ND2 ASN A 93 4.209 17.505 -0.911 1.00 2.84 N ATOM 0 H ASN A 93 6.282 15.565 1.366 1.00 1.09 H new ATOM 0 HA ASN A 93 6.009 17.995 2.752 1.00 1.08 H new ATOM 0 HB2 ASN A 93 3.854 16.383 1.349 1.00 1.19 H new ATOM 0 HB3 ASN A 93 3.728 18.066 1.822 1.00 1.19 H new ATOM 0 HD21 ASN A 93 4.510 17.789 -1.843 1.00 2.84 H new ATOM 0 HD22 ASN A 93 3.303 17.054 -0.783 1.00 2.84 H new ATOM 1497 N TYR A 94 4.397 15.348 3.981 1.00 0.83 N ATOM 1498 CA TYR A 94 3.792 14.796 5.182 1.00 0.93 C ATOM 1499 C TYR A 94 4.888 14.576 6.231 1.00 1.00 C ATOM 1500 O TYR A 94 6.012 14.214 5.885 1.00 1.14 O ATOM 1501 CB TYR A 94 3.066 13.481 4.861 1.00 1.05 C ATOM 1502 CG TYR A 94 1.627 13.677 4.433 1.00 1.04 C ATOM 1503 CD1 TYR A 94 0.626 13.809 5.410 1.00 2.33 C ATOM 1504 CD2 TYR A 94 1.295 13.810 3.073 1.00 1.80 C ATOM 1505 CE1 TYR A 94 -0.676 14.188 5.038 1.00 2.34 C ATOM 1506 CE2 TYR A 94 -0.024 14.131 2.706 1.00 1.84 C ATOM 1507 CZ TYR A 94 -0.982 14.423 3.690 1.00 1.12 C ATOM 1508 OH TYR A 94 -2.275 14.685 3.347 1.00 1.24 O ATOM 0 H TYR A 94 4.556 14.660 3.245 1.00 0.83 H new ATOM 0 HA TYR A 94 3.052 15.493 5.576 1.00 0.93 H new ATOM 0 HB2 TYR A 94 3.605 12.961 4.069 1.00 1.05 H new ATOM 0 HB3 TYR A 94 3.091 12.837 5.740 1.00 1.05 H new ATOM 0 HD1 TYR A 94 0.857 13.619 6.448 1.00 2.33 H new ATOM 0 HD2 TYR A 94 2.050 13.666 2.314 1.00 1.80 H new ATOM 0 HE1 TYR A 94 -1.442 14.298 5.792 1.00 2.34 H new ATOM 0 HE2 TYR A 94 -0.301 14.153 1.662 1.00 1.84 H new ATOM 0 HH TYR A 94 -2.334 14.828 2.379 1.00 1.24 H new ATOM 1518 N PRO A 95 4.588 14.755 7.525 1.00 1.02 N ATOM 1519 CA PRO A 95 5.497 14.336 8.570 1.00 1.05 C ATOM 1520 C PRO A 95 5.545 12.806 8.563 1.00 1.09 C ATOM 1521 O PRO A 95 4.555 12.155 8.885 1.00 1.86 O ATOM 1522 CB PRO A 95 4.909 14.905 9.865 1.00 1.23 C ATOM 1523 CG PRO A 95 3.407 14.973 9.582 1.00 1.18 C ATOM 1524 CD PRO A 95 3.338 15.246 8.079 1.00 1.06 C ATOM 0 HA PRO A 95 6.521 14.689 8.446 1.00 1.05 H new ATOM 0 HB2 PRO A 95 5.127 14.264 10.719 1.00 1.23 H new ATOM 0 HB3 PRO A 95 5.319 15.889 10.092 1.00 1.23 H new ATOM 0 HG2 PRO A 95 2.907 14.041 9.844 1.00 1.18 H new ATOM 0 HG3 PRO A 95 2.926 15.765 10.156 1.00 1.18 H new ATOM 0 HD2 PRO A 95 2.485 14.738 7.629 1.00 1.06 H new ATOM 0 HD3 PRO A 95 3.215 16.311 7.881 1.00 1.06 H new ATOM 1532 N LEU A 96 6.683 12.230 8.173 1.00 0.87 N ATOM 1533 CA LEU A 96 6.962 10.803 8.206 1.00 0.77 C ATOM 1534 C LEU A 96 8.467 10.604 8.276 1.00 0.77 C ATOM 1535 O LEU A 96 9.231 11.565 8.207 1.00 0.91 O ATOM 1536 CB LEU A 96 6.355 10.106 6.989 1.00 0.78 C ATOM 1537 CG LEU A 96 6.786 10.637 5.617 1.00 1.06 C ATOM 1538 CD1 LEU A 96 7.949 9.822 5.038 1.00 1.10 C ATOM 1539 CD2 LEU A 96 5.556 10.509 4.721 1.00 1.33 C ATOM 0 H LEU A 96 7.466 12.774 7.811 1.00 0.87 H new ATOM 0 HA LEU A 96 6.504 10.354 9.087 1.00 0.77 H new ATOM 0 HB2 LEU A 96 6.607 9.047 7.040 1.00 0.78 H new ATOM 0 HB3 LEU A 96 5.270 10.179 7.059 1.00 0.78 H new ATOM 0 HG LEU A 96 7.137 11.666 5.691 1.00 1.06 H new ATOM 0 HD11 LEU A 96 8.228 10.227 4.065 1.00 1.10 H new ATOM 0 HD12 LEU A 96 8.803 9.877 5.713 1.00 1.10 H new ATOM 0 HD13 LEU A 96 7.643 8.782 4.924 1.00 1.10 H new ATOM 0 HD21 LEU A 96 5.795 10.872 3.721 1.00 1.33 H new ATOM 0 HD22 LEU A 96 5.254 9.463 4.665 1.00 1.33 H new ATOM 0 HD23 LEU A 96 4.740 11.100 5.137 1.00 1.33 H new ATOM 1551 N SER A 97 8.875 9.342 8.389 1.00 0.75 N ATOM 1552 CA SER A 97 10.250 8.920 8.214 1.00 0.84 C ATOM 1553 C SER A 97 10.252 7.729 7.266 1.00 0.87 C ATOM 1554 O SER A 97 9.209 7.170 6.935 1.00 1.35 O ATOM 1555 CB SER A 97 10.885 8.554 9.561 1.00 0.97 C ATOM 1556 OG SER A 97 12.209 8.082 9.368 1.00 1.91 O ATOM 0 H SER A 97 8.241 8.574 8.609 1.00 0.75 H new ATOM 0 HA SER A 97 10.844 9.732 7.795 1.00 0.84 H new ATOM 0 HB2 SER A 97 10.894 9.426 10.216 1.00 0.97 H new ATOM 0 HB3 SER A 97 10.287 7.789 10.057 1.00 0.97 H new ATOM 0 HG SER A 97 12.564 7.746 10.218 1.00 1.91 H new ATOM 1562 N PHE A 98 11.459 7.347 6.871 1.00 0.59 N ATOM 1563 CA PHE A 98 11.756 6.138 6.129 1.00 0.56 C ATOM 1564 C PHE A 98 12.059 4.974 7.079 1.00 0.53 C ATOM 1565 O PHE A 98 11.998 3.822 6.655 1.00 0.52 O ATOM 1566 CB PHE A 98 12.921 6.435 5.187 1.00 0.64 C ATOM 1567 CG PHE A 98 12.524 7.408 4.083 1.00 0.65 C ATOM 1568 CD1 PHE A 98 12.551 8.793 4.346 1.00 2.07 C ATOM 1569 CD2 PHE A 98 11.786 6.930 2.983 1.00 1.67 C ATOM 1570 CE1 PHE A 98 11.742 9.671 3.602 1.00 2.11 C ATOM 1571 CE2 PHE A 98 11.014 7.816 2.209 1.00 1.77 C ATOM 1572 CZ PHE A 98 10.947 9.176 2.555 1.00 0.98 C ATOM 0 H PHE A 98 12.293 7.900 7.070 1.00 0.59 H new ATOM 0 HA PHE A 98 10.892 5.830 5.540 1.00 0.56 H new ATOM 0 HB2 PHE A 98 13.752 6.851 5.757 1.00 0.64 H new ATOM 0 HB3 PHE A 98 13.274 5.505 4.742 1.00 0.64 H new ATOM 0 HD1 PHE A 98 13.195 9.181 5.121 1.00 2.07 H new ATOM 0 HD2 PHE A 98 11.813 5.880 2.733 1.00 1.67 H new ATOM 0 HE1 PHE A 98 11.732 10.725 3.836 1.00 2.11 H new ATOM 0 HE2 PHE A 98 10.473 7.450 1.349 1.00 1.77 H new ATOM 0 HZ PHE A 98 10.286 9.839 2.017 1.00 0.98 H new ATOM 1582 N ASP A 99 12.348 5.306 8.349 1.00 0.64 N ATOM 1583 CA ASP A 99 12.509 4.496 9.548 1.00 0.78 C ATOM 1584 C ASP A 99 12.505 2.997 9.276 1.00 0.59 C ATOM 1585 O ASP A 99 13.510 2.306 9.420 1.00 0.80 O ATOM 1586 CB ASP A 99 11.339 4.847 10.488 1.00 1.09 C ATOM 1587 CG ASP A 99 11.671 5.725 11.682 1.00 1.74 C ATOM 1588 OD1 ASP A 99 12.509 6.637 11.518 1.00 3.14 O ATOM 1589 OD2 ASP A 99 11.015 5.491 12.723 1.00 2.34 O ATOM 0 H ASP A 99 12.492 6.289 8.578 1.00 0.64 H new ATOM 0 HA ASP A 99 13.482 4.719 9.986 1.00 0.78 H new ATOM 0 HB2 ASP A 99 10.568 5.346 9.901 1.00 1.09 H new ATOM 0 HB3 ASP A 99 10.907 3.917 10.858 1.00 1.09 H new ATOM 1594 N ASN A 100 11.311 2.512 8.952 1.00 0.40 N ATOM 1595 CA ASN A 100 11.001 1.114 8.745 1.00 0.40 C ATOM 1596 C ASN A 100 9.805 1.066 7.797 1.00 0.38 C ATOM 1597 O ASN A 100 8.788 0.431 8.075 1.00 0.54 O ATOM 1598 CB ASN A 100 10.693 0.539 10.127 1.00 0.51 C ATOM 1599 CG ASN A 100 10.563 -0.970 10.125 1.00 0.79 C ATOM 1600 OD1 ASN A 100 11.566 -1.678 10.103 1.00 1.62 O ATOM 1601 ND2 ASN A 100 9.340 -1.473 10.203 1.00 0.60 N ATOM 0 H ASN A 100 10.500 3.116 8.822 1.00 0.40 H new ATOM 0 HA ASN A 100 11.806 0.530 8.299 1.00 0.40 H new ATOM 0 HB2 ASN A 100 11.483 0.829 10.819 1.00 0.51 H new ATOM 0 HB3 ASN A 100 9.767 0.977 10.499 1.00 0.51 H new ATOM 0 HD21 ASN A 100 9.206 -2.483 10.247 1.00 0.60 H new ATOM 0 HD22 ASN A 100 8.532 -0.850 10.219 1.00 0.60 H new ATOM 1608 N TRP A 101 9.959 1.773 6.675 1.00 0.33 N ATOM 1609 CA TRP A 101 8.899 2.100 5.738 1.00 0.33 C ATOM 1610 C TRP A 101 9.445 1.918 4.319 1.00 0.35 C ATOM 1611 O TRP A 101 10.259 2.716 3.851 1.00 0.43 O ATOM 1612 CB TRP A 101 8.427 3.538 6.034 1.00 0.42 C ATOM 1613 CG TRP A 