USER MOD reduce.3.24.130724 H: found=0, std=0, add=973, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 973 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 94 ASN : amide:sc= -3.07 K(o=-2.1,f=-3.9!) USER MOD Set 1.2: A 102 THR OG1 : rot -48:sc= 0.963 USER MOD Set 2.1: A 92 SER OG : rot 172:sc= 0.973 USER MOD Set 2.2: A 106 TYR OH : rot 165:sc= -0.233 USER MOD Set 3.1: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -140:sc= -0.702 USER MOD Single : A 22 THR OG1 : rot 75:sc= 0.693 USER MOD Single : A 25 ASN : amide:sc= -0.161 K(o=-0.16,f=-2!) USER MOD Single : A 29 HIS : no HD1:sc= -0.046 X(o=-0.046,f=-0.22) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl -172:sc= -4.68 (180deg=-5.02) USER MOD Single : A 38 HIS : no HD1:sc= -1.37 X(o=-1.4,f=-1.1) USER MOD Single : A 42 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.0019) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -5:sc= -0.425 USER MOD Single : A 56 ASN : amide:sc= -0.42 X(o=-0.42,f=-0.85) USER MOD Single : A 59 GLN : amide:sc= -2.07! C(o=-2.1!,f=-7.8!) USER MOD Single : A 66 LYS NZ :NH3+ -127:sc= 0.472 (180deg=-0.0204) USER MOD Single : A 67 ASN : amide:sc= -0.87 K(o=-0.87,f=-1.7!) USER MOD Single : A 70 CYS SG : rot 180:sc= -2.55! USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 0.00979 (180deg=0.00522) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 117 THR OG1 : rot -52:sc= 0.356 USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.0064 X(o=-0.0064,f=0) USER MOD Single : A 124 GLN : amide:sc=-0.00308 X(o=-0.0031,f=-0.1) USER MOD Single : A 126 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.134) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN : amide:sc= -0.0365 X(o=-0.036,f=-0.073) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 14 -5.733 7.436 -4.075 1.00 64.52 N ATOM 64 CA VAL A 14 -6.041 7.924 -2.736 1.00 44.14 C ATOM 65 C VAL A 14 -4.891 8.753 -2.176 1.00 44.51 C ATOM 66 O VAL A 14 -3.770 8.264 -2.035 1.00 41.33 O ATOM 67 CB VAL A 14 -6.340 6.763 -1.770 1.00 61.31 C ATOM 68 CG1 VAL A 14 -5.199 5.757 -1.774 1.00 3.01 C ATOM 69 CG2 VAL A 14 -6.592 7.290 -0.366 1.00 10.13 C ATOM 0 HA VAL A 14 -6.928 8.551 -2.824 1.00 44.14 H new ATOM 0 HB VAL A 14 -7.242 6.254 -2.110 1.00 61.31 H new ATOM 0 HG11 VAL A 14 -5.428 4.944 -1.085 1.00 3.01 H new ATOM 0 HG12 VAL A 14 -5.071 5.356 -2.779 1.00 3.01 H new ATOM 0 HG13 VAL A 14 -4.279 6.249 -1.460 1.00 3.01 H new ATOM 0 HG21 VAL A 14 -6.802 6.456 0.304 1.00 10.13 H new ATOM 0 HG22 VAL A 14 -5.710 7.825 -0.014 1.00 10.13 H new ATOM 0 HG23 VAL A 14 -7.446 7.968 -0.380 1.00 10.13 H new ATOM 79 N SER A 15 -5.176 10.012 -1.857 1.00 73.21 N ATOM 80 CA SER A 15 -4.165 10.911 -1.315 1.00 1.34 C ATOM 81 C SER A 15 -4.781 11.876 -0.305 1.00 64.34 C ATOM 82 O SER A 15 -5.967 12.197 -0.380 1.00 44.44 O ATOM 83 CB SER A 15 -3.492 11.696 -2.443 1.00 14.35 C ATOM 84 OG SER A 15 -2.089 11.500 -2.435 1.00 31.55 O ATOM 0 H SER A 15 -6.099 10.432 -1.965 1.00 73.21 H new ATOM 0 HA SER A 15 -3.414 10.308 -0.804 1.00 1.34 H new ATOM 0 HB2 SER A 15 -3.901 11.381 -3.403 1.00 14.35 H new ATOM 0 HB3 SER A 15 -3.715 12.758 -2.334 1.00 14.35 H new ATOM 0 HG SER A 15 -1.683 12.011 -3.166 1.00 31.55 H new ATOM 90 N VAL A 16 -3.965 12.334 0.639 1.00 34.13 N ATOM 91 CA VAL A 16 -4.428 13.262 1.664 1.00 50.42 C ATOM 92 C VAL A 16 -4.640 14.657 1.086 1.00 4.32 C ATOM 93 O VAL A 16 -3.721 15.253 0.524 1.00 13.43 O ATOM 94 CB VAL A 16 -3.431 13.349 2.834 1.00 5.22 C ATOM 95 CG1 VAL A 16 -2.047 13.728 2.330 1.00 44.54 C ATOM 96 CG2 VAL A 16 -3.918 14.344 3.877 1.00 51.24 C ATOM 0 H VAL A 16 -2.981 12.078 0.715 1.00 34.13 H new ATOM 0 HA VAL A 16 -5.378 12.877 2.034 1.00 50.42 H new ATOM 0 HB VAL A 16 -3.364 12.368 3.304 1.00 5.22 H new ATOM 0 HG11 VAL A 16 -1.356 13.785 3.171 1.00 44.54 H new ATOM 0 HG12 VAL A 16 -1.698 12.975 1.624 1.00 44.54 H new ATOM 0 HG13 VAL A 16 -2.094 14.697 1.833 1.00 44.54 H new ATOM 0 HG21 VAL A 16 -3.201 14.392 4.696 1.00 51.24 H new ATOM 0 HG22 VAL A 16 -4.016 15.330 3.422 1.00 51.24 H new ATOM 0 HG23 VAL A 16 -4.887 14.024 4.261 1.00 51.24 H new ATOM 106 N ALA A 17 -5.856 15.173 1.229 1.00 33.40 N ATOM 107 CA ALA A 17 -6.188 16.499 0.724 1.00 73.13 C ATOM 108 C ALA A 17 -5.658 17.588 1.650 1.00 20.11 C ATOM 109 O ALA A 17 -5.360 17.333 2.817 1.00 31.41 O ATOM 110 CB ALA A 17 -7.694 16.637 0.552 1.00 62.52 C ATOM 0 H ALA A 17 -6.628 14.692 1.691 1.00 33.40 H new ATOM 0 HA ALA A 17 -5.710 16.620 -0.248 1.00 73.13 H new ATOM 0 HB1 ALA A 17 -7.927 17.632 0.174 1.00 62.52 H new ATOM 0 HB2 ALA A 17 -8.050 15.888 -0.155 1.00 62.52 H new ATOM 0 HB3 ALA A 17 -8.185 16.490 1.514 1.00 62.52 H new ATOM 116 N ASP A 18 -5.542 18.802 1.123 1.00 62.42 N ATOM 117 CA ASP A 18 -5.047 19.930 1.903 1.00 14.11 C ATOM 118 C ASP A 18 -5.871 20.115 3.174 1.00 72.23 C ATOM 119 O ASP A 18 -5.342 20.493 4.218 1.00 43.31 O ATOM 120 CB ASP A 18 -5.083 21.210 1.067 1.00 42.31 C ATOM 121 CG ASP A 18 -4.056 21.202 -0.049 1.00 30.35 C ATOM 122 OD1 ASP A 18 -2.846 21.231 0.259 1.00 32.41 O ATOM 123 OD2 ASP A 18 -4.462 21.167 -1.229 1.00 53.12 O ATOM 0 H ASP A 18 -5.784 19.030 0.159 1.00 62.42 H new ATOM 0 HA ASP A 18 -4.016 19.719 2.187 1.00 14.11 H new ATOM 0 HB2 ASP A 18 -6.078 21.334 0.640 1.00 42.31 H new ATOM 0 HB3 ASP A 18 -4.905 22.069 1.715 1.00 42.31 H new ATOM 128 N GLU A 19 -7.169 19.846 3.076 1.00 74.24 N ATOM 129 CA GLU A 19 -8.066 19.985 4.217 1.00 21.42 C ATOM 130 C GLU A 19 -7.598 19.121 5.385 1.00 61.32 C ATOM 131 O GLU A 19 -7.570 19.570 6.531 1.00 33.12 O ATOM 132 CB GLU A 19 -9.493 19.599 3.823 1.00 31.30 C ATOM 133 CG GLU A 19 -9.599 18.219 3.195 1.00 52.32 C ATOM 134 CD GLU A 19 -10.968 17.953 2.599 1.00 40.30 C ATOM 135 OE1 GLU A 19 -11.932 17.793 3.377 1.00 61.12 O ATOM 136 OE2 GLU A 19 -11.075 17.905 1.356 1.00 55.31 O ATOM 0 H GLU A 19 -7.623 19.531 2.219 1.00 74.24 H new ATOM 0 HA GLU A 19 -8.054 21.029 4.531 1.00 21.42 H new ATOM 0 HB2 GLU A 19 -10.128 19.636 4.708 1.00 31.30 H new ATOM 0 HB3 GLU A 19 -9.880 20.339 3.122 1.00 31.30 H new ATOM 0 HG2 GLU A 19 -8.842 18.119 2.417 1.00 52.32 H new ATOM 0 HG3 GLU A 19 -9.382 17.463 3.950 1.00 52.32 H new ATOM 143 N CYS A 20 -7.232 17.880 5.085 1.00 64.41 N ATOM 144 CA CYS A 20 -6.766 16.951 6.109 1.00 2.20 C ATOM 145 C CYS A 20 -5.472 17.449 6.746 1.00 73.41 C ATOM 146 O CYS A 20 -5.311 17.404 7.966 1.00 72.14 O ATOM 147 CB CYS A 20 -6.551 15.562 5.508 1.00 70.45 C ATOM 148 SG CYS A 20 -8.070 14.602 5.306 1.00 21.41 S ATOM 0 H CYS A 20 -7.249 17.493 4.141 1.00 64.41 H new ATOM 0 HA CYS A 20 -7.531 16.889 6.883 1.00 2.20 H new ATOM 0 HB2 CYS A 20 -6.070 15.669 4.536 1.00 70.45 H new ATOM 0 HB3 CYS A 20 -5.864 15.005 6.145 1.00 70.45 H new ATOM 0 HG CYS A 20 -7.844 13.361 5.621 1.00 21.41 H new ATOM 154 N VAL A 21 -4.552 17.921 5.912 1.00 45.13 N ATOM 155 CA VAL A 21 -3.271 18.426 6.393 1.00 53.42 C ATOM 156 C VAL A 21 -3.468 19.578 7.372 1.00 10.10 C ATOM 157 O VAL A 21 -2.821 19.636 8.419 1.00 54.14 O ATOM 158 CB VAL A 21 -2.383 18.903 5.228 1.00 3.05 C ATOM 159 CG1 VAL A 21 -0.987 19.245 5.727 1.00 10.21 C ATOM 160 CG2 VAL A 21 -2.323 17.846 4.137 1.00 74.54 C ATOM 0 H VAL A 21 -4.669 17.965 4.900 1.00 45.13 H new ATOM 0 HA VAL A 21 -2.776 17.600 6.903 1.00 53.42 H new ATOM 0 HB VAL A 21 -2.823 19.805 4.804 1.00 3.05 H new ATOM 0 HG11 VAL A 21 -0.374 19.580 4.891 1.00 10.21 H new ATOM 0 HG12 VAL A 21 -1.051 20.039 6.471 1.00 10.21 H new ATOM 0 HG13 VAL A 21 -0.535 18.361 6.177 1.00 10.21 H new ATOM 0 HG21 VAL A 21 -1.692 18.200 3.322 1.00 74.54 H new ATOM 0 HG22 VAL A 21 -1.907 16.925 4.545 1.00 74.54 H new ATOM 0 HG23 VAL A 21 -3.328 17.654 3.760 1.00 74.54 H new ATOM 170 N THR A 22 -4.366 20.495 7.026 1.00 13.10 N ATOM 171 CA THR A 22 -4.649 21.647 7.874 1.00 64.53 C ATOM 172 C THR A 22 -5.298 21.218 9.185 1.00 52.24 C ATOM 173 O THR A 22 -4.943 21.712 10.254 1.00 32.25 O ATOM 174 CB THR A 22 -5.571 22.655 7.163 1.00 45.14 C ATOM 175 OG1 THR A 22 -5.110 22.882 5.826 1.00 70.21 O ATOM 176 CG2 THR A 22 -5.616 23.974 7.919 1.00 24.04 C ATOM 0 H THR A 22 -4.910 20.462 6.164 1.00 13.10 H new ATOM 0 HA THR A 22 -3.693 22.127 8.085 1.00 64.53 H new ATOM 0 HB THR A 22 -6.577 22.236 7.134 1.00 45.14 H new ATOM 0 HG1 THR A 22 -5.329 22.107 5.268 1.00 70.21 H new ATOM 0 HG21 THR A 22 -6.273 24.670 7.398 1.00 24.04 H new ATOM 0 HG22 THR A 22 -5.994 23.803 8.927 1.00 24.04 H new ATOM 0 HG23 THR A 22 -4.612 24.396 7.975 1.00 24.04 H new ATOM 184 N ALA A 23 -6.251 20.296 9.094 1.00 51.32 N ATOM 185 CA ALA A 23 -6.948 19.800 10.274 1.00 72.54 C ATOM 186 C ALA A 23 -5.969 19.202 11.278 1.00 34.45 C ATOM 187 O ALA A 23 -6.033 19.495 12.473 1.00 12.21 O ATOM 188 CB ALA A 23 -7.993 18.768 9.874 1.00 12.31 C ATOM 0 H ALA A 23 -6.558 19.878 8.216 1.00 51.32 H new ATOM 0 HA ALA A 23 -7.449 20.642 10.752 1.00 72.54 H new ATOM 0 HB1 ALA A 23 -8.506 18.406 10.765 1.00 12.31 H new ATOM 0 HB2 ALA A 23 -8.717 19.226 9.199 1.00 12.31 H new ATOM 0 HB3 ALA A 23 -7.506 17.933 9.371 1.00 12.31 H new ATOM 194 N LEU A 24 -5.065 18.361 10.788 1.00 1.40 N ATOM 195 CA LEU A 24 -4.072 17.721 11.644 1.00 71.12 C ATOM 196 C LEU A 24 -3.089 18.746 12.199 1.00 11.51 C ATOM 197 O LEU A 24 -2.692 18.674 13.361 1.00 13.43 O ATOM 198 CB LEU A 24 -3.316 16.644 10.864 1.00 75.42 C ATOM 199 CG LEU A 24 -4.165 15.501 10.303 1.00 4.35 C ATOM 200 CD1 LEU A 24 -3.333 14.620 9.385 1.00 22.30 C ATOM 201 CD2 LEU A 24 -4.766 14.679 11.434 1.00 1.31 C ATOM 0 H LEU A 24 -4.999 18.106 9.803 1.00 1.40 H new ATOM 0 HA LEU A 24 -4.595 17.257 12.480 1.00 71.12 H new ATOM 0 HB2 LEU A 24 -2.794 17.123 10.036 1.00 75.42 H new ATOM 0 HB3 LEU A 24 -2.554 16.218 11.517 1.00 75.42 H new ATOM 0 HG LEU A 24 -4.980 15.930 9.720 1.00 4.35 H new ATOM 0 HD11 LEU A 24 -3.953 13.813 8.995 1.00 22.30 H new ATOM 0 HD12 LEU A 24 -2.951 15.216 8.556 1.00 22.30 H new ATOM 0 HD13 LEU A 24 -2.498 14.198 9.944 1.00 22.30 H new ATOM 0 HD21 LEU A 24 -5.367 13.871 11.017 1.00 1.31 H new ATOM 0 HD22 LEU A 24 -3.966 14.259 12.044 1.00 1.31 H new ATOM 0 HD23 LEU A 24 -5.397 15.318 12.053 1.00 1.31 H new ATOM 213 N ASN A 25 -2.702 19.702 11.360 1.00 1.04 N ATOM 214 CA ASN A 25 -1.766 20.744 11.768 1.00 34.01 C ATOM 215 C ASN A 25 -2.304 21.519 12.967 1.00 31.23 C ATOM 216 O ASN A 25 -1.582 21.768 13.933 1.00 60.11 O ATOM 217 CB ASN A 25 -1.500 21.702 10.606 1.00 43.25 C ATOM 218 CG ASN A 25 -0.270 21.314 9.807 1.00 11.40 C ATOM 219 OD1 ASN A 25 0.333 20.267 10.044 1.00 54.32 O ATOM 220 ND2 ASN A 25 0.108 22.160 8.855 1.00 32.41 N ATOM 0 H ASN A 25 -3.022 19.777 10.394 1.00 1.04 H new ATOM 0 HA ASN A 25 -0.831 20.265 12.057 1.00 34.01 H new ATOM 0 HB2 ASN A 25 -2.368 21.719 9.947 1.00 43.25 H new ATOM 0 HB3 ASN A 25 -1.374 22.713 10.994 1.00 43.25 H new ATOM 0 HD21 ASN A 25 0.928 21.953 8.285 1.00 32.41 H new ATOM 0 HD22 ASN A 25 -0.422 23.016 8.694 1.00 32.41 H new ATOM 227 N ASP A 26 -3.576 21.896 12.899 1.00 42.53 N ATOM 228 CA ASP A 26 -4.212 22.642 13.979 1.00 24.51 C ATOM 229 C ASP A 26 -4.439 21.748 15.195 1.00 40.33 C ATOM 230 O ASP A 26 -4.306 22.190 16.337 1.00 45.02 O ATOM 231 CB ASP A 26 -5.542 23.230 13.507 1.00 0.33 C ATOM 232 CG ASP A 26 -5.362 24.268 12.417 1.00 4.31 C ATOM 233 OD1 ASP A 26 -4.611 23.996 11.457 1.00 50.05 O ATOM 234 OD2 ASP A 26 -5.972 25.352 12.524 1.00 5.50 O ATOM 0 H ASP A 26 -4.187 21.697 12.107 1.00 42.53 H new ATOM 0 HA ASP A 26 -3.547 23.456 14.267 1.00 24.51 H new ATOM 0 HB2 ASP A 26 -6.180 22.427 13.138 1.00 0.33 H new ATOM 0 HB3 ASP A 26 -6.057 23.683 14.354 1.00 0.33 H new ATOM 239 N LEU A 27 -4.784 20.491 14.942 1.00 70.31 N ATOM 240 CA LEU A 27 -5.031 19.535 16.016 1.00 74.44 C ATOM 241 C LEU A 27 -3.801 19.384 16.905 1.00 15.52 C ATOM 242 O LEU A 27 -3.911 19.344 18.131 1.00 42.52 O ATOM 243 CB LEU A 27 -5.423 18.175 15.434 1.00 15.03 C ATOM 244 CG LEU A 27 -6.284 17.284 16.331 1.00 4.34 C ATOM 245 CD1 LEU A 27 -7.733 17.746 16.310 1.00 25.32 C ATOM 246 CD2 LEU A 27 -6.179 15.830 15.897 1.00 63.33 C ATOM 0 H LEU A 27 -4.899 20.110 14.003 1.00 70.31 H new ATOM 0 HA LEU A 27 -5.852 19.914 16.625 1.00 74.44 H new ATOM 0 HB2 LEU A 27 -5.959 18.343 14.500 1.00 15.03 H new ATOM 0 HB3 LEU A 27 -4.511 17.632 15.185 1.00 15.03 H new ATOM 0 HG LEU A 27 -5.914 17.364 17.353 1.00 4.34 H new ATOM 0 HD11 LEU A 27 -8.330 17.100 16.954 1.00 25.32 H new ATOM 0 HD12 LEU A 27 -7.793 18.773 16.670 1.00 25.32 H new ATOM 0 HD13 LEU A 27 -8.116 17.696 15.291 1.00 25.32 H new ATOM 0 HD21 LEU A 27 -6.798 15.211 16.546 1.00 63.33 H new ATOM 0 HD22 LEU A 27 -6.522 15.732 14.867 1.00 63.33 H new ATOM 0 HD23 LEU A 27 -5.141 15.504 15.966 1.00 63.33 H new ATOM 258 N ARG A 28 -2.632 19.304 16.280 1.00 64.12 N ATOM 259 CA ARG A 28 -1.381 19.160 17.015 1.00 63.53 C ATOM 260 C ARG A 28 -1.122 20.380 17.893 1.00 35.15 C ATOM 261 O ARG A 28 -0.401 20.300 18.888 1.00 2.42 O ATOM 262 CB ARG A 28 -0.215 18.960 16.045 1.00 43.22 C ATOM 263 CG ARG A 28 0.445 20.259 15.611 1.00 61.25 C ATOM 264 CD ARG A 28 1.001 20.156 14.199 1.00 41.32 C ATOM 265 NE ARG A 28 2.457 20.038 14.191 1.00 13.41 N ATOM 266 CZ ARG A 28 3.277 21.053 14.438 1.00 5.25 C ATOM 267 NH1 ARG A 28 2.788 22.255 14.712 1.00 30.42 N ATOM 268 NH2 ARG A 28 4.591 20.867 14.413 1.00 40.00 N ATOM 0 H ARG A 28 -2.524 19.336 15.266 1.00 64.12 H new ATOM 0 HA ARG A 28 -1.465 18.283 17.657 1.00 63.53 H new ATOM 0 HB2 ARG A 28 0.533 18.322 16.516 1.00 43.22 H new ATOM 0 HB3 ARG A 28 -0.574 18.432 15.162 1.00 43.22 H new ATOM 0 HG2 ARG A 28 -0.281 21.071 15.659 1.00 61.25 H new ATOM 0 HG3 ARG A 28 1.249 20.509 16.303 1.00 61.25 H new ATOM 0 HD2 ARG A 28 0.565 19.291 13.700 1.00 41.32 H new ATOM 0 HD3 ARG A 28 0.706 21.036 13.628 1.00 41.32 H new ATOM 0 HE ARG A 28 2.866 19.127 13.985 1.00 13.41 H new ATOM 0 HH11 ARG A 28 1.779 22.402 14.734 1.00 30.42 H new ATOM 0 HH12 ARG A 28 3.421 23.032 14.901 1.00 30.42 H new ATOM 0 HH21 ARG A 28 4.972 19.944 14.204 1.00 40.00 H new ATOM 0 HH22 ARG A 28 5.220 21.647 14.603 1.00 40.00 H new ATOM 282 N HIS A 29 -1.716 21.509 17.519 1.00 32.21 N ATOM 283 CA HIS A 29 -1.551 22.746 18.273 1.00 5.31 C ATOM 284 C HIS A 29 -2.670 22.913 19.296 1.00 23.15 C ATOM 285 O HIS A 29 -2.941 24.020 19.761 1.00 1.43 O ATOM 286 CB HIS A 29 -1.527 23.946 17.326 1.00 50.22 C ATOM 287 CG HIS A 29 -0.568 25.019 17.742 1.00 71.04 C ATOM 288 ND1 HIS A 29 0.764 24.777 18.005 1.00 53.23 N ATOM 289 CD2 HIS A 29 -0.754 26.345 17.938 1.00 51.22 C ATOM 290 CE1 HIS A 29 1.355 25.908 18.346 1.00 0.14 C ATOM 291 NE2 HIS A 29 0.456 26.875 18.313 1.00 11.01 N ATOM 0 H HIS A 29 -2.316 21.592 16.698 1.00 32.21 H new ATOM 0 HA HIS A 29 -0.601 22.693 18.805 1.00 5.31 H new ATOM 0 HB2 HIS A 29 -1.264 23.603 16.325 1.00 50.22 H new ATOM 0 HB3 HIS A 29 -2.529 24.370 17.265 1.00 50.22 H new ATOM 0 HD2 HIS A 29 -1.682 26.886 17.821 1.00 51.22 H new ATOM 0 HE1 HIS A 29 2.397 26.023 18.607 1.00 0.14 H new ATOM 0 HE2 HIS A 29 0.632 27.856 18.531 1.00 11.01 H new ATOM 299 N LYS A 30 -3.318 21.806 19.643 1.00 25.21 N ATOM 300 CA LYS A 30 -4.407 21.828 20.612 1.00 73.24 C ATOM 301 C LYS A 30 -5.568 22.678 20.105 1.00 31.12 C ATOM 302 O LYS A 30 -6.110 23.506 20.837 1.00 15.22 O ATOM 303 CB LYS A 30 -3.912 22.369 21.955 1.00 55.53 C ATOM 304 CG LYS A 30 -2.639 21.704 22.447 1.00 43.33 C ATOM 305 CD LYS A 30 -2.510 21.796 23.958 1.00 61.50 C ATOM 306 CE LYS A 30 -1.054 21.767 24.396 1.00 44.40 C ATOM 307 NZ LYS A 30 -0.694 22.965 25.205 1.00 55.01 N ATOM 0 H LYS A 30 -3.107 20.882 19.267 1.00 25.21 H new ATOM 0 HA LYS A 30 -4.760 20.806 20.748 1.00 73.24 H new ATOM 0 HB2 LYS A 30 -3.740 23.441 21.864 1.00 55.53 H new ATOM 0 HB3 LYS A 30 -4.694 22.234 22.702 1.00 55.53 H new ATOM 0 HG2 LYS A 30 -2.634 20.657 22.144 1.00 43.33 H new ATOM 0 HG3 LYS A 30 -1.776 22.176 21.978 1.00 43.33 H new ATOM 0 HD2 LYS A 30 -2.978 22.716 24.309 1.00 61.50 H new ATOM 0 HD3 LYS A 30 -3.047 20.968 24.421 1.00 61.50 H new ATOM 0 HE2 LYS A 30 -0.868 20.865 24.980 1.00 44.40 H new ATOM 0 HE3 LYS A 30 -0.411 21.716 23.517 1.00 44.40 H new ATOM 0 HZ1 LYS A 30 0.306 22.908 25.484 1.00 55.01 H new ATOM 0 HZ2 LYS A 30 -0.847 23.824 24.640 1.00 55.01 H new ATOM 0 HZ3 LYS A 30 -1.290 23.000 26.057 1.00 55.01 H new ATOM 321 N LYS A 31 -5.946 22.467 18.849 1.00 31.10 N ATOM 322 CA LYS A 31 -7.045 23.211 18.245 1.00 44.33 C ATOM 323 C LYS A 31 -8.330 23.031 19.046 1.00 60.41 C ATOM 324 O LYS A 31 -8.788 23.954 19.719 1.00 22.33 O ATOM 325 CB LYS A 31 -7.263 22.755 16.800 1.00 11.43 C ATOM 326 CG LYS A 31 -8.529 23.312 16.172 1.00 44.35 C ATOM 327 CD LYS A 31 -8.732 22.780 14.763 1.00 41.53 C ATOM 328 CE LYS A 31 -8.762 23.907 13.741 1.00 64.43 C ATOM 329 NZ LYS A 31 -10.104 24.547 13.660 1.00 63.12 N ATOM 0 H LYS A 31 -5.507 21.786 18.229 1.00 31.10 H new ATOM 0 HA LYS A 31 -6.781 24.268 18.250 1.00 44.33 H new ATOM 0 HB2 LYS A 31 -6.406 23.058 16.199 1.00 11.43 H new ATOM 0 HB3 LYS A 31 -7.303 21.666 16.773 1.00 11.43 H new ATOM 0 HG2 LYS A 31 -9.388 23.049 16.789 1.00 44.35 H new ATOM 0 HG3 LYS A 31 -8.476 24.400 16.147 1.00 44.35 H new ATOM 0 HD2 LYS A 31 -7.930 22.085 14.516 1.00 41.53 H new ATOM 0 HD3 LYS A 31 -9.665 22.219 14.716 1.00 41.53 H new ATOM 0 HE2 LYS A 31 -8.017 24.657 14.006 1.00 64.43 H new ATOM 0 HE3 LYS A 31 -8.486 23.516 12.761 1.00 64.43 H new ATOM 0 HZ1 LYS A 31 -10.083 25.309 12.953 1.00 63.12 H new ATOM 0 HZ2 LYS A 31 -10.811 23.837 13.382 1.00 63.12 H new ATOM 0 HZ3 LYS A 31 -10.357 24.942 14.588 1.00 63.12 H new ATOM 343 N SER A 32 -8.907 21.835 18.969 1.00 4.44 N ATOM 344 CA SER A 32 -10.141 21.535 19.686 1.00 64.22 C ATOM 345 C SER A 32 -10.011 20.231 20.468 1.00 40.12 C ATOM 346 O SER A 32 -9.849 20.240 21.688 1.00 0.01 O ATOM 347 CB SER A 32 -11.313 21.442 18.708 1.00 73.32 C ATOM 348 OG SER A 32 -12.189 22.546 18.854 1.00 3.35 O ATOM 0 H SER A 32 -8.540 21.059 18.418 1.00 4.44 H new ATOM 0 HA SER A 32 -10.329 22.344 20.392 1.00 64.22 H new ATOM 0 HB2 SER A 32 -10.936 21.406 17.686 1.00 73.32 H new ATOM 0 HB3 SER A 32 -11.860 20.515 18.879 1.00 73.32 H new ATOM 0 HG SER A 32 -12.929 22.463 18.216 1.00 3.35 H new ATOM 354 N ARG A 33 -10.084 19.112 19.755 1.00 24.44 N ATOM 355 CA ARG A 33 -9.976 17.799 20.381 1.00 1.34 C ATOM 356 C ARG A 33 -9.470 16.761 19.384 1.00 13.01 C ATOM 357 O ARG A 33 -8.303 16.370 19.418 1.00 72.04 O ATOM 358 CB ARG A 33 -11.331 17.365 20.942 1.00 14.54 C ATOM 359 CG ARG A 33 -11.505 17.671 22.421 1.00 3.51 C ATOM 360 CD ARG A 33 -10.523 16.881 23.272 1.00 35.23 C ATOM 361 NE ARG A 33 -9.429 17.714 23.763 1.00 14.43 N ATOM 362 CZ ARG A 33 -8.645 17.374 24.780 1.00 70.22 C ATOM 363 NH1 ARG A 33 -8.833 16.222 25.409 1.00 2.24 N ATOM 364 NH2 ARG A 33 -7.670 18.186 25.168 1.00 31.22 N ATOM 0 H ARG A 33 -10.217 19.088 18.744 1.00 24.44 H new ATOM 0 HA ARG A 33 -9.259 17.872 21.198 1.00 1.34 H new ATOM 0 HB2 ARG A 33 -12.123 17.862 20.381 1.00 14.54 H new ATOM 0 HB3 ARG A 33 -11.453 16.293 20.785 1.00 14.54 H new ATOM 0 HG2 ARG A 33 -11.361 18.738 22.592 1.00 3.51 H new ATOM 0 HG3 ARG A 33 -12.525 17.434 22.725 1.00 3.51 H new ATOM 0 HD2 ARG A 33 -11.050 16.440 24.118 1.00 35.23 H new ATOM 0 HD3 ARG A 33 -10.116 16.057 22.685 1.00 35.23 H new ATOM 0 HE ARG A 33 -9.257 18.606 23.300 1.00 14.43 H new ATOM 0 HH11 ARG A 33 -9.581 15.595 25.112 1.00 2.24 H new ATOM 0 HH12 ARG A 33 -8.230 15.963 26.190 1.00 2.24 H new ATOM 0 HH21 ARG A 33 -7.522 19.072 24.685 1.00 31.22 H new ATOM 0 HH22 ARG A 33 -7.069 17.924 25.949 1.00 31.22 H new ATOM 378 N TYR A 34 -10.356 16.319 18.499 1.00 71.53 N ATOM 379 CA TYR A 34 -10.001 15.324 17.494 1.00 63.42 C ATOM 380 C TYR A 34 -10.751 15.575 16.189 1.00 22.13 C ATOM 381 O TYR A 34 -11.822 16.182 16.182 1.00 21.31 O ATOM 382 CB TYR A 34 -10.307 13.916 18.009 1.00 55.25 C ATOM 383 CG TYR A 34 -11.768 13.695 18.332 1.00 22.22 C ATOM 384 CD1 TYR A 34 -12.669 13.318 17.344 1.00 51.52 C ATOM 385 CD2 TYR A 34 -12.246 13.863 19.626 1.00 74.34 C ATOM 386 CE1 TYR A 34 -14.004 13.116 17.635 1.00 74.44 C ATOM 387 CE2 TYR A 34 -13.580 13.661 19.926 1.00 64.43 C ATOM 388 CZ TYR A 34 -14.455 13.287 18.927 1.00 44.41 C ATOM 389 OH TYR A 34 -15.784 13.087 19.222 1.00 63.44 O ATOM 0 H TYR A 34 -11.325 16.634 18.457 1.00 71.53 H new ATOM 0 HA TYR A 34 -8.932 15.408 17.299 1.00 63.42 H new ATOM 0 HB2 TYR A 34 -9.995 13.188 17.260 1.00 55.25 H new ATOM 0 HB3 TYR A 34 -9.713 13.728 18.903 1.00 55.25 H new ATOM 0 HD1 TYR A 34 -12.320 13.181 16.331 1.00 51.52 H new ATOM 0 HD2 TYR A 34 -11.564 14.156 20.410 1.00 74.34 H new ATOM 0 HE1 TYR A 34 -14.691 12.825 16.854 1.00 74.44 H new ATOM 0 HE2 TYR A 34 -13.935 13.795 20.937 1.00 64.43 H new ATOM 0 HH TYR A 34 -15.935 13.248 20.177 1.00 63.44 H new ATOM 399 N VAL A 35 -10.180 15.103 15.086 1.00 62.34 N ATOM 400 CA VAL A 35 -10.794 15.274 13.774 1.00 24.52 C ATOM 401 C VAL A 35 -10.817 13.959 13.003 1.00 71.31 C ATOM 402 O VAL A 35 -9.794 13.287 12.871 1.00 62.41 O ATOM 403 CB VAL A 35 -10.049 16.332 12.940 1.00 41.44 C ATOM 404 CG1 VAL A 35 -10.141 17.698 13.604 1.00 72.34 C ATOM 405 CG2 VAL A 35 -8.597 15.926 12.737 1.00 30.11 C ATOM 0 H VAL A 35 -9.293 14.599 15.074 1.00 62.34 H new ATOM 0 HA VAL A 35 -11.817 15.610 13.944 1.00 24.52 H new ATOM 0 HB VAL A 35 -10.524 16.397 11.961 1.00 41.44 H new ATOM 0 HG11 VAL A 35 -9.609 18.433 13.000 1.00 72.34 H new ATOM 0 HG12 VAL A 35 -11.187 17.990 13.692 1.00 72.34 H new ATOM 0 HG13 VAL A 35 -9.693 17.651 14.597 1.00 72.34 H new ATOM 0 HG21 VAL A 35 -8.086 16.686 12.145 1.00 30.11 H new ATOM 0 HG22 VAL A 35 -8.107 15.830 13.706 1.00 30.11 H new ATOM 0 HG23 VAL A 35 -8.556 14.971 12.214 1.00 30.11 H new ATOM 415 N ILE A 36 -11.991 13.598 12.495 1.00 22.01 N ATOM 416 CA ILE A 36 -12.147 12.364 11.735 1.00 30.02 C ATOM 417 C ILE A 36 -12.345 12.654 10.251 1.00 21.52 C ATOM 418 O ILE A 36 -13.115 13.538 9.878 1.00 33.25 O ATOM 419 CB ILE A 36 -13.339 11.534 12.248 1.00 3.02 C ATOM 420 CG1 ILE A 36 -13.343 11.499 13.778 1.00 52.22 C ATOM 421 CG2 ILE A 36 -13.285 10.123 11.681 1.00 42.41 C ATOM 422 CD1 ILE A 36 -14.476 10.683 14.360 1.00 1.23 C ATOM 0 H ILE A 36 -12.848 14.143 12.596 1.00 22.01 H new ATOM 0 HA ILE A 36 -11.230 11.791 11.872 1.00 30.02 H new ATOM 0 HB ILE A 36 -14.263 12.005 11.911 1.00 3.02 H new ATOM 0 HG12 ILE A 36 -12.395 11.090 14.127 1.00 52.22 H new ATOM 0 HG13 ILE A 36 -13.409 12.519 14.157 1.00 52.22 H new ATOM 0 HG21 ILE A 36 -14.134 9.549 12.053 1.00 42.41 H new ATOM 0 HG22 ILE A 36 -13.325 10.166 10.593 1.00 42.41 H new ATOM 0 HG23 ILE A 36 -12.358 9.642 11.991 1.00 42.41 H new ATOM 0 HD11 ILE A 36 -14.417 10.702 15.448 1.00 1.23 H new ATOM 0 HD12 ILE A 36 -15.429 11.105 14.041 1.00 1.23 H new ATOM 0 HD13 ILE A 36 -14.400 9.653 14.011 1.00 1.23 H new ATOM 434 N MET A 37 -11.645 11.901 9.409 1.00 71.24 N ATOM 435 CA MET A 37 -11.746 12.075 7.964 1.00 34.23 C ATOM 436 C MET A 37 -11.888 10.728 7.263 1.00 34.41 C ATOM 437 O MET A 37 -11.484 9.694 7.796 1.00 72.42 O ATOM 438 CB MET A 37 -10.518 12.814 7.431 1.00 64.33 C ATOM 439 CG MET A 37 -10.415 14.251 7.914 1.00 13.13 C ATOM 440 SD MET A 37 -8.890 14.572 8.821 1.00 33.13 S ATOM 441 CE MET A 37 -8.957 13.282 10.063 1.00 50.43 C ATOM 0 H MET A 37 -11.002 11.165 9.702 1.00 71.24 H new ATOM 0 HA MET A 37 -12.636 12.668 7.756 1.00 34.23 H new ATOM 0 HB2 MET A 37 -9.620 12.273 7.731 1.00 64.33 H new ATOM 0 HB3 MET A 37 -10.545 12.807 6.341 1.00 64.33 H new ATOM 0 HG2 MET A 37 -10.472 14.923 7.058 1.00 13.13 H new ATOM 0 HG3 MET A 37 -11.268 14.477 8.554 1.00 13.13 H new ATOM 0 HE1 MET A 37 -8.158 13.434 10.788 1.00 50.43 H new ATOM 0 HE2 MET A 37 -9.920 13.317 10.572 1.00 50.43 H new ATOM 0 HE3 MET A 37 -8.834 12.310 9.585 1.00 50.43 H new ATOM 451 N HIS A 38 -12.465 10.747 6.066 1.00 73.44 N ATOM 452 CA HIS A 38 -12.660 9.526 5.291 1.00 31.25 C ATOM 453 C HIS A 38 -12.187 9.713 3.853 1.00 11.31 C ATOM 454 O HIS A 38 -11.922 10.834 3.418 1.00 5.33 O ATOM 455 CB HIS A 38 -14.133 9.117 5.307 1.00 32.40 C ATOM 456 CG HIS A 38 -15.009 10.001 4.474 1.00 14.25 C ATOM 457 ND1 HIS A 38 -15.899 9.515 3.540 1.00 62.32 N ATOM 458 CD2 HIS A 38 -15.130 11.349 4.441 1.00 35.12 C ATOM 459 CE1 HIS A 38 -16.528 10.525 2.966 1.00 1.03 C ATOM 460 NE2 HIS A 38 -16.080 11.649 3.496 1.00 52.21 N ATOM 0 H HIS A 38 -12.806 11.594 5.611 1.00 73.44 H new ATOM 0 HA HIS A 38 -12.066 8.735 5.750 1.00 31.25 H new ATOM 0 HB2 HIS A 38 -14.221 8.091 4.949 1.00 32.40 H new ATOM 0 HB3 HIS A 38 -14.493 9.128 6.336 1.00 32.40 H new ATOM 0 HD2 HIS A 38 -14.582 12.056 5.045 1.00 35.12 H new ATOM 0 HE1 HIS A 38 -17.280 10.445 2.195 1.00 1.03 H new ATOM 0 HE2 HIS A 38 -16.390 12.588 3.244 1.00 52.21 H new ATOM 468 N ILE A 39 -12.084 8.609 3.121 1.00 44.41 N ATOM 469 CA ILE A 39 -11.643 8.653 1.732 1.00 0.11 C ATOM 470 C ILE A 39 -12.812 8.929 0.793 1.00 72.32 C ATOM 471 O ILE A 39 -13.812 8.210 0.801 1.00 41.21 O ATOM 472 CB ILE A 39 -10.964 7.335 1.315 1.00 1.13 C ATOM 473 CG1 ILE A 39 -9.889 6.946 2.332 1.00 32.24 C ATOM 474 CG2 ILE A 39 -10.362 7.466 -0.076 1.00 4.44 C ATOM 475 CD1 ILE A 39 -9.147 5.678 1.972 1.00 33.22 C ATOM 0 H ILE A 39 -12.300 7.674 3.466 1.00 44.41 H new ATOM 0 HA ILE A 39 -10.919 9.465 1.656 1.00 0.11 H new ATOM 0 HB ILE A 39 -11.717 6.547 1.291 1.00 1.13 H new ATOM 0 HG12 ILE A 39 -9.173 7.763 2.422 1.00 32.24 H new ATOM 0 HG13 ILE A 39 -10.354 6.820 3.310 1.00 32.24 H new ATOM 0 HG21 ILE A 39 -9.886 6.526 -0.356 1.00 4.44 H new ATOM 0 HG22 ILE A 39 -11.149 7.702 -0.792 1.00 4.44 H new ATOM 0 HG23 ILE A 39 -9.619 8.264 -0.077 1.00 4.44 H new ATOM 0 HD11 ILE A 39 -8.401 5.463 2.737 1.00 33.22 H new ATOM 0 HD12 ILE A 39 -9.852 4.849 1.910 1.00 33.22 H new ATOM 0 HD13 ILE A 39 -8.653 5.807 1.009 1.00 33.22 H new ATOM 487 N VAL A 40 -12.679 9.974 -0.018 1.00 33.40 N ATOM 488 CA VAL A 40 -13.723 10.343 -0.966 1.00 53.13 C ATOM 489 C VAL A 40 -13.305 10.022 -2.397 1.00 1.22 C ATOM 490 O VAL A 40 -12.210 10.381 -2.830 1.00 3.35 O ATOM 491 CB VAL A 40 -14.067 11.841 -0.867 1.00 43.34 C ATOM 492 CG1 VAL A 40 -15.225 12.186 -1.791 1.00 34.24 C ATOM 493 CG2 VAL A 40 -14.389 12.220 0.570 1.00 31.23 C ATOM 0 H VAL A 40 -11.859 10.580 -0.037 1.00 33.40 H new ATOM 0 HA VAL A 40 -14.606 9.757 -0.709 1.00 53.13 H new ATOM 0 HB VAL A 40 -13.198 12.417 -1.184 1.00 43.34 H new ATOM 0 HG11 VAL A 40 -15.453 13.248 -1.707 1.00 34.24 H new ATOM 0 HG12 VAL A 40 -14.951 11.954 -2.820 1.00 34.24 H new ATOM 0 HG13 VAL A 40 -16.102 11.603 -1.509 1.00 34.24 H new ATOM 0 HG21 VAL A 40 -14.630 13.282 0.621 1.00 31.23 H new ATOM 0 HG22 VAL A 40 -15.242 11.637 0.917 1.00 31.23 H new ATOM 0 HG23 VAL A 40 -13.526 12.013 1.203 1.00 31.23 H new ATOM 503 N ASP A 41 -14.184 9.345 -3.126 1.00 72.44 N ATOM 504 CA ASP A 41 -13.907 8.976 -4.510 1.00 13.11 C ATOM 505 C ASP A 41 -12.699 8.048 -4.594 1.00 12.42 C ATOM 506 O ASP A 41 -12.123 7.860 -5.665 1.00 12.21 O ATOM 507 CB ASP A 41 -13.664 10.228 -5.355 1.00 34.23 C ATOM 508 CG ASP A 41 -14.703 10.400 -6.446 1.00 2.44 C ATOM 509 OD1 ASP A 41 -14.708 9.587 -7.393 1.00 40.43 O ATOM 510 OD2 ASP A 41 -15.510 11.349 -6.352 1.00 41.23 O ATOM 0 H ASP A 41 -15.095 9.040 -2.782 1.00 72.44 H new ATOM 0 HA ASP A 41 -14.776 8.447 -4.900 1.00 13.11 H new ATOM 0 HB2 ASP A 41 -13.671 11.106 -4.709 1.00 34.23 H new ATOM 0 HB3 ASP A 41 -12.673 10.172 -5.806 1.00 34.23 H new ATOM 515 N GLN A 42 -12.321 7.473 -3.457 1.00 34.11 N ATOM 516 CA GLN A 42 -11.181 6.566 -3.402 1.00 45.44 C ATOM 517 C GLN A 42 -9.970 7.172 -4.105 1.00 40.10 C ATOM 518 O GLN A 42 -9.150 6.456 -4.681 1.00 54.42 O ATOM 519 CB GLN A 42 -11.538 5.224 -4.043 1.00 21.02 C ATOM 520 CG GLN A 42 -12.716 4.528 -3.380 1.00 3.11 C ATOM 521 CD GLN A 42 -13.384 3.516 -4.290 1.00 45.43 C ATOM 522 OE1 GLN A 42 -13.954 3.873 -5.321 1.00 53.53 O ATOM 523 NE2 GLN A 42 -13.316 2.245 -3.913 1.00 64.04 N ATOM 0 H GLN A 42 -12.787 7.619 -2.562 1.00 34.11 H new ATOM 0 HA GLN A 42 -10.928 6.404 -2.354 1.00 45.44 H new ATOM 0 HB2 GLN A 42 -11.767 5.383 -5.097 1.00 21.02 H new ATOM 0 HB3 GLN A 42 -10.669 4.568 -4.001 1.00 21.02 H new ATOM 0 HG2 GLN A 42 -12.374 4.027 -2.475 1.00 3.11 H new ATOM 0 HG3 GLN A 42 -13.449 5.275 -3.074 1.00 3.11 H new ATOM 0 HE21 GLN A 42 -12.833 1.994 -3.050 1.00 64.04 H new ATOM 0 HE22 GLN A 42 -13.747 1.519 -4.486 1.00 64.04 H new ATOM 532 N LYS A 43 -9.863 8.496 -4.054 1.00 34.41 N ATOM 533 CA LYS A 43 -8.753 9.199 -4.684 1.00 43.12 C ATOM 534 C LYS A 43 -8.317 10.394 -3.842 1.00 53.00 C ATOM 535 O LYS A 43 -7.124 10.655 -3.687 1.00 73.34 O ATOM 536 CB LYS A 43 -9.149 9.667 -6.086 1.00 45.15 C ATOM 537 CG LYS A 43 -9.187 8.548 -7.113 1.00 11.21 C ATOM 538 CD LYS A 43 -9.958 8.959 -8.356 1.00 62.54 C ATOM 539 CE LYS A 43 -9.371 8.328 -9.610 1.00 24.54 C ATOM 540 NZ LYS A 43 -8.635 9.322 -10.439 1.00 31.01 N ATOM 0 H LYS A 43 -10.533 9.104 -3.582 1.00 34.41 H new ATOM 0 HA LYS A 43 -7.915 8.507 -4.762 1.00 43.12 H new ATOM 0 HB2 LYS A 43 -10.130 10.139 -6.039 1.00 45.15 H new ATOM 0 HB3 LYS A 43 -8.444 10.430 -6.418 1.00 45.15 H new ATOM 0 HG2 LYS A 43 -8.169 8.272 -7.389 1.00 11.21 H new ATOM 0 HG3 LYS A 43 -9.649 7.664 -6.673 1.00 11.21 H new ATOM 0 HD2 LYS A 43 -11.002 8.663 -8.253 1.00 62.54 H new ATOM 0 HD3 LYS A 43 -9.943 10.045 -8.452 1.00 62.54 H new ATOM 0 HE2 LYS A 43 -8.696 7.520 -9.328 1.00 24.54 H new ATOM 0 HE3 LYS A 43 -10.171 7.883 -10.202 1.00 24.54 H new ATOM 0 HZ1 LYS A 43 -8.250 8.853 -11.284 1.00 31.01 H new ATOM 0 HZ2 LYS A 43 -9.284 10.080 -10.730 1.00 31.01 H new ATOM 0 HZ3 LYS A 43 -7.855 9.728 -9.883 1.00 31.01 H new ATOM 554 N SER A 44 -9.292 11.116 -3.299 1.00 32.03 N ATOM 555 CA SER A 44 -9.009 12.285 -2.474 1.00 32.32 C ATOM 556 C SER A 44 -9.698 12.172 -1.117 1.00 74.03 C ATOM 557 O SER A 44 -10.908 11.953 -1.040 1.00 24.13 O ATOM 558 CB SER A 44 -9.465 13.560 -3.186 1.00 21.04 C ATOM 559 OG SER A 44 -8.374 14.212 -3.812 1.00 62.35 O ATOM 0 H SER A 44 -10.285 10.912 -3.415 1.00 32.03 H new ATOM 0 HA SER A 44 -7.932 12.333 -2.312 1.00 32.32 H new ATOM 0 HB2 SER A 44 -10.222 13.314 -3.931 1.00 21.04 H new ATOM 0 HB3 SER A 44 -9.932 14.234 -2.468 1.00 21.04 H new ATOM 0 HG SER A 44 -8.692 15.023 -4.261 1.00 62.35 H new ATOM 565 N ILE A 45 -8.920 12.323 -0.051 1.00 50.11 N ATOM 566 CA ILE A 45 -9.455 12.239 1.302 1.00 4.53 C ATOM 567 C ILE A 45 -10.106 13.554 1.718 1.00 10.03 C ATOM 568 O ILE A 45 -9.523 14.626 1.556 1.00 33.34 O ATOM 569 CB ILE A 45 -8.356 11.879 2.320 1.00 14.11 C ATOM 570 CG1 ILE A 45 -7.632 10.601 1.891 1.00 15.22 C ATOM 571 CG2 ILE A 45 -8.955 11.715 3.709 1.00 21.51 C ATOM 572 CD1 ILE A 45 -6.516 10.195 2.828 1.00 14.42 C ATOM 0 H ILE A 45 -7.917 12.504 -0.098 1.00 50.11 H new ATOM 0 HA ILE A 45 -10.207 11.450 1.296 1.00 4.53 H new ATOM 0 HB ILE A 45 -7.630 12.691 2.352 1.00 14.11 H new ATOM 0 HG12 ILE A 45 -8.355 9.788 1.826 1.00 15.22 H new ATOM 0 HG13 ILE A 45 -7.222 10.743 0.891 1.00 15.22 H new ATOM 0 HG21 ILE A 45 -8.167 11.461 4.418 1.00 21.51 H new ATOM 0 HG22 ILE A 45 -9.429 12.648 4.013 1.00 21.51 H new ATOM 0 HG23 ILE A 45 -9.699 10.918 3.693 1.00 21.51 H new ATOM 0 HD11 ILE A 45 -6.048 9.281 2.462 1.00 14.42 H new ATOM 0 HD12 ILE A 45 -5.772 10.991 2.874 1.00 14.42 H new ATOM 0 HD13 ILE A 45 -6.923 10.020 3.824 1.00 14.42 H new ATOM 584 N ALA A 46 -11.318 13.463 2.257 1.00 43.34 N ATOM 585 CA ALA A 46 -12.047 14.645 2.700 1.00 71.11 C ATOM 586 C ALA A 46 -12.569 14.467 4.121 1.00 32.55 C ATOM 587 O ALA A 46 -12.684 13.345 4.615 1.00 32.32 O ATOM 588 CB ALA A 46 -13.195 14.944 1.747 1.00 13.35 C ATOM 0 H ALA A 46 -11.815 12.583 2.397 1.00 43.34 H new ATOM 0 HA ALA A 46 -11.358 15.489 2.698 1.00 71.11 H new ATOM 0 HB1 ALA A 46 -13.731 15.829 2.090 1.00 13.35 H new ATOM 0 HB2 ALA A 46 -12.800 15.123 0.747 1.00 13.35 H new ATOM 0 HB3 ALA A 46 -13.877 14.094 1.721 1.00 13.35 H new ATOM 594 N VAL A 47 -12.884 15.580 4.776 1.00 45.24 N ATOM 595 CA VAL A 47 -13.394 15.547 6.141 1.00 61.30 C ATOM 596 C VAL A 47 -14.835 15.050 6.177 1.00 41.21 C ATOM 597 O VAL A 47 -15.654 15.426 5.339 1.00 53.44 O ATOM 598 CB VAL A 47 -13.325 16.937 6.800 1.00 0.02 C ATOM 599 CG1 VAL A 47 -14.183 17.934 6.036 1.00 64.23 C ATOM 600 CG2 VAL A 47 -13.756 16.857 8.257 1.00 40.41 C ATOM 0 H VAL A 47 -12.795 16.517 4.382 1.00 45.24 H new ATOM 0 HA VAL A 47 -12.761 14.857 6.699 1.00 61.30 H new ATOM 0 HB VAL A 47 -12.292 17.284 6.768 1.00 0.02 H new ATOM 0 HG11 VAL A 47 -14.122 18.910 6.517 1.00 64.23 H new ATOM 0 HG12 VAL A 47 -13.824 18.012 5.010 1.00 64.23 H new ATOM 0 HG13 VAL A 47 -15.219 17.595 6.033 1.00 64.23 H new ATOM 0 HG21 VAL A 47 -13.701 17.848 8.708 1.00 40.41 H new ATOM 0 HG22 VAL A 47 -14.780 16.489 8.314 1.00 40.41 H new ATOM 0 HG23 VAL A 47 -13.096 16.177 8.795 1.00 40.41 H new ATOM 610 N LYS A 48 -15.139 14.203 7.154 1.00 25.41 N ATOM 611 CA LYS A 48 -16.481 13.654 7.302 1.00 15.44 C ATOM 612 C LYS A 48 -17.186 14.259 8.513 1.00 44.53 C ATOM 613 O LYS A 48 -18.299 14.775 8.404 1.00 61.44 O ATOM 614 CB LYS A 48 -16.420 12.132 7.443 1.00 33.21 C ATOM 615 CG LYS A 48 -17.558 11.410 6.742 1.00 12.01 C ATOM 616 CD LYS A 48 -17.389 9.902 6.812 1.00 64.43 C ATOM 617 CE LYS A 48 -18.509 9.251 7.608 1.00 32.03 C ATOM 618 NZ LYS A 48 -19.640 8.832 6.735 1.00 61.05 N ATOM 0 H LYS A 48 -14.473 13.881 7.856 1.00 25.41 H new ATOM 0 HA LYS A 48 -17.050 13.907 6.407 1.00 15.44 H new ATOM 0 HB2 LYS A 48 -15.472 11.776 7.040 1.00 33.21 H new ATOM 0 HB3 LYS A 48 -16.434 11.873 8.502 1.00 33.21 H new ATOM 0 HG2 LYS A 48 -18.506 11.692 7.200 1.00 12.01 H new ATOM 0 HG3 LYS A 48 -17.602 11.724 5.699 1.00 12.01 H new ATOM 0 HD2 LYS A 48 -17.371 9.490 5.803 1.00 64.43 H new ATOM 0 HD3 LYS A 48 -16.429 9.663 7.271 1.00 64.43 H new ATOM 0 HE2 LYS A 48 -18.119 8.383 8.139 1.00 32.03 H new ATOM 0 HE3 LYS A 48 -18.872 9.949 8.362 1.00 32.03 H new ATOM 0 HZ1 LYS A 48 -20.383 8.393 7.316 1.00 61.05 H new ATOM 0 HZ2 LYS A 48 -20.029 9.664 6.247 1.00 61.05 H new ATOM 0 HZ3 LYS A 48 -19.300 8.146 6.031 1.00 61.05 H new ATOM 632 N THR A 49 -16.529 14.195 9.667 1.00 12.30 N ATOM 633 CA THR A 49 -17.092 14.737 10.897 1.00 21.15 C ATOM 634 C THR A 49 -16.015 14.921 11.960 1.00 2.22 C ATOM 635 O THR A 49 -15.338 13.967 12.343 1.00 64.41 O ATOM 636 CB THR A 49 -18.199 13.825 11.458 1.00 73.51 C ATOM 637 OG1 THR A 49 -19.335 13.841 10.587 1.00 54.15 O ATOM 638 CG2 THR A 49 -18.616 14.272 12.851 1.00 43.10 C ATOM 0 H THR A 49 -15.607 13.773 9.775 1.00 12.30 H new ATOM 0 HA THR A 49 -17.522 15.707 10.647 1.00 21.15 H new ATOM 0 HB THR A 49 -17.805 12.811 11.522 1.00 73.51 H new ATOM 0 HG1 THR A 49 -19.188 14.493 9.870 1.00 54.15 H new ATOM 0 HG21 THR A 49 -19.399 13.612 13.226 1.00 43.10 H new ATOM 0 HG22 THR A 49 -17.756 14.230 13.519 1.00 43.10 H new ATOM 0 HG23 THR A 49 -18.993 15.294 12.808 1.00 43.10 H new ATOM 646 N ILE A 50 -15.862 16.153 12.434 1.00 40.35 N ATOM 647 CA ILE A 50 -14.868 16.461 13.454 1.00 42.30 C ATOM 648 C ILE A 50 -15.500 16.507 14.841 1.00 43.50 C ATOM 649 O ILE A 50 -16.661 16.885 14.993 1.00 23.34 O ATOM 650 CB ILE A 50 -14.172 17.806 13.174 1.00 1.42 C ATOM 651 CG1 ILE A 50 -15.211 18.901 12.924 1.00 74.12 C ATOM 652 CG2 ILE A 50 -13.232 17.679 11.985 1.00 42.12 C ATOM 653 CD1 ILE A 50 -14.623 20.294 12.876 1.00 21.41 C ATOM 0 H ILE A 50 -16.414 16.954 12.128 1.00 40.35 H new ATOM 0 HA ILE A 50 -14.125 15.664 13.422 1.00 42.30 H new ATOM 0 HB ILE A 50 -13.584 18.082 14.049 1.00 1.42 H new ATOM 0 HG12 ILE A 50 -15.721 18.698 11.982 1.00 74.12 H new ATOM 0 HG13 ILE A 50 -15.965 18.861 13.710 1.00 74.12 H new ATOM 0 HG21 ILE A 50 -12.748 18.638 11.800 1.00 42.12 H new ATOM 0 HG22 ILE A 50 -12.474 16.925 12.199 1.00 42.12 H new ATOM 0 HG23 ILE A 50 -13.799 17.383 11.103 1.00 42.12 H new ATOM 0 HD11 ILE A 50 -15.417 21.018 12.695 1.00 21.41 H new ATOM 0 HD12 ILE A 50 -14.138 20.517 13.826 1.00 21.41 H new ATOM 0 HD13 ILE A 50 -13.890 20.352 12.072 1.00 21.41 H new ATOM 665 N GLY A 51 -14.726 16.122 15.851 1.00 1.13 N ATOM 666 CA GLY A 51 -15.226 16.129 17.213 1.00 34.45 C ATOM 667 C GLY A 51 -15.493 17.530 17.727 1.00 63.23 C ATOM 668 O GLY A 51 -16.616 17.854 18.109 1.00 33.24 O ATOM 0 H GLY A 51 -13.762 15.805 15.750 1.00 1.13 H new ATOM 0 HA2 GLY A 51 -16.146 15.546 17.262 1.00 34.45 H new ATOM 0 HA3 GLY A 51 -14.503 15.638 17.864 1.00 34.45 H new ATOM 672 N GLU A 52 -14.456 18.362 17.736 1.00 20.12 N ATOM 673 CA GLU A 52 -14.584 19.735 18.209 1.00 10.32 C ATOM 674 C GLU A 52 -14.927 19.769 19.696 1.00 52.03 C ATOM 675 O GLU A 52 -16.095 19.872 20.072 1.00 41.52 O ATOM 676 CB GLU A 52 -15.658 20.475 17.410 1.00 53.54 C ATOM 677 CG GLU A 52 -15.604 20.199 15.916 1.00 11.44 C ATOM 678 CD GLU A 52 -16.722 20.885 15.155 1.00 11.34 C ATOM 679 OE1 GLU A 52 -16.670 22.125 15.013 1.00 72.43 O ATOM 680 OE2 GLU A 52 -17.649 20.182 14.702 1.00 31.53 O ATOM 0 H GLU A 52 -13.519 18.109 17.421 1.00 20.12 H new ATOM 0 HA GLU A 52 -13.625 20.233 18.064 1.00 10.32 H new ATOM 0 HB2 GLU A 52 -16.640 20.191 17.788 1.00 53.54 H new ATOM 0 HB3 GLU A 52 -15.549 21.547 17.577 1.00 53.54 H new ATOM 0 HG2 GLU A 52 -14.644 20.533 15.523 1.00 11.44 H new ATOM 0 HG3 GLU A 52 -15.661 19.124 15.747 1.00 11.44 H new ATOM 687 N ARG A 53 -13.901 19.680 20.536 1.00 53.31 N ATOM 688 CA ARG A 53 -14.094 19.699 21.981 1.00 64.30 C ATOM 689 C ARG A 53 -14.848 18.456 22.445 1.00 43.00 C ATOM 690 O ARG A 53 -15.408 18.430 23.540 1.00 24.01 O ATOM 691 CB ARG A 53 -14.856 20.957 22.399 1.00 12.15 C ATOM 692 CG ARG A 53 -14.067 21.868 23.325 1.00 3.03 C ATOM 693 CD ARG A 53 -14.233 23.330 22.942 1.00 5.34 C ATOM 694 NE ARG A 53 -15.288 23.982 23.714 1.00 61.25 N ATOM 695 CZ ARG A 53 -15.162 24.320 24.992 1.00 41.42 C ATOM 696 NH1 ARG A 53 -14.032 24.071 25.639 1.00 62.12 N ATOM 697 NH2 ARG A 53 -16.167 24.910 25.625 1.00 15.43 N ATOM 0 H ARG A 53 -12.928 19.594 20.241 1.00 53.31 H new ATOM 0 HA ARG A 53 -13.112 19.704 22.453 1.00 64.30 H new ATOM 0 HB2 ARG A 53 -15.136 21.515 21.506 1.00 12.15 H new ATOM 0 HB3 ARG A 53 -15.781 20.663 22.894 1.00 12.15 H new ATOM 0 HG2 ARG A 53 -14.399 21.720 24.353 1.00 3.03 H new ATOM 0 HG3 ARG A 53 -13.011 21.599 23.289 1.00 3.03 H new ATOM 0 HD2 ARG A 53 -13.291 23.855 23.100 1.00 5.34 H new ATOM 0 HD3 ARG A 53 -14.464 23.402 21.879 1.00 5.34 H new ATOM 0 HE ARG A 53 -16.170 24.189 23.246 1.00 61.25 H new ATOM 0 HH11 ARG A 53 -13.256 23.619 25.155 1.00 62.12 H new ATOM 0 HH12 ARG A 53 -13.938 24.332 26.621 1.00 62.12 H new ATOM 0 HH21 ARG A 53 -17.037 25.104 25.130 1.00 15.43 H new ATOM 0 HH22 ARG A 53 -16.069 25.169 26.607 1.00 15.43 H new ATOM 711 N GLY A 54 -14.858 17.427 21.603 1.00 51.23 N ATOM 712 CA GLY A 54 -15.547 16.196 21.944 1.00 42.12 C ATOM 713 C GLY A 54 -16.999 16.204 21.508 1.00 4.11 C ATOM 714 O GLY A 54 -17.899 16.377 22.329 1.00 41.30 O ATOM 0 H GLY A 54 -14.401 17.424 20.691 1.00 51.23 H new ATOM 0 HA2 GLY A 54 -15.035 15.355 21.476 1.00 42.12 H new ATOM 0 HA3 GLY A 54 -15.495 16.041 23.022 1.00 42.12 H new ATOM 718 N ALA A 55 -17.227 16.018 20.212 1.00 21.32 N ATOM 719 CA ALA A 55 -18.579 16.004 19.669 1.00 35.11 C ATOM 720 C ALA A 55 -19.488 15.086 20.481 1.00 45.14 C ATOM 721 O ALA A 55 -19.016 14.287 21.288 1.00 62.52 O ATOM 722 CB ALA A 55 -18.558 15.573 18.210 1.00 20.31 C ATOM 0 H ALA A 55 -16.492 15.875 19.519 1.00 21.32 H new ATOM 0 HA ALA A 55 -18.979 17.016 19.732 1.00 35.11 H new ATOM 0 HB1 ALA A 55 -19.575 15.567 17.818 1.00 20.31 H new ATOM 0 HB2 ALA A 55 -17.951 16.270 17.633 1.00 20.31 H new ATOM 0 HB3 ALA A 55 -18.133 14.572 18.132 1.00 20.31 H new ATOM 728 N ASN A 56 -20.793 15.208 20.261 1.00 23.31 N ATOM 729 CA ASN A 56 -21.767 14.389 20.974 1.00 51.34 C ATOM 730 C ASN A 56 -21.709 12.940 20.502 1.00 61.44 C ATOM 731 O ASN A 56 -21.273 12.656 19.386 1.00 71.24 O ATOM 732 CB ASN A 56 -23.178 14.947 20.772 1.00 65.15 C ATOM 733 CG ASN A 56 -24.187 14.322 21.715 1.00 60.21 C ATOM 734 OD1 ASN A 56 -25.233 13.834 21.288 1.00 73.24 O ATOM 735 ND2 ASN A 56 -23.877 14.334 23.006 1.00 3.31 N ATOM 0 H ASN A 56 -21.200 15.865 19.596 1.00 23.31 H new ATOM 0 HA ASN A 56 -21.521 14.417 22.035 1.00 51.34 H new ATOM 0 HB2 ASN A 56 -23.164 16.026 20.923 1.00 65.15 H new ATOM 0 HB3 ASN A 56 -23.491 14.773 19.742 1.00 65.15 H new ATOM 0 HD21 ASN A 56 -24.517 13.928 23.688 1.00 3.31 H new ATOM 0 HD22 ASN A 56 -22.998 14.749 23.316 1.00 3.31 H new ATOM 742 N PHE A 57 -22.152 12.026 21.359 1.00 64.21 N ATOM 743 CA PHE A 57 -22.150 10.605 21.030 1.00 2.03 C ATOM 744 C PHE A 57 -23.120 10.309 19.891 1.00 54.12 C ATOM 745 O PHE A 57 -22.889 9.410 19.082 1.00 54.21 O ATOM 746 CB PHE A 57 -22.522 9.775 22.261 1.00 62.13 C ATOM 747 CG PHE A 57 -21.391 8.933 22.780 1.00 13.52 C ATOM 748 CD1 PHE A 57 -20.747 8.028 21.953 1.00 72.21 C ATOM 749 CD2 PHE A 57 -20.973 9.048 24.096 1.00 31.23 C ATOM 750 CE1 PHE A 57 -19.706 7.252 22.428 1.00 52.23 C ATOM 751 CE2 PHE A 57 -19.933 8.275 24.577 1.00 44.35 C ATOM 752 CZ PHE A 57 -19.299 7.375 23.742 1.00 52.54 C ATOM 0 H PHE A 57 -22.517 12.244 22.286 1.00 64.21 H new ATOM 0 HA PHE A 57 -21.145 10.333 20.707 1.00 2.03 H new ATOM 0 HB2 PHE A 57 -22.859 10.444 23.052 1.00 62.13 H new ATOM 0 HB3 PHE A 57 -23.362 9.127 22.012 1.00 62.13 H new ATOM 0 HD1 PHE A 57 -21.062 7.927 20.925 1.00 72.21 H new ATOM 0 HD2 PHE A 57 -21.465 9.749 24.753 1.00 31.23 H new ATOM 0 HE1 PHE A 57 -19.212 6.550 21.772 1.00 52.23 H new ATOM 0 HE2 PHE A 57 -19.616 8.374 25.605 1.00 44.35 H new ATOM 0 HZ PHE A 57 -18.487 6.769 24.116 1.00 52.54 H new ATOM 762 N ASP A 58 -24.207 11.071 19.835 1.00 51.15 N ATOM 763 CA ASP A 58 -25.214 10.892 18.795 1.00 64.05 C ATOM 764 C ASP A 58 -24.660 11.286 17.429 1.00 41.12 C ATOM 765 O ASP A 58 -24.816 10.555 16.451 1.00 25.45 O ATOM 766 CB ASP A 58 -26.459 11.721 19.112 1.00 31.22 C ATOM 767 CG ASP A 58 -27.693 11.211 18.394 1.00 62.24 C ATOM 768 OD1 ASP A 58 -27.705 10.023 18.007 1.00 14.54 O ATOM 769 OD2 ASP A 58 -28.645 11.999 18.217 1.00 53.13 O ATOM 0 H ASP A 58 -24.413 11.819 20.498 1.00 51.15 H new ATOM 0 HA ASP A 58 -25.487 9.837 18.766 1.00 64.05 H new ATOM 0 HB2 ASP A 58 -26.637 11.708 20.187 1.00 31.22 H new ATOM 0 HB3 ASP A 58 -26.282 12.759 18.831 1.00 31.22 H new ATOM 774 N GLN A 59 -24.015 12.447 17.370 1.00 64.50 N ATOM 775 CA GLN A 59 -23.440 12.938 16.123 1.00 2.03 C ATOM 776 C GLN A 59 -22.171 