USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 944 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 48 THR OG1 : rot 124:sc=-0.00945 USER MOD Set 1.2: A 83 HIS : no HD1:sc=-4.07e-05 X(o=-0.0095,f=-0.035) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.512 K(o=0.24,f=-7.2!) USER MOD Set 2.2: A 85 MET CE :methyl 148:sc= -0.274 (180deg=-1.85!) USER MOD Single : A 11 SER OG : rot 140:sc= 0.464 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -179:sc= 0.0281 USER MOD Single : A 24 ASN : amide:sc= 0.652 K(o=0.65,f=-4.3!) USER MOD Single : A 37 THR OG1 : rot 81:sc= 1.25 USER MOD Single : A 46 HIS : no HD1:sc= -0.318 K(o=-0.32,f=-3.4!) USER MOD Single : A 50 MET CE :methyl 169:sc= 0 (180deg=-0.127) USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= 0.625 (180deg=-0.245) USER MOD Single : A 57 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.16) USER MOD Single : A 59 MET CE :methyl 162:sc= 0 (180deg=-0.468) USER MOD Single : A 61 MET CE :methyl 164:sc= 0 (180deg=-0.0654) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0.874 (180deg=0.432) USER MOD Single : A 78 LYS NZ :NH3+ -168:sc= 1.17 (180deg=1.07) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= 0.371 (180deg=-0.142) USER MOD Single : A 94 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.16) USER MOD Single : A 109 LYS NZ :NH3+ -150:sc= 1.09 (180deg=0.605) USER MOD Single : A 112 LYS NZ :NH3+ 165:sc= 1.1 (180deg=-0.0774) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.663 -2.211 0.148 1.00 2.87 N ATOM 56 CA GLU A 5 11.122 -3.526 -0.195 1.00 1.67 C ATOM 57 C GLU A 5 9.889 -3.752 0.706 1.00 1.65 C ATOM 58 O GLU A 5 9.794 -3.114 1.758 1.00 2.45 O ATOM 59 CB GLU A 5 12.251 -4.524 0.061 1.00 2.21 C ATOM 60 CG GLU A 5 11.914 -6.015 0.014 1.00 3.61 C ATOM 61 CD GLU A 5 13.166 -6.774 0.435 1.00 4.57 C ATOM 62 OE1 GLU A 5 13.496 -6.700 1.643 1.00 5.64 O ATOM 63 OE2 GLU A 5 13.867 -7.298 -0.448 1.00 4.90 O ATOM 0 HA GLU A 5 10.797 -3.631 -1.230 1.00 1.67 H new ATOM 0 HB2 GLU A 5 13.036 -4.336 -0.671 1.00 2.21 H new ATOM 0 HB3 GLU A 5 12.672 -4.307 1.043 1.00 2.21 H new ATOM 0 HG2 GLU A 5 11.083 -6.243 0.682 1.00 3.61 H new ATOM 0 HG3 GLU A 5 11.606 -6.308 -0.990 1.00 3.61 H new ATOM 70 N GLY A 6 8.923 -4.587 0.290 1.00 1.13 N ATOM 71 CA GLY A 6 7.577 -4.598 0.879 1.00 1.06 C ATOM 72 C GLY A 6 7.243 -5.788 1.767 1.00 1.02 C ATOM 73 O GLY A 6 7.915 -6.816 1.724 1.00 1.12 O ATOM 0 H GLY A 6 9.053 -5.268 -0.458 1.00 1.13 H new ATOM 0 HA2 GLY A 6 7.452 -3.687 1.465 1.00 1.06 H new ATOM 0 HA3 GLY A 6 6.848 -4.559 0.069 1.00 1.06 H new ATOM 77 N TRP A 7 6.130 -5.650 2.495 1.00 1.00 N ATOM 78 CA TRP A 7 5.520 -6.689 3.323 1.00 1.06 C ATOM 79 C TRP A 7 4.015 -6.453 3.551 1.00 1.04 C ATOM 80 O TRP A 7 3.587 -5.308 3.715 1.00 1.00 O ATOM 81 CB TRP A 7 6.261 -6.813 4.671 1.00 1.33 C ATOM 82 CG TRP A 7 6.190 -5.674 5.660 1.00 1.44 C ATOM 83 CD1 TRP A 7 5.520 -5.719 6.836 1.00 1.55 C ATOM 84 CD2 TRP A 7 6.849 -4.365 5.643 1.00 1.52 C ATOM 85 NE1 TRP A 7 5.738 -4.560 7.559 1.00 1.67 N ATOM 86 CE2 TRP A 7 6.524 -3.680 6.855 1.00 1.67 C ATOM 87 CE3 TRP A 7 7.697 -3.683 4.742 1.00 1.54 C ATOM 88 CZ2 TRP A 7 6.989 -2.390 7.146 1.00 1.84 C ATOM 89 CZ3 TRP A 7 8.158 -2.380 5.012 1.00 1.72 C ATOM 90 CH2 TRP A 7 7.805 -1.732 6.211 1.00 1.87 C ATOM 0 H TRP A 7 5.610 -4.773 2.523 1.00 1.00 H new ATOM 0 HA TRP A 7 5.615 -7.628 2.778 1.00 1.06 H new ATOM 0 HB2 TRP A 7 5.884 -7.705 5.171 1.00 1.33 H new ATOM 0 HB3 TRP A 7 7.314 -6.991 4.451 1.00 1.33 H new ATOM 0 HD1 TRP A 7 4.903 -6.543 7.163 1.00 1.55 H new ATOM 0 HE1 TRP A 7 5.365 -4.382 8.491 1.00 1.67 H new ATOM 0 HE3 TRP A 7 7.998 -4.171 3.827 1.00 1.54 H new ATOM 0 HZ2 TRP A 7 6.724 -1.909 8.076 1.00 1.84 H new ATOM 0 HZ3 TRP A 7 8.787 -1.874 4.294 1.00 1.72 H new ATOM 0 HH2 TRP A 7 8.161 -0.732 6.411 1.00 1.87 H new ATOM 101 N VAL A 8 3.213 -7.519 3.649 1.00 1.19 N ATOM 102 CA VAL A 8 1.935 -7.464 4.394 1.00 1.13 C ATOM 103 C VAL A 8 2.268 -7.599 5.880 1.00 0.98 C ATOM 104 O VAL A 8 3.142 -8.379 6.248 1.00 0.96 O ATOM 105 CB VAL A 8 0.933 -8.548 3.940 1.00 1.23 C ATOM 106 CG1 VAL A 8 -0.231 -8.780 4.917 1.00 1.32 C ATOM 107 CG2 VAL A 8 0.325 -8.192 2.575 1.00 1.63 C ATOM 0 H VAL A 8 3.417 -8.426 3.229 1.00 1.19 H new ATOM 0 HA VAL A 8 1.439 -6.514 4.193 1.00 1.13 H new ATOM 0 HB VAL A 8 1.523 -9.463 3.892 1.00 1.23 H new ATOM 0 HG11 VAL A 8 -0.887 -9.556 4.523 1.00 1.32 H new ATOM 0 HG12 VAL A 8 0.163 -9.094 5.884 1.00 1.32 H new ATOM 0 HG13 VAL A 8 -0.795 -7.855 5.038 1.00 1.32 H new ATOM 0 HG21 VAL A 8 -0.378 -8.970 2.276 1.00 1.63 H new ATOM 0 HG22 VAL A 8 -0.198 -7.239 2.647 1.00 1.63 H new ATOM 0 HG23 VAL A 8 1.119 -8.115 1.832 1.00 1.63 H new ATOM 117 N ARG A 9 1.593 -6.839 6.742 1.00 0.97 N ATOM 118 CA ARG A 9 1.919 -6.771 8.162 1.00 0.92 C ATOM 119 C ARG A 9 1.282 -7.925 8.947 1.00 1.02 C ATOM 120 O ARG A 9 0.108 -7.859 9.316 1.00 1.60 O ATOM 121 CB ARG A 9 1.511 -5.392 8.704 1.00 0.95 C ATOM 122 CG ARG A 9 2.372 -4.927 9.876 1.00 1.25 C ATOM 123 CD ARG A 9 2.463 -5.902 11.054 1.00 2.68 C ATOM 124 NE ARG A 9 3.120 -5.249 12.187 1.00 3.14 N ATOM 125 CZ ARG A 9 2.554 -4.428 13.054 1.00 3.18 C ATOM 126 NH1 ARG A 9 1.258 -4.421 13.290 1.00 3.23 N ATOM 127 NH2 ARG A 9 3.321 -3.572 13.682 1.00 4.04 N ATOM 0 H ARG A 9 0.803 -6.253 6.472 1.00 0.97 H new ATOM 0 HA ARG A 9 2.995 -6.888 8.292 1.00 0.92 H new ATOM 0 HB2 ARG A 9 1.577 -4.659 7.900 1.00 0.95 H new ATOM 0 HB3 ARG A 9 0.468 -5.427 9.019 1.00 0.95 H new ATOM 0 HG2 ARG A 9 3.380 -4.732 9.509 1.00 1.25 H new ATOM 0 HG3 ARG A 9 1.977 -3.979 10.241 1.00 1.25 H new ATOM 0 HD2 ARG A 9 1.465 -6.233 11.342 1.00 2.68 H new ATOM 0 HD3 ARG A 9 3.022 -6.791 10.760 1.00 2.68 H new ATOM 0 HE ARG A 9 4.112 -5.447 12.320 1.00 3.14 H new ATOM 0 HH11 ARG A 9 0.646 -5.068 12.794 1.00 3.23 H new ATOM 0 HH12 ARG A 9 0.867 -3.768 13.969 1.00 3.23 H new ATOM 0 HH21 ARG A 9 4.324 -3.553 13.495 1.00 4.04 H new ATOM 0 HH22 ARG A 9 2.916 -2.924 14.358 1.00 4.04 H new ATOM 141 N PHE A 10 2.071 -8.939 9.308 1.00 1.03 N ATOM 142 CA PHE A 10 1.685 -9.905 10.337 1.00 1.11 C ATOM 143 C PHE A 10 1.467 -9.195 11.683 1.00 1.32 C ATOM 144 O PHE A 10 2.394 -8.770 12.363 1.00 2.01 O ATOM 145 CB PHE A 10 2.697 -11.066 10.443 1.00 1.55 C ATOM 146 CG PHE A 10 2.666 -11.848 11.756 1.00 1.72 C ATOM 147 CD1 PHE A 10 1.452 -12.124 12.420 1.00 1.88 C ATOM 148 CD2 PHE A 10 3.873 -12.267 12.344 1.00 3.00 C ATOM 149 CE1 PHE A 10 1.447 -12.754 13.674 1.00 1.95 C ATOM 150 CE2 PHE A 10 3.872 -12.906 13.598 1.00 3.32 C ATOM 151 CZ PHE A 10 2.659 -13.130 14.272 1.00 2.29 C ATOM 0 H PHE A 10 2.989 -9.113 8.898 1.00 1.03 H new ATOM 0 HA PHE A 10 0.737 -10.356 10.043 1.00 1.11 H new ATOM 0 HB2 PHE A 10 2.514 -11.760 9.623 1.00 1.55 H new ATOM 0 HB3 PHE A 10 3.701 -10.664 10.303 1.00 1.55 H new ATOM 0 HD1 PHE A 10 0.516 -11.847 11.958 1.00 1.88 H new ATOM 0 HD2 PHE A 10 4.807 -12.097 11.830 1.00 3.00 H new ATOM 0 HE1 PHE A 10 0.512 -12.949 14.178 1.00 1.95 H new ATOM 0 HE2 PHE A 10 4.803 -13.224 14.042 1.00 3.32 H new ATOM 0 HZ PHE A 10 2.660 -13.591 15.249 1.00 2.29 H new ATOM 161 N SER A 11 0.206 -9.134 12.096 1.00 1.14 N ATOM 162 CA SER A 11 -0.235 -8.873 13.454 1.00 1.52 C ATOM 163 C SER A 11 -1.672 -9.401 13.613 1.00 1.44 C ATOM 164 O SER A 11 -2.426 -9.309 12.642 1.00 1.67 O ATOM 165 CB SER A 11 -0.197 -7.370 13.744 1.00 2.27 C ATOM 166 OG SER A 11 -0.693 -6.558 12.690 1.00 2.08 O ATOM 0 H SER A 11 -0.575 -9.273 11.455 1.00 1.14 H new ATOM 0 HA SER A 11 0.428 -9.376 14.158 1.00 1.52 H new ATOM 0 HB2 SER A 11 -0.778 -7.171 14.644 1.00 2.27 H new ATOM 0 HB3 SER A 11 0.832 -7.079 13.958 1.00 2.27 H new ATOM 0 HG SER A 11 -1.223 -5.824 13.064 1.00 2.08 H new ATOM 172 N PRO A 12 -2.063 -9.939 14.787 1.00 1.48 N ATOM 173 CA PRO A 12 -3.368 -10.560 15.009 1.00 1.65 C ATOM 174 C PRO A 12 -4.464 -9.500 15.199 1.00 1.84 C ATOM 175 O PRO A 12 -4.946 -9.256 16.303 1.00 2.66 O ATOM 176 CB PRO A 12 -3.168 -11.469 16.227 1.00 1.81 C ATOM 177 CG PRO A 12 -2.142 -10.691 17.049 1.00 1.82 C ATOM 178 CD PRO A 12 -1.235 -10.095 15.975 1.00 1.62 C ATOM 0 HA PRO A 12 -3.713 -11.142 14.154 1.00 1.65 H new ATOM 0 HB2 PRO A 12 -4.097 -11.623 16.776 1.00 1.81 H new ATOM 0 HB3 PRO A 12 -2.799 -12.454 15.943 1.00 1.81 H new ATOM 0 HG2 PRO A 12 -2.612 -9.918 17.657 1.00 1.82 H new ATOM 0 HG3 PRO A 12 -1.591 -11.341 17.729 1.00 1.82 H new ATOM 0 HD2 PRO A 12 -0.830 -9.135 16.296 1.00 1.62 H new ATOM 0 HD3 PRO A 12 -0.386 -10.749 15.775 1.00 1.62 H new ATOM 186 N GLY A 13 -4.853 -8.859 14.096 1.00 1.46 N ATOM 187 CA GLY A 13 -5.979 -7.929 14.018 1.00 1.55 C ATOM 188 C GLY A 13 -6.848 -8.191 12.782 1.00 1.32 C ATOM 189 O GLY A 13 -6.313 -8.580 11.745 1.00 1.65 O ATOM 0 H GLY A 13 -4.376 -8.977 13.202 1.00 1.46 H new ATOM 0 HA2 GLY A 13 -6.589 -8.020 14.917 1.00 1.55 H new ATOM 0 HA3 GLY A 13 -5.604 -6.906 13.989 1.00 1.55 H new ATOM 193 N PRO A 14 -8.174 -7.942 12.844 1.00 1.08 N ATOM 194 CA PRO A 14 -9.067 -8.084 11.691 1.00 1.17 C ATOM 195 C PRO A 14 -8.757 -7.052 10.598 1.00 0.91 C ATOM 196 O PRO A 14 -9.020 -7.309 9.423 1.00 1.19 O ATOM 197 CB PRO A 14 -10.481 -7.914 12.256 1.00 1.44 C ATOM 198 CG PRO A 14 -10.275 -7.014 13.473 1.00 1.36 C ATOM 199 CD PRO A 14 -8.910 -7.452 14.002 1.00 1.17 C ATOM 0 HA PRO A 14 -8.945 -9.051 11.204 1.00 1.17 H new ATOM 0 HB2 PRO A 14 -11.151 -7.457 11.528 1.00 1.44 H new ATOM 0 HB3 PRO A 14 -10.919 -8.872 12.535 1.00 1.44 H new ATOM 0 HG2 PRO A 14 -10.282 -5.959 13.200 1.00 1.36 H new ATOM 0 HG3 PRO A 14 -11.060 -7.156 14.216 1.00 1.36 H new ATOM 0 HD2 PRO A 14 -8.388 -6.619 14.474 1.00 1.17 H new ATOM 0 HD3 PRO A 14 -9.015 -8.231 14.757 1.00 1.17 H new ATOM 207 N ASN A 15 -8.163 -5.917 10.983 1.00 0.76 N ATOM 208 CA ASN A 15 -7.324 -5.083 10.139 1.00 0.61 C ATOM 209 C ASN A 15 -5.860 -5.234 10.584 1.00 0.67 C ATOM 210 O ASN A 15 -5.538 -5.217 11.777 1.00 1.01 O ATOM 211 CB ASN A 15 -7.838 -3.640 10.252 1.00 0.82 C ATOM 212 CG ASN A 15 -6.992 -2.537 9.616 1.00 2.38 C ATOM 213 OD1 ASN A 15 -5.962 -2.747 8.996 1.00 3.99 O ATOM 214 ND2 ASN A 15 -7.412 -1.301 9.788 1.00 2.60 N ATOM 0 H ASN A 15 -8.262 -5.547 11.928 1.00 0.76 H new ATOM 0 HA ASN A 15 -7.369 -5.380 9.091 1.00 0.61 H new ATOM 0 HB2 ASN A 15 -8.832 -3.601 9.806 1.00 0.82 H new ATOM 0 HB3 ASN A 15 -7.954 -3.406 11.310 1.00 0.82 H new ATOM 0 HD21 ASN A 15 -6.877 -0.522 9.404 1.00 2.60 H new ATOM 0 HD22 ASN A 15 -8.272 -1.122 10.306 1.00 2.60 H new ATOM 221 N ALA A 16 -4.992 -5.310 9.585 1.00 0.82 N ATOM 222 CA ALA A 16 -3.555 -5.068 9.662 1.00 1.03 C ATOM 223 C ALA A 16 -3.129 -4.300 8.390 1.00 0.91 C ATOM 224 O ALA A 16 -3.884 -4.225 7.423 1.00 1.11 O ATOM 225 CB ALA A 16 -2.818 -6.400 9.860 1.00 1.55 C ATOM 0 H ALA A 16 -5.289 -5.557 8.641 1.00 0.82 H new ATOM 0 HA ALA A 16 -3.292 -4.451 10.521 1.00 1.03 H new ATOM 0 HB1 ALA A 16 -1.745 -6.217 9.917 1.00 1.55 H new ATOM 0 HB2 ALA A 16 -3.156 -6.869 10.784 1.00 1.55 H new ATOM 0 HB3 ALA A 16 -3.029 -7.061 9.019 1.00 1.55 H new ATOM 231 N ALA A 17 -1.944 -3.691 8.397 1.00 1.15 N ATOM 232 CA ALA A 17 -1.446 -2.889 7.276 1.00 1.01 C ATOM 233 C ALA A 17 -0.761 -3.733 6.185 1.00 0.93 C ATOM 234 O ALA A 17 -0.423 -4.895 6.406 1.00 1.20 O ATOM 235 CB ALA A 17 -0.490 -1.836 7.847 1.00 1.09 C ATOM 0 H ALA A 17 -1.297 -3.739 9.184 1.00 1.15 H new ATOM 0 HA ALA A 17 -2.292 -2.415 6.778 1.00 1.01 H new ATOM 0 HB1 ALA A 17 -0.100 -1.220 7.036 1.00 1.09 H new ATOM 0 HB2 ALA A 17 -1.025 -1.205 8.557 1.00 1.09 H new ATOM 0 HB3 ALA A 17 0.337 -2.333 8.355 1.00 1.09 H new ATOM 241 N ALA A 18 -0.466 -3.117 5.039 1.00 0.86 N ATOM 242 CA ALA A 18 0.436 -3.656 4.022 1.00 0.83 C ATOM 243 C ALA A 18 1.118 -2.552 3.196 1.00 0.68 C ATOM 244 O ALA A 18 0.557 -1.476 2.970 1.00 0.73 O ATOM 245 CB ALA A 18 -0.339 -4.646 3.148 1.00 1.10 C ATOM 0 H ALA A 18 -0.857 -2.209 4.787 1.00 0.86 H new ATOM 0 HA ALA A 18 1.251 -4.184 4.517 1.00 0.83 H new ATOM 0 HB1 ALA A 18 0.324 -5.055 2.385 1.00 1.10 H new ATOM 0 HB2 ALA A 18 -0.722 -5.457 3.768 1.00 1.10 H new ATOM 0 HB3 ALA A 18 -1.172 -4.133 2.667 1.00 1.10 H new ATOM 251 N TYR A 19 2.346 -2.839 2.752 1.00 0.70 N ATOM 252 CA TYR A 19 3.261 -1.907 2.077 1.00 0.81 C ATOM 253 C TYR A 19 4.061 -2.613 0.971 1.00 0.91 C ATOM 254 O TYR A 19 4.232 -3.834 0.996 1.00 1.03 O ATOM 255 CB TYR A 19 4.258 -1.307 3.082 1.00 0.80 C ATOM 256 CG TYR A 19 3.745 -1.096 4.489 1.00 0.75 C ATOM 257 CD1 TYR A 19 3.082 0.092 4.845 1.00 2.10 C ATOM 258 CD2 TYR A 19 3.931 -2.112 5.443 1.00 1.86 C ATOM 259 CE1 TYR A 19 2.632 0.271 6.167 1.00 2.16 C ATOM 260 CE2 TYR A 19 3.509 -1.936 6.769 1.00 1.86 C ATOM 261 CZ TYR A 19 2.870 -0.732 7.137 1.00 0.87 C ATOM 262 OH TYR A 19 2.487 -0.529 8.424 1.00 1.02 O ATOM 0 H TYR A 19 2.750 -3.770 2.857 1.00 0.70 H new ATOM 0 HA TYR A 19 2.649 -1.120 1.637 1.00 0.81 H new ATOM 0 HB2 TYR A 19 5.130 -1.959 3.130 1.00 0.80 H new ATOM 0 HB3 TYR A 19 4.599 -0.347 2.694 1.00 0.80 H new ATOM 0 HD1 TYR A 19 2.919 0.864 4.107 1.00 2.10 H new ATOM 0 HD2 TYR A 19 4.404 -3.038 5.152 1.00 1.86 H new ATOM 0 HE1 TYR A 19 2.105 1.173 6.441 1.00 2.16 H new ATOM 0 HE2 TYR A 19 3.671 -2.713 7.501 1.00 1.86 H new ATOM 0 HH TYR A 19 2.722 -1.313 8.963 1.00 1.02 H new ATOM 272 N LEU A 20 4.606 -1.841 0.020 1.00 0.90 N ATOM 273 CA LEU A 20 5.306 -2.370 -1.152 1.00 1.02 C ATOM 274 C LEU A 20 6.176 -1.349 -1.883 1.00 1.05 C ATOM 275 O LEU A 20 5.817 -0.180 -2.030 1.00 1.03 O ATOM 276 CB LEU A 20 4.355 -3.092 -2.133 1.00 1.03 C ATOM 277 CG LEU A 20 3.358 -2.226 -2.931 1.00 0.97 C ATOM 278 CD1 LEU A 20 2.791 -3.064 -4.082 1.00 1.59 C ATOM 279 CD2 LEU A 20 2.188 -1.723 -2.080 1.00 1.24 C ATOM 0 H LEU A 20 4.571 -0.822 0.046 1.00 0.90 H new ATOM 0 HA LEU A 20 5.994 -3.109 -0.741 1.00 1.02 H new ATOM 0 HB2 LEU A 20 4.966 -3.645 -2.847 1.00 1.03 H new ATOM 0 HB3 LEU A 20 3.783 -3.827 -1.566 1.00 1.03 H new ATOM 0 HG LEU A 20 3.904 -1.354 -3.291 1.00 0.97 H new ATOM 0 HD11 LEU A 20 2.084 -2.464 -4.655 1.00 1.59 H new ATOM 0 HD12 LEU A 20 3.604 -3.386 -4.732 1.00 1.59 H new ATOM 0 HD13 LEU A 20 2.281 -3.939 -3.678 1.00 1.59 H new ATOM 0 HD21 LEU A 20 1.522 -1.120 -2.697 1.00 1.24 H new ATOM 0 HD22 LEU A 20 1.639 -2.574 -1.677 1.00 1.24 H new ATOM 0 HD23 LEU A 20 2.570 -1.116 -1.259 1.00 1.24 H new ATOM 291 N THR A 21 7.282 -1.851 -2.429 1.00 1.20 N ATOM 292 CA THR A 21 8.114 -1.150 -3.403 1.00 1.26 C ATOM 293 C THR A 21 7.488 -1.253 -4.775 1.00 1.16 C ATOM 294 O THR A 21 7.160 -2.354 -5.214 1.00 1.31 O ATOM 295 CB THR A 21 9.526 -1.723 -3.374 1.00 1.54 C ATOM 296 OG1 THR A 21 10.058 -1.197 -2.203 1.00 1.38 O ATOM 297 CG2 THR A 21 10.402 -1.262 -4.531 1.00 2.03 C ATOM 0 H THR A 21 7.633 -2.781 -2.200 1.00 1.20 H new ATOM 0 HA THR A 21 8.180 -0.092 -3.149 1.00 1.26 H new ATOM 0 HB THR A 21 9.493 -2.811 -3.440 1.00 1.54 H new ATOM 0 HG1 THR A 21 10.984 -1.500 -2.099 1.00 1.38 H new ATOM 0 HG21 THR A 21 11.391 -1.712 -4.441 1.00 2.03 H new ATOM 0 HG22 THR A 21 9.949 -1.567 -5.474 1.00 2.03 H new ATOM 0 HG23 THR A 21 10.494 -0.176 -4.508 1.00 2.03 H new ATOM 305 N LEU A 22 7.324 -0.104 -5.431 1.00 1.13 N ATOM 306 CA LEU A 22 6.671 0.051 -6.718 1.00 1.08 C ATOM 307 C LEU A 22 7.445 1.029 -7.613 1.00 0.85 C ATOM 308 O LEU A 22 8.070 1.987 -7.149 1.00 0.90 O ATOM 309 CB LEU A 22 5.259 0.540 -6.368 1.00 1.26 C ATOM 310 CG LEU A 22 4.224 0.513 -7.502 1.00 1.41 C ATOM 311 CD1 LEU A 22 2.881 0.258 -6.816 1.00 2.76 C ATOM 312 CD2 LEU A 22 4.139 1.836 -8.279 1.00 2.62 C ATOM 0 H LEU A 22 7.661 0.783 -5.056 1.00 1.13 H new ATOM 0 HA LEU A 22 6.634 -0.872 -7.296 1.00 1.08 H new ATOM 0 HB2 LEU A 22 4.881 -0.069 -5.547 1.00 1.26 H new ATOM 0 HB3 LEU A 22 5.334 1.563 -5.999 1.00 1.26 H new ATOM 0 HG LEU A 22 4.501 -0.248 -8.231 1.00 1.41 H new ATOM 0 HD11 LEU A 22 2.090 0.225 -7.565 1.00 2.76 H new ATOM 0 HD12 LEU A 22 2.918 -0.694 -6.286 1.00 2.76 H new ATOM 0 HD13 LEU A 22 2.676 1.060 -6.107 1.00 2.76 H new ATOM 0 HD21 LEU A 22 3.389 1.749 -9.065 1.00 2.62 H new ATOM 0 HD22 LEU A 22 3.859 2.640 -7.599 1.00 2.62 H new ATOM 0 HD23 LEU A 22 5.108 2.059 -8.725 1.00 2.62 H new ATOM 324 N GLU A 23 7.382 0.807 -8.921 1.00 0.88 N ATOM 325 CA GLU A 23 7.961 1.713 -9.901 1.00 0.90 C ATOM 326 C GLU A 23 7.310 1.547 -11.267 1.00 0.86 C ATOM 327 O GLU A 23 6.794 0.488 -11.612 1.00 0.98 O ATOM 328 CB GLU A 23 9.491 1.578 -9.964 1.00 1.23 C ATOM 329 CG GLU A 23 10.021 0.184 -10.310 1.00 1.44 C ATOM 330 CD GLU A 23 11.496 0.126 -9.930 1.00 2.07 C ATOM 331 OE1 GLU A 23 11.764 0.061 -8.705 1.00 2.50 O ATOM 332 OE2 GLU A 23 12.342 0.205 -10.840 1.00 3.04 O ATOM 0 H GLU A 23 6.927 -0.009 -9.331 1.00 0.88 H new ATOM 0 HA GLU A 23 7.750 2.731 -9.572 1.00 0.90 H new ATOM 0 HB2 GLU A 23 9.869 2.284 -10.703 1.00 1.23 H new ATOM 0 HB3 GLU A 23 9.903 1.874 -9.000 1.00 1.23 H new ATOM 0 HG2 GLU A 23 9.460 -0.580 -9.772 1.00 1.44 H new ATOM 0 HG3 GLU A 23 9.895 -0.017 -11.374 1.00 1.44 H new ATOM 339 N ASN A 24 7.343 2.631 -12.030 1.00 0.85 N ATOM 340 CA ASN A 24 6.839 2.715 -13.385 1.00 0.87 C ATOM 341 C ASN A 24 8.025 2.716 -14.367 1.00 0.91 C ATOM 342 O ASN A 24 8.694 3.743 -14.500 1.00 0.99 O ATOM 343 CB ASN A 24 6.009 4.000 -13.487 1.00 0.88 C ATOM 344 CG ASN A 24 5.403 4.195 -14.867 1.00 0.89 C ATOM 345 OD1 ASN A 24 5.591 3.406 -15.786 1.00 0.91 O ATOM 346 ND2 ASN A 24 4.643 5.249 -15.031 1.00 0.98 N ATOM 0 H ASN A 24 7.740 3.512 -11.703 1.00 0.85 H new ATOM 0 HA ASN A 24 6.209 1.862 -13.638 1.00 0.87 H new ATOM 0 HB2 ASN A 24 5.212 3.973 -12.744 1.00 0.88 H new ATOM 0 HB3 ASN A 24 6.640 4.856 -13.247 1.00 0.88 H new ATOM 0 HD21 ASN A 24 4.198 5.422 -15.933 1.00 0.98 H new ATOM 0 HD22 ASN A 24 4.496 5.897 -14.257 1.00 0.98 H new ATOM 353 N PRO A 25 8.296 1.604 -15.075 1.00 0.93 N ATOM 354 CA PRO A 25 9.368 1.537 -16.065 1.00 0.96 C ATOM 355 C PRO A 25 8.993 2.152 -17.424 1.00 0.96 C ATOM 356 O PRO A 25 9.883 2.335 -18.254 1.00 0.99 O ATOM 357 CB PRO A 25 9.668 0.040 -16.198 1.00 1.03 C ATOM 358 CG PRO A 25 8.305 -0.606 -15.948 1.00 1.03 C ATOM 359 CD PRO A 25 7.698 0.291 -14.875 1.00 0.96 C ATOM 0 HA PRO A 25 10.229 2.122 -15.743 1.00 0.96 H new ATOM 0 HB2 PRO A 25 10.057 -0.208 -17.186 1.00 1.03 H new ATOM 0 HB3 PRO A 25 10.410 -0.289 -15.471 1.00 1.03 H new ATOM 0 HG2 PRO A 25 7.695 -0.626 -16.851 1.00 1.03 H new ATOM 0 HG3 PRO A 25 8.402 -1.636 -15.606 1.00 1.03 H new ATOM 0 HD2 PRO A 25 6.613 0.336 -14.970 1.00 0.96 H new ATOM 0 HD3 PRO A 25 7.915 -0.090 -13.877 1.00 0.96 H new ATOM 367 N GLY A 26 7.714 2.474 -17.678 1.00 0.97 N ATOM 368 CA GLY A 26 7.239 2.964 -18.972 1.00 0.99 C ATOM 369 C GLY A 26 7.452 4.463 -19.170 1.00 0.98 C ATOM 370 O GLY A 26 7.965 5.167 -18.303 1.00 0.98 O ATOM 0 H GLY A 26 6.976 2.399 -16.978 1.00 0.97 H new ATOM 0 HA2 GLY A 26 7.753 2.424 -19.767 1.00 0.99 H new ATOM 0 HA3 GLY A 26 6.177 2.740 -19.069 1.00 0.99 H new ATOM 374 N ASP A 27 7.075 4.938 -20.353 1.00 1.04 N ATOM 375 CA ASP A 27 7.139 6.348 -20.773 1.00 1.14 C ATOM 376 C ASP A 27 5.749 7.021 -20.719 1.00 1.24 C ATOM 377 O ASP A 27 5.547 8.129 -21.208 1.00 1.55 O ATOM 378 CB ASP A 27 7.824 6.413 -22.146 1.00 1.17 C ATOM 379 CG ASP A 27 9.260 5.900 -22.005 1.00 1.50 C ATOM 380 OD1 ASP A 27 9.466 4.669 -22.103 1.00 2.23 O ATOM 381 OD2 ASP A 27 10.136 6.677 -21.569 1.00 2.38 O ATOM 0 H ASP A 27 6.699 4.331 -21.082 1.00 1.04 H new ATOM 0 HA ASP A 27 7.742 6.930 -20.076 1.00 1.14 H new ATOM 0 HB2 ASP A 27 7.277 5.809 -22.870 1.00 1.17 H new ATOM 0 HB3 ASP A 27 7.824 7.437 -22.520 1.00 1.17 H new ATOM 386 N LEU A 28 4.796 6.340 -20.072 1.00 1.07 N ATOM 387 CA LEU A 28 3.437 6.793 -19.773 1.00 1.21 C ATOM 388 C LEU A 28 3.307 7.035 -18.257 1.00 0.96 C ATOM 389 O LEU A 28 4.047 6.419 -17.490 1.00 0.86 O ATOM 390 CB LEU A 28 2.412 5.709 -20.173 1.00 1.55 C ATOM 391 CG LEU A 28 2.721 4.870 -21.431 1.00 1.37 C ATOM 392 CD1 LEU A 28 1.770 3.669 -21.479 1.00 2.78 C ATOM 393 CD2 LEU A 28 2.604 5.722 -22.700 1.00 1.71 C ATOM 0 H LEU A 28 4.967 5.397 -19.722 1.00 1.07 H new ATOM 0 HA LEU A 28 3.243 7.709 -20.331 1.00 1.21 H new ATOM 0 HB2 LEU A 28 2.299 5.025 -19.332 1.00 1.55 H new ATOM 0 HB3 LEU A 28 1.448 6.195 -20.321 1.00 1.55 H new ATOM 0 HG LEU A 28 3.748 4.508 -21.381 1.00 1.37 H new ATOM 0 HD11 LEU A 28 1.983 3.072 -22.366 1.00 2.78 H new ATOM 0 HD12 LEU A 28 1.910 3.058 -20.587 1.00 2.78 H new ATOM 0 HD13 LEU A 28 0.740 4.022 -21.518 1.00 2.78 H new ATOM 0 HD21 LEU A 28 2.827 5.108 -23.572 1.00 1.71 H new ATOM 0 HD22 LEU A 28 1.591 6.115 -22.782 1.00 1.71 H new ATOM 0 HD23 LEU A 28 3.311 6.550 -22.649 1.00 1.71 H new ATOM 405 N PRO A 29 2.340 7.838 -17.782 1.00 1.09 N ATOM 406 CA PRO A 29 2.061 7.981 -16.360 1.00 1.13 C ATOM 407 C PRO A 29 1.194 6.813 -15.868 1.00 1.02 C ATOM 408 O PRO A 29 0.361 6.293 -16.612 1.00 1.05 O ATOM 409 CB PRO A 29 1.338 9.320 -16.233 1.00 1.35 C ATOM 410 CG PRO A 29 0.620 9.482 -17.579 1.00 1.40 C