101 7.179 4.040 5.365 1.00 0.45 C ATOM 1614 CD1 TRP A 101 6.650 3.572 4.210 1.00 0.48 C ATOM 1615 CD2 TRP A 101 6.288 5.122 5.798 1.00 0.51 C ATOM 1616 NE1 TRP A 101 5.524 4.289 3.888 1.00 0.58 N ATOM 1617 CE2 TRP A 101 5.262 5.270 4.817 1.00 0.61 C ATOM 1618 CE3 TRP A 101 6.235 6.008 6.903 1.00 0.56 C ATOM 1619 CZ2 TRP A 101 4.277 6.263 4.897 1.00 0.75 C ATOM 1620 CZ3 TRP A 101 5.183 6.932 7.044 1.00 0.64 C ATOM 1621 CH2 TRP A 101 4.248 7.111 6.015 1.00 0.76 C ATOM 0 H TRP A 101 10.865 2.145 6.389 1.00 0.33 H new ATOM 0 HA TRP A 101 8.032 1.447 5.837 1.00 0.33 H new ATOM 0 HB2 TRP A 101 8.282 3.623 7.111 1.00 0.42 H new ATOM 0 HB3 TRP A 101 9.240 4.214 5.768 1.00 0.42 H new ATOM 0 HD1 TRP A 101 7.053 2.756 3.628 1.00 0.48 H new ATOM 0 HE1 TRP A 101 4.952 4.116 3.062 1.00 0.58 H new ATOM 0 HE3 TRP A 101 7.015 5.973 7.649 1.00 0.56 H new ATOM 0 HZ2 TRP A 101 3.548 6.375 4.108 1.00 0.75 H new ATOM 0 HZ3 TRP A 101 5.095 7.508 7.953 1.00 0.64 H new ATOM 0 HH2 TRP A 101 3.510 7.897 6.082 1.00 0.76 H new ATOM 1632 N ASP A 102 8.992 0.867 3.630 1.00 0.34 N ATOM 1633 CA ASP A 102 9.515 0.465 2.329 1.00 0.38 C ATOM 1634 C ASP A 102 8.589 1.040 1.254 1.00 0.37 C ATOM 1635 O ASP A 102 7.620 0.409 0.831 1.00 0.42 O ATOM 1636 CB ASP A 102 9.605 -1.076 2.241 1.00 0.44 C ATOM 1637 CG ASP A 102 10.965 -1.685 2.572 1.00 0.57 C ATOM 1638 OD1 ASP A 102 11.966 -1.164 2.029 1.00 1.51 O ATOM 1639 OD2 ASP A 102 10.983 -2.706 3.304 1.00 1.55 O ATOM 0 H ASP A 102 8.241 0.265 3.968 1.00 0.34 H new ATOM 0 HA ASP A 102 10.524 0.850 2.181 1.00 0.38 H new ATOM 0 HB2 ASP A 102 8.863 -1.503 2.916 1.00 0.44 H new ATOM 0 HB3 ASP A 102 9.329 -1.380 1.231 1.00 0.44 H new ATOM 1644 N PHE A 103 8.885 2.251 0.779 1.00 0.40 N ATOM 1645 CA PHE A 103 8.142 2.822 -0.333 1.00 0.42 C ATOM 1646 C PHE A 103 8.628 2.146 -1.619 1.00 0.44 C ATOM 1647 O PHE A 103 9.806 2.282 -1.950 1.00 0.53 O ATOM 1648 CB PHE A 103 8.350 4.335 -0.410 1.00 0.48 C ATOM 1649 CG PHE A 103 7.659 5.141 0.674 1.00 0.53 C ATOM 1650 CD1 PHE A 103 6.354 5.614 0.449 1.00 1.52 C ATOM 1651 CD2 PHE A 103 8.342 5.519 1.846 1.00 2.02 C ATOM 1652 CE1 PHE A 103 5.783 6.559 1.317 1.00 1.49 C ATOM 1653 CE2 PHE A 103 7.776 6.475 2.710 1.00 2.16 C ATOM 1654 CZ PHE A 103 6.514 7.029 2.421 1.00 0.87 C ATOM 0 H PHE A 103 9.627 2.846 1.146 1.00 0.40 H new ATOM 0 HA PHE A 103 7.075 2.650 -0.195 1.00 0.42 H new ATOM 0 HB2 PHE A 103 9.420 4.541 -0.367 1.00 0.48 H new ATOM 0 HB3 PHE A 103 7.997 4.685 -1.380 1.00 0.48 H new ATOM 0 HD1 PHE A 103 5.788 5.249 -0.395 1.00 1.52 H new ATOM 0 HD2 PHE A 103 9.298 5.076 2.081 1.00 2.02 H new ATOM 0 HE1 PHE A 103 4.783 6.924 1.136 1.00 1.49 H new ATOM 0 HE2 PHE A 103 8.310 6.784 3.596 1.00 2.16 H new ATOM 0 HZ PHE A 103 6.110 7.812 3.045 1.00 0.87 H new ATOM 1664 N LEU A 104 7.754 1.398 -2.306 1.00 0.44 N ATOM 1665 CA LEU A 104 8.115 0.543 -3.435 1.00 0.45 C ATOM 1666 C LEU A 104 7.791 1.166 -4.788 1.00 0.46 C ATOM 1667 O LEU A 104 6.825 1.913 -4.925 1.00 0.59 O ATOM 1668 CB LEU A 104 7.461 -0.838 -3.330 1.00 0.47 C ATOM 1669 CG LEU A 104 7.750 -1.565 -2.011 1.00 0.44 C ATOM 1670 CD1 LEU A 104 7.276 -3.011 -2.141 1.00 0.43 C ATOM 1671 CD2 LEU A 104 9.237 -1.594 -1.662 1.00 0.47 C ATOM 0 H LEU A 104 6.759 1.373 -2.085 1.00 0.44 H new ATOM 0 HA LEU A 104 9.198 0.431 -3.378 1.00 0.45 H new ATOM 0 HB2 LEU A 104 6.383 -0.728 -3.444 1.00 0.47 H new ATOM 0 HB3 LEU A 104 7.807 -1.457 -4.158 1.00 0.47 H new ATOM 0 HG LEU A 104 7.228 -1.024 -1.222 1.00 0.44 H new ATOM 0 HD11 LEU A 104 7.474 -3.544 -1.211 1.00 0.43 H new ATOM 0 HD12 LEU A 104 6.206 -3.026 -2.347 1.00 0.43 H new ATOM 0 HD13 LEU A 104 7.810 -3.497 -2.958 1.00 0.43 H new ATOM 0 HD21 LEU A 104 9.379 -2.121 -0.719 1.00 0.47 H new ATOM 0 HD22 LEU A 104 9.786 -2.108 -2.451 1.00 0.47 H new ATOM 0 HD23 LEU A 104 9.608 -0.574 -1.567 1.00 0.47 H new ATOM 1683 N THR A 105 8.579 0.811 -5.807 1.00 0.38 N ATOM 1684 CA THR A 105 8.282 1.176 -7.177 1.00 0.40 C ATOM 1685 C THR A 105 7.050 0.391 -7.638 1.00 0.53 C ATOM 1686 O THR A 105 5.980 0.957 -7.835 1.00 0.71 O ATOM 1687 CB THR A 105 9.510 0.906 -8.063 1.00 0.46 C ATOM 1688 OG1 THR A 105 9.899 -0.455 -7.971 1.00 0.56 O ATOM 1689 CG2 THR A 105 10.690 1.791 -7.649 1.00 0.59 C ATOM 0 H THR A 105 9.434 0.266 -5.697 1.00 0.38 H new ATOM 0 HA THR A 105 8.057 2.240 -7.255 1.00 0.40 H new ATOM 0 HB THR A 105 9.232 1.139 -9.091 1.00 0.46 H new ATOM 0 HG1 THR A 105 10.369 -0.604 -7.124 1.00 0.56 H new ATOM 0 HG21 THR A 105 11.545 1.581 -8.291 1.00 0.59 H new ATOM 0 HG22 THR A 105 10.411 2.840 -7.749 1.00 0.59 H new ATOM 0 HG23 THR A 105 10.955 1.583 -6.612 1.00 0.59 H new ATOM 1697 N GLY A 106 7.221 -0.922 -7.809 1.00 0.72 N ATOM 1698 CA GLY A 106 6.229 -1.811 -8.406 1.00 1.02 C ATOM 1699 C GLY A 106 6.391 -1.914 -9.926 1.00 1.08 C ATOM 1700 O GLY A 106 5.654 -2.653 -10.575 1.00 1.39 O ATOM 0 H GLY A 106 8.074 -1.405 -7.529 1.00 0.72 H new ATOM 0 HA2 GLY A 106 6.319 -2.803 -7.964 1.00 1.02 H new ATOM 0 HA3 GLY A 106 5.229 -1.447 -8.172 1.00 1.02 H new ATOM 1704 N TYR A 107 7.382 -1.206 -10.482 1.00 1.01 N ATOM 1705 CA TYR A 107 7.693 -1.144 -11.893 1.00 1.20 C ATOM 1706 C TYR A 107 6.504 -0.705 -12.744 1.00 1.13 C ATOM 1707 O TYR A 107 5.508 -0.190 -12.236 1.00 1.38 O ATOM 1708 CB TYR A 107 8.355 -2.460 -12.329 1.00 1.64 C ATOM 1709 CG TYR A 107 9.821 -2.316 -12.672 1.00 2.10 C ATOM 1710 CD1 TYR A 107 10.784 -2.391 -11.650 1.00 3.52 C ATOM 1711 CD2 TYR A 107 10.222 -2.043 -13.994 1.00 2.28 C ATOM 1712 CE1 TYR A 107 12.139 -2.174 -11.945 1.00 4.28 C ATOM 1713 CE2 TYR A 107 11.578 -1.803 -14.283 1.00 2.68 C ATOM 1714 CZ TYR A 107 12.536 -1.873 -13.258 1.00 3.52 C ATOM 1715 OH TYR A 107 13.846 -1.620 -13.532 1.00 4.30 O ATOM 0 H TYR A 107 8.014 -0.636 -9.920 1.00 1.01 H new ATOM 0 HA TYR A 107 8.422 -0.352 -12.067 1.00 1.20 H new ATOM 0 HB2 TYR A 107 8.248 -3.193 -11.530 1.00 1.64 H new ATOM 0 HB3 TYR A 107 7.825 -2.854 -13.196 1.00 1.64 H new ATOM 0 HD1 TYR A 107 10.481 -2.616 -10.638 1.00 3.52 H new ATOM 0 HD2 TYR A 107 9.489 -2.018 -14.786 1.00 2.28 H new ATOM 0 HE1 TYR A 107 12.878 -2.239 -11.160 1.00 4.28 H new ATOM 0 HE2 TYR A 107 11.882 -1.565 -15.292 1.00 2.68 H new ATOM 0 HH TYR A 107 13.950 -1.431 -14.488 1.00 4.30 H new ATOM 1725 N SER A 108 6.669 -0.805 -14.060 1.00 1.01 N ATOM 1726 CA SER A 108 5.746 -0.266 -15.033 1.00 0.98 C ATOM 1727 C SER A 108 4.334 -0.782 -14.796 1.00 0.81 C ATOM 1728 O SER A 108 4.130 -1.838 -14.209 1.00 0.88 O ATOM 1729 CB SER A 108 6.267 -0.583 -16.438 1.00 1.24 C ATOM 1730 OG SER A 108 7.033 -1.775 -16.400 1.00 2.21 O ATOM 0 H SER A 108 7.470 -1.276 -14.481 1.00 1.01 H new ATOM 0 HA SER A 108 5.686 0.817 -14.929 1.00 0.98 H new ATOM 0 HB2 SER A 108 5.432 -0.696 -17.130 1.00 1.24 H new ATOM 0 HB3 SER A 108 6.877 0.242 -16.806 1.00 1.24 H new ATOM 0 HG SER A 108 7.365 -1.979 -17.299 1.00 2.21 H new ATOM 1736 N GLN A 109 3.336 -0.035 -15.247 1.00 0.86 N ATOM 1737 CA GLN A 109 1.948 -0.312 -14.929 1.00 1.03 C ATOM 1738 C GLN A 109 1.560 -1.709 -15.408 1.00 1.15 C ATOM 1739 O GLN A 109 0.747 -2.365 -14.774 1.00 1.39 O ATOM 1740 CB GLN A 109 1.011 0.772 -15.463 1.00 1.50 C ATOM 1741 CG GLN A 109 1.123 2.093 -14.696 1.00 1.94 C ATOM 1742 CD GLN A 109 2.322 2.902 -15.149 1.00 2.24 C ATOM 1743 OE1 GLN A 109 2.236 3.624 -16.135 1.00 3.48 O ATOM 1744 NE2 GLN A 109 3.450 2.737 -14.466 1.00 2.53 N ATOM 0 H GLN A 109 3.469 0.781 -15.844 1.00 0.86 H new ATOM 0 HA GLN A 109 1.837 -0.294 -13.845 1.00 1.03 H new ATOM 0 HB2 GLN A 109 1.233 0.950 -16.515 1.00 1.50 H new ATOM 0 HB3 GLN A 109 -0.017 0.414 -15.410 1.00 1.50 H new ATOM 0 HG2 GLN A 109 0.214 2.677 -14.841 1.00 1.94 H new ATOM 0 HG3 GLN A 109 1.204 1.889 -13.628 1.00 1.94 H new ATOM 0 HE21 GLN A 109 3.468 2.124 -13.651 1.00 2.53 H new ATOM 0 HE22 GLN A 109 4.298 3.224 -14.757 1.00 2.53 H new ATOM 1753 N SER A 110 2.153 -2.190 -16.501 1.00 1.21 N ATOM 1754 CA SER A 110 1.974 -3.569 -16.937 1.00 1.52 C ATOM 1755 C SER A 110 2.473 -4.594 -15.903 1.00 1.39 C ATOM 1756 O SER A 110 1.864 -5.648 -15.746 1.00 1.50 O ATOM 1757 CB SER A 110 2.630 -3.754 -18.304 1.00 1.89 C ATOM 1758 OG SER A 110 2.097 -2.797 -19.210 1.00 2.41 O ATOM 0 H SER A 110 2.765 -1.638 -17.102 1.00 1.21 H new ATOM 0 HA SER A 110 0.905 -3.763 -17.030 1.00 1.52 H new ATOM 0 HB2 SER A 110 3.710 -3.633 -18.222 1.00 1.89 H new ATOM 0 HB3 SER A 110 2.449 -4.763 -18.674 1.00 1.89 H new ATOM 0 HG SER A 110 2.516 -2.910 -20.089 1.00 2.41 H new ATOM 1764 N GLU A 111 3.568 -4.298 -15.200 1.00 1.24 N ATOM 1765 CA GLU A 111 4.037 -5.092 -14.072 1.00 1.25 C ATOM 1766 C GLU A 111 3.094 -4.906 -12.877 1.00 1.15 C ATOM 1767 O GLU A 111 2.609 -5.876 -12.291 1.00 1.30 O ATOM 1768 CB GLU A 111 5.493 -4.708 -13.750 1.00 1.20 C ATOM 1769 CG GLU A 111 6.446 -5.435 -14.713 1.00 1.99 C ATOM 1770 CD GLU A 111 7.912 -5.196 -14.375 1.00 2.53 C ATOM 1771 OE1 GLU A 111 8.301 -5.574 -13.250 1.00 3.11 O ATOM 1772 OE2 GLU A 111 8.615 -4.641 -15.245 1.00 3.65 O ATOM 0 H GLU A 111 4.158 -3.491 -15.403 1.00 1.24 H new ATOM 0 HA GLU A 111 4.027 -6.153 -14.320 1.00 1.25 H new ATOM 0 HB2 GLU A 111 5.623 -3.630 -13.840 1.00 1.20 H new ATOM 0 HB3 GLU A 111 5.730 -4.973 -12.720 1.00 1.20 H new ATOM 0 HG2 GLU A 111 6.240 -6.505 -14.684 1.00 1.99 H new ATOM 0 HG3 GLU A 111 6.252 -5.100 -15.732 1.00 1.99 H new ATOM 1779 N ILE A 112 2.812 -3.650 -12.529 1.00 1.04 N ATOM 1780 CA ILE A 112 1.932 -3.289 -11.425 1.00 1.18 C ATOM 1781 C ILE A 112 0.543 -3.920 -11.585 1.00 1.16 C ATOM 1782 O ILE A 112 -0.074 -4.245 -10.575 1.00 1.27 O ATOM 1783 CB ILE A 112 1.905 -1.746 -11.241 1.00 1.39 C ATOM 1784 CG1 ILE A 112 2.480 -1.314 -9.882 1.00 1.43 C ATOM 1785 CG2 ILE A 112 0.534 -1.088 -11.472 1.00 1.95 C ATOM 1786 CD1 ILE A 112 1.536 -1.560 -8.705 1.00 1.54 C ATOM 0 H ILE A 112 3.198 -2.842 -13.018 1.00 1.04 H new ATOM 0 HA ILE A 112 2.329 -3.705 -10.499 1.00 1.18 H new ATOM 0 HB ILE A 112 2.552 -1.378 -12.037 1.00 1.39 H new ATOM 0 HG12 ILE A 112 3.412 -1.850 -9.706 1.00 1.43 H new ATOM 0 HG13 ILE A 112 2.725 -0.253 -9.923 1.00 1.43 H new ATOM 0 HG21 ILE A 112 0.617 -0.012 -11.320 1.00 1.95 H new ATOM 0 HG22 ILE A 112 0.202 -1.287 -12.491 1.00 1.95 H new ATOM 0 HG23 ILE A 112 -0.190 -1.499 -10.768 1.00 1.95 H new ATOM 0 HD11 ILE A 112 2.012 -1.230 -7.782 1.00 1.54 H new ATOM 0 HD12 ILE A 112 0.612 -1.002 -8.857 1.00 1.54 H new ATOM 0 HD13 ILE A 112 1.310 -2.624 -8.636 1.00 1.54 H new ATOM 1798 N GLU A 113 0.051 -4.084 -12.822 1.00 1.11 N ATOM 1799 CA GLU A 113 -1.284 -4.566 -13.140 1.00 1.14 C ATOM 1800 C GLU A 113 -1.637 -5.813 -12.336 1.00 1.15 C ATOM 1801 O GLU A 113 -2.386 -5.726 -11.365 1.00 1.12 O ATOM 1802 CB GLU A 113 -1.448 -4.808 -14.654 1.00 1.29 C ATOM 1803 CG GLU A 113 -2.242 -3.677 -15.321 1.00 1.59 C ATOM 1804 CD GLU A 113 -2.344 -3.858 -16.829 1.00 2.08 C ATOM 1805 OE1 GLU A 113 -1.384 -4.381 -17.435 1.00 2.70 O ATOM 1806 OE2 GLU A 113 -3.329 -3.362 -17.410 1.00 3.05 O ATOM 0 H GLU A 113 0.601 -3.874 -13.655 1.00 1.11 H new ATOM 0 HA GLU A 113 -1.988 -3.785 -12.853 1.00 1.14 H new ATOM 0 HB2 GLU A 113 -0.466 -4.888 -15.119 1.00 1.29 H new ATOM 0 HB3 GLU A 113 -1.957 -5.758 -14.819 1.00 1.29 H new ATOM 0 HG2 GLU A 113 -3.244 -3.637 -14.893 1.00 1.59 H new ATOM 0 HG3 GLU A 113 -1.764 -2.722 -15.103 1.00 1.59 H new ATOM 1813 N GLU A 114 -1.119 -6.971 -12.752 1.00 1.29 N ATOM 1814 CA GLU A 114 -1.517 -8.251 -12.192 1.00 1.39 C ATOM 1815 C GLU A 114 -1.402 -8.204 -10.669 1.00 1.29 C ATOM 1816 O GLU A 114 -2.380 -8.451 -9.964 1.00 1.40 O ATOM 1817 CB GLU A 114 -0.709 -9.373 -12.833 1.00 1.53 C ATOM 1818 CG GLU A 114 -1.249 -10.749 -12.429 1.00 1.77 C ATOM 1819 CD GLU A 114 -0.497 -11.885 -13.113 1.00 1.77 C ATOM 1820 OE1 GLU A 114 0.717 -11.705 -13.346 1.00 1.78 O ATOM 1821 OE2 GLU A 114 -1.158 -12.907 -13.394 1.00 2.99 O ATOM 0 H GLU A 114 -0.414 -7.041 -13.485 1.00 1.29 H new ATOM 0 HA GLU A 114 -2.563 -8.460 -12.419 1.00 1.39 H new ATOM 0 HB2 GLU A 114 -0.740 -9.272 -13.918 1.00 1.53 H new ATOM 0 HB3 GLU A 114 0.336 -9.288 -12.534 1.00 1.53 H new ATOM 0 HG2 GLU A 114 -1.173 -10.864 -11.348 1.00 1.77 H new ATOM 0 HG3 GLU A 114 -2.307 -10.811 -12.683 1.00 1.77 H new ATOM 1828 N PHE A 115 -0.220 -7.802 -10.192 1.00 1.15 N ATOM 1829 CA PHE A 115 0.087 -7.599 -8.786 1.00 1.04 C ATOM 1830 C PHE A 115 -1.032 -6.835 -8.068 1.00 1.03 C ATOM 1831 O PHE A 115 -1.698 -7.380 -7.186 1.00 1.09 O ATOM 1832 CB PHE A 115 1.433 -6.864 -8.664 1.00 0.96 C ATOM 1833 CG PHE A 115 1.784 -6.432 -7.252 1.00 0.81 C ATOM 1834 CD1 PHE A 115 1.746 -7.357 -6.191 1.00 1.66 C ATOM 1835 CD2 PHE A 115 2.019 -5.071 -6.978 1.00 2.05 C ATOM 1836 CE1 PHE A 115 1.855 -6.911 -4.863 1.00 1.64 C ATOM 1837 CE2 PHE A 115 2.144 -4.627 -5.652 1.00 2.12 C ATOM 1838 CZ PHE A 115 2.033 -5.542 -4.593 1.00 0.90 C ATOM 0 H PHE A 115 0.573 -7.604 -10.802 1.00 1.15 H new ATOM 0 HA PHE A 115 0.164 -8.571 -8.298 1.00 1.04 H new ATOM 0 HB2 PHE A 115 2.224 -7.514 -9.040 1.00 0.96 H new ATOM 0 HB3 PHE A 115 1.412 -5.983 -9.306 1.00 0.96 H new ATOM 0 HD1 PHE A 115 1.633 -8.411 -6.398 1.00 1.66 H new ATOM 0 HD2 PHE A 115 2.103 -4.366 -7.791 1.00 2.05 H new ATOM 0 HE1 PHE A 115 1.802 -7.619 -4.049 1.00 1.64 H new ATOM 0 HE2 PHE A 115 2.325 -3.582 -5.447 1.00 2.12 H new ATOM 0 HZ PHE A 115 2.084 -5.195 -3.572 1.00 0.90 H new ATOM 1848 N ALA A 116 -1.232 -5.560 -8.406 1.00 1.01 N ATOM 1849 CA ALA A 116 -2.143 -4.699 -7.678 1.00 1.10 C ATOM 1850 C ALA A 116 -3.610 -5.063 -7.914 1.00 1.32 