12.170 15.769 1.00 62.11 C ATOM 777 O GLN A 59 -21.886 11.929 14.596 1.00 44.44 O ATOM 778 CB GLN A 59 -23.132 14.432 16.233 1.00 3.34 C ATOM 779 CG GLN A 59 -22.000 14.751 17.198 1.00 73.25 C ATOM 780 CD GLN A 59 -21.679 16.231 17.252 1.00 14.41 C ATOM 781 OE1 GLN A 59 -21.868 16.882 18.281 1.00 63.34 O ATOM 782 NE2 GLN A 59 -21.192 16.773 16.142 1.00 4.01 N ATOM 0 H GLN A 59 -23.878 13.064 18.170 1.00 64.50 H new ATOM 0 HA GLN A 59 -24.170 12.782 15.329 1.00 2.03 H new ATOM 0 HB2 GLN A 59 -22.875 14.815 15.245 1.00 3.34 H new ATOM 0 HB3 GLN A 59 -24.031 14.957 16.555 1.00 3.34 H new ATOM 0 HG2 GLN A 59 -22.270 14.405 18.196 1.00 73.25 H new ATOM 0 HG3 GLN A 59 -21.108 14.200 16.900 1.00 73.25 H new ATOM 0 HE21 GLN A 59 -21.051 16.197 15.312 1.00 4.01 H new ATOM 0 HE22 GLN A 59 -20.959 17.766 16.119 1.00 4.01 H new ATOM 791 N PHE A 60 -21.412 11.788 16.791 1.00 62.55 N ATOM 792 CA PHE A 60 -20.172 11.048 16.587 1.00 62.52 C ATOM 793 C PHE A 60 -20.450 9.680 15.970 1.00 21.43 C ATOM 794 O PHE A 60 -19.811 9.286 14.994 1.00 21.42 O ATOM 795 CB PHE A 60 -19.429 10.880 17.914 1.00 71.11 C ATOM 796 CG PHE A 60 -18.302 9.889 17.849 1.00 33.13 C ATOM 797 CD1 PHE A 60 -17.430 9.880 16.773 1.00 55.45 C ATOM 798 CD2 PHE A 60 -18.115 8.965 18.865 1.00 13.42 C ATOM 799 CE1 PHE A 60 -16.392 8.970 16.710 1.00 13.01 C ATOM 800 CE2 PHE A 60 -17.079 8.053 18.808 1.00 22.05 C ATOM 801 CZ PHE A 60 -16.217 8.054 17.729 1.00 0.40 C ATOM 0 H PHE A 60 -21.634 11.979 17.768 1.00 62.55 H new ATOM 0 HA PHE A 60 -19.548 11.617 15.899 1.00 62.52 H new ATOM 0 HB2 PHE A 60 -19.034 11.847 18.225 1.00 71.11 H new ATOM 0 HB3 PHE A 60 -20.137 10.563 18.680 1.00 71.11 H new ATOM 0 HD1 PHE A 60 -17.563 10.593 15.973 1.00 55.45 H new ATOM 0 HD2 PHE A 60 -18.787 8.958 19.711 1.00 13.42 H new ATOM 0 HE1 PHE A 60 -15.719 8.975 15.866 1.00 13.01 H new ATOM 0 HE2 PHE A 60 -16.943 7.339 19.607 1.00 22.05 H new ATOM 0 HZ PHE A 60 -15.408 7.340 17.682 1.00 0.40 H new ATOM 811 N ILE A 61 -21.407 8.961 16.548 1.00 64.34 N ATOM 812 CA ILE A 61 -21.770 7.638 16.055 1.00 23.32 C ATOM 813 C ILE A 61 -22.506 7.730 14.723 1.00 32.11 C ATOM 814 O ILE A 61 -22.240 6.959 13.802 1.00 50.35 O ATOM 815 CB ILE A 61 -22.653 6.884 17.066 1.00 34.34 C ATOM 816 CG1 ILE A 61 -21.889 6.652 18.372 1.00 52.34 C ATOM 817 CG2 ILE A 61 -23.121 5.561 16.478 1.00 22.22 C ATOM 818 CD1 ILE A 61 -20.697 5.733 18.219 1.00 13.41 C ATOM 0 H ILE A 61 -21.944 9.272 17.357 1.00 64.34 H new ATOM 0 HA ILE A 61 -20.840 7.087 15.915 1.00 23.32 H new ATOM 0 HB ILE A 61 -23.530 7.493 17.284 1.00 34.34 H new ATOM 0 HG12 ILE A 61 -21.550 7.612 18.761 1.00 52.34 H new ATOM 0 HG13 ILE A 61 -22.570 6.231 19.112 1.00 52.34 H new ATOM 0 HG21 ILE A 61 -23.744 5.040 17.205 1.00 22.22 H new ATOM 0 HG22 ILE A 61 -23.699 5.749 15.573 1.00 22.22 H new ATOM 0 HG23 ILE A 61 -22.256 4.945 16.234 1.00 22.22 H new ATOM 0 HD11 ILE A 61 -20.203 5.614 19.183 1.00 13.41 H new ATOM 0 HD12 ILE A 61 -21.032 4.760 17.860 1.00 13.41 H new ATOM 0 HD13 ILE A 61 -19.996 6.162 17.503 1.00 13.41 H new ATOM 830 N GLU A 62 -23.432 8.679 14.629 1.00 10.34 N ATOM 831 CA GLU A 62 -24.206 8.873 13.409 1.00 71.41 C ATOM 832 C GLU A 62 -23.291 9.177 12.226 1.00 3.15 C ATOM 833 O GLU A 62 -23.530 8.721 11.109 1.00 31.30 O ATOM 834 CB GLU A 62 -25.215 10.008 13.593 1.00 41.33 C ATOM 835 CG GLU A 62 -26.490 9.582 14.301 1.00 64.50 C ATOM 836 CD GLU A 62 -27.504 8.968 13.356 1.00 34.42 C ATOM 837 OE1 GLU A 62 -27.180 7.941 12.724 1.00 63.33 O ATOM 838 OE2 GLU A 62 -28.622 9.513 13.249 1.00 52.51 O ATOM 0 H GLU A 62 -23.664 9.325 15.383 1.00 10.34 H new ATOM 0 HA GLU A 62 -24.745 7.949 13.201 1.00 71.41 H new ATOM 0 HB2 GLU A 62 -24.746 10.811 14.161 1.00 41.33 H new ATOM 0 HB3 GLU A 62 -25.472 10.416 12.616 1.00 41.33 H new ATOM 0 HG2 GLU A 62 -26.244 8.862 15.082 1.00 64.50 H new ATOM 0 HG3 GLU A 62 -26.935 10.447 14.793 1.00 64.50 H new ATOM 845 N ALA A 63 -22.242 9.952 12.482 1.00 2.11 N ATOM 846 CA ALA A 63 -21.290 10.317 11.441 1.00 64.15 C ATOM 847 C ALA A 63 -20.385 9.141 11.087 1.00 12.13 C ATOM 848 O ALA A 63 -20.293 8.744 9.925 1.00 4.52 O ATOM 849 CB ALA A 63 -20.457 11.512 11.881 1.00 32.34 C ATOM 0 H ALA A 63 -22.030 10.339 13.402 1.00 2.11 H new ATOM 0 HA ALA A 63 -21.854 10.590 10.549 1.00 64.15 H new ATOM 0 HB1 ALA A 63 -19.750 11.773 11.093 1.00 32.34 H new ATOM 0 HB2 ALA A 63 -21.113 12.361 12.076 1.00 32.34 H new ATOM 0 HB3 ALA A 63 -19.910 11.260 12.790 1.00 32.34 H new ATOM 855 N ILE A 64 -19.720 8.589 12.096 1.00 21.51 N ATOM 856 CA ILE A 64 -18.823 7.458 11.891 1.00 72.11 C ATOM 857 C ILE A 64 -19.597 6.210 11.480 1.00 32.22 C ATOM 858 O ILE A 64 -20.707 5.970 11.957 1.00 42.23 O ATOM 859 CB ILE A 64 -18.008 7.148 13.160 1.00 11.14 C ATOM 860 CG1 ILE A 64 -16.892 6.150 12.846 1.00 74.45 C ATOM 861 CG2 ILE A 64 -18.917 6.608 14.254 1.00 22.25 C ATOM 862 CD1 ILE A 64 -15.626 6.390 13.636 1.00 24.25 C ATOM 0 H ILE A 64 -19.785 8.906 13.063 1.00 21.51 H new ATOM 0 HA ILE A 64 -18.139 7.739 11.090 1.00 72.11 H new ATOM 0 HB ILE A 64 -17.553 8.072 13.516 1.00 11.14 H new ATOM 0 HG12 ILE A 64 -17.251 5.141 13.048 1.00 74.45 H new ATOM 0 HG13 ILE A 64 -16.661 6.199 11.782 1.00 74.45 H new ATOM 0 HG21 ILE A 64 -18.327 6.393 15.145 1.00 22.25 H new ATOM 0 HG22 ILE A 64 -19.679 7.350 14.494 1.00 22.25 H new ATOM 0 HG23 ILE A 64 -19.398 5.693 13.909 1.00 22.25 H new ATOM 0 HD11 ILE A 64 -14.879 5.645 13.362 1.00 24.25 H new ATOM 0 HD12 ILE A 64 -15.243 7.386 13.415 1.00 24.25 H new ATOM 0 HD13 ILE A 64 -15.842 6.312 14.702 1.00 24.25 H new ATOM 874 N ASP A 65 -19.004 5.417 10.595 1.00 42.24 N ATOM 875 CA ASP A 65 -19.636 4.191 10.121 1.00 1.23 C ATOM 876 C ASP A 65 -18.593 3.111 9.852 1.00 20.15 C ATOM 877 O ASP A 65 -17.940 3.109 8.809 1.00 44.21 O ATOM 878 CB ASP A 65 -20.443 4.466 8.852 1.00 71.35 C ATOM 879 CG ASP A 65 -21.557 3.458 8.645 1.00 50.34 C ATOM 880 OD1 ASP A 65 -21.713 2.561 9.500 1.00 43.24 O ATOM 881 OD2 ASP A 65 -22.274 3.568 7.628 1.00 22.50 O ATOM 0 H ASP A 65 -18.086 5.601 10.191 1.00 42.24 H new ATOM 0 HA ASP A 65 -20.310 3.834 10.900 1.00 1.23 H new ATOM 0 HB2 ASP A 65 -20.869 5.468 8.906 1.00 71.35 H new ATOM 0 HB3 ASP A 65 -19.776 4.449 7.990 1.00 71.35 H new ATOM 886 N LYS A 66 -18.441 2.193 10.801 1.00 0.33 N ATOM 887 CA LYS A 66 -17.478 1.107 10.668 1.00 21.43 C ATOM 888 C LYS A 66 -17.662 0.375 9.342 1.00 15.35 C ATOM 889 O LYS A 66 -18.583 -0.426 9.188 1.00 22.32 O ATOM 890 CB LYS A 66 -17.625 0.122 11.831 1.00 41.23 C ATOM 891 CG LYS A 66 -19.053 -0.341 12.058 1.00 34.14 C ATOM 892 CD LYS A 66 -19.191 -1.842 11.863 1.00 42.34 C ATOM 893 CE LYS A 66 -18.386 -2.615 12.897 1.00 55.35 C ATOM 894 NZ LYS A 66 -19.252 -3.499 13.725 1.00 52.20 N ATOM 0 H LYS A 66 -18.973 2.180 11.671 1.00 0.33 H new ATOM 0 HA LYS A 66 -16.477 1.538 10.689 1.00 21.43 H new ATOM 0 HB2 LYS A 66 -16.996 -0.748 11.642 1.00 41.23 H new ATOM 0 HB3 LYS A 66 -17.255 0.591 12.743 1.00 41.23 H new ATOM 0 HG2 LYS A 66 -19.367 -0.074 13.067 1.00 34.14 H new ATOM 0 HG3 LYS A 66 -19.719 0.179 11.369 1.00 34.14 H new ATOM 0 HD2 LYS A 66 -20.242 -2.124 11.933 1.00 42.34 H new ATOM 0 HD3 LYS A 66 -18.855 -2.112 10.862 1.00 42.34 H new ATOM 0 HE2 LYS A 66 -17.629 -3.216 12.393 1.00 55.35 H new ATOM 0 HE3 LYS A 66 -17.858 -1.915 13.544 1.00 55.35 H new ATOM 0 HZ1 LYS A 66 -19.082 -3.306 14.733 1.00 52.20 H new ATOM 0 HZ2 LYS A 66 -20.251 -3.315 13.501 1.00 52.20 H new ATOM 0 HZ3 LYS A 66 -19.029 -4.494 13.521 1.00 52.20 H new ATOM 908 N ASN A 67 -16.780 0.656 8.389 1.00 53.41 N ATOM 909 CA ASN A 67 -16.846 0.024 7.076 1.00 11.13 C ATOM 910 C ASN A 67 -15.714 0.515 6.179 1.00 53.13 C ATOM 911 O ASN A 67 -14.774 -0.224 5.887 1.00 4.32 O ATOM 912 CB ASN A 67 -18.196 0.311 6.416 1.00 34.43 C ATOM 913 CG ASN A 67 -19.107 -0.902 6.412 1.00 65.44 C ATOM 914 OD1 ASN A 67 -18.643 -2.040 6.325 1.00 11.33 O ATOM 915 ND2 ASN A 67 -20.410 -0.664 6.504 1.00 23.43 N ATOM 0 H ASN A 67 -16.011 1.317 8.501 1.00 53.41 H new ATOM 0 HA ASN A 67 -16.737 -1.052 7.212 1.00 11.13 H new ATOM 0 HB2 ASN A 67 -18.688 1.130 6.942 1.00 34.43 H new ATOM 0 HB3 ASN A 67 -18.033 0.643 5.391 1.00 34.43 H new ATOM 0 HD21 ASN A 67 -21.071 -1.440 6.505 1.00 23.43 H new ATOM 0 HD22 ASN A 67 -20.750 0.295 6.574 1.00 23.43 H new ATOM 922 N VAL A 68 -15.812 1.767 5.744 1.00 50.42 N ATOM 923 CA VAL A 68 -14.796 2.358 4.881 1.00 52.41 C ATOM 924 C VAL A 68 -13.568 2.773 5.683 1.00 65.14 C ATOM 925 O VAL A 68 -13.641 3.050 6.880 1.00 53.21 O ATOM 926 CB VAL A 68 -15.344 3.586 4.129 1.00 4.54 C ATOM 927 CG1 VAL A 68 -16.382 3.164 3.101 1.00 12.44 C ATOM 928 CG2 VAL A 68 -15.929 4.593 5.109 1.00 60.42 C ATOM 0 H VAL A 68 -16.585 2.392 5.975 1.00 50.42 H new ATOM 0 HA VAL A 68 -14.512 1.594 4.157 1.00 52.41 H new ATOM 0 HB VAL A 68 -14.520 4.065 3.601 1.00 4.54 H new ATOM 0 HG11 VAL A 68 -16.757 4.045 2.580 1.00 12.44 H new ATOM 0 HG12 VAL A 68 -15.926 2.484 2.382 1.00 12.44 H new ATOM 0 HG13 VAL A 68 -17.208 2.660 3.603 1.00 12.44 H new ATOM 0 HG21 VAL A 68 -16.311 5.454 4.561 1.00 60.42 H new ATOM 0 HG22 VAL A 68 -16.742 4.128 5.667 1.00 60.42 H new ATOM 0 HG23 VAL A 68 -15.153 4.919 5.802 1.00 60.42 H new ATOM 938 N PRO A 69 -12.409 2.817 5.009 1.00 43.43 N ATOM 939 CA PRO A 69 -11.141 3.198 5.638 1.00 1.43 C ATOM 940 C PRO A 69 -11.097 4.678 6.005 1.00 34.21 C ATOM 941 O PRO A 69 -11.018 5.542 5.131 1.00 73.32 O ATOM 942 CB PRO A 69 -10.101 2.884 4.560 1.00 22.12 C ATOM 943 CG PRO A 69 -10.850 2.966 3.275 1.00 13.43 C ATOM 944 CD PRO A 69 -12.247 2.500 3.580 1.00 61.21 C ATOM 0 HA PRO A 69 -10.976 2.667 6.576 1.00 1.43 H new ATOM 0 HB2 PRO A 69 -9.278 3.598 4.584 1.00 22.12 H new ATOM 0 HB3 PRO A 69 -9.669 1.894 4.704 1.00 22.12 H new ATOM 0 HG2 PRO A 69 -10.854 3.986 2.890 1.00 13.43 H new ATOM 0 HG3 PRO A 69 -10.387 2.339 2.513 1.00 13.43 H new ATOM 0 HD2 PRO A 69 -12.986 3.017 2.968 1.00 61.21 H new ATOM 0 HD3 PRO A 69 -12.365 1.433 3.389 1.00 61.21 H new ATOM 952 N CYS A 70 -11.149 4.963 7.301 1.00 21.25 N ATOM 953 CA CYS A 70 -11.116 6.339 7.784 1.00 64.03 C ATOM 954 C CYS A 70 -10.013 6.525 8.821 1.00 32.02 C ATOM 955 O CYS A 70 -9.565 5.563 9.445 1.00 33.25 O ATOM 956 CB CYS A 70 -12.468 6.724 8.385 1.00 73.44 C ATOM 957 SG CYS A 70 -13.879 6.379 7.308 1.00 73.32 S ATOM 0 H CYS A 70 -11.214 4.260 8.037 1.00 21.25 H new ATOM 0 HA CYS A 70 -10.906 6.990 6.936 1.00 64.03 H new ATOM 0 HB2 CYS A 70 -12.602 6.188 9.325 1.00 73.44 H new ATOM 0 HB3 CYS A 70 -12.458 7.788 8.624 1.00 73.44 H new ATOM 0 HG CYS A 70 -14.978 6.737 7.904 1.00 73.32 H new ATOM 963 N TYR A 71 -9.579 7.768 8.999 1.00 70.31 N ATOM 964 CA TYR A 71 -8.526 8.080 9.958 1.00 62.43 C ATOM 965 C TYR A 71 -8.948 9.220 10.879 1.00 30.11 C ATOM 966 O TYR A 71 -9.403 10.267 10.420 1.00 4.55 O ATOM 967 CB TYR A 71 -7.235 8.452 9.226 1.00 20.52 C ATOM 968 CG TYR A 71 -6.894 7.518 8.087 1.00 72.22 C ATOM 969 CD1 TYR A 71 -7.443 7.703 6.824 1.00 71.54 C ATOM 970 CD2 TYR A 71 -6.024 6.451 8.273 1.00 34.43 C ATOM 971 CE1 TYR A 71 -7.135 6.852 5.780 1.00 73.43 C ATOM 972 CE2 TYR A 71 -5.710 5.596 7.235 1.00 62.32 C ATOM 973 CZ TYR A 71 -6.268 5.800 5.990 1.00 2.11 C ATOM 974 OH TYR A 71 -5.958 4.950 4.953 1.00 20.25 O ATOM 0 H TYR A 71 -9.940 8.576 8.492 1.00 70.31 H new ATOM 0 HA TYR A 71 -8.349 7.193 10.566 1.00 62.43 H new ATOM 0 HB2 TYR A 71 -7.327 9.466 8.838 1.00 20.52 H new ATOM 0 HB3 TYR A 71 -6.411 8.457 9.940 1.00 20.52 H new ATOM 0 HD1 TYR A 71 -8.122 8.526 6.656 1.00 71.54 H new ATOM 0 HD2 TYR A 71 -5.586 6.287 9.246 1.00 34.43 H new ATOM 0 HE1 TYR A 71 -7.571 7.010 4.805 1.00 73.43 H new ATOM 0 HE2 TYR A 71 -5.031 4.772 7.397 1.00 62.32 H new ATOM 0 HH TYR A 71 -5.333 4.264 5.268 1.00 20.25 H new ATOM 984 N ALA A 72 -8.793 9.007 12.182 1.00 54.41 N ATOM 985 CA ALA A 72 -9.155 10.017 13.169 1.00 54.11 C ATOM 986 C ALA A 72 -7.970 10.358 14.065 1.00 11.25 C ATOM 987 O ALA A 72 -7.324 9.470 14.620 1.00 3.14 O ATOM 988 CB ALA A 72 -10.332 9.539 14.006 1.00 74.40 C ATOM 0 H ALA A 72 -8.419 8.145 12.578 1.00 54.41 H new ATOM 0 HA ALA A 72 -9.446 10.922 12.636 1.00 54.11 H new ATOM 0 HB1 ALA A 72 -10.591 10.303 14.739 1.00 74.40 H new ATOM 0 HB2 ALA A 72 -11.188 9.353 13.357 1.00 74.40 H new ATOM 0 HB3 ALA A 72 -10.061 8.618 14.522 1.00 74.40 H new ATOM 994 N ALA A 73 -7.690 11.650 14.202 1.00 1.11 N ATOM 995 CA ALA A 73 -6.583 12.108 15.032 1.00 1.05 C ATOM 996 C ALA A 73 -7.090 12.735 16.327 1.00 72.51 C ATOM 997 O ALA A 73 -7.971 13.594 16.309 1.00 54.24 O ATOM 998 CB ALA A 73 -5.723 13.101 14.265 1.00 40.12 C ATOM 0 H ALA A 73 -8.215 12.398 13.749 1.00 1.11 H new ATOM 0 HA ALA A 73 -5.975 11.242 15.292 1.00 1.05 H new ATOM 0 HB1 ALA A 73 -4.900 13.434 14.898 1.00 40.12 H new ATOM 0 HB2 ALA A 73 -5.323 12.622 13.372 1.00 40.12 H new ATOM 0 HB3 ALA A 73 -6.329 13.960 13.975 1.00 40.12 H new ATOM 1004 N PHE A 74 -6.529 12.298 17.450 1.00 50.14 N ATOM 1005 CA PHE A 74 -6.926 12.815 18.754 1.00 11.30 C ATOM 1006 C PHE A 74 -5.730 13.414 19.489 1.00 72.12 C ATOM 1007 O PHE A 74 -4.695 12.765 19.644 1.00 13.31 O ATOM 1008 CB PHE A 74 -7.553 11.704 19.598 1.00 71.52 C ATOM 1009 CG PHE A 74 -8.035 12.170 20.942 1.00 51.34 C ATOM 1010 CD1 PHE A 74 -7.152 12.306 22.000 1.00 4.42 C ATOM 1011 CD2 PHE A 74 -9.372 12.473 21.146 1.00 5.31 C ATOM 1012 CE1 PHE A 74 -7.593 12.735 23.238 1.00 63.11 C ATOM 1013 CE2 PHE A 74 -9.819 12.903 22.382 1.00 65.34 C ATOM 1014 CZ PHE A 74 -8.928 13.035 23.429 1.00 65.45 C ATOM 0 H PHE A 74 -5.798 11.587 17.483 1.00 50.14 H new ATOM 0 HA PHE A 74 -7.664 13.601 18.595 1.00 11.30 H new ATOM 0 HB2 PHE A 74 -8.391 11.272 19.051 1.00 71.52 H new ATOM 0 HB3 PHE A 74 -6.821 10.909 19.739 1.00 71.52 H new ATOM 0 HD1 PHE A 74 -6.107 12.074 21.856 1.00 4.42 H new ATOM 0 HD2 PHE A 74 -10.073 12.372 20.330 1.00 5.31 H new ATOM 0 HE1 PHE A 74 -6.894 12.836 24.055 1.00 63.11 H new ATOM 0 HE2 PHE A 74 -10.864 13.135 22.528 1.00 65.34 H new ATOM 0 HZ PHE A 74 -9.274 13.372 24.395 1.00 65.45 H new ATOM 1024 N ASP A 75 -5.880 14.655 19.938 1.00 74.00 N ATOM 1025 CA ASP