ATOM 411 CD PRO A 29 1.381 8.590 -18.567 1.00 1.37 C ATOM 0 HA PRO A 29 2.964 7.962 -15.749 1.00 1.13 H new ATOM 0 HB2 PRO A 29 0.633 9.316 -15.402 1.00 1.35 H new ATOM 0 HB3 PRO A 29 2.038 10.136 -16.053 1.00 1.35 H new ATOM 0 HG2 PRO A 29 -0.425 9.180 -17.504 1.00 1.40 H new ATOM 0 HG3 PRO A 29 0.629 10.522 -17.904 1.00 1.40 H new ATOM 0 HD2 PRO A 29 0.699 7.921 -19.092 1.00 1.37 H new ATOM 0 HD3 PRO A 29 1.885 9.191 -19.325 1.00 1.37 H new ATOM 419 N LEU A 30 1.366 6.422 -14.601 1.00 0.92 N ATOM 420 CA LEU A 30 0.645 5.308 -13.971 1.00 0.79 C ATOM 421 C LEU A 30 -0.120 5.797 -12.750 1.00 0.68 C ATOM 422 O LEU A 30 0.466 6.271 -11.783 1.00 0.87 O ATOM 423 CB LEU A 30 1.609 4.177 -13.587 1.00 0.87 C ATOM 424 CG LEU A 30 1.410 2.900 -14.423 1.00 1.38 C ATOM 425 CD1 LEU A 30 1.552 3.110 -15.930 1.00 2.85 C ATOM 426 CD2 LEU A 30 2.386 1.798 -14.017 1.00 1.47 C ATOM 0 H LEU A 30 2.024 6.880 -13.970 1.00 0.92 H new ATOM 0 HA LEU A 30 -0.068 4.911 -14.693 1.00 0.79 H new ATOM 0 HB2 LEU A 30 2.635 4.526 -13.707 1.00 0.87 H new ATOM 0 HB3 LEU A 30 1.476 3.937 -12.532 1.00 0.87 H new ATOM 0 HG LEU A 30 0.382 2.607 -14.212 1.00 1.38 H new ATOM 0 HD11 LEU A 30 1.397 2.162 -16.446 1.00 2.85 H new ATOM 0 HD12 LEU A 30 0.809 3.833 -16.268 1.00 2.85 H new ATOM 0 HD13 LEU A 30 2.551 3.485 -16.153 1.00 2.85 H new ATOM 0 HD21 LEU A 30 2.213 0.914 -14.631 1.00 1.47 H new ATOM 0 HD22 LEU A 30 3.409 2.146 -14.163 1.00 1.47 H new ATOM 0 HD23 LEU A 30 2.234 1.546 -12.967 1.00 1.47 H new ATOM 438 N ARG A 31 -1.436 5.629 -12.799 1.00 0.70 N ATOM 439 CA ARG A 31 -2.388 6.024 -11.749 1.00 0.66 C ATOM 440 C ARG A 31 -2.943 4.780 -11.060 1.00 0.61 C ATOM 441 O ARG A 31 -3.716 4.034 -11.663 1.00 0.65 O ATOM 442 CB ARG A 31 -3.490 6.898 -12.364 1.00 0.70 C ATOM 443 CG ARG A 31 -4.501 7.454 -11.339 1.00 0.77 C ATOM 444 CD ARG A 31 -4.737 8.966 -11.479 1.00 0.75 C ATOM 445 NE ARG A 31 -5.197 9.341 -12.833 1.00 1.63 N ATOM 446 CZ ARG A 31 -4.678 10.286 -13.614 1.00 1.73 C ATOM 447 NH1 ARG A 31 -3.731 11.108 -13.229 1.00 1.89 N ATOM 448 NH2 ARG A 31 -5.114 10.417 -14.849 1.00 3.16 N ATOM 0 H ARG A 31 -1.895 5.197 -13.601 1.00 0.70 H new ATOM 0 HA ARG A 31 -1.887 6.617 -10.984 1.00 0.66 H new ATOM 0 HB2 ARG A 31 -3.026 7.733 -12.889 1.00 0.70 H new ATOM 0 HB3 ARG A 31 -4.029 6.313 -13.109 1.00 0.70 H new ATOM 0 HG2 ARG A 31 -5.451 6.932 -11.456 1.00 0.77 H new ATOM 0 HG3 ARG A 31 -4.142 7.241 -10.332 1.00 0.77 H new ATOM 0 HD2 ARG A 31 -5.477 9.285 -10.745 1.00 0.75 H new ATOM 0 HD3 ARG A 31 -3.813 9.498 -11.252 1.00 0.75 H new ATOM 0 HE ARG A 31 -5.993 8.823 -13.207 1.00 1.63 H new ATOM 0 HH11 ARG A 31 -3.352 11.043 -12.284 1.00 1.89 H new ATOM 0 HH12 ARG A 31 -3.374 11.812 -13.874 1.00 1.89 H new ATOM 0 HH21 ARG A 31 -5.844 9.797 -15.201 1.00 3.16 H new ATOM 0 HH22 ARG A 31 -4.722 11.138 -15.454 1.00 3.16 H new ATOM 462 N LEU A 32 -2.492 4.533 -9.832 1.00 0.56 N ATOM 463 CA LEU A 32 -2.768 3.354 -9.011 1.00 0.52 C ATOM 464 C LEU A 32 -3.991 3.641 -8.131 1.00 0.44 C ATOM 465 O LEU A 32 -3.945 4.524 -7.279 1.00 0.47 O ATOM 466 CB LEU A 32 -1.494 3.081 -8.192 1.00 0.57 C ATOM 467 CG LEU A 32 -1.593 1.966 -7.127 1.00 0.54 C ATOM 468 CD1 LEU A 32 -1.609 0.572 -7.765 1.00 0.71 C ATOM 469 CD2 LEU A 32 -0.381 2.069 -6.195 1.00 0.72 C ATOM 0 H LEU A 32 -1.883 5.195 -9.351 1.00 0.56 H new ATOM 0 HA LEU A 32 -3.006 2.469 -9.602 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -0.691 2.824 -8.883 1.00 0.57 H new ATOM 0 HB3 LEU A 32 -1.202 4.006 -7.694 1.00 0.57 H new ATOM 0 HG LEU A 32 -2.525 2.099 -6.578 1.00 0.54 H new ATOM 0 HD11 LEU A 32 -1.679 -0.185 -6.984 1.00 0.71 H new ATOM 0 HD12 LEU A 32 -2.467 0.487 -8.431 1.00 0.71 H new ATOM 0 HD13 LEU A 32 -0.692 0.422 -8.334 1.00 0.71 H new ATOM 0 HD21 LEU A 32 -0.437 1.287 -5.437 1.00 0.72 H new ATOM 0 HD22 LEU A 32 0.535 1.948 -6.774 1.00 0.72 H new ATOM 0 HD23 LEU A 32 -0.377 3.045 -5.710 1.00 0.72 H new ATOM 481 N VAL A 33 -5.077 2.900 -8.329 1.00 0.42 N ATOM 482 CA VAL A 33 -6.411 3.221 -7.782 1.00 0.41 C ATOM 483 C VAL A 33 -6.867 2.223 -6.706 1.00 0.43 C ATOM 484 O VAL A 33 -7.858 2.459 -6.020 1.00 0.46 O ATOM 485 CB VAL A 33 -7.474 3.347 -8.906 1.00 0.48 C ATOM 486 CG1 VAL A 33 -7.105 4.457 -9.910 1.00 0.50 C ATOM 487 CG2 VAL A 33 -7.686 2.046 -9.703 1.00 0.57 C ATOM 0 H VAL A 33 -5.065 2.043 -8.882 1.00 0.42 H new ATOM 0 HA VAL A 33 -6.314 4.191 -7.295 1.00 0.41 H new ATOM 0 HB VAL A 33 -8.399 3.589 -8.383 1.00 0.48 H new ATOM 0 HG11 VAL A 33 -7.871 4.517 -10.683 1.00 0.50 H new ATOM 0 HG12 VAL A 33 -7.039 5.412 -9.389 1.00 0.50 H new ATOM 0 HG13 VAL A 33 -6.143 4.227 -10.369 1.00 0.50 H new ATOM 0 HG21 VAL A 33 -8.442 2.209 -10.471 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -6.748 1.751 -10.174 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -8.018 1.256 -9.029 1.00 0.57 H new ATOM 497 N GLY A 34 -6.132 1.115 -6.534 1.00 0.44 N ATOM 498 CA GLY A 34 -6.314 0.153 -5.453 1.00 0.45 C ATOM 499 C GLY A 34 -5.384 -1.046 -5.612 1.00 0.46 C ATOM 500 O GLY A 34 -4.423 -1.005 -6.378 1.00 0.47 O ATOM 0 H GLY A 34 -5.373 0.862 -7.166 1.00 0.44 H new ATOM 0 HA2 GLY A 34 -6.124 0.639 -4.496 1.00 0.45 H new ATOM 0 HA3 GLY A 34 -7.349 -0.187 -5.437 1.00 0.45 H new ATOM 504 N ALA A 35 -5.701 -2.131 -4.910 1.00 0.52 N ATOM 505 CA ALA A 35 -5.097 -3.446 -5.104 1.00 0.55 C ATOM 506 C ALA A 35 -6.079 -4.555 -4.699 1.00 0.57 C ATOM 507 O ALA A 35 -7.129 -4.279 -4.114 1.00 0.70 O ATOM 508 CB ALA A 35 -3.774 -3.536 -4.337 1.00 0.71 C ATOM 0 H ALA A 35 -6.404 -2.119 -4.171 1.00 0.52 H new ATOM 0 HA ALA A 35 -4.874 -3.587 -6.161 1.00 0.55 H new ATOM 0 HB1 ALA A 35 -3.332 -4.521 -4.488 1.00 0.71 H new ATOM 0 HB2 ALA A 35 -3.089 -2.771 -4.702 1.00 0.71 H new ATOM 0 HB3 ALA A 35 -3.958 -3.381 -3.274 1.00 0.71 H new ATOM 514 N ARG A 36 -5.718 -5.805 -4.985 1.00 0.65 N ATOM 515 CA ARG A 36 -6.502 -7.003 -4.697 1.00 0.66 C ATOM 516 C ARG A 36 -5.501 -8.118 -4.392 1.00 0.68 C ATOM 517 O ARG A 36 -4.570 -8.327 -5.155 1.00 0.93 O ATOM 518 CB ARG A 36 -7.392 -7.283 -5.930 1.00 0.84 C ATOM 519 CG ARG A 36 -7.836 -8.744 -6.085 1.00 1.52 C ATOM 520 CD ARG A 36 -8.424 -9.041 -7.477 1.00 2.44 C ATOM 521 NE ARG A 36 -7.638 -10.078 -8.168 1.00 3.67 N ATOM 522 CZ ARG A 36 -7.558 -11.362 -7.851 1.00 4.58 C ATOM 523 NH1 ARG A 36 -8.356 -11.923 -6.962 1.00 4.82 N ATOM 524 NH2 ARG A 36 -6.632 -12.085 -8.432 1.00 6.03 N ATOM 0 H ARG A 36 -4.832 -6.019 -5.444 1.00 0.65 H new ATOM 0 HA ARG A 36 -7.167 -6.906 -3.839 1.00 0.66 H new ATOM 0 HB2 ARG A 36 -8.279 -6.653 -5.871 1.00 0.84 H new ATOM 0 HB3 ARG A 36 -6.849 -6.986 -6.827 1.00 0.84 H new ATOM 0 HG2 ARG A 36 -6.983 -9.399 -5.908 1.00 1.52 H new ATOM 0 HG3 ARG A 36 -8.580 -8.976 -5.323 1.00 1.52 H new ATOM 0 HD2 ARG A 36 -9.459 -9.369 -7.377 1.00 2.44 H new ATOM 0 HD3 ARG A 36 -8.435 -8.129 -8.074 1.00 2.44 H new ATOM 0 HE ARG A 36 -7.097 -9.775 -8.978 1.00 3.67 H new ATOM 0 HH11 ARG A 36 -9.067 -11.364 -6.491 1.00 4.82 H new ATOM 0 HH12 ARG A 36 -8.262 -12.915 -6.746 1.00 4.82 H new ATOM 0 HH21 ARG A 36 -5.999 -11.656 -9.107 1.00 6.03 H new ATOM 0 HH22 ARG A 36 -6.545 -13.077 -8.209 1.00 6.03 H new ATOM 538 N THR A 37 -5.677 -8.843 -3.294 1.00 0.56 N ATOM 539 CA THR A 37 -4.827 -9.977 -2.886 1.00 0.69 C ATOM 540 C THR A 37 -5.736 -11.184 -2.618 1.00 0.83 C ATOM 541 O THR A 37 -6.901 -10.954 -2.286 1.00 0.84 O ATOM 542 CB THR A 37 -3.996 -9.592 -1.662 1.00 0.71 C ATOM 543 OG1 THR A 37 -3.248 -10.708 -1.256 1.00 0.90 O ATOM 544 CG2 THR A 37 -4.790 -9.066 -0.472 1.00 0.71 C ATOM 0 H THR A 37 -6.435 -8.660 -2.637 1.00 0.56 H new ATOM 0 HA THR A 37 -4.122 -10.241 -3.674 1.00 0.69 H new ATOM 0 HB THR A 37 -3.367 -8.761 -1.981 1.00 0.71 H new ATOM 0 HG1 THR A 37 -2.451 -10.791 -1.821 1.00 0.90 H new ATOM 0 HG21 THR A 37 -4.107 -8.822 0.342 1.00 0.71 H new ATOM 0 HG22 THR A 37 -5.337 -8.171 -0.767 1.00 0.71 H new ATOM 0 HG23 THR A 37 -5.494 -9.828 -0.139 1.00 0.71 H new ATOM 552 N PRO A 38 -5.261 -12.445 -2.668 1.00 0.97 N ATOM 553 CA PRO A 38 -5.952 -13.558 -2.027 1.00 0.98 C ATOM 554 C PRO A 38 -6.043 -13.419 -0.506 1.00 0.99 C ATOM 555 O PRO A 38 -6.950 -13.995 0.083 1.00 1.05 O ATOM 556 CB PRO A 38 -5.144 -14.801 -2.396 1.00 1.05 C ATOM 557 CG PRO A 38 -3.740 -14.274 -2.669 1.00 1.11 C ATOM 558 CD PRO A 38 -4.039 -12.920 -3.304 1.00 1.10 C ATOM 0 HA PRO A 38 -6.986 -13.602 -2.370 1.00 0.98 H new ATOM 0 HB2 PRO A 38 -5.144 -15.530 -1.586 1.00 1.05 H new ATOM 0 HB3 PRO A 38 -5.559 -15.299 -3.272 1.00 1.05 H new ATOM 0 HG2 PRO A 38 -3.154 -14.178 -1.755 1.00 1.11 H new ATOM 0 HG3 PRO A 38 -3.181 -14.926 -3.339 1.00 1.11 H new ATOM 0 HD2 PRO A 38 -3.217 -12.222 -3.142 1.00 1.10 H new ATOM 0 HD3 PRO A 38 -4.170 -13.014 -4.382 1.00 1.10 H new ATOM 566 N VAL A 39 -5.129 -12.683 0.141 1.00 0.99 N ATOM 567 CA VAL A 39 -5.049 -12.638 1.624 1.00 1.04 C ATOM 568 C VAL A 39 -6.068 -11.696 2.302 1.00 1.00 C ATOM 569 O VAL A 39 -5.963 -11.455 3.505 1.00 1.15 O ATOM 570 CB VAL A 39 -3.597 -12.449 2.162 1.00 1.10 C ATOM 571 CG1 VAL A 39 -2.581 -13.257 1.329 1.00 1.25 C ATOM 572 CG2 VAL A 39 -3.082 -11.001 2.260 1.00 0.98 C ATOM 0 H VAL A 39 -4.431 -12.108 -0.331 1.00 0.99 H new ATOM 0 HA VAL A 39 -5.359 -13.637 1.930 1.00 1.04 H new ATOM 0 HB VAL A 39 -3.675 -12.817 3.185 1.00 1.10 H new ATOM 0 HG11 VAL A 39 -1.579 -13.104 1.729 1.00 1.25 H new ATOM 0 HG12 VAL A 39 -2.833 -14.316 1.376 1.00 1.25 H new ATOM 0 HG13 VAL A 39 -2.613 -12.922 0.292 1.00 1.25 H new ATOM 0 HG21 VAL A 39 -2.063 -11.003 2.647 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -3.094 -10.543 1.271 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -3.724 -10.431 2.932 1.00 0.98 H new ATOM 582 N ALA A 40 -7.078 -11.199 1.568 1.00 0.96 N ATOM 583 CA ALA A 40 -8.028 -10.172 2.016 1.00 0.99 C ATOM 584 C ALA A 40 -9.484 -10.447 1.605 1.00 1.06 C ATOM 585 O ALA A 40 -9.747 -11.080 0.585 1.00 1.31 O ATOM 586 CB ALA A 40 -7.605 -8.822 1.426 1.00 1.57 C ATOM 0 H ALA A 40 -7.260 -11.513 0.615 1.00 0.96 H new ATOM 0 HA ALA A 40 -8.000 -10.175 3.106 1.00 0.99 H new ATOM 0 HB1 ALA A 40 -8.302 -8.049 1.750 1.00 1.57 H new ATOM 0 HB2 ALA A 40 -6.601 -8.573 1.770 1.00 1.57 H new ATOM 0 HB3 ALA A 40 -7.611 -8.883 0.338 1.00 1.57 H new ATOM 592 N GLU A 41 -10.417 -9.908 2.394 1.00 1.09 N ATOM 593 CA GLU A 41 -11.853 -9.825 2.089 1.00 1.36 C ATOM 594 C GLU A 41 -12.209 -8.495 1.385 1.00 1.51 C ATOM 595 O GLU A 41 -12.931 -8.472 