C ATOM 1851 O ALA A 116 -4.453 -4.726 -7.079 1.00 1.50 O ATOM 1852 CB ALA A 116 -1.842 -3.234 -7.975 1.00 1.30 C ATOM 0 H ALA A 116 -0.765 -5.104 -9.190 1.00 1.01 H new ATOM 0 HA ALA A 116 -1.976 -4.860 -6.613 1.00 1.10 H new ATOM 0 HB1 ALA A 116 -2.535 -2.601 -7.421 1.00 1.30 H new ATOM 0 HB2 ALA A 116 -0.820 -3.004 -7.674 1.00 1.30 H new ATOM 0 HB3 ALA A 116 -1.956 -3.048 -9.043 1.00 1.30 H new ATOM 1858 N LEU A 117 -3.936 -5.744 -9.020 1.00 1.38 N ATOM 1859 CA LEU A 117 -5.261 -6.314 -9.239 1.00 1.62 C ATOM 1860 C LEU A 117 -5.507 -7.394 -8.192 1.00 1.71 C ATOM 1861 O LEU A 117 -6.409 -7.270 -7.368 1.00 1.88 O ATOM 1862 CB LEU A 117 -5.374 -6.897 -10.652 1.00 1.72 C ATOM 1863 CG LEU A 117 -6.776 -6.837 -11.279 1.00 1.94 C ATOM 1864 CD1 LEU A 117 -7.842 -7.432 -10.357 1.00 2.22 C ATOM 1865 CD2 LEU A 117 -7.160 -5.414 -11.693 1.00 2.02 C ATOM 0 H LEU A 117 -3.284 -5.913 -9.786 1.00 1.38 H new ATOM 0 HA LEU A 117 -6.015 -5.532 -9.144 1.00 1.62 H new ATOM 0 HB2 LEU A 117 -4.680 -6.365 -11.303 1.00 1.72 H new ATOM 0 HB3 LEU A 117 -5.051 -7.938 -10.624 1.00 1.72 H new ATOM 0 HG LEU A 117 -6.733 -7.448 -12.181 1.00 1.94 H new ATOM 0 HD11 LEU A 117 -8.817 -7.369 -10.840 1.00 2.22 H new ATOM 0 HD12 LEU A 117 -7.605 -8.476 -10.153 1.00 2.22 H new ATOM 0 HD13 LEU A 117 -7.864 -6.875 -9.420 1.00 2.22 H new ATOM 0 HD21 LEU A 117 -8.158 -5.419 -12.131 1.00 2.02 H new ATOM 0 HD22 LEU A 117 -7.152 -4.765 -10.817 1.00 2.02 H new ATOM 0 HD23 LEU A 117 -6.444 -5.043 -12.426 1.00 2.02 H new ATOM 1877 N LYS A 118 -4.668 -8.432 -8.241 1.00 1.64 N ATOM 1878 CA LYS A 118 -4.675 -9.557 -7.313 1.00 1.71 C ATOM 1879 C LYS A 118 -4.789 -9.041 -5.881 1.00 1.70 C ATOM 1880 O LYS A 118 -5.686 -9.441 -5.142 1.00 1.84 O ATOM 1881 CB LYS A 118 -3.393 -10.379 -7.506 1.00 1.70 C ATOM 1882 CG LYS A 118 -3.606 -11.617 -8.387 1.00 1.95 C ATOM 1883 CD LYS A 118 -4.113 -12.786 -7.527 1.00 3.19 C ATOM 1884 CE LYS A 118 -4.031 -14.129 -8.268 1.00 3.66 C ATOM 1885 NZ LYS A 118 -4.036 -15.260 -7.317 1.00 5.31 N ATOM 0 H LYS A 118 -3.942 -8.511 -8.953 1.00 1.64 H new ATOM 0 HA LYS A 118 -5.533 -10.200 -7.510 1.00 1.71 H new ATOM 0 HB2 LYS A 118 -2.626 -9.747 -7.955 1.00 1.70 H new ATOM 0 HB3 LYS A 118 -3.018 -10.692 -6.532 1.00 1.70 H new ATOM 0 HG2 LYS A 118 -4.325 -11.395 -9.175 1.00 1.95 H new ATOM 0 HG3 LYS A 118 -2.672 -11.892 -8.876 1.00 1.95 H new ATOM 0 HD2 LYS A 118 -3.526 -12.842 -6.610 1.00 3.19 H new ATOM 0 HD3 LYS A 118 -5.146 -12.598 -7.233 1.00 3.19 H new ATOM 0 HE2 LYS A 118 -4.873 -14.222 -8.954 1.00 3.66 H new ATOM 0 HE3 LYS A 118 -3.124 -14.161 -8.871 1.00 3.66 H new ATOM 0 HZ1 LYS A 118 -3.878 -16.149 -7.834 1.00 5.31 H new ATOM 0 HZ2 LYS A 118 -3.279 -15.128 -6.616 1.00 5.31 H new ATOM 0 HZ3 LYS A 118 -4.955 -15.301 -6.831 1.00 5.31 H new ATOM 1899 N SER A 119 -3.895 -8.116 -5.526 1.00 1.59 N ATOM 1900 CA SER A 119 -3.915 -7.471 -4.228 1.00 1.69 C ATOM 1901 C SER A 119 -5.279 -6.835 -3.947 1.00 1.68 C ATOM 1902 O SER A 119 -5.938 -7.185 -2.971 1.00 1.75 O ATOM 1903 CB SER A 119 -2.814 -6.404 -4.156 1.00 1.78 C ATOM 1904 OG SER A 119 -1.551 -6.950 -4.483 1.00 1.76 O ATOM 0 H SER A 119 -3.141 -7.799 -6.135 1.00 1.59 H new ATOM 0 HA SER A 119 -3.732 -8.231 -3.468 1.00 1.69 H new ATOM 0 HB2 SER A 119 -3.049 -5.589 -4.840 1.00 1.78 H new ATOM 0 HB3 SER A 119 -2.781 -5.979 -3.153 1.00 1.78 H new ATOM 0 HG SER A 119 -1.479 -7.049 -5.455 1.00 1.76 H new ATOM 1910 N PHE A 120 -5.655 -5.841 -4.759 1.00 1.64 N ATOM 1911 CA PHE A 120 -6.626 -4.820 -4.385 1.00 1.74 C ATOM 1912 C PHE A 120 -7.640 -4.581 -5.484 1.00 1.84 C ATOM 1913 O PHE A 120 -8.827 -4.739 -5.219 1.00 1.98 O ATOM 1914 CB PHE A 120 -5.891 -3.535 -3.967 1.00 1.66 C ATOM 1915 CG PHE A 120 -4.824 -3.720 -2.895 1.00 1.51 C ATOM 1916 CD1 PHE A 120 -5.044 -4.592 -1.813 1.00 2.36 C ATOM 1917 CD2 PHE A 120 -3.598 -3.034 -2.980 1.00 2.57 C ATOM 1918 CE1 PHE A 120 -4.004 -4.892 -0.919 1.00 2.26 C ATOM 1919 CE2 PHE A 120 -2.613 -3.225 -1.993 1.00 2.53 C ATOM 1920 CZ PHE A 120 -2.796 -4.186 -0.988 1.00 1.31 C ATOM 0 H PHE A 120 -5.287 -5.726 -5.703 1.00 1.64 H new ATOM 0 HA PHE A 120 -7.198 -5.173 -3.527 1.00 1.74 H new ATOM 0 HB2 PHE A 120 -5.425 -3.098 -4.850 1.00 1.66 H new ATOM 0 HB3 PHE A 120 -6.626 -2.816 -3.606 1.00 1.66 H new ATOM 0 HD1 PHE A 120 -6.019 -5.033 -1.669 1.00 2.36 H new ATOM 0 HD2 PHE A 120 -3.413 -2.360 -3.804 1.00 2.57 H new ATOM 0 HE1 PHE A 120 -4.135 -5.667 -0.178 1.00 2.26 H new ATOM 0 HE2 PHE A 120 -1.712 -2.629 -2.010 1.00 2.53 H new ATOM 0 HZ PHE A 120 -2.011 -4.380 -0.272 1.00 1.31 H new ATOM 1930 N LYS A 121 -7.194 -4.254 -6.695 1.00 1.90 N ATOM 1931 CA LYS A 121 -7.753 -3.248 -7.593 1.00 2.22 C ATOM 1932 C LYS A 121 -7.108 -1.874 -7.337 1.00 2.32 C ATOM 1933 O LYS A 121 -7.764 -0.871 -7.069 1.00 2.88 O ATOM 1934 CB LYS A 121 -9.295 -3.312 -7.710 1.00 2.54 C ATOM 1935 CG LYS A 121 -10.192 -2.261 -7.032 1.00 2.79 C ATOM 1936 CD LYS A 121 -10.025 -2.009 -5.533 1.00 2.70 C ATOM 1937 CE LYS A 121 -11.095 -1.069 -4.959 1.00 2.81 C ATOM 1938 NZ LYS A 121 -11.120 0.270 -5.594 1.00 3.40 N ATOM 0 H LYS A 121 -6.380 -4.715 -7.101 1.00 1.90 H new ATOM 0 HA LYS A 121 -7.471 -3.484 -8.619 1.00 2.22 H new ATOM 0 HB2 LYS A 121 -9.534 -3.296 -8.773 1.00 2.54 H new ATOM 0 HB3 LYS A 121 -9.603 -4.286 -7.329 1.00 2.54 H new ATOM 0 HG2 LYS A 121 -10.036 -1.312 -7.546 1.00 2.79 H new ATOM 0 HG3 LYS A 121 -11.229 -2.550 -7.205 1.00 2.79 H new ATOM 0 HD2 LYS A 121 -10.064 -2.961 -5.004 1.00 2.70 H new ATOM 0 HD3 LYS A 121 -9.039 -1.583 -5.350 1.00 2.70 H new ATOM 0 HE2 LYS A 121 -12.074 -1.534 -5.076 1.00 2.81 H new ATOM 0 HE3 LYS A 121 -10.924 -0.950 -3.889 1.00 2.81 H new ATOM 0 HZ1 LYS A 121 -11.866 0.848 -5.156 1.00 3.40 H new ATOM 0 HZ2 LYS A 121 -10.199 0.734 -5.461 1.00 3.40 H new ATOM 0 HZ3 LYS A 121 -11.313 0.168 -6.611 1.00 3.40 H new ATOM 1952 N ALA A 122 -5.771 -1.826 -7.412 1.00 1.95 N ATOM 1953 CA ALA A 122 -5.011 -0.580 -7.310 1.00 2.12 C ATOM 1954 C ALA A 122 -4.015 -0.457 -8.464 1.00 2.03 C ATOM 1955 O ALA A 122 -2.838 -0.162 -8.260 1.00 3.07 O ATOM 1956 CB ALA A 122 -4.323 -0.495 -5.942 1.00 2.11 C ATOM 0 H ALA A 122 -5.189 -2.653 -7.545 1.00 1.95 H new ATOM 0 HA ALA A 122 -5.696 0.264 -7.390 1.00 2.12 H new ATOM 0 HB1 ALA A 122 -3.760 0.436 -5.875 1.00 2.11 H new ATOM 0 HB2 ALA A 122 -5.076 -0.521 -5.154 1.00 2.11 H new ATOM 0 HB3 ALA A 122 -3.644 -1.339 -5.823 1.00 2.11 H new ATOM 1962 N ILE A 123 -4.501 -0.697 -9.680 1.00 1.41 N ATOM 1963 CA ILE A 123 -3.741 -0.541 -10.910 1.00 1.26 C ATOM 1964 C ILE A 123 -4.034 0.838 -11.502 1.00 1.35 C ATOM 1965 O ILE A 123 -5.040 1.443 -11.134 1.00 2.30 O ATOM 1966 CB ILE A 123 -4.130 -1.652 -11.889 1.00 2.35 C ATOM 1967 CG1 ILE A 123 -5.610 -1.560 -12.295 1.00 3.90 C ATOM 1968 CG2 ILE A 123 -3.892 -3.029 -11.255 1.00 3.45 C ATOM 1969 CD1 ILE A 123 -5.789 -2.198 -13.659 1.00 4.94 C ATOM 0 H ILE A 123 -5.458 -1.013 -9.837 1.00 1.41 H new ATOM 0 HA ILE A 123 -2.672 -0.617 -10.710 1.00 1.26 H new ATOM 0 HB ILE A 123 -3.508 -1.526 -12.775 1.00 2.35 H new ATOM 0 HG12 ILE A 123 -6.234 -2.065 -11.558 1.00 3.90 H new ATOM 0 HG13 ILE A 123 -5.929 -0.518 -12.322 1.00 3.90 H new ATOM 0 HG21 ILE A 123 -4.173 -3.809 -11.963 1.00 3.45 H new ATOM 0 HG22 ILE A 123 -2.838 -3.134 -10.999 1.00 3.45 H new ATOM 0 HG23 ILE A 123 -4.496 -3.123 -10.352 1.00 3.45 H new ATOM 0 HD11 ILE A 123 -6.836 -2.137 -13.955 1.00 4.94 H new ATOM 0 HD12 ILE A 123 -5.174 -1.672 -14.390 1.00 4.94 H new ATOM 0 HD13 ILE A 123 -5.485 -3.244 -13.614 1.00 4.94 H new ATOM 2201 N SER A 138 -5.862 3.842 1.203 1.00 1.18 N ATOM 2202 CA SER A 138 -6.314 2.855 2.167 1.00 1.01 C ATOM 2203 C SER A 138 -5.185 1.905 2.573 1.00 0.85 C ATOM 2204 O SER A 138 -4.320 1.561 1.770 1.00 0.98 O ATOM 2205 CB SER A 138 -7.489 2.070 1.597 1.00 1.08 C ATOM 2206 OG SER A 138 -8.370 2.954 0.926 1.00 1.44 O ATOM 0 HA SER A 138 -6.636 3.384 3.064 1.00 1.01 H new ATOM 0 HB2 SER A 138 -7.129 1.306 0.908 1.00 1.08 H new ATOM 0 HB3 SER A 138 -8.017 1.553 2.398 1.00 1.08 H new ATOM 0 HG SER A 138 -8.967 2.440 0.343 1.00 1.44 H new ATOM 2212 N PHE A 139 -5.256 1.463 3.824 1.00 0.77 N ATOM 2213 CA PHE A 139 -4.388 0.486 4.451 1.00 0.65 C ATOM 2214 C PHE A 139 -4.798 -0.932 4.055 1.00 0.56 C ATOM 2215 O PHE A 139 -5.982 -1.200 3.850 1.00 0.61 O ATOM 2216 CB PHE A 139 -4.548 0.599 5.973 1.00 0.75 C ATOM 2217 CG PHE A 139 -3.370 1.246 6.654 1.00 0.84 C ATOM 2218 CD1 PHE A 139 -2.129 0.582 6.640 1.00 2.48 C ATOM 2219 CD2 PHE A 139 -3.478 2.532 7.210 1.00 1.60 C ATOM 2220 CE1 PHE A 139 -1.004 1.189 7.214 1.00 2.68 C ATOM 2221 CE2 PHE A 139 -2.353 3.128 7.804 1.00 1.62 C ATOM 2222 CZ PHE A 139 -1.130 2.438 7.837 1.00 1.35 C ATOM 0 H PHE A 139 -5.972 1.804 4.466 1.00 0.77 H new ATOM 0 HA PHE A 139 -3.363 0.676 4.134 1.00 0.65 H new ATOM 0 HB2 PHE A 139 -5.447 1.175 6.194 1.00 0.75 H new ATOM 0 HB3 PHE A 139 -4.697 -0.397 6.390 1.00 0.75 H new ATOM 0 HD1 PHE A 139 -2.044 -0.395 6.187 1.00 2.48 H new ATOM 0 HD2 PHE A 139 -4.420 3.059 7.181 1.00 1.60 H new ATOM 0 HE1 PHE A 139 -0.044 0.696 7.176 1.00 2.68 H new ATOM 0 HE2 PHE A 139 -2.428 4.116 8.235 1.00 1.62 H new ATOM 0 HZ PHE A 139 -0.282 2.872 8.345 1.00 1.35 H new ATOM 2232 N TYR A 140 -3.824 -1.846 4.050 1.00 0.51 N ATOM 2233 CA TYR A 140 -4.012 -3.276 3.828 1.00 0.51 C ATOM 2234 C TYR A 140 -3.028 -4.083 4.693 1.00 0.67 C ATOM 2235 O TYR A 140 -1.835 -4.101 4.412 1.00 1.13 O ATOM 2236 CB TYR A 140 -3.837 -3.563 2.333 1.00 0.57 C ATOM 2237 CG TYR A 140 -4.995 -3.083 1.474 1.00 0.65 C ATOM 2238 CD1 TYR A 140 -6.097 -3.931 1.276 1.00 1.88 C ATOM 2239 CD2 TYR A 140 -4.971 -1.824 0.847 1.00 2.05 C ATOM 2240 CE1 TYR A 140 -7.137 -3.565 0.410 1.00 1.99 C ATOM 2241 CE2 TYR A 140 -6.023 -1.450 -0.010 1.00 2.29 C ATOM 2242 CZ TYR A 140 -7.073 -2.345 -0.272 1.00 1.39 C ATOM 2243 OH TYR A 140 -7.988 -2.073 -1.244 1.00 1.90 O ATOM 0 H TYR A 140 -2.847 -1.597 4.207 1.00 0.51 H new ATOM 0 HA TYR A 140 -5.015 -3.581 4.125 1.00 0.51 H new ATOM 0 HB2 TYR A 140 -2.919 -3.088 1.987 1.00 0.57 H new ATOM 0 HB3 TYR A 140 -3.713 -4.637 2.191 1.00 0.57 H new ATOM 0 HD1 TYR A 140 -6.144 -4.876 1.797 1.00 1.88 H new ATOM 0 HD2 TYR A 140 -4.148 -1.147 1.023 1.00 2.05 H new ATOM 0 HE1 TYR A 140 -7.983 -4.221 0.270 1.00 1.99 H new ATOM 0 HE2 TYR A 140 -6.023 -0.472 -0.468 1.00 2.29 H new ATOM 0 HH TYR A 140 -8.339 -1.167 -1.118 1.00 1.90 H new ATOM 2253 N LEU A 141 -3.499 -4.753 5.752 1.00 0.42 N ATOM 2254 CA LEU A 141 -2.681 -5.599 6.623 1.00 0.41 C ATOM 2255 C LEU A 141 -2.528 -6.977 5.995 1.00 0.39 C ATOM 2256 O LEU A 141 -3.489 -7.752 5.907 1.00 0.40 O ATOM 2257 CB LEU A 141 -3.301 -5.668 8.026 1.00 0.42 C ATOM 2258 CG LEU A 141 -2.540 -6.569 9.027 1.00 0.41 C ATOM 2259 CD1 LEU A 141 -2.767 -6.019 10.441 1.00 0.76 C ATOM 2260 CD2 LEU A 141 -3.032 -8.025 9.007 1.00 0.73 C ATOM 0 H LEU A 141 -4.480 -4.720 6.031 1.00 0.42 H new ATOM 0 HA LEU A 141 -1.685 -5.169 6.731 1.00 0.41 H new ATOM 0 HB2 LEU A 141 -3.354 -4.659 8.435 1.00 0.42 H new ATOM 0 HB3 LEU A 141 -4.325 -6.031 7.938 1.00 0.42 H new ATOM 0 HG LEU A 141 -1.488 -6.562 8.740 1.00 0.41 H new ATOM 0 HD11 LEU A 141 -2.238 -6.641 11.163 1.00 0.76 H new ATOM 0 HD12 LEU A 141 -2.392 -4.997 10.499 1.00 0.76 H new ATOM 0 HD13 LEU A 141 -3.833 -6.027 10.668 1.00 0.76 H new ATOM 0 HD21 LEU A 141 -2.463 -8.611 9.729 1.00 0.73 H new ATOM 0 HD22 LEU A 141 -4.090 -8.055 9.268 1.00 0.73 H new ATOM 0 HD23 LEU A 141 -2.893 -8.442 8.010 1.00 0.73 H new ATOM 2272 N VAL A 142 -1.304 -7.282 5.564 1.00 0.40 N ATOM 2273 CA VAL A 142 -1.022 -8.511 4.864 1.00 0.42 C ATOM 2274 C VAL A 142 -0.761 -9.596 5.902 1.00 0.53 C ATOM 2275 O VAL A 142 -0.118 -9.345 6.922 1.00 0.78 O ATOM 2276 CB VAL A 142 0.146 -8.316 3.893 1.00 0.52 C ATOM 2277 CG1 VAL A 142 0.245 -9.537 2.965 1.00 0.56 C ATOM 2278 CG2 VAL A 142 -0.047 -7.050 3.046 1.00 0.60 C ATOM 0 H VAL A 142 -0.491 -6.680 5.695 1.00 0.40 H new ATOM 0 HA VAL A 142 -1.870 -8.818 4.252 1.00 0.42 H new ATOM 0 HB VAL A 142 1.063 -8.208 4.473 1.00 0.52 H new ATOM 0 HG11 VAL A 142 1.076 -9.401 2.272 1.00 0.56 H new ATOM 0 HG12 VAL A 142 0.412 -10.434 3.561 1.00 0.56 H new ATOM 0 HG13 VAL A 142 -0.683 -9.643 2.403 1.00 0.56 H new ATOM 0 HG21 VAL A 142 0.797 -6.936 2.365 1.00 0.60 H new ATOM 0 HG22 VAL A 142 -0.969 -7.134 2.471 1.00 0.60 H new ATOM 0 HG23 VAL A 142 -0.106 -6.180 3.700 1.00 0.60 H new ATOM 2288 N GLY A 143 -1.274 -10.806 5.670 1.00 0.60 N ATOM 2289 CA GLY A 143 -0.945 -11.924 6.528 1.00 0.65 C ATOM 2290 C GLY A 143 0.537 -12.284 6.396 1.00 0.42 C ATOM 2291 O GLY A 143 1.232 -11.775 5.515 1.00 0.52 O ATOM 0 H GLY A 143 -1.910 -11.026 4.903 1.00 0.60 H new ATOM 0 HA2 GLY A 143 -1.174 -11.674 7.564 1.00 0.65 H new ATOM 0 HA3 GLY A 143 -1.559 -12.785 6.265 1.00 0.65 H new ATOM 2295 N PRO A 144 1.012 -13.234 7.210 1.00 0.45 N ATOM 2296 CA PRO A 144 2.383 -13.730 7.200 1.00 0.55 C ATOM 2297 C PRO A 144 2.644 -14.638 5.992 1.00 0.66 C ATOM 2298 O PRO A 144 3.347 -15.641 6.103 1.00 1.55 O ATOM 2299 CB PRO A 144 2.509 -14.465 8.540 1.00 0.71 C ATOM 2300 CG PRO A 144 1.104 -15.017 8.772 1.00 0.69 C ATOM 2301 CD PRO A 144 0.217 -13.901 8.223 1.00 0.56 C ATOM 0 HA PRO A 144 3.127 -12.940 7.100 1.00 0.55 H new ATOM 0 HB2 PRO A 144 3.251 -15.262 8.493 1.00 0.71 H new ATOM 0 HB3 PRO A 144 2.814 -13.792 9.341 1.00 0.71 H new ATOM 0 HG2 PRO A 144 0.945 -15.958 8.245 1.00 0.69 H new ATOM 0 HG3 PRO A 144 0.911 -15.206 9.828 1.00 0.69 H new ATOM 0 HD2 PRO A 