A 75 -4.814 15.342 20.657 1.00 42.21 C ATOM 1026 C ASP A 75 -5.024 15.244 22.165 1.00 63.33 C ATOM 1027 O ASP A 75 -6.067 15.641 22.684 1.00 71.50 O ATOM 1028 CB ASP A 75 -4.748 16.810 20.233 1.00 0.44 C ATOM 1029 CG ASP A 75 -3.478 17.492 20.704 1.00 52.23 C ATOM 1030 OD1 ASP A 75 -2.425 16.822 20.743 1.00 52.52 O ATOM 1031 OD2 ASP A 75 -3.538 18.696 21.034 1.00 63.54 O ATOM 0 H ASP A 75 -6.730 15.206 19.817 1.00 74.00 H new ATOM 0 HA ASP A 75 -3.870 14.857 20.408 1.00 42.21 H new ATOM 0 HB2 ASP A 75 -4.810 16.875 19.147 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -5.612 17.340 20.634 1.00 0.44 H new ATOM 1036 N PHE A 76 -4.026 14.711 22.862 1.00 2.33 N ATOM 1037 CA PHE A 76 -4.102 14.558 24.311 1.00 42.44 C ATOM 1038 C PHE A 76 -2.950 15.288 24.996 1.00 52.54 C ATOM 1039 O PHE A 76 -1.987 15.696 24.347 1.00 54.21 O ATOM 1040 CB PHE A 76 -4.079 13.076 24.690 1.00 3.42 C ATOM 1041 CG PHE A 76 -4.651 12.797 26.050 1.00 12.04 C ATOM 1042 CD1 PHE A 76 -5.893 13.296 26.410 1.00 61.02 C ATOM 1043 CD2 PHE A 76 -3.948 12.035 26.969 1.00 10.04 C ATOM 1044 CE1 PHE A 76 -6.421 13.041 27.661 1.00 15.00 C ATOM 1045 CE2 PHE A 76 -4.472 11.776 28.222 1.00 2.42 C ATOM 1046 CZ PHE A 76 -5.711 12.279 28.568 1.00 43.31 C ATOM 0 H PHE A 76 -3.156 14.378 22.448 1.00 2.33 H new ATOM 0 HA PHE A 76 -5.040 14.998 24.649 1.00 42.44 H new ATOM 0 HB2 PHE A 76 -4.639 12.510 23.946 1.00 3.42 H new ATOM 0 HB3 PHE A 76 -3.051 12.716 24.656 1.00 3.42 H new ATOM 0 HD1 PHE A 76 -6.454 13.891 25.705 1.00 61.02 H new ATOM 0 HD2 PHE A 76 -2.979 11.639 26.703 1.00 10.04 H new ATOM 0 HE1 PHE A 76 -7.389 13.438 27.930 1.00 15.00 H new ATOM 0 HE2 PHE A 76 -3.913 11.181 28.929 1.00 2.42 H new ATOM 0 HZ PHE A 76 -6.124 12.077 29.545 1.00 43.31 H new ATOM 1056 N GLU A 77 -3.058 15.450 26.311 1.00 74.52 N ATOM 1057 CA GLU A 77 -2.027 16.132 27.084 1.00 61.45 C ATOM 1058 C GLU A 77 -1.299 15.154 28.001 1.00 23.23 C ATOM 1059 O GLU A 77 -1.895 14.209 28.518 1.00 72.31 O ATOM 1060 CB GLU A 77 -2.642 17.263 27.910 1.00 31.45 C ATOM 1061 CG GLU A 77 -3.943 16.878 28.595 1.00 51.12 C ATOM 1062 CD GLU A 77 -4.434 17.944 29.556 1.00 61.53 C ATOM 1063 OE1 GLU A 77 -5.098 18.896 29.096 1.00 71.14 O ATOM 1064 OE2 GLU A 77 -4.154 17.825 30.767 1.00 42.52 O ATOM 0 H GLU A 77 -3.849 15.118 26.863 1.00 74.52 H new ATOM 0 HA GLU A 77 -1.304 16.554 26.386 1.00 61.45 H new ATOM 0 HB2 GLU A 77 -1.924 17.582 28.665 1.00 31.45 H new ATOM 0 HB3 GLU A 77 -2.823 18.119 27.260 1.00 31.45 H new ATOM 0 HG2 GLU A 77 -4.707 16.696 27.839 1.00 51.12 H new ATOM 0 HG3 GLU A 77 -3.801 15.943 29.137 1.00 51.12 H new ATOM 1167 N ARG A 85 2.919 19.206 28.006 1.00 40.55 N ATOM 1168 CA ARG A 85 3.259 18.467 26.796 1.00 32.31 C ATOM 1169 C ARG A 85 1.999 18.001 26.072 1.00 62.41 C ATOM 1170 O ARG A 85 0.972 17.738 26.698 1.00 23.12 O ATOM 1171 CB ARG A 85 4.138 17.263 27.139 1.00 32.42 C ATOM 1172 CG ARG A 85 5.415 17.188 26.319 1.00 23.40 C ATOM 1173 CD ARG A 85 5.424 15.967 25.413 1.00 65.53 C ATOM 1174 NE ARG A 85 6.780 15.572 25.040 1.00 63.12 N ATOM 1175 CZ ARG A 85 7.052 14.679 24.095 1.00 20.40 C ATOM 1176 NH1 ARG A 85 6.067 14.091 23.431 1.00 74.23 N ATOM 1177 NH2 ARG A 85 8.312 14.372 23.813 1.00 52.02 N ATOM 0 HA ARG A 85 3.811 19.135 26.135 1.00 32.31 H new ATOM 0 HB2 ARG A 85 4.397 17.303 28.197 1.00 32.42 H new ATOM 0 HB3 ARG A 85 3.564 16.349 26.986 1.00 32.42 H new ATOM 0 HG2 ARG A 85 5.515 18.091 25.716 1.00 23.40 H new ATOM 0 HG3 ARG A 85 6.276 17.153 26.987 1.00 23.40 H new ATOM 0 HD2 ARG A 85 4.931 15.137 25.919 1.00 65.53 H new ATOM 0 HD3 ARG A 85 4.848 16.180 24.513 1.00 65.53 H new ATOM 0 HE ARG A 85 7.561 16.006 25.532 1.00 63.12 H new ATOM 0 HH11 ARG A 85 5.097 14.324 23.645 1.00 74.23 H new ATOM 0 HH12 ARG A 85 6.279 13.406 22.706 1.00 74.23 H new ATOM 0 HH21 ARG A 85 9.073 14.822 24.322 1.00 52.02 H new ATOM 0 HH22 ARG A 85 8.520 13.686 23.087 1.00 52.02 H new ATOM 1191 N ASP A 86 2.086 17.901 24.750 1.00 33.01 N ATOM 1192 CA ASP A 86 0.953 17.466 23.940 1.00 5.23 C ATOM 1193 C ASP A 86 1.372 16.370 22.965 1.00 11.22 C ATOM 1194 O ASP A 86 2.408 16.471 22.308 1.00 51.22 O ATOM 1195 CB ASP A 86 0.363 18.650 23.173 1.00 1.42 C ATOM 1196 CG ASP A 86 1.432 19.536 22.564 1.00 51.15 C ATOM 1197 OD1 ASP A 86 1.985 19.159 21.509 1.00 70.10 O ATOM 1198 OD2 ASP A 86 1.715 20.607 23.140 1.00 32.34 O ATOM 0 H ASP A 86 2.929 18.115 24.216 1.00 33.01 H new ATOM 0 HA ASP A 86 0.193 17.062 24.609 1.00 5.23 H new ATOM 0 HB2 ASP A 86 -0.290 18.278 22.383 1.00 1.42 H new ATOM 0 HB3 ASP A 86 -0.256 19.243 23.846 1.00 1.42 H new ATOM 1203 N LYS A 87 0.560 15.322 22.877 1.00 12.22 N ATOM 1204 CA LYS A 87 0.844 14.206 21.983 1.00 41.32 C ATOM 1205 C LYS A 87 -0.366 13.886 21.111 1.00 21.43 C ATOM 1206 O LYS A 87 -1.481 13.733 21.612 1.00 72.05 O ATOM 1207 CB LYS A 87 1.247 12.970 22.789 1.00 25.30 C ATOM 1208 CG LYS A 87 2.705 12.580 22.616 1.00 22.32 C ATOM 1209 CD LYS A 87 2.920 11.776 21.345 1.00 65.12 C ATOM 1210 CE LYS A 87 4.400 11.573 21.057 1.00 2.42 C ATOM 1211 NZ LYS A 87 4.856 12.385 19.895 1.00 75.14 N ATOM 0 H LYS A 87 -0.301 15.222 23.415 1.00 12.22 H new ATOM 0 HA LYS A 87 1.671 14.494 21.334 1.00 41.32 H new ATOM 0 HB2 LYS A 87 1.052 13.156 23.845 1.00 25.30 H new ATOM 0 HB3 LYS A 87 0.617 12.131 22.492 1.00 25.30 H new ATOM 0 HG2 LYS A 87 3.322 13.478 22.588 1.00 22.32 H new ATOM 0 HG3 LYS A 87 3.031 11.996 23.477 1.00 22.32 H new ATOM 0 HD2 LYS A 87 2.430 10.807 21.439 1.00 65.12 H new ATOM 0 HD3 LYS A 87 2.452 12.289 20.505 1.00 65.12 H new ATOM 0 HE2 LYS A 87 4.982 11.842 21.939 1.00 2.42 H new ATOM 0 HE3 LYS A 87 4.590 10.518 20.860 1.00 2.42 H new ATOM 0 HZ1 LYS A 87 5.891 12.325 19.814 1.00 75.14 H new ATOM 0 HZ2 LYS A 87 4.419 12.021 19.024 1.00 75.14 H new ATOM 0 HZ3 LYS A 87 4.576 13.377 20.034 1.00 75.14 H new ATOM 1225 N LEU A 88 -0.139 13.783 19.806 1.00 1.24 N ATOM 1226 CA LEU A 88 -1.211 13.479 18.865 1.00 62.41 C ATOM 1227 C LEU A 88 -1.187 12.005 18.471 1.00 13.21 C ATOM 1228 O LEU A 88 -0.132 11.453 18.159 1.00 22.11 O ATOM 1229 CB LEU A 88 -1.084 14.354 17.617 1.00 71.01 C ATOM 1230 CG LEU A 88 -2.274 15.264 17.312 1.00 74.03 C ATOM 1231 CD1 LEU A 88 -2.016 16.076 16.052 1.00 73.11 C ATOM 1232 CD2 LEU A 88 -3.549 14.445 17.169 1.00 40.02 C ATOM 0 H LEU A 88 0.778 13.906 19.376 1.00 1.24 H new ATOM 0 HA LEU A 88 -2.162 13.690 19.354 1.00 62.41 H new ATOM 0 HB2 LEU A 88 -0.195 14.975 17.722 1.00 71.01 H new ATOM 0 HB3 LEU A 88 -0.919 13.704 16.757 1.00 71.01 H new ATOM 0 HG LEU A 88 -2.401 15.955 18.145 1.00 74.03 H new ATOM 0 HD11 LEU A 88 -2.874 16.718 15.851 1.00 73.11 H new ATOM 0 HD12 LEU A 88 -1.127 16.691 16.191 1.00 73.11 H new ATOM 0 HD13 LEU A 88 -1.862 15.402 15.210 1.00 73.11 H new ATOM 0 HD21 LEU A 88 -4.386 15.109 16.952 1.00 40.02 H new ATOM 0 HD22 LEU A 88 -3.433 13.730 16.355 1.00 40.02 H new ATOM 0 HD23 LEU A 88 -3.743 13.909 18.098 1.00 40.02 H new ATOM 1244 N ILE A 89 -2.357 11.375 18.486 1.00 52.52 N ATOM 1245 CA ILE A 89 -2.471 9.967 18.127 1.00 42.30 C ATOM 1246 C ILE A 89 -3.317 9.787 16.871 1.00 24.41 C ATOM 1247 O ILE A 89 -4.238 10.562 16.613 1.00 51.01 O ATOM 1248 CB ILE A 89 -3.089 9.143 19.272 1.00 63.34 C ATOM 1249 CG1 ILE A 89 -2.692 9.733 20.626 1.00 25.54 C ATOM 1250 CG2 ILE A 89 -2.652 7.689 19.172 1.00 33.33 C ATOM 1251 CD1 ILE A 89 -1.196 9.848 20.820 1.00 42.11 C ATOM 0 H ILE A 89 -3.239 11.818 18.743 1.00 52.52 H new ATOM 0 HA ILE A 89 -1.460 9.607 17.936 1.00 42.30 H new ATOM 0 HB ILE A 89 -4.175 9.183 19.185 1.00 63.34 H new ATOM 0 HG12 ILE A 89 -3.140 10.721 20.728 1.00 25.54 H new ATOM 0 HG13 ILE A 89 -3.106 9.111 21.420 1.00 25.54 H new ATOM 0 HG21 ILE A 89 -3.096 7.119 19.988 1.00 33.33 H new ATOM 0 HG22 ILE A 89 -2.980 7.275 18.219 1.00 33.33 H new ATOM 0 HG23 ILE A 89 -1.566 7.630 19.238 1.00 33.33 H new ATOM 0 HD11 ILE A 89 -0.988 10.274 21.802 1.00 42.11 H new ATOM 0 HD12 ILE A 89 -0.743 8.859 20.750 1.00 42.11 H new ATOM 0 HD13 ILE A 89 -0.778 10.494 20.048 1.00 42.11 H new ATOM 1263 N LEU A 90 -2.999 8.757 16.094 1.00 41.32 N ATOM 1264 CA LEU A 90 -3.731 8.472 14.864 1.00 1.25 C ATOM 1265 C LEU A 90 -4.352 7.080 14.911 1.00 64.32 C ATOM 1266 O LEU A 90 -3.645 6.079 15.034 1.00 33.42 O ATOM 1267 CB LEU A 90 -2.801 8.589 13.655 1.00 32.23 C ATOM 1268 CG LEU A 90 -3.383 9.289 12.427 1.00 62.35 C ATOM 1269 CD1 LEU A 90 -4.582 8.521 11.893 1.00 53.21 C ATOM 1270 CD2 LEU A 90 -3.770 10.721 12.762 1.00 14.44 C ATOM 0 H LEU A 90 -2.240 8.106 16.294 1.00 41.32 H new ATOM 0 HA LEU A 90 -4.533 9.204 14.769 1.00 1.25 H new ATOM 0 HB2 LEU A 90 -1.903 9.125 13.963 1.00 32.23 H new ATOM 0 HB3 LEU A 90 -2.489 7.586 13.363 1.00 32.23 H new ATOM 0 HG LEU A 90 -2.618 9.314 11.651 1.00 62.35 H new ATOM 0 HD11 LEU A 90 -4.983 9.034 11.019 1.00 53.21 H new ATOM 0 HD12 LEU A 90 -4.273 7.514 11.613 1.00 53.21 H new ATOM 0 HD13 LEU A 90 -5.350 8.464 12.664 1.00 53.21 H new ATOM 0 HD21 LEU A 90 -4.182 11.203 11.876 1.00 14.44 H new ATOM 0 HD22 LEU A 90 -4.517 10.720 13.555 1.00 14.44 H new ATOM 0 HD23 LEU A 90 -2.888 11.268 13.095 1.00 14.44 H new ATOM 1282 N ILE A 91 -5.675 7.024 14.809 1.00 72.11 N ATOM 1283 CA ILE A 91 -6.390 5.754 14.836 1.00 71.12 C ATOM 1284 C ILE A 91 -7.101 5.495 13.512 1.00 50.22 C ATOM 1285 O ILE A 91 -7.929 6.294 13.073 1.00 22.25 O ATOM 1286 CB ILE A 91 -7.424 5.714 15.977 1.00 65.30 C ATOM 1287 CG1 ILE A 91 -6.782 6.164 17.291 1.00 14.21 C ATOM 1288 CG2 ILE A 91 -8.004 4.314 16.117 1.00 41.32 C ATOM 1289 CD1 ILE A 91 -7.099 7.597 17.658 1.00 41.22 C ATOM 0 H ILE A 91 -6.274 7.843 14.707 1.00 72.11 H new ATOM 0 HA ILE A 91 -5.645 4.976 15.004 1.00 71.12 H new ATOM 0 HB ILE A 91 -8.236 6.400 15.737 1.00 65.30 H new ATOM 0 HG12 ILE A 91 -7.119 5.509 18.094 1.00 14.21 H new ATOM 0 HG13 ILE A 91 -5.701 6.047 17.217 1.00 14.21 H new ATOM 0 HG21 ILE A 91 -8.733 4.302 16.927 1.00 41.32 H new ATOM 0 HG22 ILE A 91 -8.492 4.027 15.185 1.00 41.32 H new ATOM 0 HG23 ILE A 91 -7.203 3.609 16.339 1.00 41.32 H new ATOM 0 HD11 ILE A 91 -6.611 7.848 18.600 1.00 41.22 H new ATOM 0 HD12 ILE A 91 -6.737 8.262 16.874 1.00 41.22 H new ATOM 0 HD13 ILE A 91 -8.177 7.715 17.765 1.00 41.22 H new ATOM 1301 N SER A 92 -6.773 4.373 12.880 1.00 74.40 N ATOM 1302 CA SER A 92 -7.379 4.009 11.604 1.00 31.44 C ATOM 1303 C SER A 92 -8.469 2.959 11.800 1.00 1.14 C ATOM 1304 O SER A 92 -8.303 2.012 12.569 1.00 2.33 O ATOM 1305 CB SER A 92 -6.314 3.480 10.642 1.00 4.31 C ATOM 1306 OG SER A 92 -6.045 2.110 10.881 1.00 32.40 O ATOM 0 H SER A 92 -6.091 3.700 13.230 1.00 74.40 H new ATOM 0 HA SER A 92 -7.832 4.904 11.177 1.00 31.44 H new ATOM 0 HB2 SER A 92 -6.650 3.614 9.614 1.00 4.31 H new ATOM 0 HB3 SER A 92 -5.397 4.059 10.756 1.00 4.31 H new ATOM 0 HG SER A 92 -5.461 1.763 10.175 1.00 32.40 H new ATOM 1312 N TRP A 93 -9.583 3.135 11.100 1.00 72.14 N ATOM 1313 CA TRP A 93 -10.701 2.203 11.196 1.00 54.42 C ATOM 1314 C TRP A 93 -10.703 1.231 10.021 1.00 3.23 C ATOM 1315 O TRP A 93 -10.877 1.633 8.872 1.00 61.03 O ATOM 1316 CB TRP A 93 -12.026 2.967 11.243 1.00 43.40 C ATOM 1317 CG TRP A 93 -12.412 3.402 12.624 1.00 3.33 C ATOM 1318 CD1 TRP A 93 -11.598 3.972 13.562 1.00 40.04 C ATOM 1319 CD2 TRP A 93 -13.708 3.301 13.224 1.00 62.31 C ATOM 1320 NE1 TRP A 93 -12.310 4.231 14.708 1.00 73.32 N ATOM 1321 CE2 TRP A 93 -13.607 3.829 14.526 1.00 71.11 C ATOM 1322 CE3 TRP A 93 -14.944 2.817 12.787 1.00 20.02 C ATOM 1323 CZ2 TRP A 93 -14.695 3.884 15.392 1.00 15.55 C ATOM 1324 CZ3 TRP A 93 -16.023 2.873 13.649 1.00 70.44 C ATOM 1325 CH2 TRP A 93 -15.894 3.404 14.939 1.00 64.22 C ATOM 0 H TRP A 93 -9.737 3.914 10.460 1.00 72.14 H new ATOM 0 HA TRP A 93 -10.586 1.631 12.117 1.00 54.42 H new ATOM 0 HB2 TRP A 93 -11.954 3.844 10.600 1.00 43.40 H new ATOM 0 HB3 TRP A 93 -12.816 2.336 10.834 1.00 43.40 H new ATOM 0 HD1 TRP A 93 -10.549 4.187 13.423 1.00 40.04 H new ATOM 0 HE1 TRP A 93 -11.934 4.654 15.557 1.00 73.32 H new ATOM 0 HE3 TRP A 93 -15.054 2.407 11.794 1.00 20.02 H new ATOM 0 HZ2 TRP A 93 -14.597 4.291 16.387 1.00 15.55 H new ATOM 0 HZ3 TRP A 93 -16.983 2.501 13.322 1.00 70.44 H new ATOM 0 HH2 TRP A 93 -16.757 3.435 15.588 1.00 64.22 H new ATOM 1336 N ASN A 94 -10.507 -0.049 10.318 1.00 35.45 N ATOM 1337 CA ASN A 94 -10.486 -1.079 9.286 1.00 50.03 C ATOM 1338 C ASN A 94 -10.740 -2.458 9.887 1.00 54.11 C ATOM 1339 O ASN A 94 -9.816 -3.177 10.266 1.00 31.33 O ATOM 1340 CB ASN A 94 -9.142 -1.069 8.554 1.00 31.24 C ATOM 1341 CG ASN A 94 -9.284 -1.396 7.080 1.00 23.13 C ATOM 1342 OD1 ASN A 94 -8.737 -0.701 6.224 1.00 71.13 O ATOM 1343 ND2 ASN A 94 -10.020 -2.459 6.778 1.00 14.13 N ATOM 0 H ASN A 94 -10.360 -0.398 11.265 1.00 35.45 H new ATOM 0 HA ASN A 94 -11.282 -0.861 8.574 1.00 50.03 H new ATOM 0 HB2 ASN A 94 -8.679 -0.088 8.663 1.00 31.24 H new ATOM 0 HB3 ASN A 94 -8.472 -1.791 9.021 1.00 31.24 H new ATOM 0 HD21 ASN A 94 -10.151 -2.729 5.803 1.00 14.13 H new ATOM 0 HD22 ASN A 94 -10.455 -3.006 7.521 1.00 14.13 H new ATOM 1350 N PRO A 95 -12.024 -2.837 9.976 1.00 40.11 N ATOM 1351 CA PRO A 95 -12.430 -4.132 10.529 1.00 73.32 C ATOM 1352 C PRO A 95 -12.048 -5.296 9.621 1.00 43.03 C ATOM 1353 O PRO A 95 -12.290 -5.260 8.414 1.00 3.31 O ATOM 1354 CB PRO A 95 -13.953 -4.012 10.631 1.00 21.34 C ATOM 1355 CG PRO A 95 -14.324 -3.002 9.601 1.00 5.03 C ATOM 1356 CD PRO A 95 -13.177 -2.030 9.543 1.00 34.31 C ATOM 0 HA PRO A 95 -11.940 -4.341 11.480 1.00 73.32 H new ATOM 0 HB2 PRO A 95 -14.439 -4.969 10.440 1.00 21.34 H new ATOM 0 HB3 PRO A 95 -14.259 -3.692 11.627 1.00 21.34 H new ATOM 0 HG2 PRO A 95 -14.485 -3.474 8.632 1.00 5.03 H new ATOM 0 HG3 PRO A 95 -15.252 -2.496 9.867 1.00 5.03 H new ATOM 0 HD2 PRO A 95 -13.036 -1.635 8.537 1.00 34.31 H new ATOM 0 HD3 PRO A 95 -13.340 -1.176 10.201 1.00 34.31 H new ATOM 1364 N ASP A 96 -11.450 -6.327 10.208 1.00 50.21 N ATOM 1365 CA ASP A 96 -11.035 -7.503 9.451 1.00 13.45 C ATOM 1366 C ASP A 96 -12.226 -8.140 8.741 1.00 3.52 C ATOM 1367 O ASP A 96 -12.061 -8.856 7.754 1.00 54.55 O ATOM 1368 CB ASP A 96 -10.372 -8.523 10.378 1.00 72.45 C ATOM 1369 CG ASP A 96 -8.906 -8.734 10.052 1.00 15.12 C ATOM 1370 OD1 ASP A 96 -8.090 -7.857 10.402 1.00 43.43 O ATOM 1371 OD2 ASP A 96 -8.576 -9.776 9.447 1.00 13.42 O ATOM 0 H ASP A 96 -11.242 -6.372 11.205 1.00 50.21 H new ATOM 0 HA ASP A 96 -10.314 -7.185 8.698 1.00 13.45 H new ATOM 0 HB2 ASP A 96 -10.467 -8.187 11.411 1.00 72.45 H new ATOM 0 HB3 ASP A 96 -10.899 -9.474 10.303 1.00 72.45 H new ATOM 1376 N SER A 97 -13.424 -7.875 9.252 1.00 40.42 N ATOM 1377 CA SER A 97 -14.642 -8.426 8.669 1.00 1.24 C ATOM 1378 C SER A 97 -15.362 -7.379 7.825 1.00 33.00 C ATOM 1379 O SER A 97 -16.522 -7.556 7.453 1.00 4.32 O ATOM 1380 CB SER A 97 -15.572 -8.938 9.770 1.00 15.15 C ATOM 1381 OG SER A 97 -15.192 -10.234 10.198 1.00 61.43 O ATOM 0 H SER A 97 -13.577 -7.283 10.068 1.00 40.42 H new ATOM 0 HA SER A 97 -14.363 -9.258 8.023 1.00 1.24 H new ATOM 0 HB2 SER A 97 -15.551 -8.252 10.616 1.00 15.15 H new ATOM 0 HB3 SER A 97 -16.598 -8.959 9.403 1.00 15.15 H new ATOM 0 HG SER A 97 -15.801 -10.537 10.903 1.00 61.43 H new ATOM 1387 N GLY A 98 -14.665 -6.287 7.526 1.00 53.10 N ATOM 1388 CA GLY A 98 -15.253 -5.227 6.728 1.00 13.11 C ATOM 1389 C GLY A 98 -15.289 -5.565 5.251 1.00 40.12 C ATOM 1390 O GLY A 98 -16.043 -6.439 4.825 1.00 34.13 O ATOM 0 H GLY A 98 -13.704 -6.118 7.822 1.00 53.10 H new ATOM 0 HA2 GLY A 98 -16.267 -5.033 7.078 1.00 13.11 H new ATOM 0 HA3 GLY A 98 -14.684 -4.309 6.874 1.00 13.11 H new ATOM 1394 N ALA A 99 -14.472 -4.869 4.466 1.00 31.54 N ATOM 1395 CA ALA A 99 -14.413 -5.101 3.029 1.00 50.15 C ATOM 1396 C ALA A 99 -12.970 -5.221 2.551 1.00 61.04 C ATOM 1397 O ALA A 99 -12.032 -4.780 3.215 1.00 62.10 O ATOM 1398 CB ALA A 99 -15.126 -3.982 2.284 1.00 11.32 C ATOM 0 H ALA A 99 -13.842 -4.140 4.802 1.00 31.54 H new ATOM 0 HA ALA A 99 -14.918 -6.043 2.817 1.00 50.15 H new ATOM 0 HB1 ALA A 99 -15.074 -4.168 1.211 1.00 11.32 H new ATOM 0 HB2 ALA A 99 -16.170 -3.945 2.596 1.00 11.32 H new ATOM 0 HB3 ALA A 99 -14.646 -3.030 2.511 1.00 11.32 H new ATOM 1404 N PRO A 100 -12.785 -5.833 1.371 1.00 13.42 N ATOM 1405 CA PRO A 100 -11.458 -6.025 0.778 1.00 35.04 C ATOM 1406 C PRO A 100 -10.839 -4.714 0.307 1.00 64.22 C ATOM 1407 O PRO A 100 -9.643 -4.482 0.487 1.00 12.43 O ATOM 1408 CB PRO A 100 -11.732 -6.946 -0.413 1.00 35.20 C ATOM 1409 CG PRO A 100 -13.157 -6.692 -0.769 1.00 23.14 C ATOM 1410 CD PRO A 100 -13.858 -6.383 0.525 1.00 3.32 C ATOM 0 HA PRO A 100 -10.746 -6.434 1.495 1.00 35.04 H new ATOM 0 HB2 PRO A 100 -11.069 -6.721 -1.248 1.00 35.20 H new ATOM 0 HB3 PRO A 100 -11.570 -7.991 -0.150 1.00 35.20 H new ATOM 0 HG2 PRO A 100 -13.242 -5.860 -1.468 1.00 23.14 H new ATOM 0 HG3 PRO A 100 -13.599 -7.562 -1.254 1.00 23.14 H new ATOM 0 HD2 PRO A 100 -14.666 -5.665 0.383 1.00 3.32 H new ATOM 0 HD3 PRO A 100 -14.300 -7.277 0.966 1.00 3.32 H new ATOM 1418 N ARG A 101 -11.659 -3.861 -0.298 1.00 2.23 N ATOM 1419 CA ARG A 101 -11.190 -2.573 -0.796 1.00 31.32 C ATOM 1420 C ARG A 101 -10.809 -1.650 0.358 1.00 71.02 C ATOM 1421 O ARG A 101 -9.897 -0.831 0.237 1.00 13.04 O ATOM 1422 CB ARG A 101 -12.268 -1.913 -1.657 1.00 40.32 C ATOM 1423 CG ARG A 101 -12.045 -2.086 -3.151 1.00 2.43 C ATOM 1424 CD ARG A 101 -12.724 -0.982 -3.947 1.00 23.12 C ATOM 1425 NE ARG A 101 -12.941 -1.366 -5.339 1.00 45.32 N ATOM 1426 CZ ARG A 101 -13.833 -2.273 -5.721 1.00 42.42 C ATOM 1427 NH1 ARG A 101 -14.588 -2.885 -4.820 1.00 23.42 N ATOM 1428 NH2 ARG A 101 -13.972 -2.568 -7.007 1.00 43.23 N ATOM 0 H ARG A 101 -12.651 -4.038 -0.455 1.00 2.23 H new ATOM 0 HA ARG A 101 -10.304 -2.748 -1.406 1.00 31.32 H new ATOM 0 HB2 ARG A 101 -13.239 -2.331 -1.392 1.00 40.32 H new ATOM 0 HB3 ARG A 101 -12.305 -0.849 -1.425 1.00 40.32 H new ATOM 0 HG2 ARG A 101 -10.976 -2.084 -3.363 1.00 2.43 H new ATOM 0 HG3 ARG A 101 -12.431 -3.055 -3.468 1.00 2.43 H new ATOM 0 HD2 ARG A 101 -13.680 -0.738 -3.485 1.00 23.12 H new ATOM 0 HD3 ARG A 101 -12.113 -0.080 -3.911 1.00 23.12 H new ATOM 0 HE ARG A 101 -12.377 -0.913 -6.058 1.00 45.32 H new ATOM 0 HH11 ARG A 101 -14.485 -2.660 -3.831 1.00 23.42 H new ATOM 0 HH12 ARG A 101 -15.272 -3.581 -5.116 1.00 23.42 H new ATOM 0 HH21 ARG A 101 -13.394 -2.098 -7.703 1.00 43.23 H new ATOM 0 HH22 ARG A 101 -14.657 -3.265 -7.299 1.00 43.23 H new ATOM 1442 N THR A 102 -11.514 -1.787 1.477 1.00 61.43 N ATOM 1443 CA THR A 102 -11.251 -0.965 2.651 1.00 34.31 C ATOM 1444 C THR A 102 -9.903 -1.311 3.274 1.00 55.53 C ATOM 1445 O THR A 102 -9.115 -0.424 3.605 1.00 74.42 O ATOM 1446 CB THR A 102 -12.354 -1.135 3.714 1.00 65.53 C ATOM 1447 OG1 THR A 102 -12.249 -2.426 4.325 1.00 13.03 O ATOM 1448 CG2 THR A 102 -13.733 -0.973 3.093 1.00 0.44 C ATOM 0 H THR A 102 -12.272 -2.460 1.594 1.00 61.43 H new ATOM 0 HA THR A 102 -11.237 0.072 2.315 1.00 34.31 H new ATOM 0 HB THR A 102 -12.221 -0.363 4.471 1.00 65.53 H new ATOM 0 HG1 THR A 102 -12.167 -3.111 3.629 1.00 13.03 H new ATOM 0 HG21 THR A 102 -14.495 -1.097 3.862 1.00 0.44 H new ATOM 0 HG22 THR A 102 -13.820 0.021 2.653 1.00 0.44 H new ATOM 0 HG23 THR A 102 -13.874 -1.726 2.318 1.00 0.44 H new ATOM 1456 N LYS A 103 -9.643 -2.604 3.430 1.00 32.12 N ATOM 1457 CA LYS A 103 -8.389 -3.068 4.011 1.00 10.25 C ATOM 1458 C LYS A 103 -7.217 -2.780 3.078 1.00 75.11 C ATOM 1459 O LYS A 103 -6.129 -2.420 3.526 1.00 53.24 O ATOM 1460 CB LYS A 103 -8.464 -4.568 4.306 1.00 5.33 C ATOM 1461 CG LYS A 103 -8.789 -5.412 3.086 1.00 11.04 C ATOM 1462 CD LYS A 103 -8.841 -6.891 3.430 1.00 60.22 C ATOM 1463 CE LYS A 103 -7.460 -7.434 3.765 1.00 34.33 C ATOM 1464 NZ LYS A 103 -7.443 -8.923 3.797 1.00 23.04 N ATOM 0 H LYS A 103 -10.285 -3.350 3.162 1.00 32.12 H new ATOM 0 HA LYS A 103 -8.228 -2.528 4.944 1.00 10.25 H new ATOM 0 HB2 LYS A 103 -7.511 -4.896 4.721 1.00 5.33 H new ATOM 0 HB3 LYS A 103 -9.222 -4.742 5.070 1.00 5.33 H new ATOM 0 HG2 LYS A 103 -9.747 -5.100 2.671 1.00 11.04 H new ATOM 0 HG3 LYS A 103 -8.038 -5.243 2.315 1.00 11.04 H new ATOM 0 HD2 LYS A 103 -9.509 -7.045 4.277 1.00 60.22 H new ATOM 0 HD3 LYS A 103 -9.258 -7.447 2.590 1.00 60.22 H new ATOM 0 HE2 LYS A 103 -6.741 -7.078 3.027 1.00 34.33 H new ATOM 0 HE3 LYS A 103 -7.142 -7.046 4.733 1.00 34.33 H new ATOM 0 HZ1 LYS A 103 -6.485 -9.254 4.029 1.00 23.04 H new ATOM 0 HZ2 LYS A 103 -8.111 -9.262 4.519 1.00 23.04 H new ATOM 0 HZ3 LYS A 103 -7.722 -9.293 2.866 1.00 23.04 H new ATOM 1478 N MET A 104 -7.449 -2.940 1.779 1.00 24.40 N ATOM 1479 CA MET A 104 -6.412 -2.695 0.783 1.00 52.11 C ATOM 1480 C MET A 104 -6.129 -1.202 0.650 1.00 41.02 C ATOM 1481 O MET A 104 -4.973 -0.776 0.660 1.00 52.25 O ATOM 1482 CB MET A 104 -6.831 -3.269 -0.572 1.00 22.21 C ATOM 1483 CG MET A 104 -5.669 -3.813 -1.387 1.00 25.23 C ATOM 1484 SD MET A 104 -5.992 -3.788 -3.160 1.00 62.43 S ATOM 1485 CE MET A 104 -5.004 -5.180 -3.704 1.00 44.31 C ATOM 0 H MET A 104 -8.344 -3.238 1.392 1.00 24.40 H new ATOM 0 HA MET A 104 -5.500 -3.192 1.114 1.00 52.11 H new ATOM 0 HB2 MET A 104 -7.556 -4.067 -0.411 1.00 22.21 H new ATOM 0 HB3 MET A 104 -7.335 -2.492 -1.147 1.00 22.21 H new ATOM 0 HG2 MET A 104 -4.776 -3.225 -1.176 1.00 25.23 H new ATOM 0 HG3 MET A 104 -5.458 -4.836 -1.074 1.00 25.23 H new ATOM 0 HE1 MET A 104 -5.100 -5.294 -4.784 1.00 44.31 H new ATOM 0 HE2 MET A 104 -3.959 -5.006 -3.449 1.00 44.31 H new ATOM 0 HE3 MET A 104 -5.351 -6.088 -3.211 1.00 44.31 H new ATOM 1495 N LEU A 105 -7.190 -0.412 0.525 1.00 5.13 N ATOM 1496 CA LEU A 105 -7.055 1.034 0.390 1.00 44.31 C ATOM 1497 C LEU A 105 -6.288 1.623 1.570 1.00 65.52 C ATOM 1498 O LEU A 105 -5.585 2.624 1.429 1.00 22.25 O ATOM 1499 CB LEU A 105 -8.434 1.688 0.287 1.00 61.40 C ATOM 1500 CG LEU A 105 -9.094 1.648 -1.092 1.00 0.42 C ATOM 1501 CD1 LEU A 105 -10.553 2.065 -0.997 1.00 14.31 C ATOM 1502 CD2 LEU A 105 -8.344 2.543 -2.068 1.00 11.43 C ATOM 0 H LEU A 105 -8.153 -0.748 0.514 1.00 5.13 H new ATOM 0 HA LEU A 105 -6.494 1.237 -0.522 1.00 44.31 H new ATOM 0 HB2 LEU A 105 -9.099 1.201 1.000 1.00 61.40 H new ATOM 0 HB3 LEU A 105 -8.344 2.730 0.595 1.00 61.40 H new ATOM 0 HG LEU A 105 -9.053 0.624 -1.464 1.00 0.42 H new ATOM 0 HD11 LEU A 105 -11.006 2.031 -1.988 1.00 14.31 H new ATOM 0 HD12 LEU A 105 -11.083 1.384 -0.331 1.00 14.31 H new ATOM 0 HD13 LEU A 105 -10.617 3.080 -0.604 1.00 14.31 H new ATOM 0 HD21 LEU A 105 -8.827 2.502 -3.044 1.00 11.43 H new ATOM 0 HD22 LEU A 105 -8.353 3.569 -1.701 1.00 11.43 H new ATOM 0 HD23 LEU A 105 -7.314 2.199 -2.159 1.00 11.43 H new ATOM 1514 N TYR A 106 -6.426 0.993 2.731 1.00 25.13 N ATOM 1515 CA TYR A 106 -5.746 1.454 3.936 1.00 22.20 C ATOM 1516 C TYR A 106 -4.233 1.467 3.737 1.00 52.32 C ATOM 1517 O TYR A 106 -3.564 2.454 4.042 1.00 13.35 O ATOM 1518 CB TYR A 106 -6.107 0.561 5.124 1.00 21.40 C ATOM 1519 CG TYR A 106 -5.275 0.829 6.358 1.00 35.11 C ATOM 1520 CD1 TYR A 106 -5.351 2.049 7.019 1.00 65.31 C ATOM 1521 CD2 TYR A 106 -4.415 -0.138 6.864 1.00 75.32 C ATOM 1522 CE1 TYR A 106 -4.592 2.298 8.146 1.00 11.22 C ATOM 1523 CE2 TYR A 106 -3.654 0.102 7.991 1.00 33.15 C ATOM 1524 CZ TYR A 106 -3.746 1.322 8.629 1.00 63.33 C ATOM 1525 OH TYR A 106 -2.990 1.566 9.752 1.00 24.12 O ATOM 0 H TYR A 106 -7.002 0.162 2.864 1.00 25.13 H new ATOM 0 HA TYR A 106 -6.076 2.472 4.141 1.00 22.20 H new ATOM 0 HB2 TYR A 106 -7.160 0.703 5.368 1.00 21.40 H new ATOM 0 HB3 TYR A 106 -5.985 -0.483 4.834 1.00 21.40 H new ATOM 0 HD1 TYR A 106 -6.014 2.815 6.645 1.00 65.31 H new ATOM 0 HD2 TYR A 106 -4.340 -1.094 6.367 1.00 75.32 H new ATOM 0 HE1 TYR A 106 -4.661 3.253 8.646 1.00 11.22 H new ATOM 0 HE2 TYR A 106 -2.991 -0.661 8.371 1.00 33.15 H new ATOM 0 HH TYR A 106 -2.637 0.720 10.099 1.00 24.12 H new ATOM 1535 N SER A 107 -3.701 0.364 3.221 1.00 31.21 N ATOM 1536 CA SER A 107 -2.267 0.246 2.983 1.00 33.31 C ATOM 1537 C SER A 107 -1.835 1.134 1.820 1.00 23.33 C ATOM 1538 O SER A 107 -0.723 1.662 1.808 1.00 23.52 O ATOM 1539 CB SER A 107 -1.895 -1.210 2.694 1.00 0.22 C ATOM 1540 OG SER A 107 -1.271 -1.809 3.816 1.00 4.13 O ATOM 0 H SER A 107 -4.241 -0.461 2.960 1.00 31.21 H new ATOM 0 HA SER A 107 -1.746 0.575 3.882 1.00 33.31 H new ATOM 0 HB2 SER A 107 -2.791 -1.772 2.429 1.00 0.22 H new ATOM 0 HB3 SER A 107 -1.225 -1.254 1.835 1.00 0.22 H new ATOM 0 HG SER A 107 -1.045 -2.739 3.607 1.00 4.13 H new ATOM 1546 N SER A 108 -2.722 1.293 0.844 1.00 53.51 N ATOM 1547 CA SER A 108 -2.432 2.114 -0.326 1.00 73.01 C ATOM 1548 C SER A 108 -2.315 3.586 0.058 1.00 22.22 C ATOM 1549 O SER A 108 -1.646 4.365 -0.621 1.00 73.33 O ATOM 1550 CB SER A 108 -3.524 1.937 -1.383 1.00 31.30 C ATOM 1551 OG SER A 108 -3.516 3.009 -2.309 1.00 53.12 O ATOM 0 H SER A 108 -3.648 0.864 0.840 1.00 53.51 H new ATOM 0 HA SER A 108 -1.478 1.787 -0.740 1.00 73.01 H new ATOM 0 HB2 SER A 108 -3.374 0.995 -1.911 1.00 31.30 H new ATOM 0 HB3 SER A 108 -4.498 1.879 -0.898 1.00 31.30 H new ATOM 0 HG SER A 108 -4.222 2.871 -2.975 1.00 53.12 H new ATOM 1557 N SER A 109 -2.970 3.959 1.153 1.00 41.22 N ATOM 1558 CA SER A 109 -2.943 5.338 1.627 1.00 70.03 C ATOM 1559 C SER A 109 -1.973 5.492 2.794 1.00 42.40 C ATOM 1560 O SER A 109 -1.487 6.589 3.071 1.00 15.30 O ATOM 1561 CB SER A 109 -4.344 5.781 2.052 1.00 74.13 C ATOM 1562 OG SER A 109 -4.286 6.923 2.889 1.00 34.40 O ATOM 0 H SER A 109 -3.526 3.326 1.728 1.00 41.22 H new ATOM 0 HA SER A 109 -2.602 5.971 0.808 1.00 70.03 H new ATOM 0 HB2 SER A 109 -4.942 6.004 1.168 1.00 74.13 H new ATOM 0 HB3 SER A 109 -4.843 4.966 2.577 1.00 74.13 H new ATOM 0 HG SER A 109 -5.194 7.187 3.146 1.00 34.40 H new ATOM 1568 N ARG A 110 -1.695 4.385 3.475 1.00 40.24 N ATOM 1569 CA ARG A 110 -0.784 4.396 4.613 1.00 50.51 C ATOM 1570 C ARG A 110 0.581 4.949 4.212 1.00 54.03 C ATOM 1571 O ARG A 110 1.208 5.690 4.968 1.00 23.14 O ATOM 1572 CB ARG A 110 -0.627 2.985 5.182 1.00 54.11 C ATOM 1573 CG ARG A 110 -0.775 2.918 6.693 1.00 31.12 C ATOM 1574 CD ARG A 110 0.575 2.989 7.389 1.00 63.34 C ATOM 1575 NE ARG A 110 0.460 3.481 8.759 1.00 62.41 N ATOM 1576 CZ ARG A 110 0.091 2.720 9.784 1.00 44.50 C ATOM 1577 NH1 ARG A 110 -0.196 1.440 9.594 1.00 11.15 N ATOM 1578 NH2 ARG A 110 0.010 3.241 11.002 1.00 60.21 N ATOM 0 H ARG A 110 -2.088 3.469 3.258 1.00 40.24 H new ATOM 0 HA ARG A 110 -1.209 5.044 5.379 1.00 50.51 H new ATOM 0 HB2 ARG A 110 -1.370 2.333 4.723 1.00 54.11 H new ATOM 0 HB3 ARG A 110 0.353 2.597 4.904 1.00 54.11 H new ATOM 0 HG2 ARG A 110 -1.405 3.739 7.035 1.00 31.12 H new ATOM 0 HG3 ARG A 110 -1.280 1.992 6.969 1.00 31.12 H new ATOM 0 HD2 ARG A 110 1.031 1.999 7.397 1.00 63.34 H new ATOM 0 HD3 ARG A 110 1.240 3.642 6.824 1.00 63.34 H new ATOM 0 HE ARG A 110 0.674 4.462 8.939 1.00 62.41 H new ATOM 0 HH11 ARG A 110 -0.134 1.037 8.659 1.00 11.15 H new ATOM 0 HH12 ARG A 110 -0.479 0.858 10.383 1.00 11.15 H new ATOM 0 HH21 ARG A 110 0.231 4.226 11.151 1.00 60.21 H new ATOM 0 HH22 ARG A 110 -0.273 2.657 11.789 1.00 60.21 H new ATOM 1592 N ASP A 111 1.033 4.583 3.018 1.00 43.14 N ATOM 1593 CA ASP A 111 2.323 5.042 2.515 1.00 1.23 C ATOM 1594 C ASP A 111 2.348 6.562 2.391 1.00 52.53 C ATOM 1595 O ASP A 111 3.338 7.207 2.735 1.00 51.25 O ATOM 1596 CB ASP A 111 2.623 4.402 1.159 1.00 5.01 C ATOM 1597 CG ASP A 111 3.839 3.497 1.203 1.00 73.33 C ATOM 1598 OD1 ASP A 111 3.703 2.344 1.664 1.00 42.33 O ATOM 1599 OD2 ASP A 111 4.926 3.941 0.777 1.00 74.13 O ATOM 0 H ASP A 111 0.526 3.970 2.380 1.00 43.14 H new ATOM 0 HA ASP A 111 3.091 4.741 3.227 1.00 1.23 H new ATOM 0 HB2 ASP A 111 1.757 3.826 0.832 1.00 5.01 H new ATOM 0 HB3 ASP A 111 2.783 5.185 0.418 1.00 5.01 H new ATOM 1604 N ALA A 112 1.252 7.128 1.896 1.00 51.42 N ATOM 1605 CA ALA A 112 1.148 8.572 1.727 1.00 54.44 C ATOM 1606 C ALA A 112 0.833 9.259 3.051 1.00 31.03 C ATOM 1607 O ALA A 112 1.110 10.446 3.228 1.00 1.05 O ATOM 1608 CB ALA A 112 0.084 8.907 0.691 1.00 45.01 C ATOM 0 H ALA A 112 0.424 6.608 1.605 1.00 51.42 H new ATOM 0 HA ALA A 112 2.111 8.942 1.376 1.00 54.44 H new ATOM 0 HB1 ALA A 112 0.017 9.989 0.575 1.00 45.01 H new ATOM 0 HB2 ALA A 112 0.351 8.455 -0.264 1.00 45.01 H new ATOM 0 HB3 ALA A 112 -0.879 8.517 1.020 1.00 45.01 H new ATOM 1614 N LEU A 113 0.252 8.506 3.979 1.00 0.20 N ATOM 1615 CA LEU A 113 -0.101 9.043 5.289 1.00 74.23 C ATOM 