0.391 1.00 2.29 O ATOM 596 CB GLU A 41 -12.614 -9.976 3.415 1.00 1.43 C ATOM 597 CG GLU A 41 -14.072 -10.379 3.206 1.00 1.98 C ATOM 598 CD GLU A 41 -14.165 -11.849 2.820 1.00 2.85 C ATOM 599 OE1 GLU A 41 -13.882 -12.712 3.679 1.00 4.03 O ATOM 600 OE2 GLU A 41 -14.405 -12.144 1.632 1.00 2.97 O ATOM 0 H GLU A 41 -10.186 -9.500 3.300 1.00 1.09 H new ATOM 0 HA GLU A 41 -12.135 -10.618 1.397 1.00 1.36 H new ATOM 0 HB2 GLU A 41 -12.118 -10.725 4.032 1.00 1.43 H new ATOM 0 HB3 GLU A 41 -12.575 -9.034 3.963 1.00 1.43 H new ATOM 0 HG2 GLU A 41 -14.640 -10.199 4.119 1.00 1.98 H new ATOM 0 HG3 GLU A 41 -14.518 -9.762 2.426 1.00 1.98 H new ATOM 607 N ARG A 42 -11.638 -7.386 1.868 1.00 1.25 N ATOM 608 CA ARG A 42 -11.344 -6.175 1.083 1.00 1.54 C ATOM 609 C ARG A 42 -10.161 -5.411 1.694 1.00 1.17 C ATOM 610 O ARG A 42 -9.632 -5.816 2.731 1.00 1.58 O ATOM 611 CB ARG A 42 -12.588 -5.292 0.820 1.00 2.15 C ATOM 612 CG ARG A 42 -13.154 -4.492 2.007 1.00 1.87 C ATOM 613 CD ARG A 42 -13.762 -5.348 3.120 1.00 3.42 C ATOM 614 NE ARG A 42 -14.843 -6.214 2.626 1.00 4.70 N ATOM 615 CZ ARG A 42 -15.441 -7.177 3.314 1.00 6.38 C ATOM 616 NH1 ARG A 42 -15.075 -7.484 4.541 1.00 7.29 N ATOM 617 NH2 ARG A 42 -16.410 -7.867 2.753 1.00 7.56 N ATOM 0 H ARG A 42 -11.358 -7.301 2.845 1.00 1.25 H new ATOM 0 HA ARG A 42 -11.040 -6.497 0.087 1.00 1.54 H new ATOM 0 HB2 ARG A 42 -12.339 -4.587 0.027 1.00 2.15 H new ATOM 0 HB3 ARG A 42 -13.382 -5.934 0.438 1.00 2.15 H new ATOM 0 HG2 ARG A 42 -12.356 -3.882 2.431 1.00 1.87 H new ATOM 0 HG3 ARG A 42 -13.916 -3.807 1.636 1.00 1.87 H new ATOM 0 HD2 ARG A 42 -12.983 -5.963 3.570 1.00 3.42 H new ATOM 0 HD3 ARG A 42 -14.149 -4.699 3.905 1.00 3.42 H new ATOM 0 HE ARG A 42 -15.161 -6.060 1.669 1.00 4.70 H new ATOM 0 HH11 ARG A 42 -14.312 -6.976 4.988 1.00 7.29 H new ATOM 0 HH12 ARG A 42 -15.555 -8.230 5.045 1.00 7.29 H new ATOM 0 HH21 ARG A 42 -16.696 -7.660 1.796 1.00 7.56 H new ATOM 0 HH22 ARG A 42 -16.876 -8.610 3.275 1.00 7.56 H new ATOM 631 N VAL A 43 -9.737 -4.330 1.036 1.00 0.78 N ATOM 632 CA VAL A 43 -8.519 -3.557 1.314 1.00 0.98 C ATOM 633 C VAL A 43 -8.690 -2.117 0.789 1.00 0.91 C ATOM 634 O VAL A 43 -9.338 -1.923 -0.240 1.00 1.04 O ATOM 635 CB VAL A 43 -7.285 -4.276 0.702 1.00 1.43 C ATOM 636 CG1 VAL A 43 -7.367 -4.453 -0.825 1.00 1.67 C ATOM 637 CG2 VAL A 43 -5.962 -3.590 1.047 1.00 1.86 C ATOM 0 H VAL A 43 -10.262 -3.947 0.250 1.00 0.78 H new ATOM 0 HA VAL A 43 -8.349 -3.493 2.389 1.00 0.98 H new ATOM 0 HB VAL A 43 -7.307 -5.263 1.164 1.00 1.43 H new ATOM 0 HG11 VAL A 43 -6.471 -4.962 -1.181 1.00 1.67 H new ATOM 0 HG12 VAL A 43 -8.246 -5.047 -1.076 1.00 1.67 H new ATOM 0 HG13 VAL A 43 -7.442 -3.475 -1.301 1.00 1.67 H new ATOM 0 HG21 VAL A 43 -5.138 -4.139 0.591 1.00 1.86 H new ATOM 0 HG22 VAL A 43 -5.972 -2.568 0.667 1.00 1.86 H new ATOM 0 HG23 VAL A 43 -5.832 -3.573 2.129 1.00 1.86 H new ATOM 647 N GLU A 44 -8.141 -1.123 1.495 1.00 0.85 N ATOM 648 CA GLU A 44 -8.248 0.319 1.198 1.00 0.80 C ATOM 649 C GLU A 44 -6.857 0.961 1.137 1.00 0.74 C ATOM 650 O GLU A 44 -6.056 0.697 2.032 1.00 0.75 O ATOM 651 CB GLU A 44 -8.977 1.039 2.348 1.00 0.81 C ATOM 652 CG GLU A 44 -10.422 0.593 2.591 1.00 0.98 C ATOM 653 CD GLU A 44 -11.023 1.263 3.832 1.00 1.28 C ATOM 654 OE1 GLU A 44 -10.512 2.335 4.244 1.00 2.26 O ATOM 655 OE2 GLU A 44 -12.004 0.682 4.348 1.00 2.22 O ATOM 0 H GLU A 44 -7.583 -1.305 2.329 1.00 0.85 H new ATOM 0 HA GLU A 44 -8.777 0.414 0.250 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -8.409 0.889 3.266 1.00 0.81 H new ATOM 0 HB3 GLU A 44 -8.975 2.110 2.143 1.00 0.81 H new ATOM 0 HG2 GLU A 44 -11.029 0.834 1.718 1.00 0.98 H new ATOM 0 HG3 GLU A 44 -10.453 -0.490 2.712 1.00 0.98 H new ATOM 662 N LEU A 45 -6.556 1.828 0.155 1.00 0.72 N ATOM 663 CA LEU A 45 -5.344 2.641 0.157 1.00 0.66 C ATOM 664 C LEU A 45 -5.548 3.977 0.880 1.00 0.56 C ATOM 665 O LEU A 45 -6.393 4.798 0.512 1.00 0.56 O ATOM 666 CB LEU A 45 -4.875 2.833 -1.291 1.00 0.71 C ATOM 667 CG LEU A 45 -3.395 3.252 -1.356 1.00 0.70 C ATOM 668 CD1 LEU A 45 -2.770 2.765 -2.655 1.00 0.73 C ATOM 669 CD2 LEU A 45 -3.207 4.765 -1.347 1.00 0.76 C ATOM 0 H LEU A 45 -7.151 1.979 -0.659 1.00 0.72 H new ATOM 0 HA LEU A 45 -4.566 2.121 0.717 1.00 0.66 H new ATOM 0 HB2 LEU A 45 -5.016 1.905 -1.846 1.00 0.71 H new ATOM 0 HB3 LEU A 45 -5.490 3.591 -1.776 1.00 0.71 H new ATOM 0 HG LEU A 45 -2.927 2.814 -0.474 1.00 0.70 H new ATOM 0 HD11 LEU A 45 -1.723 3.067 -2.691 1.00 0.73 H new ATOM 0 HD12 LEU A 45 -2.836 1.678 -2.706 1.00 0.73 H new ATOM 0 HD13 LEU A 45 -3.302 3.201 -3.501 1.00 0.73 H new ATOM 0 HD21 LEU A 45 -2.144 5.000 -1.394 1.00 0.76 H new ATOM 0 HD22 LEU A 45 -3.713 5.200 -2.209 1.00 0.76 H new ATOM 0 HD23 LEU A 45 -3.629 5.179 -0.431 1.00 0.76 H new ATOM 681 N HIS A 46 -4.710 4.203 1.888 1.00 0.49 N ATOM 682 CA HIS A 46 -4.611 5.420 2.684 1.00 0.43 C ATOM 683 C HIS A 46 -3.301 6.204 2.435 1.00 0.41 C ATOM 684 O HIS A 46 -2.251 5.642 2.099 1.00 0.44 O ATOM 685 CB HIS A 46 -4.732 5.060 4.183 1.00 0.50 C ATOM 686 CG HIS A 46 -6.073 4.603 4.735 1.00 0.54 C ATOM 687 ND1 HIS A 46 -6.510 4.868 6.038 1.00 0.63 N ATOM 688 CD2 HIS A 46 -7.063 3.906 4.097 1.00 0.62 C ATOM 689 CE1 HIS A 46 -7.705 4.259 6.159 1.00 0.66 C ATOM 690 NE2 HIS A 46 -8.057 3.657 5.014 1.00 0.68 N ATOM 0 H HIS A 46 -4.040 3.495 2.189 1.00 0.49 H new ATOM 0 HA HIS A 46 -5.428 6.074 2.378 1.00 0.43 H new ATOM 0 HB2 HIS A 46 -4.008 4.272 4.390 1.00 0.50 H new ATOM 0 HB3 HIS A 46 -4.424 5.935 4.755 1.00 0.50 H new ATOM 0 HD2 HIS A 46 -7.063 3.606 3.060 1.00 0.62 H new ATOM 0 HE1 HIS A 46 -8.301 4.256 7.060 1.00 0.66 H new ATOM 0 HE2 HIS A 46 -8.906 3.114 4.853 1.00 0.68 H new ATOM 698 N GLU A 47 -3.377 7.518 2.668 1.00 0.42 N ATOM 699 CA GLU A 47 -2.240 8.420 2.879 1.00 0.44 C ATOM 700 C GLU A 47 -1.808 8.438 4.356 1.00 0.49 C ATOM 701 O GLU A 47 -2.515 7.947 5.243 1.00 0.55 O ATOM 702 CB GLU A 47 -2.579 9.854 2.414 1.00 0.58 C ATOM 703 CG GLU A 47 -3.757 10.501 3.175 1.00 0.71 C ATOM 704 CD GLU A 47 -3.787 12.033 3.145 1.00 1.16 C ATOM 705 OE1 GLU A 47 -2.834 12.682 2.660 1.00 2.14 O ATOM 706 OE2 GLU A 47 -4.751 12.606 3.703 1.00 2.33 O ATOM 0 H GLU A 47 -4.273 8.004 2.717 1.00 0.42 H new ATOM 0 HA GLU A 47 -1.411 8.043 2.281 1.00 0.44 H new ATOM 0 HB2 GLU A 47 -1.696 10.481 2.532 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -2.815 9.833 1.350 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -4.690 10.126 2.755 1.00 0.71 H new ATOM 0 HG3 GLU A 47 -3.721 10.174 4.214 1.00 0.71 H new ATOM 713 N THR A 48 -0.664 9.062 4.644 1.00 0.67 N ATOM 714 CA THR A 48 -0.192 9.373 5.999 1.00 0.88 C ATOM 715 C THR A 48 0.578 10.680 5.944 1.00 1.19 C ATOM 716 O THR A 48 1.459 10.849 5.104 1.00 1.27 O ATOM 717 CB THR A 48 0.672 8.247 6.554 1.00 1.09 C ATOM 718 OG1 THR A 48 -0.099 7.076 6.493 1.00 1.06 O ATOM 719 CG2 THR A 48 1.077 8.509 8.006 1.00 1.32 C ATOM 0 H THR A 48 -0.019 9.376 3.919 1.00 0.67 H new ATOM 0 HA THR A 48 -1.043 9.474 6.672 1.00 0.88 H new ATOM 0 HB THR A 48 1.589 8.165 5.971 1.00 1.09 H new ATOM 0 HG1 THR A 48 0.380 6.395 5.976 1.00 1.06 H new ATOM 0 HG21 THR A 48 1.692 7.685 8.367 1.00 1.32 H new ATOM 0 HG22 THR A 48 1.645 9.438 8.063 1.00 1.32 H new ATOM 0 HG23 THR A 48 0.183 8.592 8.624 1.00 1.32 H new ATOM 727 N PHE A 49 0.194 11.628 6.797 1.00 1.62 N ATOM 728 CA PHE A 49 0.382 13.046 6.517 1.00 1.67 C ATOM 729 C PHE A 49 0.797 13.874 7.733 1.00 1.63 C ATOM 730 O PHE A 49 0.722 13.421 8.871 1.00 1.79 O ATOM 731 CB PHE A 49 -0.942 13.575 5.941 1.00 1.67 C ATOM 732 CG PHE A 49 -2.168 13.517 6.852 1.00 1.61 C ATOM 733 CD1 PHE A 49 -2.308 14.387 7.952 1.00 2.42 C ATOM 734 CD2 PHE A 49 -3.229 12.646 6.542 1.00 2.11 C ATOM 735 CE1 PHE A 49 -3.497 14.423 8.695 1.00 2.39 C ATOM 736 CE2 PHE A 49 -4.431 12.693 7.267 1.00 2.00 C ATOM 737 CZ PHE A 49 -4.565 13.587 8.341 1.00 1.41 C ATOM 0 H PHE A 49 -0.252 11.435 7.694 1.00 1.62 H new ATOM 0 HA PHE A 49 1.208 13.146 5.812 1.00 1.67 H new ATOM 0 HB2 PHE A 49 -0.791 14.612 5.642 1.00 1.67 H new ATOM 0 HB3 PHE A 49 -1.166 13.012 5.035 1.00 1.67 H new ATOM 0 HD1 PHE A 49 -1.489 15.035 8.226 1.00 2.42 H new ATOM 0 HD2 PHE A 49 -3.118 11.934 5.738 1.00 2.11 H new ATOM 0 HE1 PHE A 49 -3.589 15.093 9.537 1.00 2.39 H new ATOM 0 HE2 PHE A 49 -5.250 12.043 6.999 1.00 2.00 H new ATOM 0 HZ PHE A 49 -5.491 13.631 8.895 1.00 1.41 H new ATOM 747 N MET A 50 1.107 15.150 7.467 1.00 1.44 N ATOM 748 CA MET A 50 1.124 16.253 8.433 1.00 1.31 C ATOM 749 C MET A 50 0.254 17.397 7.889 1.00 1.38 C ATOM 750 O MET A 50 0.275 17.652 6.685 1.00 1.92 O ATOM 751 CB MET A 50 2.557 16.770 8.654 1.00 1.53 C ATOM 752 CG MET A 50 3.532 15.709 9.182 1.00 2.98 C ATOM 753 SD MET A 50 4.190 14.504 7.989 1.00 3.98 S ATOM 754 CE MET A 50 5.213 15.570 6.941 1.00 3.62 C ATOM 0 H MET A 50 1.365 15.454 6.528 1.00 1.44 H new ATOM 0 HA MET A 50 0.737 15.893 9.386 1.00 1.31 H new ATOM 0 HB2 MET A 50 2.939 17.162 7.712 1.00 1.53 H new ATOM 0 HB3 MET A 50 2.527 17.602 9.357 1.00 1.53 H new ATOM 0 HG2 MET A 50 4.376 16.226 9.638 1.00 2.98 H new ATOM 0 HG3 MET A 50 3.030 15.156 9.976 1.00 2.98 H new ATOM 0 HE1 MET A 50 5.832 14.953 6.289 1.00 3.62 H new ATOM 0 HE2 MET A 50 4.571 16.209 6.335 1.00 3.62 H new ATOM 0 HE3 MET A 50 5.853 16.190 7.568 1.00 3.62 H new ATOM 764 N ARG A 51 -0.493 18.085 8.762 1.00 1.21 N ATOM 765 CA ARG A 51 -1.204 19.352 8.490 1.00 1.54 C ATOM 766 C ARG A 51 -1.286 20.195 9.774 1.00 1.51 C ATOM 767 O ARG A 51 -1.053 19.670 10.865 1.00 1.45 O ATOM 768 CB ARG A 51 -2.626 19.119 7.922 1.00 1.83 C ATOM 769 CG ARG A 51 -2.666 18.761 6.422 1.00 3.09 C ATOM 770 CD ARG A 51 -2.805 17.253 6.198 1.00 3.83 C ATOM 771 NE ARG A 51 -2.386 16.836 4.845 1.00 5.58 N ATOM 772 CZ ARG A 51 -2.830 15.764 4.189 1.00 6.50 C ATOM 773 NH1 ARG A 51 -3.860 15.069 4.609 1.00 6.09 N ATOM 774 NH2 ARG A 51 -2.224 15.332 3.104 1.00 8.22 N ATOM 0 H ARG A 51 -0.628 17.764 9.721 1.00 1.21 H new ATOM 0 HA ARG A 51 -0.633 19.887 7.731 1.00 1.54 H new ATOM 0 HB2 ARG A 51 -3.102 18.317 8.487 1.00 1.83 H new ATOM 0 HB3 ARG A 51 -3.220 20.019 8.084 1.00 1.83 H new ATOM 0 HG2 ARG A 51 -3.501 19.277 5.948 1.00 3.09 H new ATOM 0 HG3 ARG A 51 -1.756 19.117 5.939 1.00 3.09 H new ATOM 0 HD2 ARG A 51 -2.206 16.723 6.939 1.00 3.83 H new ATOM 0 HD3 ARG A 51 -3.843 16.960 6.359 1.00 3.83 H new ATOM 0 HE ARG A 51 -1.697 17.419 4.371 1.00 5.58 H new ATOM 0 HH11 ARG A 51 -4.347 15.344 5.462 1.00 6.09 