144 -0.702 -14.304 7.798 1.00 0.56 H new ATOM 0 HD3 PRO A 144 -0.074 -13.208 9.012 1.00 0.56 H new ATOM 2309 N ASP A 145 2.096 -14.289 4.827 1.00 1.49 N ATOM 2310 CA ASP A 145 1.882 -15.204 3.726 1.00 1.25 C ATOM 2311 C ASP A 145 1.893 -14.466 2.387 1.00 1.29 C ATOM 2312 O ASP A 145 2.776 -14.692 1.561 1.00 2.17 O ATOM 2313 CB ASP A 145 0.564 -15.945 3.933 1.00 1.40 C ATOM 2314 CG ASP A 145 0.131 -16.607 2.638 1.00 2.82 C ATOM 2315 OD1 ASP A 145 0.927 -17.431 2.136 1.00 4.03 O ATOM 2316 OD2 ASP A 145 -0.948 -16.204 2.154 1.00 3.96 O ATOM 0 H ASP A 145 1.785 -13.338 4.627 1.00 1.49 H new ATOM 0 HA ASP A 145 2.697 -15.928 3.702 1.00 1.25 H new ATOM 0 HB2 ASP A 145 0.679 -16.696 4.714 1.00 1.40 H new ATOM 0 HB3 ASP A 145 -0.205 -15.249 4.270 1.00 1.40 H new ATOM 2321 N GLY A 146 0.861 -13.664 2.152 1.00 1.03 N ATOM 2322 CA GLY A 146 0.428 -13.309 0.814 1.00 1.29 C ATOM 2323 C GLY A 146 -1.035 -12.884 0.870 1.00 1.05 C ATOM 2324 O GLY A 146 -1.394 -11.811 0.398 1.00 0.90 O ATOM 0 H GLY A 146 0.300 -13.241 2.892 1.00 1.03 H new ATOM 0 HA2 GLY A 146 1.042 -12.499 0.421 1.00 1.29 H new ATOM 0 HA3 GLY A 146 0.550 -14.157 0.140 1.00 1.29 H new ATOM 2328 N LYS A 147 -1.884 -13.681 1.523 1.00 1.30 N ATOM 2329 CA LYS A 147 -3.278 -13.289 1.686 1.00 1.06 C ATOM 2330 C LYS A 147 -3.415 -12.194 2.746 1.00 0.87 C ATOM 2331 O LYS A 147 -2.821 -12.275 3.821 1.00 1.05 O ATOM 2332 CB LYS A 147 -4.199 -14.484 1.906 1.00 1.17 C ATOM 2333 CG LYS A 147 -3.867 -15.250 3.187 1.00 1.28 C ATOM 2334 CD LYS A 147 -4.289 -16.726 3.083 1.00 1.50 C ATOM 2335 CE LYS A 147 -3.478 -17.631 4.020 1.00 2.06 C ATOM 2336 NZ LYS A 147 -3.488 -17.164 5.419 1.00 1.83 N ATOM 0 H LYS A 147 -1.636 -14.580 1.937 1.00 1.30 H new ATOM 0 HA LYS A 147 -3.619 -12.852 0.747 1.00 1.06 H new ATOM 0 HB2 LYS A 147 -5.232 -14.139 1.950 1.00 1.17 H new ATOM 0 HB3 LYS A 147 -4.124 -15.159 1.053 1.00 1.17 H new ATOM 0 HG2 LYS A 147 -2.796 -15.189 3.382 1.00 1.28 H new ATOM 0 HG3 LYS A 147 -4.372 -14.784 4.033 1.00 1.28 H new ATOM 0 HD2 LYS A 147 -5.349 -16.816 3.322 1.00 1.50 H new ATOM 0 HD3 LYS A 147 -4.164 -17.066 2.055 1.00 1.50 H new ATOM 0 HE2 LYS A 147 -3.880 -18.643 3.977 1.00 2.06 H new ATOM 0 HE3 LYS A 147 -2.448 -17.682 3.666 1.00 2.06 H new ATOM 0 HZ1 LYS A 147 -3.057 -17.887 6.030 1.00 1.83 H new ATOM 0 HZ2 LYS A 147 -2.945 -16.280 5.494 1.00 1.83 H new ATOM 0 HZ3 LYS A 147 -4.469 -16.995 5.721 1.00 1.83 H new ATOM 2350 N VAL A 148 -4.181 -11.155 2.415 1.00 0.67 N ATOM 2351 CA VAL A 148 -4.472 -10.009 3.259 1.00 0.64 C ATOM 2352 C VAL A 148 -5.675 -10.338 4.131 1.00 0.58 C ATOM 2353 O VAL A 148 -6.615 -10.968 3.641 1.00 0.58 O ATOM 2354 CB VAL A 148 -4.742 -8.789 2.370 1.00 0.67 C ATOM 2355 CG1 VAL A 148 -4.991 -7.513 3.172 1.00 0.86 C ATOM 2356 CG2 VAL A 148 -3.571 -8.532 1.415 1.00 1.24 C ATOM 0 H VAL A 148 -4.636 -11.092 1.504 1.00 0.67 H new ATOM 0 HA VAL A 148 -3.627 -9.778 3.907 1.00 0.64 H new ATOM 0 HB VAL A 148 -5.645 -9.030 1.810 1.00 0.67 H new ATOM 0 HG11 VAL A 148 -5.176 -6.684 2.489 1.00 0.86 H new ATOM 0 HG12 VAL A 148 -5.859 -7.652 3.817 1.00 0.86 H new ATOM 0 HG13 VAL A 148 -4.116 -7.291 3.783 1.00 0.86 H new ATOM 0 HG21 VAL A 148 -3.790 -7.661 0.797 1.00 1.24 H new ATOM 0 HG22 VAL A 148 -2.664 -8.349 1.992 1.00 1.24 H new ATOM 0 HG23 VAL A 148 -3.425 -9.403 0.776 1.00 1.24 H new ATOM 2366 N LEU A 149 -5.607 -9.957 5.414 1.00 0.57 N ATOM 2367 CA LEU A 149 -6.555 -10.385 6.441 1.00 0.56 C ATOM 2368 C LEU A 149 -7.397 -9.237 6.996 1.00 0.54 C ATOM 2369 O LEU A 149 -8.480 -9.500 7.520 1.00 0.58 O ATOM 2370 CB LEU A 149 -5.818 -11.085 7.591 1.00 0.66 C ATOM 2371 CG LEU A 149 -5.615 -12.590 7.359 1.00 0.76 C ATOM 2372 CD1 LEU A 149 -4.699 -12.879 6.170 1.00 2.19 C ATOM 2373 CD2 LEU A 149 -4.986 -13.193 8.618 1.00 1.38 C ATOM 0 H LEU A 149 -4.881 -9.334 5.768 1.00 0.57 H new ATOM 0 HA LEU A 149 -7.239 -11.081 5.956 1.00 0.56 H new ATOM 0 HB2 LEU A 149 -4.846 -10.612 7.731 1.00 0.66 H new ATOM 0 HB3 LEU A 149 -6.379 -10.940 8.514 1.00 0.66 H new ATOM 0 HG LEU A 149 -6.588 -13.030 7.142 1.00 0.76 H new ATOM 0 HD11 LEU A 149 -4.588 -13.957 6.049 1.00 2.19 H new ATOM 0 HD12 LEU A 149 -5.133 -12.455 5.265 1.00 2.19 H new ATOM 0 HD13 LEU A 149 -3.721 -12.432 6.347 1.00 2.19 H new ATOM 0 HD21 LEU A 149 -4.834 -14.262 8.472 1.00 1.38 H new ATOM 0 HD22 LEU A 149 -4.027 -12.713 8.811 1.00 1.38 H new ATOM 0 HD23 LEU A 149 -5.649 -13.033 9.468 1.00 1.38 H new ATOM 2385 N LYS A 150 -6.906 -7.995 6.935 1.00 0.52 N ATOM 2386 CA LYS A 150 -7.648 -6.802 7.306 1.00 0.53 C ATOM 2387 C LYS A 150 -7.207 -5.653 6.409 1.00 0.55 C ATOM 2388 O LYS A 150 -6.083 -5.673 5.906 1.00 0.69 O ATOM 2389 CB LYS A 150 -7.393 -6.442 8.769 1.00 0.61 C ATOM 2390 CG LYS A 150 -8.350 -7.181 9.702 1.00 0.70 C ATOM 2391 CD LYS A 150 -8.144 -6.712 11.147 1.00 1.35 C ATOM 2392 CE LYS A 150 -9.214 -7.291 12.082 1.00 2.29 C ATOM 2393 NZ LYS A 150 -9.320 -8.759 11.969 1.00 3.91 N ATOM 0 H LYS A 150 -5.958 -7.795 6.618 1.00 0.52 H new ATOM 0 HA LYS A 150 -8.715 -6.988 7.181 1.00 0.53 H new ATOM 0 HB2 LYS A 150 -6.364 -6.689 9.032 1.00 0.61 H new ATOM 0 HB3 LYS A 150 -7.508 -5.367 8.906 1.00 0.61 H new ATOM 0 HG2 LYS A 150 -9.380 -7.000 9.396 1.00 0.70 H new ATOM 0 HG3 LYS A 150 -8.181 -8.256 9.633 1.00 0.70 H new ATOM 0 HD2 LYS A 150 -7.155 -7.015 11.492 1.00 1.35 H new ATOM 0 HD3 LYS A 150 -8.176 -5.623 11.186 1.00 1.35 H new ATOM 0 HE2 LYS A 150 -8.977 -7.024 13.112 1.00 2.29 H new ATOM 0 HE3 LYS A 150 -10.179 -6.840 11.850 1.00 2.29 H new ATOM 0 HZ1 LYS A 150 -9.927 -9.123 12.731 1.00 3.91 H new ATOM 0 HZ2 LYS A 150 -9.734 -9.007 11.048 1.00 3.91 H new ATOM 0 HZ3 LYS A 150 -8.373 -9.183 12.049 1.00 3.91 H new ATOM 2407 N ASP A 151 -8.077 -4.656 6.283 1.00 0.64 N ATOM 2408 CA ASP A 151 -7.869 -3.408 5.572 1.00 0.73 C ATOM 2409 C ASP A 151 -8.031 -2.287 6.603 1.00 1.19 C ATOM 2410 O ASP A 151 -8.130 -2.558 7.796 1.00 1.98 O ATOM 2411 CB ASP A 151 -8.842 -3.274 4.391 1.00 0.81 C ATOM 2412 CG ASP A 151 -8.719 -4.358 3.324 1.00 1.05 C ATOM 2413 OD1 ASP A 151 -7.780 -5.178 3.410 1.00 2.01 O ATOM 2414 OD2 ASP A 151 -9.567 -4.346 2.406 1.00 1.92 O ATOM 0 H ASP A 151 -9.005 -4.706 6.704 1.00 0.64 H new ATOM 0 HA ASP A 151 -6.875 -3.362 5.128 1.00 0.73 H new ATOM 0 HB2 ASP A 151 -9.861 -3.281 4.778 1.00 0.81 H new ATOM 0 HB3 ASP A 151 -8.686 -2.303 3.920 1.00 0.81 H new ATOM 2419 N TYR A 152 -7.905 -1.031 6.177 1.00 0.93 N ATOM 2420 CA TYR A 152 -8.485 0.121 6.855 1.00 0.93 C ATOM 2421 C TYR A 152 -8.459 1.269 5.853 1.00 0.84 C ATOM 2422 O TYR A 152 -7.717 1.212 4.879 1.00 0.88 O ATOM 2423 CB TYR A 152 -7.759 0.499 8.162 1.00 1.16 C ATOM 2424 CG TYR A 152 -8.270 -0.196 9.412 1.00 1.42 C ATOM 2425 CD1 TYR A 152 -9.637 -0.125 9.748 1.00 2.63 C ATOM 2426 CD2 TYR A 152 -7.400 -0.969 10.206 1.00 2.68 C ATOM 2427 CE1 TYR A 152 -10.145 -0.888 10.812 1.00 3.81 C ATOM 2428 CE2 TYR A 152 -7.908 -1.723 11.279 1.00 3.70 C ATOM 2429 CZ TYR A 152 -9.286 -1.723 11.546 1.00 4.02 C ATOM 2430 OH TYR A 152 -9.781 -2.496 12.554 1.00 5.45 O ATOM 0 H TYR A 152 -7.386 -0.784 5.334 1.00 0.93 H new ATOM 0 HA TYR A 152 -9.501 -0.117 7.171 1.00 0.93 H new ATOM 0 HB2 TYR A 152 -6.699 0.273 8.048 1.00 1.16 H new ATOM 0 HB3 TYR A 152 -7.841 1.576 8.306 1.00 1.16 H new ATOM 0 HD1 TYR A 152 -10.296 0.519 9.185 1.00 2.63 H new ATOM 0 HD2 TYR A 152 -6.342 -0.983 9.990 1.00 2.68 H new ATOM 0 HE1 TYR A 152 -11.193 -0.833 11.065 1.00 3.81 H new ATOM 0 HE2 TYR A 152 -7.238 -2.302 11.897 1.00 3.70 H new ATOM 0 HH TYR A 152 -9.053 -3.013 12.957 1.00 5.45 H new ATOM 2440 N ASN A 153 -9.206 2.342 6.102 1.00 0.89 N ATOM 2441 CA ASN A 153 -9.134 3.535 5.275 1.00 0.98 C ATOM 2442 C ASN A 153 -8.218 4.590 5.879 1.00 1.40 C ATOM 2443 O ASN A 153 -7.262 5.029 5.248 1.00 2.84 O ATOM 2444 CB ASN A 153 -10.551 4.030 5.088 1.00 0.99 C ATOM 2445 CG ASN A 153 -10.668 5.184 4.107 1.00 1.29 C ATOM 2446 OD1 ASN A 153 -9.747 5.975 3.929 1.00 2.13 O ATOM 2447 ND2 ASN A 153 -11.812 5.265 3.451 1.00 1.62 N ATOM 0 H ASN A 153 -9.869 2.406 6.874 1.00 0.89 H new ATOM 0 HA ASN A 153 -8.691 3.305 4.306 1.00 0.98 H new ATOM 0 HB2 ASN A 153 -11.172 3.205 4.741 1.00 0.99 H new ATOM 0 HB3 ASN A 153 -10.948 4.343 6.054 1.00 0.99 H new ATOM 0 HD21 ASN A 153 -11.955 6.007 2.766 1.00 1.62 H new ATOM 0 HD22 ASN A 153 -12.552 4.586 3.630 1.00 1.62 H new ATOM 2520 N PRO A 159 -13.815 1.674 5.159 1.00 1.30 N ATOM 2521 CA PRO A 159 -12.657 0.988 5.731 1.00 1.09 C ATOM 2522 C PRO A 159 -12.006 -0.005 4.768 1.00 1.07 C ATOM 2523 O PRO A 159 -10.788 -0.119 4.756 1.00 1.31 O ATOM 2524 CB PRO A 159 -13.132 0.317 7.026 1.00 1.14 C ATOM 2525 CG PRO A 159 -14.654 0.303 6.901 1.00 1.11 C ATOM 2526 CD PRO A 159 -14.940 1.550 6.069 1.00 1.25 C ATOM 0 HA PRO A 159 -11.867 1.710 5.938 1.00 1.09 H new ATOM 0 HB2 PRO A 159 -12.731 -0.692 7.123 1.00 1.14 H new ATOM 0 HB3 PRO A 159 -12.809 0.874 7.905 1.00 1.14 H new ATOM 0 HG2 PRO A 159 -15.010 -0.602 6.408 1.00 1.11 H new ATOM 0 HG3 PRO A 159 -15.140 0.348 7.876 1.00 1.11 H new ATOM 0 HD2 PRO A 159 -15.878 1.451 5.523 1.00 1.25 H new ATOM 0 HD3 PRO A 159 -15.032 2.432 6.703 1.00 1.25 H new ATOM 2534 N TYR A 160 -12.841 -0.669 3.965 1.00 1.09 N ATOM 2535 CA TYR A 160 -12.621 -1.749 3.034 1.00 1.27 C ATOM 2536 C TYR A 160 -12.694 -3.105 3.705 1.00 1.38 C ATOM 2537 O TYR A 160 -13.146 -4.007 3.023 1.00 1.44 O ATOM 2538 CB TYR A 160 -11.303 -1.657 2.272 1.00 1.76 C ATOM 2539 CG TYR A 160 -11.093 -0.572 1.240 1.00 1.98 C ATOM 2540 CD1 TYR A 160 -12.123 -0.207 0.351 1.00 2.08 C ATOM 2541 CD2 TYR A 160 -9.760 -0.280 0.902 1.00 3.43 C ATOM 2542 CE1 TYR A 160 -11.820 0.427 -0.866 1.00 2.35 C ATOM 2543 CE2 TYR A 160 -9.460 0.331 -0.324 1.00 3.84 C ATOM 2544 CZ TYR A 160 -10.483 0.698 -1.202 1.00 2.87 C ATOM 2545 OH TYR A 160 -10.145 1.219 -2.412 1.00 3.43 O ATOM 0 H TYR A 160 -13.828 -0.412 3.964 1.00 1.09 H new ATOM 0 HA TYR A 160 -13.432 -1.643 2.314 1.00 1.27 H new ATOM 0 HB2 TYR A 160 -10.509 -1.557 3.012 1.00 1.76 H new ATOM 0 HB3 TYR A 160 -11.153 -2.613 1.770 1.00 1.76 H new ATOM 0 HD1 TYR A 160 -13.151 -0.416 0.606 1.00 2.08 H new ATOM 0 HD2 TYR A 160 -8.964 -0.527 1.589 1.00 3.43 H new ATOM 0 HE1 TYR A 160 -12.614 0.706 -1.543 1.00 2.35 H new ATOM 0 HE2 TYR A 160 -8.431 0.519 -0.591 1.00 3.84 H new ATOM 0 HH TYR A 160 -9.173 1.337 -2.457 1.00 3.43 H new ATOM 2555 N ASP A 161 -12.498 -3.261 5.017 1.00 1.55 N ATOM 2556 CA ASP A 161 -12.589 -4.589 5.619 1.00 1.88 C ATOM 2557 C ASP A 161 -13.919 -5.235 5.259 1.00 1.57 C ATOM 2558 O ASP A 161 -13.974 -6.337 4.722 1.00 1.58 O ATOM 2559 CB ASP A 161 -12.451 -4.499 7.136 1.00 2.46 C ATOM 2560 CG ASP A 161 -11.132 -3.876 7.529 1.00 2.98 C ATOM 2561 OD1 ASP A 161 -11.044 -2.642 7.337 1.00 3.55 O ATOM 2562 OD2 ASP A 161 -10.237 -4.646 7.947 1.00 3.68 O ATOM 0 H ASP A 161 -12.281 -2.505 5.666 1.00 1.55 H new ATOM 0 HA ASP A 161 -11.776 -5.202 5.230 1.00 1.88 H new ATOM 0 HB2 ASP A 161 -13.271 -3.908 7.544 1.00 2.46 H new ATOM 0 HB3 ASP A 161 -12.529 -5.496 7.571 1.00 2.46 H new ATOM 2567 N ASP A 162 -14.978 -4.462 5.467 1.00 1.42 N ATOM 2568 CA ASP A 162 -16.345 -4.838 5.189 1.00 1.49 C ATOM 2569 C ASP A 162 -16.484 -5.042 3.680 1.00 1.15 C ATOM 2570 O ASP A 162 -16.455 -6.175 3.221 1.00 1.21 O ATOM 2571 CB ASP A 162 -17.270 -3.758 5.776 1.00 1.73 C ATOM 2572 CG ASP A 162 -18.617 -3.683 5.080 1.00 2.30 C ATOM 2573 OD1 ASP A 162 -19.500 -4.495 5.423 1.00 3.32 O ATOM 2574 OD2 ASP A 162 -18.710 -2.805 4.197 1.00 2.88 O ATOM 0 H ASP A 162 -14.897 -3.520 5.849 1.00 1.42 H new ATOM 0 HA ASP A 162 -16.633 -5.779 5.658 1.00 1.49 H new ATOM 0 HB2 ASP A 162 -17.426 -3.959 6.836 1.00 1.73 H new ATOM 0 HB3 ASP A 162 -16.777 -2.788 5.705 1.00 1.73 H new ATOM 2579 N ILE A 163 -16.571 -3.955 2.916 1.00 1.00 N ATOM 2580 CA ILE A 163 -16.636 -3.917 1.459 1.00 1.06 C ATOM 2581 C ILE A 163 -15.858 -5.065 0.788 1.00 0.93 C ATOM 2582 O ILE A 163 -16.428 -5.882 0.066 1.00 1.04 O ATOM 2583 CB ILE A 163 -16.139 -2.545 0.971 1.00 1.23 C ATOM 2584 CG1 ILE A 163 -16.811 -1.391 1.735 1.00 1.38 C ATOM 2585 CG2 ILE A 163 -16.398 -2.380 -0.533 1.00 1.66 C ATOM 2586 CD1 ILE A 163 -15.910 -0.817 2.841 1.00 1.08 C ATOM 0 H ILE A 163 -16.600 -3.021 3.324 1.00 1.00 H new ATOM 0 HA ILE A 163 -17.676 -4.061 1.166 1.00 1.06 H new ATOM 0 HB ILE A 163 -15.067 -2.506 1.163 1.00 1.23 H new ATOM 0 HG12 ILE A 163 -17.071 -0.598 1.034 1.00 1.38 H new ATOM 0 HG13 ILE A 163 -17.743 -1.745 2.176 1.00 1.38 H new ATOM 0 HG21 ILE A 163 -16.040 -1.404 -0.859 1.00 1.66 H new ATOM 0 HG22 ILE A 163 -15.871 -3.161 -1.081 1.00 1.66 H new ATOM 0 HG23 ILE A 163 -17.467 -2.458 -0.729 1.00 1.66 H new ATOM 0 HD11 ILE A 163 -16.431 -0.006 3.350 1.00 1.08 H new ATOM 0 HD12 ILE A 163 -15.671 -1.601 3.559 1.00 1.08 H new ATOM 0 HD13 ILE A 163 -14.989 -0.436 2.399 1.00 1.08 H new ATOM 2598 N ILE A 164 -14.539 -5.123 0.987 1.00 0.90 N ATOM 2599 CA ILE A 164 -13.680 -6.144 0.432 1.00 1.06 C ATOM 2600 C ILE A 164 -14.074 -7.525 0.955 1.00 0.94 C ATOM 2601 O ILE A 164 -14.211 -8.420 0.122 1.00 0.95 O ATOM 2602 CB ILE A 164 -12.203 -5.766 0.647 1.00 1.42 C ATOM 2603 CG1 ILE A 164 -11.740 -4.727 -0.387 1.00 1.76 C ATOM 2604 CG2 ILE A 164 -11.256 -6.968 0.571 1.00 1.70 C ATOM 2605 CD1 ILE A 164 -12.670 -3.540 -0.649 1.00 1.67 C ATOM 0 H ILE A 164 -14.037 -4.440 1.554 1.00 0.90 H new ATOM 0 HA ILE A 164 -13.814 -6.204 -0.648 1.00 1.06 H new ATOM 0 HB ILE A 164 -12.156 -5.352 1.654 1.00 1.42 H new ATOM 0 HG12 ILE A 164 -10.775 -4.336 -0.064 1.00 1.76 H new ATOM 0 HG13 ILE A 164 -11.575 -5.242 -1.333 1.00 1.76 H new ATOM 0 HG21 ILE A 164 -10.231 -6.634 0.731 1.00 1.70 H new ATOM 0 HG22 ILE A 164 -11.526 -7.693 1.339 1.00 1.70 H new ATOM 0 HG23 ILE A 164 -11.337 -7.434 -0.411 1.00 1.70 H new ATOM 0 HD11 ILE A 164 -12.223 -2.886 -1.398 1.00 1.67 H new ATOM 0 HD12 ILE A 164 -13.631 -3.904 -1.012 1.00 1.67 H new ATOM 0 HD13 ILE A 164 -12.819 -2.983 0.276 1.00 1.67 H new ATOM 2617 N SER A 165 -14.278 -7.736 2.268 1.00 1.02 N ATOM 2618 CA SER A 165 -14.736 -9.042 2.747 1.00 1.20 C ATOM 2619 C SER A 165 -15.988 -9.453 1.977 1.00 1.07 C ATOM 2620 O SER A 165 -16.089 -10.595 1.529 1.00 1.14 O ATOM 2621 CB SER A 165 -15.026 -9.095 4.260 1.00 1.64 C ATOM 2622 OG SER A 165 -16.250 -8.492 4.607 1.00 2.98 O ATOM 0 H SER A 165 -14.136 -7.036 2.996 1.00 1.02 H new ATOM 0 HA SER A 165 -13.915 -9.736 2.570 1.00 1.20 H new ATOM 0 HB2 SER A 165 -15.034 -10.135 4.587 1.00 1.64 H new ATOM 0 HB3 SER A 165 -14.218 -8.599 4.797 1.00 1.64 H new ATOM 0 HG SER A 165 -16.379 -7.681 4.072 1.00 2.98 H new ATOM 2628 N ASP A 166 -16.921 -8.512 1.806 1.00 1.09 N ATOM 2629 CA ASP A 166 -18.209 -8.788 1.195 1.00 1.32 C ATOM 2630 C ASP A 166 -18.008 -9.212 -0.257 1.00 1.25 C ATOM 2631 O ASP A 166 -18.329 -10.337 -0.637 1.00 1.36 O ATOM 2632 CB ASP A 166 -19.124 -7.569 1.318 1.00 1.51 C ATOM 2633 CG ASP A 166 -20.430 -7.846 0.588 1.00 1.86 C ATOM 2634 OD1 ASP A 166 -21.288 -8.524 1.190 1.00 1.93 O ATOM 2635 OD2 ASP A 166 -20.521 -7.418 -0.584 1.00 3.05 O ATOM 0 H ASP A 166 -16.797 -7.540 2.090 1.00 1.09 H new ATOM 0 HA ASP A 166 -18.697 -9.611 1.717 1.00 1.32 H new ATOM 0 HB2 ASP A 166 -19.320 -7.351 2.368 1.00 1.51 H new ATOM 0 HB3 ASP A 166 -18.637 -6.690 0.896 1.00 1.51 H new ATOM 2640 N VAL A 167 -17.402 -8.336 -1.062 1.00 1.17 N ATOM 2641 CA VAL A 167 -17.163 -8.594 -2.472 1.00 1.33 C ATOM 2642 C VAL A 167 -16.368 -9.894 -2.651 1.00 1.15 C ATOM 2643 O VAL A 167 -16.667 -10.693 -3.540 1.00 1.34 O ATOM 2644 CB VAL A 167 -16.469 -7.374 -3.105 1.00 1.49 C ATOM 2645 CG1 VAL A 167 -16.067 -7.647 -4.559 1.00 1.82 C ATOM 2646 CG2 VAL A 167 -17.410 -6.159 -3.101 1.00 1.74 C ATOM 0 H VAL A 167 -17.065 -7.426 -0.747 1.00 1.17 H new ATOM 0 HA VAL A 167 -18.110 -8.738 -2.993 1.00 1.33 H new ATOM 0 HB VAL A 167 -15.578 -7.174 -2.510 1.00 1.49 H new ATOM 0 HG11 VAL A 167 -15.580 -6.764 -4.974 1.00 1.82 H new ATOM 0 HG12 VAL A 167 -15.379 -8.491 -4.594 1.00 1.82 H new ATOM 0 HG13 VAL A 167 -16.956 -7.880 -5.145 1.00 1.82 H new ATOM 0 HG21 VAL A 167 -16.904 -5.305 -3.552 1.00 1.74 H new ATOM 0 HG22 VAL A 167 -18.308 -6.392 -3.673 1.00 1.74 H new ATOM 0 HG23 VAL A 167 -17.687 -5.916 -2.075 1.00 1.74 H new ATOM 2656 N LYS A 168 -15.343 -10.122 -1.826 1.00 0.91 N ATOM 2657 CA LYS A 168 -14.530 -11.327 -1.913 1.00 0.91 C ATOM 2658 C LYS A 168 -15.335 -12.568 -1.534 1.00 0.90 C ATOM 2659 O LYS A 168 -15.212 -13.602 -2.188 1.00 0.94 O ATOM 2660 CB LYS A 168 -13.275 -11.197 -1.045 1.00 1.10 C ATOM 2661 CG LYS A 168 -12.052 -10.561 -1.729 1.00 1.67 C ATOM 2662 CD LYS A 168 -12.318 -9.264 -2.511 1.00 2.25 C ATOM 2663 CE LYS A 168 -12.454 -9.465 -4.029 1.00 2.62 C ATOM 2664 NZ LYS A 168 -12.427 -8.181 -4.761 1.00 3.66 N ATOM 0 H LYS A 168 -15.059 -9.480 -1.086 1.00 0.91 H new ATOM 0 HA LYS A 168 -14.215 -11.445 -2.950 1.00 0.91 H new ATOM 0 HB2 LYS A 168 -13.525 -10.605 -0.165 1.00 1.10 H new ATOM 0 HB3 LYS A 168 -12.995 -12.190 -0.692 1.00 1.10 H new ATOM 0 HG2 LYS A 168 -11.300 -10.355 -0.967 1.00 1.67 H new ATOM 0 HG3 LYS A 168 -11.621 -11.293 -2.413 1.00 1.67 H new ATOM 0 HD2 LYS A 168 -13.231 -8.805 -2.133 1.00 2.25 H new ATOM 0 HD3 LYS A 168 -11.505 -8.563 -2.319 1.00 2.25 H new ATOM 0 HE2 LYS A 168 -11.644 -10.102 -4.385 1.00 2.62 H new ATOM 0 HE3 LYS A 168 -13.387 -9.986 -4.244 1.00 2.62 H new ATOM 0 HZ1 LYS A 168 -12.833 -8.313 -5.709 1.00 3.66 H new ATOM 0 HZ2 LYS A 168 -12.984 -7.473 -4.241 1.00 3.66 H new ATOM 0 HZ3 LYS A 168 -11.444 -7.852 -4.848 1.00 3.66 H new ATOM 2678 N SER A 169 -16.150 -12.476 -0.485 1.00 1.04 N ATOM 2679 CA SER A 169 -17.054 -13.543 -0.092 1.00 1.37 C ATOM 2680 C SER A 169 -18.003 -13.849 -1.252 1.00 1.50 C ATOM 2681 O SER A 169 -18.179 -15.004 -1.623 1.00 1.69 O ATOM 2682 CB SER A 169 -17.816 -13.146 1.180 1.00 1.71 C ATOM 2683 OG SER A 169 -18.524 -14.255 1.698 1.00 2.05 O ATOM 0 H SER A 169 -16.198 -11.653 0.116 1.00 1.04 H new ATOM 0 HA SER A 169 -16.490 -14.447 0.136 1.00 1.37 H new ATOM 0 HB2 SER A 169 -17.117 -12.771 1.928 1.00 1.71 H new ATOM 0 HB3 SER A 169 -18.510 -12.335 0.958 1.00 1.71 H new ATOM 0 HG SER A 169 -19.003 -13.987 2.510 1.00 2.05 H new ATOM 2689 N ALA A 170 -18.567 -12.811 -1.874 1.00 1.57 N ATOM 2690 CA ALA A 170 -19.570 -12.955 -2.919 1.00 1.88 C ATOM 2691 C ALA A 170 -18.937 -13.590 -4.153 1.00 1.82 C ATOM 2692 O ALA A 170 -19.508 -14.479 -4.777 1.00 2.06 O ATOM 2693 CB ALA A 170 -20.176 -11.587 -3.244 1.00 2.05 C ATOM 0 H ALA A 170 -18.335 -11.841 -1.661 1.00 1.57 H new ATOM 0 HA ALA A 170 -20.372 -13.608 -2.575 1.00 1.88 H new ATOM 0 HB1 ALA A 170 -20.926 -11.698 -4.027 1.00 2.05 H new ATOM 0 HB2 ALA A 170 -20.643 -11.174 -2.350 1.00 2.05 H new ATOM 0 HB3 ALA A 170 -19.391 -10.913 -3.587 1.00 2.05 H new ATOM 2699 N SER A 171 -17.736 -13.118 -4.488 1.00 1.59 N ATOM 2700 CA SER A 171 -16.898 -13.661 -5.543 1.00 1.64 C ATOM 2701 C SER A 171 -16.272 -15.019 -5.177 1.00 1.49 C ATOM 2702 O SER A 171 -15.639 -15.640 -6.027 1.00 1.96 O ATOM 2703 CB SER A 171 -15.944 -12.555 -6.019 1.00 1.82 C ATOM 2704 OG SER A 171 -15.328 -12.880 -7.249 1.00 2.56 O ATOM 0 H SER A 171 -17.311 -12.321 -4.014 1.00 1.59 H new ATOM 0 HA SER A 171 -17.496 -13.942 -6.410 1.00 1.64 H new ATOM 0 HB2 SER A 171 -16.496 -11.621 -6.126 1.00 1.82 H new ATOM 0 HB3 SER A 171 -15.177 -12.387 -5.263 1.00 1.82 H new ATOM 0 HG SER A 171 -15.161 -13.845 -7.286 1.00 2.56 H new ATOM 2710 N THR A 172 -16.432 -15.472 -3.925 1.00 1.51 N ATOM 2711 CA THR A 172 -16.095 -16.807 -3.442 1.00 1.65 C ATOM 2712 C THR A 172 -14.675 -17.234 -3.824 1.00 1.60 C ATOM 2713 O THR A 172 -14.417 -18.406 -4.096 1.00 2.15 O ATOM 2714 CB THR A 172 -17.173 -17.828 -3.857 1.00 3.10 C ATOM 2715 OG1 THR A 172 -17.407 -17.825 -5.250 1.00 3.74 O ATOM 2716 CG2 THR A 172 -18.512 -17.583 -3.157 1.00 5.18 C ATOM 0 H THR A 172 -16.820 -14.882 -3.189 1.00 1.51 H new ATOM 0 HA THR A 172 -16.091 -16.773 -2.353 1.00 1.65 H new ATOM 0 HB THR A 172 -16.773 -18.795 -3.552 1.00 3.10 H new ATOM 0 HG1 THR A 172 -18.096 -18.488 -5.467 1.00 3.74 H new ATOM 0 HG21 THR A 172 -19.236 -18.329 -3.485 1.00 5.18 H new ATOM 0 HG22 THR A 172 -18.377 -17.657 -2.078 1.00 5.18 H new ATOM 0 HG23 THR A 172 -18.878 -16.588 -3.409 1.00 5.18 H new