1616 C LEU A 113 1.099 9.018 6.229 1.00 20.45 C ATOM 1617 O LEU A 113 1.179 9.806 7.172 1.00 63.31 O ATOM 1618 CB LEU A 113 -1.256 8.243 5.895 1.00 63.21 C ATOM 1619 CG LEU A 113 -2.649 8.852 5.739 1.00 14.54 C ATOM 1620 CD1 LEU A 113 -3.721 7.826 6.071 1.00 72.34 C ATOM 1621 CD2 LEU A 113 -2.795 10.082 6.623 1.00 11.55 C ATOM 0 H LEU A 113 0.015 7.522 3.849 1.00 0.20 H new ATOM 0 HA LEU A 113 -0.414 10.079 5.158 1.00 74.23 H new ATOM 0 HB2 LEU A 113 -1.262 7.252 5.442 1.00 63.21 H new ATOM 0 HB3 LEU A 113 -1.058 8.106 6.958 1.00 63.21 H new ATOM 0 HG LEU A 113 -2.776 9.157 4.700 1.00 14.54 H new ATOM 0 HD11 LEU A 113 -4.706 8.278 5.954 1.00 72.34 H new ATOM 0 HD12 LEU A 113 -3.631 6.974 5.397 1.00 72.34 H new ATOM 0 HD13 LEU A 113 -3.596 7.489 7.100 1.00 72.34 H new ATOM 0 HD21 LEU A 113 -3.793 10.503 6.499 1.00 11.55 H new ATOM 0 HD22 LEU A 113 -2.647 9.800 7.666 1.00 11.55 H new ATOM 0 HD23 LEU A 113 -2.050 10.825 6.338 1.00 11.55 H new ATOM 1633 N VAL A 114 2.032 8.108 5.966 1.00 11.10 N ATOM 1634 CA VAL A 114 3.230 7.982 6.787 1.00 44.22 C ATOM 1635 C VAL A 114 3.936 9.325 6.938 1.00 24.10 C ATOM 1636 O VAL A 114 4.186 9.802 8.045 1.00 21.13 O ATOM 1637 CB VAL A 114 4.216 6.961 6.188 1.00 31.03 C ATOM 1638 CG1 VAL A 114 5.648 7.330 6.543 1.00 22.54 C ATOM 1639 CG2 VAL A 114 3.883 5.556 6.668 1.00 5.21 C ATOM 0 H VAL A 114 1.981 7.447 5.191 1.00 11.10 H new ATOM 0 HA VAL A 114 2.907 7.632 7.767 1.00 44.22 H new ATOM 0 HB VAL A 114 4.120 6.982 5.102 1.00 31.03 H new ATOM 0 HG11 VAL A 114 6.330 6.598 6.111 1.00 22.54 H new ATOM 0 HG12 VAL A 114 5.878 8.319 6.146 1.00 22.54 H new ATOM 0 HG13 VAL A 114 5.763 7.339 7.627 1.00 22.54 H new ATOM 0 HG21 VAL A 114 4.589 4.847 6.236 1.00 5.21 H new ATOM 0 HG22 VAL A 114 3.950 5.518 7.755 1.00 5.21 H new ATOM 0 HG23 VAL A 114 2.871 5.296 6.357 1.00 5.21 H new ATOM 1649 N PRO A 115 4.267 9.951 5.799 1.00 55.41 N ATOM 1650 CA PRO A 115 4.948 11.249 5.778 1.00 12.20 C ATOM 1651 C PRO A 115 4.048 12.384 6.256 1.00 24.13 C ATOM 1652 O PRO A 115 4.519 13.353 6.854 1.00 34.21 O ATOM 1653 CB PRO A 115 5.307 11.438 4.302 1.00 21.50 C ATOM 1654 CG PRO A 115 4.306 10.620 3.561 1.00 22.32 C ATOM 1655 CD PRO A 115 4.000 9.441 4.444 1.00 54.34 C ATOM 0 HA PRO A 115 5.809 11.268 6.446 1.00 12.20 H new ATOM 0 HB2 PRO A 115 5.253 12.487 4.013 1.00 21.50 H new ATOM 0 HB3 PRO A 115 6.323 11.102 4.096 1.00 21.50 H new ATOM 0 HG2 PRO A 115 3.405 11.198 3.355 1.00 22.32 H new ATOM 0 HG3 PRO A 115 4.703 10.295 2.599 1.00 22.32 H new ATOM 0 HD2 PRO A 115 2.966 9.114 4.334 1.00 54.34 H new ATOM 0 HD3 PRO A 115 4.632 8.585 4.205 1.00 54.34 H new ATOM 1663 N LEU A 116 2.753 12.258 5.990 1.00 30.22 N ATOM 1664 CA LEU A 116 1.787 13.273 6.394 1.00 14.23 C ATOM 1665 C LEU A 116 1.672 13.342 7.914 1.00 43.12 C ATOM 1666 O LEU A 116 1.719 14.423 8.503 1.00 74.40 O ATOM 1667 CB LEU A 116 0.417 12.975 5.781 1.00 22.34 C ATOM 1668 CG LEU A 116 -0.333 14.173 5.199 1.00 13.14 C ATOM 1669 CD1 LEU A 116 -0.604 15.209 6.279 1.00 33.04 C ATOM 1670 CD2 LEU A 116 0.454 14.789 4.052 1.00 11.42 C ATOM 0 H LEU A 116 2.348 11.463 5.496 1.00 30.22 H new ATOM 0 HA LEU A 116 2.139 14.238 6.030 1.00 14.23 H new ATOM 0 HB2 LEU A 116 0.548 12.235 4.991 1.00 22.34 H new ATOM 0 HB3 LEU A 116 -0.209 12.517 6.546 1.00 22.34 H new ATOM 0 HG LEU A 116 -1.290 13.824 4.810 1.00 13.14 H new ATOM 0 HD11 LEU A 116 -1.139 16.055 5.846 1.00 33.04 H new ATOM 0 HD12 LEU A 116 -1.209 14.762 7.068 1.00 33.04 H new ATOM 0 HD13 LEU A 116 0.341 15.554 6.698 1.00 33.04 H new ATOM 0 HD21 LEU A 116 -0.095 15.640 3.650 1.00 11.42 H new ATOM 0 HD22 LEU A 116 1.426 15.123 4.416 1.00 11.42 H new ATOM 0 HD23 LEU A 116 0.596 14.046 3.268 1.00 11.42 H new ATOM 1682 N THR A 117 1.525 12.181 8.544 1.00 13.04 N ATOM 1683 CA THR A 117 1.405 12.109 9.995 1.00 30.10 C ATOM 1684 C THR A 117 2.710 11.645 10.632 1.00 72.40 C ATOM 1685 O THR A 117 2.766 10.580 11.247 1.00 14.32 O ATOM 1686 CB THR A 117 0.272 11.155 10.419 1.00 62.14 C ATOM 1687 OG1 THR A 117 0.299 9.973 9.610 1.00 12.41 O ATOM 1688 CG2 THR A 117 -1.083 11.833 10.290 1.00 52.44 C ATOM 0 H THR A 117 1.486 11.278 8.072 1.00 13.04 H new ATOM 0 HA THR A 117 1.171 13.115 10.343 1.00 30.10 H new ATOM 0 HB THR A 117 0.427 10.884 11.463 1.00 62.14 H new ATOM 0 HG1 THR A 117 0.303 10.225 8.663 1.00 12.41 H new ATOM 0 HG21 THR A 117 -1.867 11.140 10.595 1.00 52.44 H new ATOM 0 HG22 THR A 117 -1.110 12.716 10.929 1.00 52.44 H new ATOM 0 HG23 THR A 117 -1.244 12.130 9.254 1.00 52.44 H new ATOM 1696 N GLN A 118 3.756 12.450 10.481 1.00 62.14 N ATOM 1697 CA GLN A 118 5.061 12.120 11.042 1.00 51.11 C ATOM 1698 C GLN A 118 5.159 12.575 12.494 1.00 23.44 C ATOM 1699 O GLN A 118 4.983 13.753 12.800 1.00 41.22 O ATOM 1700 CB GLN A 118 6.174 12.768 10.216 1.00 75.11 C ATOM 1701 CG GLN A 118 7.452 11.947 10.167 1.00 31.33 C ATOM 1702 CD GLN A 118 8.700 12.807 10.206 1.00 72.23 C ATOM 1703 OE1 GLN A 118 9.415 12.839 11.208 1.00 71.15 O ATOM 1704 NE2 GLN A 118 8.968 13.510 9.112 1.00 63.13 N ATOM 0 H GLN A 118 3.726 13.335 9.975 1.00 62.14 H new ATOM 0 HA GLN A 118 5.179 11.037 11.010 1.00 51.11 H new ATOM 0 HB2 GLN A 118 5.815 12.927 9.199 1.00 75.11 H new ATOM 0 HB3 GLN A 118 6.399 13.750 10.632 1.00 75.11 H new ATOM 0 HG2 GLN A 118 7.467 11.254 11.008 1.00 31.33 H new ATOM 0 HG3 GLN A 118 7.458 11.345 9.258 1.00 31.33 H new ATOM 0 HE21 GLN A 118 8.348 13.453 8.304 1.00 63.13 H new ATOM 0 HE22 GLN A 118 9.794 14.107 9.079 1.00 63.13 H new ATOM 1713 N GLY A 119 5.442 11.631 13.387 1.00 32.41 N ATOM 1714 CA GLY A 119 5.558 11.954 14.797 1.00 21.11 C ATOM 1715 C GLY A 119 4.324 11.562 15.585 1.00 2.15 C ATOM 1716 O GLY A 119 4.105 12.052 16.693 1.00 10.25 O ATOM 0 H GLY A 119 5.593 10.648 13.159 1.00 32.41 H new ATOM 0 HA2 GLY A 119 6.428 11.445 15.213 1.00 21.11 H new ATOM 0 HA3 GLY A 119 5.732 13.024 14.908 1.00 21.11 H new ATOM 1720 N PHE A 120 3.514 10.677 15.013 1.00 5.42 N ATOM 1721 CA PHE A 120 2.294 10.222 15.669 1.00 60.04 C ATOM 1722 C PHE A 120 2.206 8.699 15.656 1.00 74.32 C ATOM 1723 O PHE A 120 2.695 8.047 14.734 1.00 72.32 O ATOM 1724 CB PHE A 120 1.066 10.821 14.980 1.00 0.21 C ATOM 1725 CG PHE A 120 1.119 12.317 14.854 1.00 24.05 C ATOM 1726 CD1 PHE A 120 1.507 13.102 15.928 1.00 15.23 C ATOM 1727 CD2 PHE A 120 0.782 12.938 13.663 1.00 72.24 C ATOM 1728 CE1 PHE A 120 1.557 14.479 15.816 1.00 21.01 C ATOM 1729 CE2 PHE A 120 0.831 14.314 13.544 1.00 31.13 C ATOM 1730 CZ PHE A 120 1.218 15.086 14.623 1.00 72.54 C ATOM 0 H PHE A 120 3.681 10.261 14.097 1.00 5.42 H new ATOM 0 HA PHE A 120 2.321 10.558 16.706 1.00 60.04 H new ATOM 0 HB2 PHE A 120 0.968 10.384 13.986 1.00 0.21 H new ATOM 0 HB3 PHE A 120 0.173 10.543 15.540 1.00 0.21 H new ATOM 0 HD1 PHE A 120 1.773 12.633 16.863 1.00 15.23 H new ATOM 0 HD2 PHE A 120 0.477 12.340 12.817 1.00 72.24 H new ATOM 0 HE1 PHE A 120 1.861 15.079 16.661 1.00 21.01 H new ATOM 0 HE2 PHE A 120 0.567 14.785 12.609 1.00 31.13 H new ATOM 0 HZ PHE A 120 1.255 16.162 14.533 1.00 72.54 H new ATOM 1740 N GLN A 121 1.579 8.140 16.686 1.00 71.41 N ATOM 1741 CA GLN A 121 1.427 6.693 16.794 1.00 45.41 C ATOM 1742 C GLN A 121 0.258 6.204 15.946 1.00 30.33 C ATOM 1743 O GLN A 121 -0.856 6.714 16.054 1.00 52.12 O ATOM 1744 CB GLN A 121 1.219 6.289 18.254 1.00 30.13 C ATOM 1745 CG GLN A 121 2.479 5.769 18.927 1.00 32.43 C ATOM 1746 CD GLN A 121 3.412 6.882 19.359 1.00 2.32 C ATOM 1747 OE1 GLN A 121 4.349 7.235 18.643 1.00 44.42 O ATOM 1748 NE2 GLN A 121 3.160 7.443 20.536 1.00 25.03 N ATOM 0 H GLN A 121 1.168 8.666 17.457 1.00 71.41 H new ATOM 0 HA GLN A 121 2.340 6.228 16.423 1.00 45.41 H new ATOM 0 HB2 GLN A 121 0.848 7.149 18.811 1.00 30.13 H new ATOM 0 HB3 GLN A 121 0.447 5.521 18.303 1.00 30.13 H new ATOM 0 HG2 GLN A 121 2.202 5.174 19.797 1.00 32.43 H new ATOM 0 HG3 GLN A 121 3.005 5.105 18.241 1.00 32.43 H new ATOM 0 HE21 GLN A 121 2.372 7.119 21.097 1.00 25.03 H new ATOM 0 HE22 GLN A 121 3.754 8.198 20.879 1.00 25.03 H new ATOM 1757 N GLY A 122 0.520 5.210 15.102 1.00 1.23 N ATOM 1758 CA GLY A 122 -0.521 4.669 14.248 1.00 24.51 C ATOM 1759 C GLY A 122 -1.099 3.376 14.788 1.00 35.20 C ATOM 1760 O GLY A 122 -0.390 2.378 14.921 1.00 40.22 O ATOM 0 H GLY A 122 1.434 4.770 14.995 1.00 1.23 H new ATOM 0 HA2 GLY A 122 -1.319 5.404 14.143 1.00 24.51 H new ATOM 0 HA3 GLY A 122 -0.115 4.494 13.252 1.00 24.51 H new ATOM 1764 N ILE A 123 -2.391 3.393 15.102 1.00 45.15 N ATOM 1765 CA ILE A 123 -3.063 2.213 15.631 1.00 55.33 C ATOM 1766 C ILE A 123 -4.331 1.903 14.841 1.00 25.21 C ATOM 1767 O ILE A 123 -5.245 2.724 14.769 1.00 64.52 O ATOM 1768 CB ILE A 123 -3.429 2.392 17.116 1.00 4.31 C ATOM 1769 CG1 ILE A 123 -2.316 3.143 17.850 1.00 11.54 C ATOM 1770 CG2 ILE A 123 -3.681 1.040 17.766 1.00 4.12 C ATOM 1771 CD1 ILE A 123 -0.967 2.465 17.760 1.00 51.13 C ATOM 0 H ILE A 123 -2.992 4.211 14.999 1.00 45.15 H new ATOM 0 HA ILE A 123 -2.364 1.382 15.535 1.00 55.33 H new ATOM 0 HB ILE A 123 -4.344 2.981 17.182 1.00 4.31 H new ATOM 0 HG12 ILE A 123 -2.236 4.149 17.439 1.00 11.54 H new ATOM 0 HG13 ILE A 123 -2.591 3.248 18.899 1.00 11.54 H new ATOM 0 HG21 ILE A 123 -3.939 1.183 18.815 1.00 4.12 H new ATOM 0 HG22 ILE A 123 -4.503 0.539 17.256 1.00 4.12 H new ATOM 0 HG23 ILE A 123 -2.782 0.428 17.693 1.00 4.12 H new ATOM 0 HD11 ILE A 123 -0.227 3.053 18.303 1.00 51.13 H new ATOM 0 HD12 ILE A 123 -1.031 1.469 18.198 1.00 51.13 H new ATOM 0 HD13 ILE A 123 -0.670 2.384 16.714 1.00 51.13 H new ATOM 1783 N GLN A 124 -4.378 0.712 14.253 1.00 65.03 N ATOM 1784 CA GLN A 124 -5.534 0.293 13.469 1.00 24.33 C ATOM 1785 C GLN A 124 -6.462 -0.589 14.298 1.00 61.21 C ATOM 1786 O GLN A 124 -6.087 -1.686 14.711 1.00 4.00 O ATOM 1787 CB GLN A 124 -5.082 -0.458 12.216 1.00 64.52 C ATOM 1788 CG GLN A 124 -4.187 -1.651 12.511 1.00 61.51 C ATOM 1789 CD GLN A 124 -4.818 -2.969 12.106 1.00 52.23 C ATOM 1790 OE1 GLN A 124 -5.273 -3.130 10.973 1.00 65.23 O ATOM 1791 NE2 GLN A 124 -4.850 -3.920 13.032 1.00 62.13 N ATOM 0 H GLN A 124 -3.630 0.021 14.304 1.00 65.03 H new ATOM 0 HA GLN A 124 -6.082 1.186 13.170 1.00 24.33 H new ATOM 0 HB2 GLN A 124 -5.962 -0.800 11.671 1.00 64.52 H new ATOM 0 HB3 GLN A 124 -4.550 0.232 11.561 1.00 64.52 H new ATOM 0 HG2 GLN A 124 -3.240 -1.529 11.985 1.00 61.51 H new ATOM 0 HG3 GLN A 124 -3.959 -1.674 13.577 1.00 61.51 H new ATOM 0 HE21 GLN A 124 -4.461 -3.743 13.958 1.00 62.13 H new ATOM 0 HE22 GLN A 124 -5.263 -4.827 12.817 1.00 62.13 H new ATOM 1800 N ALA A 125 -7.675 -0.102 14.537 1.00 30.23 N ATOM 1801 CA ALA A 125 -8.657 -0.847 15.315 1.00 13.12 C ATOM 1802 C ALA A 125 -10.076 -0.534 14.852 1.00 70.33 C ATOM 1803 O ALA A 125 -10.421 0.623 14.616 1.00 71.30 O ATOM 1804 CB ALA A 125 -8.503 -0.536 16.797 1.00 54.34 C ATOM 0 H ALA A 125 -8.001 0.805 14.203 1.00 30.23 H new ATOM 0 HA ALA A 125 -8.477 -1.910 15.158 1.00 13.12 H new ATOM 0 HB1 ALA A 125 -9.243 -1.099 17.366 1.00 54.34 H new ATOM 0 HB2 ALA A 125 -7.502 -0.816 17.126 1.00 54.34 H new ATOM 0 HB3 ALA A 125 -8.654 0.531 16.962 1.00 54.34 H new ATOM 1810 N ASN A 126 -10.894 -1.574 14.722 1.00 0.14 N ATOM 1811 CA ASN A 126 -12.276 -1.410 14.285 1.00 4.44 C ATOM 1812 C ASN A 126 -13.234 -1.493 15.469 1.00 12.24 C ATOM 1813 O ASN A 126 -12.922 -2.103 16.492 1.00 34.30 O ATOM 1814 CB ASN A 126 -12.635 -2.476 13.248 1.00 4.23 C ATOM 1815 CG ASN A 126 -12.954 -3.816 13.883 1.00 2.52 C ATOM 1816 OD1 ASN A 126 -14.119 -4.193 14.011 1.00 42.34 O ATOM 1817 ND2 ASN A 126 -11.917 -4.541 14.285 1.00 31.53 N ATOM 0 H ASN A 126 -10.624 -2.539 14.913 1.00 0.14 H new ATOM 0 HA ASN A 126 -12.373 -0.424 13.831 1.00 4.44 H new ATOM 0 HB2 ASN A 126 -13.493 -2.139 12.667 1.00 4.23 H new ATOM 0 HB3 ASN A 126 -11.805 -2.595 12.551 1.00 4.23 H new ATOM 0 HD21 ASN A 126 -12.069 -5.451 14.720 1.00 31.53 H new ATOM 0 HD22 ASN A 126 -10.968 -4.188 14.158 1.00 31.53 H new ATOM 1824 N ASP A 127 -14.401 -0.876 15.323 1.00 53.51 N ATOM 1825 CA ASP A 127 -15.407 -0.881 16.379 1.00 1.31 C ATOM 1826 C ASP A 127 -14.895 -0.157 17.621 1.00 64.53 C ATOM 1827 O ASP A 127 -13.931 0.605 17.554 1.00 61.14 O ATOM 1828 CB ASP A 127 -15.797 -2.316 16.734 1.00 23.44 C ATOM 1829 CG ASP A 127 -17.284 -2.467 16.988 1.00 42.34 C ATOM 1830 OD1 ASP A 127 -18.072 -2.225 16.050 1.00 12.21 O ATOM 1831 OD2 ASP A 127 -17.659 -2.826 18.124 1.00 54.45 O ATOM 0 H ASP A 127 -14.674 -0.366 14.483 1.00 53.51 H new ATOM 0 HA ASP A 127 -16.287 -0.354 16.011 1.00 1.31 H new ATOM 0 HB2 ASP A 127 -15.501 -2.981 15.923 1.00 23.44 H new ATOM 0 HB3 ASP A 127 -15.246 -2.630 17.621 1.00 23.44 H new ATOM 1836 N ALA A 128 -15.547 -0.401 18.753 1.00 62.53 N ATOM 1837 CA ALA A 128 -15.157 0.226 20.009 1.00 22.44 C ATOM 1838 C ALA A 128 -13.674 0.012 20.292 1.00 5.53 C ATOM 1839 O ALA A 128 -13.045 0.806 20.993 1.00 33.32 O ATOM 1840 CB ALA A 128 -15.998 -0.319 21.154 1.00 0.13 C ATOM 0 H ALA A 128 -16.348 -1.029 18.826 1.00 62.53 H new ATOM 0 HA ALA A 128 -15.333 1.298 19.921 1.00 22.44 H new ATOM 0 HB1 ALA A 128 -15.696 0.158 22.086 1.00 0.13 H new ATOM 0 HB2 ALA A 128 -17.051 -0.110 20.964 1.00 0.13 H new ATOM 0 HB3 ALA A 128 -15.851 -1.396 21.233 1.00 0.13 H new ATOM 1846 N SER A 129 -13.120 -1.064 19.743 1.00 2.11 N ATOM 1847 CA SER A 129 -11.711 -1.384 19.940 1.00 1.34 C ATOM 1848 C SER A 129 -10.821 -0.255 19.429 1.00 62.12 C ATOM 1849 O SER A 129 -9.665 -0.130 19.831 1.00 10.22 O ATOM 1850 CB SER A 129 -11.358 -2.690 19.227 1.00 61.21 C ATOM 1851 OG SER A 129 -10.993 -3.696 20.156 1.00 64.01 O ATOM 0 H SER A 129 -13.626 -1.729 19.158 1.00 2.11 H new ATOM 0 HA SER A 129 -11.537 -1.504 21.009 1.00 1.34 H new ATOM 0 HB2 SER A 129 -12.210 -3.028 18.637 1.00 61.21 H new ATOM 0 HB3 SER A 129 -10.537 -2.518 18.531 1.00 61.21 H new ATOM 0 HG SER A 129 -10.774 -4.521 19.675 1.00 64.01 H new ATOM 1857 N GLY A 130 -11.369 0.565 18.538 1.00 54.24 N ATOM 1858 CA GLY A 130 -10.612 1.673 17.985 1.00 74.05 C ATOM 1859 C GLY A 130 -10.913 2.985 18.681 1.00 41.53 C ATOM 1860 O GLY A 130 -10.620 4.059 18.152 1.00 24.31 O ATOM 0 H GLY A 130 -12.324 0.482 18.189 1.00 54.24 H new