H new ATOM 0 HH12 ARG A 51 -4.174 14.254 4.083 1.00 6.09 H new ATOM 0 HH21 ARG A 51 -1.400 15.819 2.752 1.00 8.22 H new ATOM 0 HH22 ARG A 51 -2.578 14.510 2.615 1.00 8.22 H new ATOM 788 N GLU A 52 -1.629 21.476 9.644 1.00 1.66 N ATOM 789 CA GLU A 52 -1.972 22.342 10.773 1.00 1.67 C ATOM 790 C GLU A 52 -3.357 21.979 11.312 1.00 1.62 C ATOM 791 O GLU A 52 -4.272 21.788 10.516 1.00 1.73 O ATOM 792 CB GLU A 52 -1.962 23.824 10.341 1.00 1.83 C ATOM 793 CG GLU A 52 -1.060 24.665 11.228 1.00 2.05 C ATOM 794 CD GLU A 52 0.415 24.417 10.958 1.00 2.70 C ATOM 795 OE1 GLU A 52 0.905 23.329 11.315 1.00 2.87 O ATOM 796 OE2 GLU A 52 1.110 25.334 10.478 1.00 3.89 O ATOM 0 H GLU A 52 -1.677 21.948 8.741 1.00 1.66 H new ATOM 0 HA GLU A 52 -1.228 22.195 11.556 1.00 1.67 H new ATOM 0 HB2 GLU A 52 -1.626 23.899 9.307 1.00 1.83 H new ATOM 0 HB3 GLU A 52 -2.977 24.220 10.376 1.00 1.83 H new ATOM 0 HG2 GLU A 52 -1.283 25.720 11.071 1.00 2.05 H new ATOM 0 HG3 GLU A 52 -1.277 24.446 12.273 1.00 2.05 H new ATOM 803 N VAL A 53 -3.504 21.924 12.639 1.00 1.61 N ATOM 804 CA VAL A 53 -4.820 21.716 13.298 1.00 1.72 C ATOM 805 C VAL A 53 -5.169 22.777 14.367 1.00 1.78 C ATOM 806 O VAL A 53 -6.290 22.823 14.861 1.00 2.53 O ATOM 807 CB VAL A 53 -4.941 20.260 13.800 1.00 1.90 C ATOM 808 CG1 VAL A 53 -4.202 20.085 15.122 1.00 2.91 C ATOM 809 CG2 VAL A 53 -6.393 19.771 13.921 1.00 2.05 C ATOM 0 H VAL A 53 -2.727 22.020 13.293 1.00 1.61 H new ATOM 0 HA VAL A 53 -5.588 21.870 12.540 1.00 1.72 H new ATOM 0 HB VAL A 53 -4.473 19.635 13.039 1.00 1.90 H new ATOM 0 HG11 VAL A 53 -4.299 19.053 15.459 1.00 2.91 H new ATOM 0 HG12 VAL A 53 -3.148 20.324 14.984 1.00 2.91 H new ATOM 0 HG13 VAL A 53 -4.630 20.753 15.870 1.00 2.91 H new ATOM 0 HG21 VAL A 53 -6.402 18.741 14.279 1.00 2.05 H new ATOM 0 HG22 VAL A 53 -6.933 20.404 14.625 1.00 2.05 H new ATOM 0 HG23 VAL A 53 -6.876 19.820 12.945 1.00 2.05 H new ATOM 819 N GLU A 54 -4.219 23.666 14.686 1.00 2.29 N ATOM 820 CA GLU A 54 -4.322 24.756 15.678 1.00 2.30 C ATOM 821 C GLU A 54 -3.127 25.731 15.545 1.00 2.31 C ATOM 822 O GLU A 54 -2.621 26.273 16.521 1.00 2.44 O ATOM 823 CB GLU A 54 -4.475 24.212 17.116 1.00 2.35 C ATOM 824 CG GLU A 54 -3.324 23.264 17.455 1.00 3.87 C ATOM 825 CD GLU A 54 -2.960 23.193 18.937 1.00 3.62 C ATOM 826 OE1 GLU A 54 -2.932 24.237 19.628 1.00 3.71 O ATOM 827 OE2 GLU A 54 -2.500 22.121 19.385 1.00 4.23 O ATOM 0 H GLU A 54 -3.304 23.647 14.236 1.00 2.29 H new ATOM 0 HA GLU A 54 -5.231 25.319 15.466 1.00 2.30 H new ATOM 0 HB2 GLU A 54 -4.493 25.040 17.825 1.00 2.35 H new ATOM 0 HB3 GLU A 54 -5.426 23.689 17.214 1.00 2.35 H new ATOM 0 HG2 GLU A 54 -3.585 22.263 17.112 1.00 3.87 H new ATOM 0 HG3 GLU A 54 -2.442 23.573 16.894 1.00 3.87 H new ATOM 834 N GLY A 55 -2.550 25.842 14.343 1.00 2.32 N ATOM 835 CA GLY A 55 -1.223 26.438 14.123 1.00 2.38 C ATOM 836 C GLY A 55 -0.057 25.515 14.520 1.00 2.29 C ATOM 837 O GLY A 55 1.065 25.707 14.049 1.00 2.54 O ATOM 0 H GLY A 55 -2.995 25.517 13.484 1.00 2.32 H new ATOM 0 HA2 GLY A 55 -1.123 26.703 13.070 1.00 2.38 H new ATOM 0 HA3 GLY A 55 -1.152 27.365 14.693 1.00 2.38 H new ATOM 841 N LYS A 56 -0.308 24.465 15.314 1.00 2.08 N ATOM 842 CA LYS A 56 0.569 23.314 15.467 1.00 2.12 C ATOM 843 C LYS A 56 0.340 22.310 14.323 1.00 1.95 C ATOM 844 O LYS A 56 -0.806 22.063 13.919 1.00 1.75 O ATOM 845 CB LYS A 56 0.317 22.622 16.814 1.00 2.20 C ATOM 846 CG LYS A 56 0.524 23.484 18.073 1.00 2.73 C ATOM 847 CD LYS A 56 0.716 22.566 19.297 1.00 3.11 C ATOM 848 CE LYS A 56 0.581 23.272 20.655 1.00 3.60 C ATOM 849 NZ LYS A 56 -0.838 23.459 21.041 1.00 3.41 N ATOM 0 H LYS A 56 -1.154 24.399 15.881 1.00 2.08 H new ATOM 0 HA LYS A 56 1.600 23.665 15.434 1.00 2.12 H new ATOM 0 HB2 LYS A 56 -0.707 22.248 16.820 1.00 2.20 H new ATOM 0 HB3 LYS A 56 0.974 21.755 16.881 1.00 2.20 H new ATOM 0 HG2 LYS A 56 1.395 24.128 17.947 1.00 2.73 H new ATOM 0 HG3 LYS A 56 -0.336 24.137 18.226 1.00 2.73 H new ATOM 0 HD2 LYS A 56 -0.015 21.759 19.248 1.00 3.11 H new ATOM 0 HD3 LYS A 56 1.702 22.106 19.238 1.00 3.11 H new ATOM 0 HE2 LYS A 56 1.092 22.688 21.420 1.00 3.60 H new ATOM 0 HE3 LYS A 56 1.076 24.242 20.611 1.00 3.60 H new ATOM 0 HZ1 LYS A 56 -0.899 23.632 22.065 1.00 3.41 H new ATOM 0 HZ2 LYS A 56 -1.233 24.273 20.528 1.00 3.41 H new ATOM 0 HZ3 LYS A 56 -1.379 22.604 20.801 1.00 3.41 H new ATOM 863 N LYS A 57 1.438 21.703 13.861 1.00 2.05 N ATOM 864 CA LYS A 57 1.442 20.683 12.813 1.00 1.91 C ATOM 865 C LYS A 57 1.291 19.297 13.452 1.00 1.79 C ATOM 866 O LYS A 57 2.043 18.974 14.367 1.00 2.12 O ATOM 867 CB LYS A 57 2.687 20.765 11.890 1.00 2.29 C ATOM 868 CG LYS A 57 3.974 21.475 12.375 1.00 2.64 C ATOM 869 CD LYS A 57 4.126 22.940 11.902 1.00 3.32 C ATOM 870 CE LYS A 57 3.385 23.948 12.788 1.00 3.88 C ATOM 871 NZ LYS A 57 3.205 25.265 12.138 1.00 5.01 N ATOM 0 H LYS A 57 2.371 21.914 14.216 1.00 2.05 H new ATOM 0 HA LYS A 57 0.590 20.869 12.159 1.00 1.91 H new ATOM 0 HB2 LYS A 57 2.962 19.743 11.627 1.00 2.29 H new ATOM 0 HB3 LYS A 57 2.374 21.258 10.969 1.00 2.29 H new ATOM 0 HG2 LYS A 57 3.993 21.456 13.465 1.00 2.64 H new ATOM 0 HG3 LYS A 57 4.838 20.906 12.031 1.00 2.64 H new ATOM 0 HD2 LYS A 57 5.185 23.198 11.879 1.00 3.32 H new ATOM 0 HD3 LYS A 57 3.755 23.024 10.881 1.00 3.32 H new ATOM 0 HE2 LYS A 57 2.408 23.543 13.052 1.00 3.88 H new ATOM 0 HE3 LYS A 57 3.937 24.080 13.718 1.00 3.88 H new ATOM 0 HZ1 LYS A 57 2.612 25.871 12.740 1.00 5.01 H new ATOM 0 HZ2 LYS A 57 4.133 25.715 12.002 1.00 5.01 H new ATOM 0 HZ3 LYS A 57 2.744 25.136 11.215 1.00 5.01 H new ATOM 885 N VAL A 58 0.323 18.509 12.988 1.00 1.42 N ATOM 886 CA VAL A 58 -0.102 17.242 13.603 1.00 1.30 C ATOM 887 C VAL A 58 -0.289 16.167 12.524 1.00 1.01 C ATOM 888 O VAL A 58 -0.668 16.470 11.387 1.00 0.98 O ATOM 889 CB VAL A 58 -1.378 17.457 14.455 1.00 1.46 C ATOM 890 CG1 VAL A 58 -1.950 16.157 15.044 1.00 1.67 C ATOM 891 CG2 VAL A 58 -1.090 18.423 15.622 1.00 2.15 C ATOM 0 H VAL A 58 -0.207 18.737 12.147 1.00 1.42 H new ATOM 0 HA VAL A 58 0.676 16.887 14.280 1.00 1.30 H new ATOM 0 HB VAL A 58 -2.118 17.872 13.771 1.00 1.46 H new ATOM 0 HG11 VAL A 58 -2.842 16.384 15.628 1.00 1.67 H new ATOM 0 HG12 VAL A 58 -2.210 15.474 14.235 1.00 1.67 H new ATOM 0 HG13 VAL A 58 -1.204 15.690 15.687 1.00 1.67 H new ATOM 0 HG21 VAL A 58 -1.997 18.563 16.211 1.00 2.15 H new ATOM 0 HG22 VAL A 58 -0.307 18.005 16.255 1.00 2.15 H new ATOM 0 HG23 VAL A 58 -0.762 19.384 15.226 1.00 2.15 H new ATOM 901 N MET A 59 0.037 14.923 12.882 1.00 1.11 N ATOM 902 CA MET A 59 0.005 13.746 12.007 1.00 1.09 C ATOM 903 C MET A 59 -1.393 13.118 11.888 1.00 1.01 C ATOM 904 O MET A 59 -2.228 13.271 12.776 1.00 1.33 O ATOM 905 CB MET A 59 1.007 12.687 12.500 1.00 1.32 C ATOM 906 CG MET A 59 2.448 12.996 12.084 1.00 2.11 C ATOM 907 SD MET A 59 3.194 14.473 12.821 1.00 3.17 S ATOM 908 CE MET A 59 4.851 14.276 12.133 1.00 3.35 C ATOM 0 H MET A 59 0.343 14.698 13.828 1.00 1.11 H new ATOM 0 HA MET A 59 0.285 14.095 11.013 1.00 1.09 H new ATOM 0 HB2 MET A 59 0.953 12.621 13.587 1.00 1.32 H new ATOM 0 HB3 MET A 59 0.721 11.712 12.107 1.00 1.32 H new ATOM 0 HG2 MET A 59 3.069 12.136 12.336 1.00 2.11 H new ATOM 0 HG3 MET A 59 2.476 13.103 11.000 1.00 2.11 H new ATOM 0 HE1 MET A 59 5.384 15.225 12.192 1.00 3.35 H new ATOM 0 HE2 MET A 59 5.393 13.519 12.700 1.00 3.35 H new ATOM 0 HE3 MET A 59 4.778 13.965 11.091 1.00 3.35 H new ATOM 918 N GLY A 60 -1.626 12.355 10.817 1.00 1.07 N ATOM 919 CA GLY A 60 -2.835 11.540 10.652 1.00 1.08 C ATOM 920 C GLY A 60 -2.820 10.653 9.409 1.00 1.02 C ATOM 921 O GLY A 60 -1.861 10.666 8.641 1.00 1.42 O ATOM 0 H GLY A 60 -0.977 12.284 10.033 1.00 1.07 H new ATOM 0 HA2 GLY A 60 -2.960 10.911 11.533 1.00 1.08 H new ATOM 0 HA3 GLY A 60 -3.702 12.199 10.605 1.00 1.08 H new ATOM 925 N MET A 61 -3.905 9.899 9.212 1.00 0.76 N ATOM 926 CA MET A 61 -4.150 9.026 8.054 1.00 0.65 C ATOM 927 C MET A 61 -5.561 9.255 7.498 1.00 0.68 C ATOM 928 O MET A 61 -6.451 9.699 8.227 1.00 0.83 O ATOM 929 CB MET A 61 -4.033 7.542 8.449 1.00 0.69 C ATOM 930 CG MET A 61 -2.651 7.111 8.947 1.00 0.85 C ATOM 931 SD MET A 61 -2.247 7.506 10.668 1.00 1.46 S ATOM 932 CE MET A 61 -0.745 6.510 10.784 1.00 1.48 C ATOM 0 H MET A 61 -4.672 9.877 9.884 1.00 0.76 H new ATOM 0 HA MET A 61 -3.401 9.270 7.301 1.00 0.65 H new ATOM 0 HB2 MET A 61 -4.765 7.330 9.228 1.00 0.69 H new ATOM 0 HB3 MET A 61 -4.299 6.930 7.587 1.00 0.69 H new ATOM 0 HG2 MET A 61 -2.563 6.033 8.816 1.00 0.85 H new ATOM 0 HG3 MET A 61 -1.899 7.572 8.306 1.00 0.85 H new ATOM 0 HE1 MET A 61 -0.171 6.817 11.658 1.00 1.48 H new ATOM 0 HE2 MET A 61 -1.013 5.457 10.877 1.00 1.48 H new ATOM 0 HE3 MET A 61 -0.143 6.653 9.887 1.00 1.48 H new ATOM 942 N ARG A 62 -5.782 8.901 6.229 1.00 0.60 N ATOM 943 CA ARG A 62 -7.103 8.825 5.577 1.00 0.54 C ATOM 944 C ARG A 62 -7.019 7.941 4.329 1.00 0.49 C ATOM 945 O ARG A 62 -5.992 8.017 3.650 1.00 0.45 O ATOM 946 CB ARG A 62 -7.606 10.215 5.128 1.00 0.62 C ATOM 947 CG ARG A 62 -8.443 10.954 6.185 1.00 1.61 C ATOM 948 CD ARG A 62 -9.312 12.057 5.565 1.00 1.99 C ATOM 949 NE ARG A 62 -10.413 11.525 4.731 1.00 3.07 N ATOM 950 CZ ARG A 62 -11.597 11.081 5.149 1.00 4.52 C ATOM 951 NH1 ARG A 62 -11.889 10.974 6.429 1.00 5.45 N ATOM 952 NH2 ARG A 62 -12.509 10.728 4.268 1.00 5.68 N ATOM 0 H ARG A 62 -5.020 8.649 5.599 1.00 0.60 H new ATOM 0 HA ARG A 62 -7.794 8.411 6.311 1.00 0.54 H new ATOM 0 HB2 ARG A 62 -6.747 10.832 4.865 1.00 0.62 H new ATOM 0 HB3 ARG A 62 -8.204 10.098 4.224 1.00 0.62 H new ATOM 0 HG2 ARG A 62 -9.081 10.240 6.706 1.00 1.61 H new ATOM 0 HG3 ARG A 62 -7.780 11.392 6.931 1.00 1.61 H new ATOM 0 HD2 ARG A 62 -9.731 12.672 6.361 1.00 1.99 H new ATOM 0 HD3 ARG A 62 -8.684 12.708 4.956 1.00 1.99 H new ATOM 0 HE ARG A 62 -10.247 11.495 3.725 1.00 3.07 H new ATOM 0 HH11 ARG A 62 -11.199 11.235 7.133 1.00 5.45 H new ATOM 0 HH12 ARG A 62 -12.805 10.630 6.716 1.00 5.45 H new ATOM 0 HH21 ARG A 62 -12.307 10.795 3.270 1.00 5.68 H new ATOM 0 HH22 ARG A 62 -13.417 10.387 4.583 1.00 5.68 H new ATOM 966 N PRO A 63 -8.084 7.199 3.955 1.00 0.56 N ATOM 967 CA PRO A 63 -8.183 6.625 2.627 1.00 0.55 C ATOM 968 C PRO A 63 -8.252 7.731 1.577 1.00 0.54 C ATOM 969 O PRO A 63 -8.804 8.806 1.823 1.00 0.57 O ATOM 970 CB PRO A 63 -9.398 5.710 2.583 1.00 0.65 C ATOM 971 CG PRO A 63 -10.125 5.951 3.897 1.00 0.87 C ATOM 972 CD PRO A 63 -9.321 6.992 4.686 1.00 0.64 C ATOM 0 HA PRO A 63 -7.297 6.032 2.400 1.00 0.55 H new ATOM 0 HB2 PRO A 63 -10.036 5.944 1.731 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -9.102 4.666 2.482 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -11.139 6.308 3.714 1.00 0.87 H new ATOM 0 HG3 PRO A 63 -10.211 5.024 4.463 1.00 0.87 H new ATOM 0 HD2 PRO A 63 -9.878 7.924 4.777 1.00 0.64 H new ATOM 0 HD3 PRO A 63 -9.119 6.641 5.698 1.00 0.64 H new ATOM 980 N VAL A 64 -7.698 7.421 0.408 1.00 0.53 N ATOM 981 CA VAL A 64 -7.635 8.304 -0.768 1.00 0.53 C ATOM 982 C VAL A 64 -8.239 7.615 -1.997 1.00 0.53 C ATOM 983 O VAL A 64 -8.248 6.383 -2.049 1.00 0.51 O ATOM 984 CB VAL A 64 -6.187 8.758 -1.095 1.00 0.54 C ATOM 985 CG1 VAL A 64 -5.836 9.998 -0.268 1.00 0.58 C ATOM 986 CG2 VAL A 64 -5.108 7.680 -0.901 1.00 0.58 C ATOM 0 H VAL A 64 -7.262 6.514 0.241 1.00 0.53 H new ATOM 0 HA VAL A 64 -8.216 9.191 -0.518 1.00 0.53 H new ATOM 0 HB VAL A 64 -6.185 8.982 -2.162 1.00 0.54 H new ATOM 0 HG11 VAL A 64 -4.819 10.314 -0.500 1.00 0.58 H new ATOM 0 HG12 VAL A 64 -6.530 10.804 -0.508 1.00 0.58 H new ATOM 0 HG13 VAL A 64 -5.909 9.760 0.793 1.00 0.58 H new ATOM 0 HG21 VAL A 64 -4.132 8.093 -1.154 1.00 0.58 H new ATOM 0 HG22 VAL A 64 -5.104 7.352 0.138 1.00 0.58 H new ATOM 0 HG23 VAL A 64 -5.322 6.830 -1.549 1.00 0.58 H new ATOM 996 N PRO A 65 -8.733 8.380 -2.994 1.00 0.58 N ATOM 997 CA PRO A 65 -9.300 7.815 -4.212 1.00 0.61 C ATOM 998 C PRO A 65 -8.236 7.192 -5.121 1.00 0.55 C ATOM 999 O PRO A 65 -8.586 6.312 -5.903 1.00 0.61 O ATOM 1000 CB PRO A 65 -10.012 8.980 -4.906 1.00 0.70 C ATOM 1001 CG PRO A 65 -9.208 10.199 -4.461 1.00 0.68 C ATOM 1002 CD PRO A 65 -8.823 9.836 -3.027 1.00 0.63 C ATOM 0 HA PRO A 65 -9.982 6.997 -3.980 1.00 0.61 H new ATOM 0 HB2 PRO A 65 -10.005 8.867 -5.990 1.00 0.70 H new ATOM 0 HB3 PRO A 65 -11.056 9.053 -4.600 1.00 0.70 H new ATOM 0 HG2 PRO A 65 -8.331 10.358 -5.089 1.00 0.68 H new ATOM 0 HG3 PRO A 65 -9.800 11.113 -4.503 1.00 0.68 H new ATOM 0 HD2 PRO A 65 -7.873 10.293 -2.750 1.00 0.63 H new ATOM 0 HD3 PRO A 65 -9.569 10.198 -2.319 1.00 0.63 H new ATOM 1010 N PHE A 66 -6.964 7.613 -5.022 1.00 0.49 N ATOM 1011 CA PHE A 66 -5.853 7.086 -5.820 1.00 0.48 C ATOM 1012 C PHE A 66 -4.489 7.611 -5.352 1.00 0.47 C ATOM 1013 O PHE A 66 -4.386 8.603 -4.630 1.00 0.52 O ATOM 1014 CB PHE A 66 -6.059 7.356 -7.329 1.00 0.54 C ATOM 1015 CG PHE A 66 -6.133 8.813 -7.746 1.00 0.57 C ATOM 1016 CD1 PHE A 66 -4.960 9.532 -8.041 1.00 1.44 C ATOM 1017 CD2 PHE A 66 -7.386 9.439 -7.886 1.00 1.85 C ATOM 1018 CE1 PHE A 66 -5.036 10.866 -8.476 1.00 1.50 C ATOM 1019 CE2 PHE A 66 -7.462 10.778 -8.311 1.00 1.86 C ATOM 1020 CZ PHE A 66 -6.288 11.491 -8.611 1.00 0.74 C ATOM 0 H PHE A 66 -6.677 8.344 -4.371 1.00 0.49 H new ATOM 0 HA PHE A 66 -5.850 6.007 -5.665 1.00 0.48 H new ATOM 0 HB2 PHE A 66 -5.242 6.884 -7.876 1.00 0.54 H new ATOM 0 HB3 PHE A 66 -6.979 6.863 -7.643 1.00 0.54 H new ATOM 0 HD1 PHE A 66 -3.997 9.056 -7.933 1.00 1.44 H new ATOM 0 HD2 PHE A 66 -8.290 8.891 -7.667 1.00 1.85 H new ATOM 0 HE1 PHE A 66 -4.133 11.411 -8.707 1.00 1.50 H new ATOM 0 HE2 PHE A 66 -8.424 11.259 -8.407 1.00 1.86 H new ATOM 0 HZ PHE A 66 -6.348 12.517 -8.944 1.00 0.74 H new ATOM 1030 N LEU A 67 -3.443 6.942 -5.838 1.00 0.48 N ATOM 1031 CA LEU A 67 -2.088 7.460 -6.006 1.00 0.49 C ATOM 1032 C LEU A 67 -1.756 7.527 -7.501 1.00 0.54 C ATOM 1033 O LEU A 67 -2.471 6.979 -8.341 1.00 0.58 O ATOM 1034 CB LEU A 67 -1.085 6.522 -5.301 1.00 0.52 C ATOM 1035 CG LEU A 67 -0.706 6.908 -3.863 1.00 0.63 C ATOM 1036 CD1 LEU A 67 0.371 5.912 -3.414 1.00 1.00 C ATOM 1037 CD2 LEU A 67 -0.138 8.333 -3.764 1.00 0.87 C ATOM 0 H LEU A 67 -3.525 5.971 -6.141 1.00 0.48 H new ATOM 0 HA LEU A 67 -2.021 8.456 -5.568 1.00 0.49 H new ATOM 0 HB2 LEU A 67 -1.504 5.516 -5.289 1.00 0.52 H new ATOM 0 HB3 LEU A 67 -0.174 6.480 -5.898 1.00 0.52 H new ATOM 0 HG LEU A 67 -1.598 6.879 -3.237 1.00 0.63 H new ATOM 0 HD11 LEU A 67 0.677 6.143 -2.394 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -0.031 4.900 -3.452 1.00 1.00 H new ATOM 0 HD13 LEU A 67 1.233 5.985 -4.077 1.00 1.00 H new ATOM 0 HD21 LEU A 67 0.113 8.553 -2.726 1.00 0.87 H new ATOM 0 HD22 LEU A 67 0.759 8.411 -4.379 1.00 0.87 H new ATOM 0 HD23 LEU A 67 -0.882 9.047 -4.117 1.00 0.87 H new ATOM 1049 N GLU A 68 -0.614 8.115 -7.838 1.00 0.59 N ATOM 1050 CA GLU A 68 -0.037 8.001 -9.171 1.00 0.62 C ATOM 1051 C GLU A 68 1.472 8.199 -9.145 1.00 0.67 C ATOM 1052 O GLU A 68 2.044 8.605 -8.134 1.00 0.70 O ATOM 1053 CB GLU A 68 -0.744 8.909 -10.193 1.00 0.73 C ATOM 1054 CG GLU A 68 -0.345 10.382 -10.180 1.00 0.90 C ATOM 1055 CD GLU A 68 -1.214 11.077 -11.222 1.00 1.10 C ATOM 1056 OE1 GLU A 68 -0.800 11.153 -12.400 1.00 2.05 O ATOM 1057 OE2 GLU A 68 -2.378 11.391 -10.890 1.00 2.05 O ATOM 0 H GLU A 68 -0.063 8.684 -7.195 1.00 0.59 H new ATOM 0 HA GLU A 68 -0.211 6.981 -9.513 1.00 0.62 H new ATOM 0 HB2 GLU A 68 -0.555 8.512 -11.191 1.00 0.73 H new ATOM 0 HB3 GLU A 68 -1.819 8.844 -10.022 1.00 0.73 H new ATOM 0 HG2 GLU A 68 -0.501 10.817 -9.193 1.00 0.90 H new ATOM 0 HG3 GLU A 68 0.713 10.499 -10.417 1.00 0.90 H new ATOM 1064 N VAL A 69 2.093 7.861 -10.271 1.00 0.71 N ATOM 1065 CA VAL A 69 3.532 7.743 -10.453 1.00 0.74 C ATOM 1066 C VAL A 69 3.882 8.218 -11.868 1.00 0.79 C ATOM 1067 O VAL A 69 3.255 7.750 -12.827 1.00 0.81 O ATOM 1068 CB VAL A 69 3.999 6.273 -10.291 1.00 0.80 C ATOM 1069 CG1 VAL A 69 5.519 6.200 -10.109 1.00 0.83 C ATOM 1070 CG2 VAL A 69 3.336 5.535 -9.114 1.00 0.87 C ATOM 0 H VAL A 69 1.576 7.651 -11.125 1.00 0.71 H new ATOM 0 HA VAL A 69 4.032 8.349 -9.698 1.00 0.74 H new ATOM 0 HB VAL A 69 3.692 5.776 -11.211 1.00 0.80 H new ATOM 0 HG11 VAL A 69 5.823 5.159 -9.997 1.00 0.83 H new ATOM 0 HG12 VAL A 69 6.011 6.630 -10.981 1.00 0.83 H new ATOM 0 HG13 VAL A 69 5.806 6.759 -9.218 1.00 0.83 H new ATOM 0 HG21 VAL A 69 3.713 4.514 -9.066 1.00 0.87 H new ATOM 0 HG22 VAL A 69 3.569 6.052 -8.183 1.00 0.87 H new ATOM 0 HG23 VAL A 69 2.256 5.516 -9.258 1.00 0.87 H new ATOM 1080 N PRO A 70 4.870 9.117 -12.039 1.00 0.83 N ATOM 1081 CA PRO A 70 5.311 9.546 -13.356 1.00 0.90 C ATOM 1082 C PRO A 70 6.061 8.415 -14.080 1.00 0.92 C ATOM 1083 O PRO A 70 6.480 7.448 -13.437 1.00 0.89 O ATOM 1084 CB PRO A 70 6.210 10.760 -13.104 1.00 0.95 C ATOM 1085 CG PRO A 70 6.802 10.475 -11.723 1.00 0.91 C ATOM 1086 CD PRO A 70 5.658 9.768 -11.000 1.00 0.84 C ATOM 0 HA PRO A 70 4.475 9.804 -14.006 1.00 0.90 H new ATOM 0 HB2 PRO A 70 6.986 10.851 -13.864 1.00 0.95 H new ATOM 0 HB3 PRO A 70 5.643 11.691 -13.115 1.00 0.95 H new ATOM 0 HG2 PRO A 70 7.690 9.846 -11.786 1.00 0.91 H new ATOM 0 HG3 PRO A 70 7.097 11.392 -11.213 1.00 0.91 H new ATOM 0 HD2 PRO A 70 6.039 9.039 -10.285 1.00 0.84 H new ATOM 0 HD3 PRO A 70 5.052 10.479 -10.438 1.00 0.84 H new ATOM 1094 N PRO A 71 6.259 8.532 -15.407 1.00 0.99 N ATOM 1095 CA PRO A 71 7.105 7.615 -16.160 1.00 0.98 C ATOM 1096 C PRO A 71 8.530 7.623 -15.607 1.00 0.98 C ATOM 1097 O PRO A 71 9.039 8.673 -15.220 1.00 1.03 O ATOM 1098 CB PRO A 71 7.039 8.070 -17.615 1.00 1.03 C ATOM 1099 CG PRO A 71 6.463 9.482 -17.592 1.00 1.10 C ATOM 1100 CD PRO A 71 5.741 9.593 -16.255 1.00 1.04 C ATOM 0 HA PRO A 71 6.764 6.583 -16.077 1.00 0.98 H new ATOM 0 HB2 PRO A 71 8.029 8.060 -18.071 1.00 1.03 H new ATOM 0 HB3 PRO A 71 6.410 7.402 -18.204 1.00 1.03 H new ATOM 0 HG2 PRO A 71 7.250 10.231 -17.678 1.00 1.10 H new ATOM 0 HG3 PRO A 71 5.778 9.642 -18.425 1.00 1.10 H new ATOM 0 HD2 PRO A 71 5.915 10.569 -15.802 1.00 1.04 H new ATOM 0 HD3 PRO A 71 4.664 9.490 -16.388 1.00 1.04 H new ATOM 1108 N LYS A 72 9.147 6.437 -15.527 1.00 0.95 N ATOM 1109 CA LYS A 72 10.482 6.189 -14.938 1.00 0.96 C ATOM 1110 C LYS A 72 10.537 6.425 -13.412 1.00 1.03 C ATOM 1111 O LYS A 72 11.603 6.383 -12.802 1.00 1.12 O ATOM 1112 CB LYS A 72 11.563 6.989 -15.689 1.00 1.00 C ATOM 1113 CG LYS A 72 11.527 6.788 -17.211 1.00 1.17 C ATOM 1114 CD LYS A 72 12.100 5.430 -17.647 1.00 0.80 C ATOM 1115 CE LYS A 72 11.957 5.228 -19.160 1.00 1.03 C ATOM 1116 NZ LYS A 72 10.592 4.794 -19.528 1.00 1.57 N ATOM 0 H LYS A 72 8.717 5.584 -15.884 1.00 0.95 H new ATOM 0 HA LYS A 72 10.690 5.127 -15.067 1.00 0.96 H new ATOM 0 HB2 LYS A 72 11.439 8.049 -15.467 1.00 1.00 H new ATOM 0 HB3 LYS A 72 12.545 6.698 -15.315 1.00 1.00 H new ATOM 0 HG2 LYS A 72 10.498 6.871 -17.559 1.00 1.17 H new ATOM 0 HG3 LYS A 72 12.092 7.587 -17.692 1.00 1.17 H new ATOM 0 HD2 LYS A 72 13.152 5.369 -17.367 1.00 0.80 H new ATOM 0 HD3 LYS A 72 11.583 4.628 -17.120 1.00 0.80 H new ATOM 0 HE2 LYS A 72 12.194 6.159 -19.675 1.00 1.03 H new ATOM 0 HE3 LYS A 72 12.679 4.484 -19.498 1.00 1.03 H new ATOM 0 HZ1 LYS A 72 10.565 4.554 -20.539 1.00 1.57 H new ATOM 0 HZ2 LYS A 72 10.330 3.959 -18.967 1.00 1.57 H new ATOM 0 HZ3 LYS A 72 9.920 5.564 -19.337 1.00 1.57 H new ATOM 1130 N GLY A 73 9.382 6.685 -12.797 1.00 1.06 N ATOM 1131 CA GLY A 73 9.175 7.018 -11.394 1.00 1.16 C ATOM 1132 C GLY A 73 9.180 5.796 -10.498 1.00 0.87 C ATOM 1133 O GLY A 73 8.343 4.907 -10.611 1.00 0.92 O ATOM 0 H GLY A 73 8.501 6.666 -13.311 1.00 1.06 H new ATOM 0 HA2 GLY A 73 9.956 7.706 -11.069 1.00 1.16 H new ATOM 0 HA3 GLY A 73 8.224 7.540 -11.285 1.00 1.16 H new ATOM 1137 N ARG A 74 10.118 5.828 -9.566 1.00 1.01 N ATOM 1138 CA ARG A 74 10.222 4.936 -8.411 1.00 0.99 C ATOM 1139 C ARG A 74 9.474 5.501 -7.198 1.00 0.98 C ATOM 1140 O ARG A 74 9.597 6.695 -6.934 1.00 1.22 O ATOM 1141 CB ARG A 74 11.719 4.753 -8.115 1.00 1.49 C ATOM 1142 CG ARG A 74 12.098 4.099 -6.781 1.00 1.46 C ATOM 1143 CD ARG A 74 11.739 2.618 -6.725 1.00 1.58 C ATOM 1144 NE ARG A 74 12.199 2.066 -5.450 1.00 2.25 N ATOM 1145 CZ ARG A 74 12.810 0.906 -5.265 1.00 2.71 C ATOM 1146 NH1 ARG A 74 12.957 0.016 -6.229 1.00 2.82 N ATOM 1147 NH2 ARG A 74 13.267 0.627 -4.065 1.00 4.00 N ATOM 0 H ARG A 74 10.872 6.514 -9.592 1.00 1.01 H new ATOM 0 HA ARG A 74 9.757 3.974 -8.629 1.00 0.99 H new ATOM 0 HB2 ARG A 74 12.151 4.156 -8.918 1.00 1.49 H new ATOM 0 HB3 ARG A 74 12.193 5.734 -8.157 1.00 1.49 H new ATOM 0 HG2 ARG A 74 13.169 4.215 -6.616 1.00 1.46 H new ATOM 0 HG3 ARG A 74 11.592 4.622 -5.969 1.00 1.46 H new ATOM 0 HD2 ARG A 74 10.662 2.487 -6.825 1.00 1.58 H new ATOM 0 HD3 ARG A 74 12.203 2.086 -7.555 1.00 1.58 H new ATOM 0 HE ARG A 74 12.032 2.633 -4.619 1.00 2.25 H new ATOM 0 HH11 ARG A 74 12.593 0.210 -7.162 1.00 2.82 H new ATOM 0 HH12 ARG A 74 13.435 -0.865 -6.041 1.00 2.82 H new ATOM 0 HH21 ARG A 74 13.147 1.297 -3.305 