ATOM 0 HA2 GLY A 130 -9.547 1.458 18.067 1.00 74.05 H new ATOM 0 HA3 GLY A 130 -10.837 1.769 16.923 1.00 74.05 H new ATOM 1864 N LEU A 131 -11.501 2.902 19.869 1.00 62.10 N ATOM 1865 CA LEU A 131 -11.843 4.093 20.639 1.00 73.14 C ATOM 1866 C LEU A 131 -11.592 3.871 22.127 1.00 64.35 C ATOM 1867 O LEU A 131 -12.212 4.513 22.974 1.00 72.20 O ATOM 1868 CB LEU A 131 -13.308 4.469 20.408 1.00 0.32 C ATOM 1869 CG LEU A 131 -13.783 4.459 18.955 1.00 42.52 C ATOM 1870 CD1 LEU A 131 -15.294 4.612 18.886 1.00 34.30 C ATOM 1871 CD2 LEU A 131 -13.097 5.563 18.162 1.00 33.12 C ATOM 0 H LEU A 131 -11.751 2.022 20.320 1.00 62.10 H new ATOM 0 HA LEU A 131 -11.206 4.910 20.300 1.00 73.14 H new ATOM 0 HB2 LEU A 131 -13.933 3.781 20.978 1.00 0.32 H new ATOM 0 HB3 LEU A 131 -13.475 5.465 20.817 1.00 0.32 H new ATOM 0 HG LEU A 131 -13.515 3.500 18.512 1.00 42.52 H new ATOM 0 HD11 LEU A 131 -15.613 4.603 17.844 1.00 34.30 H new ATOM 0 HD12 LEU A 131 -15.768 3.787 19.418 1.00 34.30 H new ATOM 0 HD13 LEU A 131 -15.586 5.556 19.346 1.00 34.30 H new ATOM 0 HD21 LEU A 131 -13.447 5.541 17.130 1.00 33.12 H new ATOM 0 HD22 LEU A 131 -13.334 6.530 18.605 1.00 33.12 H new ATOM 0 HD23 LEU A 131 -12.018 5.409 18.183 1.00 33.12 H new ATOM 1883 N ASP A 132 -10.676 2.959 22.437 1.00 52.34 N ATOM 1884 CA ASP A 132 -10.339 2.655 23.822 1.00 34.44 C ATOM 1885 C ASP A 132 -9.429 3.729 24.409 1.00 24.40 C ATOM 1886 O ASP A 132 -8.297 3.912 23.959 1.00 33.51 O ATOM 1887 CB ASP A 132 -9.662 1.287 23.916 1.00 64.30 C ATOM 1888 CG ASP A 132 -10.655 0.143 23.860 1.00 53.15 C ATOM 1889 OD1 ASP A 132 -11.812 0.381 23.452 1.00 2.12 O ATOM 1890 OD2 ASP A 132 -10.276 -0.990 24.222 1.00 72.02 O ATOM 0 H ASP A 132 -10.154 2.418 21.747 1.00 52.34 H new ATOM 0 HA ASP A 132 -11.264 2.634 24.399 1.00 34.44 H new ATOM 0 HB2 ASP A 132 -8.946 1.183 23.101 1.00 64.30 H new ATOM 0 HB3 ASP A 132 -9.097 1.228 24.846 1.00 64.30 H new ATOM 1895 N PHE A 133 -9.930 4.437 25.415 1.00 1.32 N ATOM 1896 CA PHE A 133 -9.162 5.495 26.062 1.00 34.04 C ATOM 1897 C PHE A 133 -7.872 4.943 26.660 1.00 65.43 C ATOM 1898 O PHE A 133 -6.791 5.490 26.442 1.00 13.33 O ATOM 1899 CB PHE A 133 -9.998 6.165 27.155 1.00 22.34 C ATOM 1900 CG PHE A 133 -11.353 6.611 26.686 1.00 61.44 C ATOM 1901 CD1 PHE A 133 -11.496 7.772 25.944 1.00 12.21 C ATOM 1902 CD2 PHE A 133 -12.484 5.868 26.986 1.00 3.31 C ATOM 1903 CE1 PHE A 133 -12.742 8.185 25.510 1.00 42.11 C ATOM 1904 CE2 PHE A 133 -13.732 6.276 26.554 1.00 23.04 C ATOM 1905 CZ PHE A 133 -13.861 7.436 25.816 1.00 11.45 C ATOM 0 H PHE A 133 -10.864 4.298 25.800 1.00 1.32 H new ATOM 0 HA PHE A 133 -8.903 6.236 25.306 1.00 34.04 H new ATOM 0 HB2 PHE A 133 -10.121 5.469 27.985 1.00 22.34 H new ATOM 0 HB3 PHE A 133 -9.454 7.027 27.540 1.00 22.34 H new ATOM 0 HD1 PHE A 133 -10.624 8.361 25.702 1.00 12.21 H new ATOM 0 HD2 PHE A 133 -12.389 4.960 27.564 1.00 3.31 H new ATOM 0 HE1 PHE A 133 -12.840 9.092 24.932 1.00 42.11 H new ATOM 0 HE2 PHE A 133 -14.606 5.688 26.793 1.00 23.04 H new ATOM 0 HZ PHE A 133 -14.835 7.757 25.479 1.00 11.45 H new ATOM 1915 N GLU A 134 -7.994 3.855 27.414 1.00 65.41 N ATOM 1916 CA GLU A 134 -6.837 3.229 28.044 1.00 42.11 C ATOM 1917 C GLU A 134 -5.793 2.841 27.001 1.00 43.02 C ATOM 1918 O GLU A 134 -4.592 2.883 27.265 1.00 3.31 O ATOM 1919 CB GLU A 134 -7.266 1.992 28.836 1.00 12.52 C ATOM 1920 CG GLU A 134 -6.946 2.078 30.319 1.00 11.30 C ATOM 1921 CD GLU A 134 -6.893 0.717 30.984 1.00 34.42 C ATOM 1922 OE1 GLU A 134 -7.336 -0.268 30.355 1.00 11.44 O ATOM 1923 OE2 GLU A 134 -6.410 0.635 32.133 1.00 73.13 O ATOM 0 H GLU A 134 -8.881 3.389 27.603 1.00 65.41 H new ATOM 0 HA GLU A 134 -6.392 3.953 28.727 1.00 42.11 H new ATOM 0 HB2 GLU A 134 -8.339 1.846 28.712 1.00 12.52 H new ATOM 0 HB3 GLU A 134 -6.774 1.114 28.417 1.00 12.52 H new ATOM 0 HG2 GLU A 134 -5.988 2.581 30.452 1.00 11.30 H new ATOM 0 HG3 GLU A 134 -7.699 2.691 30.814 1.00 11.30 H new ATOM 1930 N GLU A 135 -6.261 2.463 25.816 1.00 60.34 N ATOM 1931 CA GLU A 135 -5.368 2.066 24.733 1.00 21.34 C ATOM 1932 C GLU A 135 -4.561 3.258 24.229 1.00 41.53 C ATOM 1933 O GLU A 135 -3.371 3.137 23.936 1.00 20.02 O ATOM 1934 CB GLU A 135 -6.167 1.453 23.582 1.00 71.44 C ATOM 1935 CG GLU A 135 -5.304 0.742 22.552 1.00 12.15 C ATOM 1936 CD GLU A 135 -5.160 -0.741 22.836 1.00 43.51 C ATOM 1937 OE1 GLU A 135 -4.401 -1.096 23.762 1.00 2.42 O ATOM 1938 OE2 GLU A 135 -5.805 -1.545 22.132 1.00 24.41 O ATOM 0 H GLU A 135 -7.253 2.423 25.581 1.00 60.34 H new ATOM 0 HA GLU A 135 -4.676 1.320 25.122 1.00 21.34 H new ATOM 0 HB2 GLU A 135 -6.889 0.745 23.989 1.00 71.44 H new ATOM 0 HB3 GLU A 135 -6.736 2.240 23.086 1.00 71.44 H new ATOM 0 HG2 GLU A 135 -5.740 0.878 21.562 1.00 12.15 H new ATOM 0 HG3 GLU A 135 -4.316 1.202 22.531 1.00 12.15 H new ATOM 1945 N ILE A 136 -5.217 4.410 24.129 1.00 72.51 N ATOM 1946 CA ILE A 136 -4.561 5.624 23.660 1.00 14.03 C ATOM 1947 C ILE A 136 -3.527 6.114 24.668 1.00 63.22 C ATOM 1948 O ILE A 136 -2.397 6.440 24.304 1.00 61.30 O ATOM 1949 CB ILE A 136 -5.580 6.749 23.400 1.00 52.24 C ATOM 1950 CG1 ILE A 136 -6.598 6.311 22.344 1.00 3.02 C ATOM 1951 CG2 ILE A 136 -4.866 8.019 22.960 1.00 33.31 C ATOM 1952 CD1 ILE A 136 -5.974 5.966 21.010 1.00 1.00 C ATOM 0 H ILE A 136 -6.202 4.528 24.367 1.00 72.51 H new ATOM 0 HA ILE A 136 -4.062 5.372 22.724 1.00 14.03 H new ATOM 0 HB ILE A 136 -6.113 6.958 24.327 1.00 52.24 H new ATOM 0 HG12 ILE A 136 -7.145 5.444 22.715 1.00 3.02 H new ATOM 0 HG13 ILE A 136 -7.326 7.109 22.200 1.00 3.02 H new ATOM 0 HG21 ILE A 136 -5.599 8.805 22.780 1.00 33.31 H new ATOM 0 HG22 ILE A 136 -4.176 8.338 23.742 1.00 33.31 H new ATOM 0 HG23 ILE A 136 -4.310 7.825 22.043 1.00 33.31 H new ATOM 0 HD11 ILE A 136 -6.754 5.664 20.311 1.00 1.00 H new ATOM 0 HD12 ILE A 136 -5.451 6.838 20.617 1.00 1.00 H new ATOM 0 HD13 ILE A 136 -5.267 5.147 21.140 1.00 1.00 H new ATOM 1964 N SER A 137 -3.920 6.161 25.936 1.00 14.34 N ATOM 1965 CA SER A 137 -3.028 6.613 26.997 1.00 2.13 C ATOM 1966 C SER A 137 -1.818 5.691 27.119 1.00 51.43 C ATOM 1967 O SER A 137 -0.694 6.148 27.329 1.00 54.44 O ATOM 1968 CB SER A 137 -3.775 6.671 28.331 1.00 1.12 C ATOM 1969 OG SER A 137 -4.410 7.926 28.506 1.00 71.33 O ATOM 0 H SER A 137 -4.851 5.891 26.254 1.00 14.34 H new ATOM 0 HA SER A 137 -2.677 7.613 26.741 1.00 2.13 H new ATOM 0 HB2 SER A 137 -4.519 5.875 28.370 1.00 1.12 H new ATOM 0 HB3 SER A 137 -3.077 6.496 29.150 1.00 1.12 H new ATOM 0 HG SER A 137 -4.882 7.937 29.365 1.00 71.33 H new ATOM 1975 N ARG A 138 -2.057 4.391 26.985 1.00 32.11 N ATOM 1976 CA ARG A 138 -0.989 3.404 27.081 1.00 64.21 C ATOM 1977 C ARG A 138 -0.053 3.498 25.880 1.00 65.35 C ATOM 1978 O ARG A 138 1.159 3.320 26.007 1.00 21.21 O ATOM 1979 CB ARG A 138 -1.575 1.994 27.175 1.00 23.13 C ATOM 1980 CG ARG A 138 -0.540 0.923 27.482 1.00 51.52 C ATOM 1981 CD ARG A 138 -0.263 0.053 26.266 1.00 24.34 C ATOM 1982 NE ARG A 138 0.161 -1.293 26.643 1.00 73.53 N ATOM 1983 CZ ARG A 138 0.316 -2.285 25.773 1.00 75.32 C ATOM 1984 NH1 ARG A 138 0.084 -2.083 24.483 1.00 14.42 N ATOM 1985 NH2 ARG A 138 0.704 -3.483 26.192 1.00 13.22 N ATOM 0 H ARG A 138 -2.981 3.997 26.810 1.00 32.11 H new ATOM 0 HA ARG A 138 -0.416 3.613 27.984 1.00 64.21 H new ATOM 0 HB2 ARG A 138 -2.341 1.979 27.950 1.00 23.13 H new ATOM 0 HB3 ARG A 138 -2.068 1.751 26.234 1.00 23.13 H new ATOM 0 HG2 ARG A 138 0.386 1.394 27.813 1.00 51.52 H new ATOM 0 HG3 ARG A 138 -0.892 0.300 28.304 1.00 51.52 H new ATOM 0 HD2 ARG A 138 -1.161 -0.008 25.652 1.00 24.34 H new ATOM 0 HD3 ARG A 138 0.510 0.519 25.655 1.00 24.34 H new ATOM 0 HE ARG A 138 0.348 -1.482 27.628 1.00 73.53 H new ATOM 0 HH11 ARG A 138 -0.214 -1.164 24.156 1.00 14.42 H new ATOM 0 HH12 ARG A 138 0.204 -2.847 23.818 1.00 14.42 H new ATOM 0 HH21 ARG A 138 0.884 -3.643 27.183 1.00 13.22 H new ATOM 0 HH22 ARG A 138 0.823 -4.244 25.523 1.00 13.22 H new ATOM 1999 N LYS A 139 -0.622 3.778 24.712 1.00 35.24 N ATOM 2000 CA LYS A 139 0.159 3.896 23.487 1.00 4.45 C ATOM 2001 C LYS A 139 1.110 5.087 23.562 1.00 61.11 C ATOM 2002 O LYS A 139 2.297 4.966 23.260 1.00 25.31 O ATOM 2003 CB LYS A 139 -0.767 4.045 22.279 1.00 55.12 C ATOM 2004 CG LYS A 139 -0.760 2.840 21.355 1.00 74.51 C ATOM 2005 CD LYS A 139 -1.131 1.566 22.097 1.00 50.33 C ATOM 2006 CE LYS A 139 -1.395 0.418 21.135 1.00 30.32 C ATOM 2007 NZ LYS A 139 -0.433 -0.702 21.331 1.00 31.02 N ATOM 0 H LYS A 139 -1.623 3.928 24.589 1.00 35.24 H new ATOM 0 HA LYS A 139 0.750 2.987 23.373 1.00 4.45 H new ATOM 0 HB2 LYS A 139 -1.784 4.217 22.631 1.00 55.12 H new ATOM 0 HB3 LYS A 139 -0.472 4.928 21.713 1.00 55.12 H new ATOM 0 HG2 LYS A 139 -1.462 3.003 20.537 1.00 74.51 H new ATOM 0 HG3 LYS A 139 0.228 2.728 20.909 1.00 74.51 H new ATOM 0 HD2 LYS A 139 -0.326 1.293 22.779 1.00 50.33 H new ATOM 0 HD3 LYS A 139 -2.018 1.743 22.706 1.00 50.33 H new ATOM 0 HE2 LYS A 139 -2.412 0.052 21.276 1.00 30.32 H new ATOM 0 HE3 LYS A 139 -1.326 0.780 20.109 1.00 30.32 H new ATOM 0 HZ1 LYS A 139 -0.498 -1.360 20.528 1.00 31.02 H new ATOM 0 HZ2 LYS A 139 0.534 -0.323 21.390 1.00 31.02 H new ATOM 0 HZ3 LYS A 139 -0.662 -1.206 22.211 1.00 31.02 H new ATOM 2021 N VAL A 140 0.581 6.237 23.967 1.00 74.11 N ATOM 2022 CA VAL A 140 1.383 7.449 24.084 1.00 72.24 C ATOM 2023 C VAL A 140 2.403 7.326 25.210 1.00 43.15 C ATOM 2024 O VAL A 140 3.534 7.799 25.093 1.00 52.55 O ATOM 2025 CB VAL A 140 0.499 8.684 24.339 1.00 43.43 C ATOM 2026 CG1 VAL A 140 -0.317 8.504 25.610 1.00 41.25 C ATOM 2027 CG2 VAL A 140 1.352 9.942 24.417 1.00 70.34 C ATOM 0 H VAL A 140 -0.400 6.355 24.220 1.00 74.11 H new ATOM 0 HA VAL A 140 1.906 7.576 23.136 1.00 72.24 H new ATOM 0 HB VAL A 140 -0.193 8.792 23.504 1.00 43.43 H new ATOM 0 HG11 VAL A 140 -0.935 9.387 25.774 1.00 41.25 H new ATOM 0 HG12 VAL A 140 -0.956 7.627 25.511 1.00 41.25 H new ATOM 0 HG13 VAL A 140 0.355 8.370 26.458 1.00 41.25 H new ATOM 0 HG21 VAL A 140 0.711 10.805 24.598 1.00 70.34 H new ATOM 0 HG22 VAL A 140 2.069 9.845 25.232 1.00 70.34 H new ATOM 0 HG23 VAL A 140 1.887 10.078 23.477 1.00 70.34 H new ATOM 2037 N LYS A 141 1.997 6.687 26.301 1.00 23.23 N ATOM 2038 CA LYS A 141 2.876 6.499 27.450 1.00 52.02 C ATOM 2039 C LYS A 141 4.047 5.588 27.096 1.00 74.51 C ATOM 2040 O LYS A 141 5.144 5.734 27.634 1.00 31.41 O ATOM 2041 CB LYS A 141 2.093 5.909 28.625 1.00 25.12 C ATOM 2042 CG LYS A 141 2.916 5.771 29.895 1.00 73.52 C ATOM 2043 CD LYS A 141 2.629 4.458 30.605 1.00 52.04 C ATOM 2044 CE LYS A 141 3.701 4.136 31.635 1.00 74.54 C ATOM 2045 NZ LYS A 141 3.368 4.694 32.974 1.00 22.25 N ATOM 0 H LYS A 141 1.064 6.290 26.415 1.00 23.23 H new ATOM 0 HA LYS A 141 3.271 7.473 27.737 1.00 52.02 H new ATOM 0 HB2 LYS A 141 1.229 6.541 28.829 1.00 25.12 H new ATOM 0 HB3 LYS A 141 1.711 4.928 28.341 1.00 25.12 H new ATOM 0 HG2 LYS A 141 3.977 5.829 29.651 1.00 73.52 H new ATOM 0 HG3 LYS A 141 2.697 6.603 30.564 1.00 73.52 H new ATOM 0 HD2 LYS A 141 1.657 4.513 31.095 1.00 52.04 H new ATOM 0 HD3 LYS A 141 2.572 3.652 29.873 1.00 52.04 H new ATOM 0 HE2 LYS A 141 3.819 3.055 31.711 1.00 74.54 H new ATOM 0 HE3 LYS A 141 4.658 4.538 31.302 1.00 74.54 H new ATOM 0 HZ1 LYS A 141 4.123 4.453 33.648 1.00 22.25 H new ATOM 0 HZ2 LYS A 141 3.281 5.728 32.907 1.00 22.25 H new ATOM 0 HZ3 LYS A 141 2.468 4.291 33.304 1.00 22.25 H new ATOM 2059 N SER A 142 3.806 4.648 26.187 1.00 53.22 N ATOM 2060 CA SER A 142 4.840 3.712 25.763 1.00 72.32 C ATOM 2061 C SER A 142 5.760 4.351 24.727 1.00 30.31 C ATOM 2062 O SER A 142 6.975 4.160 24.759 1.00 71.03 O ATOM 2063 CB SER A 142 4.205 2.445 25.185 1.00 11.23 C ATOM 2064 OG SER A 142 4.018 1.464 26.191 1.00 40.32 O ATOM 0 H SER A 142 2.904 4.515 25.730 1.00 53.22 H new ATOM 0 HA SER A 142 5.435 3.446 26.637 1.00 72.32 H new ATOM 0 HB2 SER A 142 3.246 2.691 24.729 1.00 11.23 H new ATOM 0 HB3 SER A 142 4.840 2.044 24.395 1.00 11.23 H new ATOM 0 HG SER A 142 3.609 0.665 25.797 1.00 40.32 H new ATOM 2070 N ASN A 143 5.170 5.110 23.810 1.00 44.24 N ATOM 2071 CA ASN A 143 5.936 5.778 22.763 1.00 30.30 C ATOM 2072 C ASN A 143 6.667 4.761 21.891 1.00 12.12 C ATOM 2073 O ASN A 143 7.818 4.970 21.509 1.00 41.15 O ATOM 2074 CB ASN A 143 6.941 6.753 23.380 1.00 33.33 C ATOM 2075 CG ASN A 143 7.390 7.818 22.399 1.00 12.32 C ATOM 2076 OD1 ASN A 143 6.574 8.571 21.866 1.00 30.33 O ATOM 2077 ND2 ASN A 143 8.693 7.887 22.156 1.00 65.41 N ATOM 0 H ASN A 143 4.165 5.278 23.770 1.00 44.24 H new ATOM 0 HA ASN A 143 5.239 6.334 22.136 1.00 30.30 H new ATOM 0 HB2 ASN A 143 6.492 7.231 24.251 1.00 33.33 H new ATOM 0 HB3 ASN A 143 7.810 6.199 23.734 1.00 33.33 H new ATOM 0 HD21 ASN A 143 9.054 8.584 21.505 1.00 65.41 H new ATOM 0 HD22 ASN A 143 9.333 7.243 22.620 1.00 65.41 H new ATOM 2084 N ARG A 144 5.989 3.661 21.581 1.00 64.42 N ATOM 2085 CA ARG A 144 6.574 2.611 20.755 1.00 41.13 C ATOM 2086 C ARG A 144 5.487 1.732 20.142 1.00 2.35 C ATOM 2087 O ARG A 144 5.314 1.700 18.924 1.00 44.30 O ATOM 2088 CB ARG A 144 7.531 1.753 21.584 1.00 3.43 C ATOM 2089 CG ARG A 144 6.855 1.025 22.734 1.00 22.04 C ATOM 2090 CD ARG A 144 7.742 -0.075 23.295 1.00 24.33 C ATOM 2091 NE ARG A 144 6.963 -1.197 23.813 1.00 52.41 N ATOM 2092 CZ ARG A 144 6.296 -2.047 23.040 1.00 11.22 C ATOM 2093 NH1 ARG A 144 6.314 -1.904 21.722 1.00 23.31 N ATOM 2094 NH2 ARG A 144 5.609 -3.043 23.586 1.00 42.52 N ATOM 0 H ARG A 144 5.035 3.473 21.889 1.00 64.42 H new ATOM 0 HA ARG A 144 7.131 3.087 19.948 1.00 41.13 H new ATOM 0 HB2 ARG A 144 8.007 1.021 20.932 1.00 3.43 H new ATOM 0 HB3 ARG A 144 8.323 2.388 21.982 1.00 3.43 H new ATOM 0 HG2 ARG A 144 6.612 1.736 23.524 1.00 22.04 H new ATOM 0 HG3 ARG A 144 5.914 0.595 22.391 1.00 22.04 H new ATOM 0 HD2 ARG A 144 8.415 -0.431 22.515 1.00 24.33 H new ATOM 0 HD3 ARG A 144 8.364 0.332 24.092 1.00 24.33 H new ATOM 0 HE ARG A 144 6.929 -1.335 24.823 1.00 52.41 H new ATOM 0 HH11 ARG A 144 6.841 -1.140 21.299 1.00 23.31 H new ATOM 0 HH12 ARG A 144 5.801 -2.558 21.131 1.00 23.31 H new ATOM 0 HH21 ARG A 144 5.593 -3.156 24.600 1.00 42.52 H new ATOM 0 HH22 ARG A 144 5.097 -3.695 22.992 1.00 42.52 H new