1.00 4.00 H new ATOM 0 HH22 ARG A 74 13.742 -0.259 -3.893 1.00 4.00 H new ATOM 1161 N VAL A 75 8.750 4.652 -6.458 1.00 0.94 N ATOM 1162 CA VAL A 75 8.046 5.006 -5.209 1.00 1.02 C ATOM 1163 C VAL A 75 7.850 3.801 -4.270 1.00 1.01 C ATOM 1164 O VAL A 75 7.237 2.794 -4.607 1.00 1.17 O ATOM 1165 CB VAL A 75 6.664 5.675 -5.437 1.00 1.24 C ATOM 1166 CG1 VAL A 75 6.743 7.130 -5.927 1.00 1.36 C ATOM 1167 CG2 VAL A 75 5.762 4.888 -6.402 1.00 1.37 C ATOM 0 H VAL A 75 8.632 3.672 -6.715 1.00 0.94 H new ATOM 0 HA VAL A 75 8.710 5.732 -4.739 1.00 1.02 H new ATOM 0 HB VAL A 75 6.222 5.670 -4.441 1.00 1.24 H new ATOM 0 HG11 VAL A 75 5.736 7.524 -6.062 1.00 1.36 H new ATOM 0 HG12 VAL A 75 7.273 7.734 -5.190 1.00 1.36 H new ATOM 0 HG13 VAL A 75 7.276 7.166 -6.877 1.00 1.36 H new ATOM 0 HG21 VAL A 75 4.812 5.409 -6.518 1.00 1.37 H new ATOM 0 HG22 VAL A 75 6.252 4.806 -7.372 1.00 1.37 H new ATOM 0 HG23 VAL A 75 5.582 3.891 -6.000 1.00 1.37 H new ATOM 1177 N GLU A 76 8.316 3.947 -3.036 1.00 1.21 N ATOM 1178 CA GLU A 76 8.061 3.008 -1.942 1.00 1.17 C ATOM 1179 C GLU A 76 6.819 3.408 -1.132 1.00 1.13 C ATOM 1180 O GLU A 76 6.783 4.471 -0.509 1.00 1.21 O ATOM 1181 CB GLU A 76 9.293 2.903 -1.027 1.00 1.34 C ATOM 1182 CG GLU A 76 10.407 2.042 -1.642 1.00 2.22 C ATOM 1183 CD GLU A 76 11.519 2.810 -2.358 1.00 3.12 C ATOM 1184 OE1 GLU A 76 11.203 3.595 -3.275 1.00 3.71 O ATOM 1185 OE2 GLU A 76 12.702 2.484 -2.112 1.00 4.23 O ATOM 0 H GLU A 76 8.896 4.739 -2.758 1.00 1.21 H new ATOM 0 HA GLU A 76 7.866 2.030 -2.382 1.00 1.17 H new ATOM 0 HB2 GLU A 76 9.679 3.902 -0.826 1.00 1.34 H new ATOM 0 HB3 GLU A 76 8.995 2.477 -0.069 1.00 1.34 H new ATOM 0 HG2 GLU A 76 10.856 1.442 -0.851 1.00 2.22 H new ATOM 0 HG3 GLU A 76 9.955 1.348 -2.351 1.00 2.22 H new ATOM 1192 N LEU A 77 5.831 2.505 -1.055 1.00 1.08 N ATOM 1193 CA LEU A 77 4.788 2.554 -0.024 1.00 1.05 C ATOM 1194 C LEU A 77 5.372 2.143 1.337 1.00 1.21 C ATOM 1195 O LEU A 77 6.277 1.317 1.442 1.00 1.86 O ATOM 1196 CB LEU A 77 3.547 1.714 -0.401 1.00 0.91 C ATOM 1197 CG LEU A 77 2.600 2.410 -1.405 1.00 0.76 C ATOM 1198 CD1 LEU A 77 3.044 2.209 -2.863 1.00 0.77 C ATOM 1199 CD2 LEU A 77 1.157 1.906 -1.236 1.00 0.68 C ATOM 0 H LEU A 77 5.734 1.724 -1.703 1.00 1.08 H new ATOM 0 HA LEU A 77 4.437 3.583 0.050 1.00 1.05 H new ATOM 0 HB2 LEU A 77 3.878 0.766 -0.826 1.00 0.91 H new ATOM 0 HB3 LEU A 77 2.990 1.480 0.506 1.00 0.91 H new ATOM 0 HG LEU A 77 2.643 3.476 -1.183 1.00 0.76 H new ATOM 0 HD11 LEU A 77 2.346 2.717 -3.529 1.00 0.77 H new ATOM 0 HD12 LEU A 77 4.043 2.623 -3.000 1.00 0.77 H new ATOM 0 HD13 LEU A 77 3.058 1.144 -3.096 1.00 0.77 H new ATOM 0 HD21 LEU A 77 0.509 2.410 -1.953 1.00 0.68 H new ATOM 0 HD22 LEU A 77 1.124 0.831 -1.411 1.00 0.68 H new ATOM 0 HD23 LEU A 77 0.813 2.120 -0.224 1.00 0.68 H new ATOM 1211 N LYS A 78 4.836 2.748 2.398 1.00 1.44 N ATOM 1212 CA LYS A 78 5.485 2.883 3.704 1.00 1.38 C ATOM 1213 C LYS A 78 4.510 3.465 4.756 1.00 1.11 C ATOM 1214 O LYS A 78 3.645 4.255 4.376 1.00 1.11 O ATOM 1215 CB LYS A 78 6.781 3.721 3.530 1.00 1.54 C ATOM 1216 CG LYS A 78 6.629 5.063 2.763 1.00 1.58 C ATOM 1217 CD LYS A 78 7.952 5.501 2.110 1.00 2.16 C ATOM 1218 CE LYS A 78 8.972 6.110 3.079 1.00 2.03 C ATOM 1219 NZ LYS A 78 8.651 7.529 3.368 1.00 2.60 N ATOM 0 H LYS A 78 3.908 3.171 2.372 1.00 1.44 H new ATOM 0 HA LYS A 78 5.769 1.904 4.089 1.00 1.38 H new ATOM 0 HB2 LYS A 78 7.187 3.935 4.519 1.00 1.54 H new ATOM 0 HB3 LYS A 78 7.518 3.109 3.009 1.00 1.54 H new ATOM 0 HG2 LYS A 78 5.862 4.958 1.996 1.00 1.58 H new ATOM 0 HG3 LYS A 78 6.289 5.838 3.450 1.00 1.58 H new ATOM 0 HD2 LYS A 78 8.405 4.637 1.623 1.00 2.16 H new ATOM 0 HD3 LYS A 78 7.733 6.229 1.329 1.00 2.16 H new ATOM 0 HE2 LYS A 78 8.982 5.539 4.008 1.00 2.03 H new ATOM 0 HE3 LYS A 78 9.972 6.040 2.651 1.00 2.03 H new ATOM 0 HZ1 LYS A 78 9.455 7.974 3.855 1.00 2.60 H new ATOM 0 HZ2 LYS A 78 8.465 8.031 2.477 1.00 2.60 H new ATOM 0 HZ3 LYS A 78 7.808 7.578 3.975 1.00 2.60 H new ATOM 1233 N PRO A 79 4.659 3.136 6.056 1.00 0.96 N ATOM 1234 CA PRO A 79 3.789 3.658 7.109 1.00 0.77 C ATOM 1235 C PRO A 79 3.888 5.184 7.215 1.00 0.81 C ATOM 1236 O PRO A 79 2.865 5.856 7.165 1.00 0.92 O ATOM 1237 CB PRO A 79 4.198 2.930 8.395 1.00 0.82 C ATOM 1238 CG PRO A 79 5.622 2.444 8.122 1.00 0.96 C ATOM 1239 CD PRO A 79 5.635 2.207 6.614 1.00 1.06 C ATOM 0 HA PRO A 79 2.736 3.472 6.896 1.00 0.77 H new ATOM 0 HB2 PRO A 79 4.164 3.597 9.257 1.00 0.82 H new ATOM 0 HB3 PRO A 79 3.528 2.097 8.610 1.00 0.82 H new ATOM 0 HG2 PRO A 79 6.363 3.186 8.418 1.00 0.96 H new ATOM 0 HG3 PRO A 79 5.847 1.531 8.674 1.00 0.96 H new ATOM 0 HD2 PRO A 79 6.627 2.386 6.199 1.00 1.06 H new ATOM 0 HD3 PRO A 79 5.372 1.176 6.378 1.00 1.06 H new ATOM 1247 N GLY A 80 5.102 5.750 7.248 1.00 1.07 N ATOM 1248 CA GLY A 80 5.316 7.191 7.059 1.00 1.36 C ATOM 1249 C GLY A 80 5.287 7.554 5.575 1.00 1.37 C ATOM 1250 O GLY A 80 6.341 7.814 4.988 1.00 1.72 O ATOM 0 H GLY A 80 5.961 5.223 7.406 1.00 1.07 H new ATOM 0 HA2 GLY A 80 4.546 7.750 7.590 1.00 1.36 H new ATOM 0 HA3 GLY A 80 6.274 7.481 7.490 1.00 1.36 H new ATOM 1254 N GLY A 81 4.100 7.498 4.961 1.00 1.14 N ATOM 1255 CA GLY A 81 3.873 7.727 3.532 1.00 1.11 C ATOM 1256 C GLY A 81 2.471 7.351 3.066 1.00 0.88 C ATOM 1257 O GLY A 81 1.547 8.148 3.138 1.00 0.92 O ATOM 0 H GLY A 81 3.240 7.284 5.466 1.00 1.14 H new ATOM 0 HA2 GLY A 81 4.050 8.779 3.309 1.00 1.11 H new ATOM 0 HA3 GLY A 81 4.602 7.153 2.961 1.00 1.11 H new ATOM 1261 N TYR A 82 2.336 6.143 2.526 1.00 0.77 N ATOM 1262 CA TYR A 82 1.131 5.624 1.862 1.00 0.59 C ATOM 1263 C TYR A 82 1.071 4.121 2.068 1.00 0.62 C ATOM 1264 O TYR A 82 2.099 3.446 1.981 1.00 0.84 O ATOM 1265 CB TYR A 82 1.157 5.911 0.357 1.00 0.58 C ATOM 1266 CG TYR A 82 1.309 7.375 0.049 1.00 0.56 C ATOM 1267 CD1 TYR A 82 0.175 8.205 -0.012 1.00 1.64 C ATOM 1268 CD2 TYR A 82 2.600 7.917 -0.047 1.00 1.77 C ATOM 1269 CE1 TYR A 82 0.336 9.595 -0.127 1.00 1.65 C ATOM 1270 CE2 TYR A 82 2.773 9.305 -0.129 1.00 1.84 C ATOM 1271 CZ TYR A 82 1.638 10.152 -0.167 1.00 0.73 C ATOM 1272 OH TYR A 82 1.793 11.500 -0.234 1.00 0.91 O ATOM 0 H TYR A 82 3.096 5.463 2.537 1.00 0.77 H new ATOM 0 HA TYR A 82 0.259 6.116 2.294 1.00 0.59 H new ATOM 0 HB2 TYR A 82 1.979 5.360 -0.100 1.00 0.58 H new ATOM 0 HB3 TYR A 82 0.236 5.542 -0.095 1.00 0.58 H new ATOM 0 HD1 TYR A 82 -0.815 7.775 0.029 1.00 1.64 H new ATOM 0 HD2 TYR A 82 3.460 7.264 -0.058 1.00 1.77 H new ATOM 0 HE1 TYR A 82 -0.530 10.238 -0.185 1.00 1.65 H new ATOM 0 HE2 TYR A 82 3.767 9.727 -0.163 1.00 1.84 H new ATOM 0 HH TYR A 82 2.748 11.719 -0.253 1.00 0.91 H new ATOM 1282 N HIS A 83 -0.105 3.583 2.350 1.00 0.52 N ATOM 1283 CA HIS A 83 -0.218 2.203 2.797 1.00 0.55 C ATOM 1284 C HIS A 83 -1.621 1.663 2.538 1.00 0.59 C ATOM 1285 O HIS A 83 -2.563 2.436 2.348 1.00 0.63 O ATOM 1286 CB HIS A 83 0.174 2.126 4.285 1.00 0.57 C ATOM 1287 CG HIS A 83 -0.767 2.859 5.211 1.00 0.55 C ATOM 1288 ND1 HIS A 83 -0.711 4.183 5.591 1.00 0.65 N ATOM 1289 CD2 HIS A 83 -1.868 2.313 5.816 1.00 0.59 C ATOM 1290 CE1 HIS A 83 -1.762 4.421 6.394 1.00 0.69 C ATOM 1291 NE2 HIS A 83 -2.483 3.308 6.575 1.00 0.65 N ATOM 0 H HIS A 83 -0.993 4.079 2.278 1.00 0.52 H new ATOM 0 HA HIS A 83 0.465 1.571 2.229 1.00 0.55 H new ATOM 0 HB2 HIS A 83 0.218 1.079 4.584 1.00 0.57 H new ATOM 0 HB3 HIS A 83 1.177 2.534 4.407 1.00 0.57 H new ATOM 0 HD2 HIS A 83 -2.202 1.290 5.722 1.00 0.59 H new ATOM 0 HE1 HIS A 83 -1.993 5.380 6.834 1.00 0.69 H new ATOM 0 HE2 HIS A 83 -3.317 3.208 7.154 1.00 0.65 H new ATOM 1299 N PHE A 84 -1.748 0.340 2.558 1.00 0.63 N ATOM 1300 CA PHE A 84 -3.029 -0.341 2.559 1.00 0.75 C ATOM 1301 C PHE A 84 -3.450 -0.687 3.989 1.00 0.80 C ATOM 1302 O PHE A 84 -2.643 -1.225 4.751 1.00 0.96 O ATOM 1303 CB PHE A 84 -2.921 -1.606 1.709 1.00 0.86 C ATOM 1304 CG PHE A 84 -2.784 -1.370 0.214 1.00 0.86 C ATOM 1305 CD1 PHE A 84 -3.832 -0.758 -0.503 1.00 2.03 C ATOM 1306 CD2 PHE A 84 -1.628 -1.789 -0.473 1.00 2.03 C ATOM 1307 CE1 PHE A 84 -3.743 -0.603 -1.893 1.00 2.10 C ATOM 1308 CE2 PHE A 84 -1.522 -1.590 -1.863 1.00 2.00 C ATOM 1309 CZ PHE A 84 -2.575 -0.984 -2.568 1.00 0.95 C ATOM 0 H PHE A 84 -0.950 -0.294 2.574 1.00 0.63 H new ATOM 0 HA PHE A 84 -3.790 0.315 2.136 1.00 0.75 H new ATOM 0 HB2 PHE A 84 -2.061 -2.182 2.050 1.00 0.86 H new ATOM 0 HB3 PHE A 84 -3.805 -2.219 1.885 1.00 0.86 H new ATOM 0 HD1 PHE A 84 -4.708 -0.407 0.022 1.00 2.03 H new ATOM 0 HD2 PHE A 84 -0.822 -2.263 0.067 1.00 2.03 H new ATOM 0 HE1 PHE A 84 -4.575 -0.190 -2.444 1.00 2.10 H new ATOM 0 HE2 PHE A 84 -0.631 -1.903 -2.387 1.00 2.00 H new ATOM 0 HZ PHE A 84 -2.485 -0.812 -3.630 1.00 0.95 H new ATOM 1319 N MET A 85 -4.719 -0.439 4.316 1.00 0.78 N ATOM 1320 CA MET A 85 -5.432 -1.041 5.449 1.00 0.82 C ATOM 1321 C MET A 85 -6.220 -2.254 4.951 1.00 0.77 C ATOM 1322 O MET A 85 -6.993 -2.127 3.997 1.00 0.85 O ATOM 1323 CB MET A 85 -6.404 -0.019 6.065 1.00 0.93 C ATOM 1324 CG MET A 85 -5.711 1.149 6.785 1.00 0.80 C ATOM 1325 SD MET A 85 -5.261 0.889 8.526 1.00 1.13 S ATOM 1326 CE MET A 85 -3.733 -0.065 8.379 1.00 0.76 C ATOM 0 H MET A 85 -5.300 0.208 3.783 1.00 0.78 H new ATOM 0 HA MET A 85 -4.712 -1.347 6.208 1.00 0.82 H new ATOM 0 HB2 MET A 85 -7.042 0.381 5.277 1.00 0.93 H new ATOM 0 HB3 MET A 85 -7.055 -0.533 6.772 1.00 0.93 H new ATOM 0 HG2 MET A 85 -4.804 1.398 6.234 1.00 0.80 H new ATOM 0 HG3 MET A 85 -6.366 2.018 6.730 1.00 0.80 H new ATOM 0 HE1 MET A 85 -3.073 0.175 9.212 1.00 0.76 H new ATOM 0 HE2 MET A 85 -3.966 -1.130 8.395 1.00 0.76 H new ATOM 0 HE3 MET A 85 -3.238 0.184 7.440 1.00 0.76 H new ATOM 1336 N LEU A 86 -6.037 -3.423 5.574 1.00 0.71 N ATOM 1337 CA LEU A 86 -6.840 -4.619 5.289 1.00 0.71 C ATOM 1338 C LEU A 86 -8.165 -4.571 6.068 1.00 0.72 C ATOM 1339 O LEU A 86 -8.253 -3.940 7.118 1.00 1.38 O ATOM 1340 CB LEU A 86 -6.041 -5.889 5.654 1.00 1.15 C ATOM 1341 CG LEU A 86 -4.917 -6.344 4.687 1.00 1.54 C ATOM 1342 CD1 LEU A 86 -5.541 -7.046 3.480 1.00 2.36 C ATOM 1343 CD2 LEU A 86 -3.958 -5.255 4.182 1.00 1.84 C ATOM 0 H LEU A 86 -5.327 -3.568 6.292 1.00 0.71 H new ATOM 0 HA LEU A 86 -7.070 -4.645 4.224 1.00 0.71 H new ATOM 0 HB2 LEU A 86 -5.594 -5.732 6.636 1.00 1.15 H new ATOM 0 HB3 LEU A 86 -6.749 -6.712 5.754 1.00 1.15 H new ATOM 0 HG LEU A 86 -4.297 -7.007 5.290 1.00 1.54 H new ATOM 0 HD11 LEU A 86 -4.753 -7.367 2.798 1.00 2.36 H new ATOM 0 HD12 LEU A 86 -6.106 -7.915 3.817 1.00 2.36 H new ATOM 0 HD13 LEU A 86 -6.209 -6.357 2.964 1.00 2.36 H new ATOM 0 HD21 LEU A 86 -3.220 -5.701 3.515 1.00 1.84 H new ATOM 0 HD22 LEU A 86 -4.523 -4.495 3.642 1.00 1.84 H new ATOM 0 HD23 LEU A 86 -3.450 -4.796 5.030 1.00 1.84 H new ATOM 1355 N LEU A 87 -9.185 -5.300 5.603 1.00 0.70 N ATOM 1356 CA LEU A 87 -10.472 -5.395 6.299 1.00 0.76 C ATOM 1357 C LEU A 87 -11.071 -6.803 6.178 1.00 0.81 C ATOM 1358 O LEU A 87 -11.974 -7.073 5.381 1.00 1.41 O ATOM 1359 CB LEU A 87 -11.388 -4.234 5.845 1.00 0.85 C ATOM 1360 CG LEU A 87 -11.639 -3.213 6.972 1.00 1.19 C ATOM 1361 CD1 LEU A 87 -12.273 -1.945 6.396 1.00 2.02 C ATOM 1362 CD2 LEU A 87 -12.553 -3.823 8.047 1.00 3.08 C ATOM 0 H LEU A 87 -9.142 -5.838 4.738 1.00 0.70 H new ATOM 0 HA LEU A 87 -10.339 -5.266 7.373 1.00 0.76 H new ATOM 0 HB2 LEU A 87 -10.934 -3.728 4.993 1.00 0.85 H new ATOM 0 HB3 LEU A 87 -12.341 -4.638 5.505 1.00 0.85 H new ATOM 0 HG LEU A 87 -10.686 -2.953 7.432 1.00 1.19 H new ATOM 0 HD11 LEU A 87 -12.447 -1.228 7.199 1.00 2.02 H new ATOM 0 HD12 LEU A 87 -11.602 -1.506 5.657 1.00 2.02 H new ATOM 0 HD13 LEU A 87 -13.222 -2.196 5.921 1.00 2.02 H new ATOM 0 HD21 LEU A 87 -12.723 -3.092 8.838 1.00 3.08 H new ATOM 0 HD22 LEU A 87 -13.507 -4.101 7.599 1.00 3.08 H new ATOM 0 HD23 LEU A 87 -12.078 -4.709 8.468 1.00 3.08 H new ATOM 1374 N GLY A 88 -10.530 -7.708 6.998 1.00 0.83 N ATOM 1375 CA GLY A 88 -10.761 -9.154 6.982 1.00 1.14 C ATOM 1376 C GLY A 88 -9.594 -9.870 6.302 1.00 1.17 C ATOM 1377 O GLY A 88 -9.385 -9.688 5.101 1.00 1.66 O ATOM 0 H GLY A 88 -9.880 -7.434 7.735 1.00 0.83 H new ATOM 0 HA2 GLY A 88 -10.878 -9.522 8.001 1.00 1.14 H new ATOM 0 HA3 GLY A 88 -11.689 -9.375 6.455 1.00 1.14 H new ATOM 1381 N LEU A 89 -8.844 -10.674 7.059 1.00 1.14 N ATOM 1382 CA LEU A 89 -7.648 -11.384 6.590 1.00 1.12 C ATOM 1383 C LEU A 89 -7.988 -12.838 6.250 1.00 1.25 C ATOM 1384 O LEU A 89 -8.551 -13.551 7.078 1.00 1.33 O ATOM 1385 CB LEU A 89 -6.562 -11.332 7.683 1.00 1.18 C ATOM 1386 CG LEU A 89 -6.131 -9.925 8.142 1.00 1.03 C ATOM 1387 CD1 LEU A 89 -5.119 -10.072 9.282 1.00 1.12 C ATOM 1388 CD2 LEU A 89 -5.520 -9.112 6.996 1.00 1.19 C ATOM 0 H LEU A 89 -9.056 -10.855 8.040 1.00 1.14 H new ATOM 0 HA LEU A 89 -7.276 -10.900 5.687 1.00 1.12 H new ATOM 0 HB2 LEU A 89 -6.923 -11.881 8.552 1.00 1.18 H new ATOM 0 HB3 LEU A 89 -5.681 -11.859 7.317 1.00 1.18 H new ATOM 0 HG LEU A 89 -7.014 -9.384 8.483 1.00 1.03 H new ATOM 0 HD11 LEU A 89 -4.804 -9.084 9.618 1.00 1.12 H new ATOM 0 HD12 LEU A 89 -5.581 -10.608 10.112 1.00 1.12 H new ATOM 0 HD13 LEU A 89 -4.251 -10.629 8.929 1.00 1.12 H new ATOM 0 HD21 LEU A 89 -5.230 -8.127 7.363 1.00 1.19 H new ATOM 0 HD22 LEU A 89 -4.641 -9.629 6.611 1.00 1.19 H new ATOM 0 HD23 LEU A 89 -6.254 -9.000 6.198 1.00 1.19 H new ATOM 1400 N LYS A 90 -7.660 -13.293 5.033 1.00 1.35 N ATOM 1401 CA LYS A 90 -7.924 -14.681 4.603 1.00 1.51 C ATOM 1402 C LYS A 90 -6.746 -15.632 4.870 1.00 1.79 C ATOM 1403 O LYS A 90 -6.948 -16.837 5.025 1.00 1.81 O ATOM 1404 CB LYS A 90 -8.317 -14.731 3.117 1.00 1.43 C ATOM 1405 CG LYS A 90 -9.603 -13.956 2.803 1.00 0.93 C ATOM 1406 CD LYS A 90 -10.140 -14.321 1.407 1.00 1.40 C ATOM 1407 CE LYS A 90 -11.471 -13.646 1.049 1.00 1.58 C ATOM 1408 NZ LYS A 90 -12.633 -14.177 1.801 1.00 2.46 N ATOM 0 H LYS A 90 -7.208 -12.719 4.322 1.00 1.35 H new ATOM 0 HA LYS A 90 -8.759 -15.031 5.210 1.00 1.51 H new ATOM 0 HB2 LYS A 90 -7.501 -14.325 2.519 1.00 1.43 H new ATOM 0 HB3 LYS A 90 -8.445 -15.771 2.817 1.00 1.43 H new ATOM 0 HG2 LYS A 90 -10.359 -14.178 3.557 1.00 0.93 H new ATOM 0 HG3 LYS A 90 -9.408 -12.885 2.853 1.00 0.93 H new ATOM 0 HD2 LYS A 90 -9.394 -14.048 0.660 1.00 1.40 H new ATOM 0 HD3 LYS A 90 -10.267 -15.402 1.350 1.00 1.40 H new ATOM 0 HE2 LYS A 90 -11.387 -12.576 1.237 1.00 1.58 H new ATOM 0 HE3 LYS A 90 -11.654 -13.769 -0.018 1.00 1.58 H new ATOM 0 HZ1 LYS A 90 -13.513 -13.827 1.372 1.00 2.46 H new ATOM 0 HZ2 LYS A 90 -12.621 -15.216 1.769 1.00 2.46 H new ATOM 0 HZ3 LYS A 90 -12.581 -13.860 2.790 1.00 2.46 H new ATOM 1422 N ARG A 91 -5.519 -15.103 4.944 1.00 2.14 N ATOM 1423 CA ARG A 91 -4.398 -15.787 5.597 1.00 2.40 C ATOM 1424 C ARG A 91 -4.321 -15.319 7.058 1.00 1.77 C ATOM 1425 O ARG A 91 -4.699 -14.184 7.341 1.00 1.17 O ATOM 1426 CB ARG A 91 -3.075 -15.506 4.860 1.00 2.80 C ATOM 1427 CG ARG A 91 -3.035 -16.068 3.430 1.00 2.95 C ATOM 1428 CD ARG A 91 -3.336 -17.567 3.302 1.00 2.32 C ATOM 1429 NE ARG A 91 -2.407 -18.401 4.077 1.00 2.70 N ATOM 1430 CZ ARG A 91 -2.533 -19.691 4.346 1.00 3.40 C ATOM 1431 NH1 ARG A 91 -3.604 -20.391 4.021 1.00 4.11 N ATOM 1432 NH2 ARG A 91 -1.535 -20.274 4.962 1.00 4.45 N ATOM 0 H ARG A 91 -5.276 -14.192 4.554 1.00 2.14 H new ATOM 0 HA ARG A 91 -4.561 -16.864 5.566 1.00 2.40 H new ATOM 0 HB2 ARG A 91 -2.911 -14.429 4.823 1.00 2.80 H new ATOM 0 HB3 ARG A 91 -2.252 -15.934 5.433 1.00 2.80 H new ATOM 0 HG2 ARG A 91 -3.753 -15.518 2.822 1.00 2.95 H new ATOM 0 HG3 ARG A 91 -2.048 -15.876 3.010 1.00 2.95 H new ATOM 0 HD2 ARG A 91 -4.355 -17.758 3.637 1.00 2.32 H new ATOM 0 HD3 ARG A 91 -3.286 -17.855 2.252 1.00 2.32 H new ATOM 0 HE ARG A 91 -1.577 -17.937 4.447 1.00 2.70 H new ATOM 0 HH11 ARG A 91 -4.382 -19.939 3.541 1.00 4.11 H new ATOM 0 HH12 ARG A 91 -3.653 -21.384 4.250 1.00 4.11 H new ATOM 0 HH21 ARG A 91 -0.706 -19.735 5.213 1.00 4.45 H new ATOM 0 HH22 ARG A 91 -1.587 -21.267 5.190 1.00 4.45 H new ATOM 1446 N PRO A 92 -3.811 -16.152 7.985 1.00 2.17 N ATOM 1447 CA PRO A 92 -3.645 -15.764 9.388 1.00 1.70 C ATOM 1448 C PRO A 92 -2.497 -14.799 9.669 1.00 1.11 C ATOM 1449 O PRO A 92 -2.383 -14.230 10.748 1.00 2.70 O ATOM 1450 CB PRO A 92 -3.433 -17.080 10.128 1.00 2.53 C ATOM 1451 CG PRO A 92 -2.742 -17.967 9.091 1.00 3.16 C ATOM 1452 CD PRO A 92 -3.385 -17.530 7.777 1.00 3.24 C ATOM 0 HA PRO A 92 -4.523 -15.205 9.713 1.00 1.70 H new ATOM 0 HB2 PRO A 92 -2.816 -16.946 11.016 1.00 2.53 H new ATOM 0 HB3 PRO A 92 -4.378 -17.511 10.459 1.00 2.53 H new ATOM 0 HG2 PRO A 92 -1.663 -17.812 9.083 1.00 3.16 H new ATOM 0 HG3 PRO A 92 -2.910 -19.025 9.290 1.00 3.16 H new ATOM 0 HD2 PRO A 92 -2.676 -17.600 6.952 1.00 3.24 H new ATOM 0 HD3 PRO A 92 -4.232 -18.168 7.525 1.00 3.24 H new ATOM 1460 N LEU A 93 -1.658 -14.711 8.656 1.00 1.67 N ATOM 1461 CA LEU A 93 -0.428 -13.943 8.496 1.00 1.26 C ATOM 1462 C LEU A 93 0.649 -14.461 9.445 1.00 1.30 C ATOM 1463 O LEU A 93 0.648 -14.167 10.635 1.00 1.54 O ATOM 1464 CB LEU A 93 -0.654 -12.427 8.679 1.00 1.28 C ATOM 1465 CG LEU A 93 -1.720 -11.782 7.773 1.00 1.48 C ATOM 1466 CD1 LEU A 93 -1.720 -10.271 8.037 1.00 2.50 C ATOM 1467 CD2 LEU A 93 -1.464 -12.036 6.281 1.00 2.08 C ATOM 0 H LEU A 93 -1.845 -15.248 7.809 1.00 1.67 H new ATOM 0 HA LEU A 93 -0.086 -14.083 7.471 1.00 1.26 H new ATOM 0 HB2 LEU A 93 -0.932 -12.245 9.717 1.00 1.28 H new ATOM 0 HB3 LEU A 93 0.294 -11.917 8.509 1.00 1.28 H new ATOM 0 HG LEU A 93 -2.684 -12.232 8.011 1.00 1.48 H new ATOM 0 HD11 LEU A 93 -2.468 -9.791 7.406 1.00 2.50 H new ATOM 0 HD12 LEU A 93 -1.956 -10.085 9.085 1.00 2.50 H new ATOM 0 HD13 LEU A 93 -0.736 -9.862 7.808 1.00 2.50 H new ATOM 0 HD21 LEU A 93 -2.246 -11.558 5.691 1.00 2.08 H new ATOM 0 HD22 LEU A 93 -0.495 -11.621 6.002 1.00 2.08 H new ATOM 0 HD23 LEU A 93 -1.468 -13.109 6.089 1.00 2.08 H new ATOM 1479 N LYS A 94 1.595 -15.234 8.924 1.00 1.36 N ATOM 1480 CA LYS A 94 2.882 -15.499 9.572 1.00 1.56 C ATOM 1481 C LYS A 94 3.993 -14.740 8.844 1.00 1.53 C ATOM 1482 O LYS A 94 4.001 -14.655 7.614 1.00 1.92 O ATOM 1483 CB LYS A 94 3.171 -17.017 9.602 1.00 1.94 C ATOM 1484 CG LYS A 94 2.672 -17.742 10.861 1.00 2.16 C ATOM 1485 CD LYS A 94 1.196 -17.459 11.154 1.00 2.98 C ATOM 1486 CE LYS A 94 0.658 -18.322 12.294 1.00 4.49 C ATOM 1487 NZ LYS A 94 -0.746 -17.956 12.594 1.00 6.23 N ATOM 0 H LYS A 94 1.491 -15.704 8.025 1.00 1.36 H new ATOM 0 HA LYS A 94 2.842 -15.149 10.603 1.00 1.56 H new ATOM 0 HB2 LYS A 94 2.711 -17.478 8.728 1.00 1.94 H new ATOM 0 HB3 LYS A 94 4.247 -17.170 9.514 1.00 1.94 H new ATOM 0 HG2 LYS A 94 2.816 -18.816 10.739 1.00 2.16 H new ATOM 0 HG3 LYS A 94 3.274 -17.435 11.716 1.00 2.16 H new ATOM 0 HD2 LYS A 94 1.073 -16.406 11.408 1.00 2.98 H new ATOM 0 HD3 LYS A 94 0.608 -17.640 10.255 1.00 2.98 H new ATOM 0 HE2 LYS A 94 0.716 -19.376 12.021 1.00 4.49 H new ATOM 0 HE3 LYS A 94 1.274 -18.188 13.183 1.00 4.49 H new ATOM 0 HZ1 LYS A 94 -1.025 -18.368 13.507 1.00 6.23 H new ATOM 0 HZ2 LYS A 94 -0.832 -16.921 12.641 1.00 6.23 H new ATOM 0 HZ3 LYS A 94 -1.368 -18.322 11.845 1.00 6.23 H new ATOM 1501 N ALA A 95 4.956 -14.246 9.623 1.00 1.47 N ATOM 1502 CA ALA A 95 6.279 -13.892 9.124 1.00 1.48 C ATOM 1503 C ALA A 95 6.802 -15.009 8.212 1.00 1.44 C ATOM 1504 O ALA A 95 6.792 -16.176 8.610 1.00 1.52 O ATOM 1505 CB ALA A 95 7.195 -13.684 10.338 1.00 1.63 C ATOM 0 H ALA A 95 4.836 -14.081 10.622 1.00 1.47 H new ATOM 0 HA ALA A 95 6.246 -12.976 8.534 1.00 1.48 H new ATOM 0 HB1 ALA A 95 8.195 -13.417 9.997 1.00 1.63 H new ATOM 0 HB2 ALA A 95 6.798 -12.882 10.960 1.00 1.63 H new ATOM 0 HB3 ALA A 95 7.243 -14.605 10.919 1.00 1.63 H new ATOM 1511 N GLY A 96 7.160 -14.665 6.974 1.00 1.47 N ATOM 1512 CA GLY A 96 7.612 -15.622 5.961 1.00 1.62 C ATOM 1513 C GLY A 96 6.520 -16.278 5.106 1.00 1.57 C ATOM 1514 O GLY A 96 6.878 -17.101 4.267 1.00 2.17 O ATOM 0 H GLY A 96 7.144 -13.701 6.641 1.00 1.47 H new ATOM 0 HA2 GLY A 96 8.307 -15.111 5.294 1.00 1.62 H new ATOM 0 HA3 GLY A 96 8.173 -16.411 6.462 1.00 1.62 H new ATOM 1518 N GLU A 97 5.229 -15.936 5.246 1.00 1.16 N ATOM 1519 CA GLU A 97 4.249 -16.264 4.196 1.00 1.18 C ATOM 1520 C GLU A 97 4.452 -15.336 2.988 1.00 1.10 C ATOM 1521 O GLU A 97 5.052 -14.265 3.095 1.00 1.13 O ATOM 1522 CB GLU A 97 2.784 -16.209 4.687 1.00 1.34 C ATOM 1523 CG GLU A 97 2.384 -17.383 5.588 1.00 1.64 C ATOM 1524 CD GLU A 97 0.876 -17.400 5.872 1.00 1.68 C ATOM 1525 OE1 GLU A 97 0.418 -16.679 6.786 1.00 2.42 O ATOM 1526 OE2 GLU A 97 0.134 -18.139 5.186 1.00 2.55 O ATOM 0 H GLU A 97 4.846 -15.445 6.054 1.00 1.16 H new ATOM 0 HA GLU A 97 4.429 -17.298 3.903 1.00 1.18 H new ATOM 0 HB2 GLU A 97 2.629 -15.277 5.231 1.00 1.34 H new ATOM 0 HB3 GLU A 97 2.122 -16.187 3.821 1.00 1.34 H new ATOM 0 HG2 GLU A 97 2.674 -18.320 5.113 1.00 1.64 H new ATOM 0 HG3 GLU A 97 2.930 -17.320 6.529 1.00 1.64 H new ATOM 1533 N GLU A 98 3.921 -15.739 1.838 1.00 1.18 N ATOM 1534 CA GLU A 98 3.981 -15.000 0.574 1.00 1.22 C ATOM 1535 C GLU A 98 2.630 -14.348 0.254 1.00 1.06 C ATOM 1536 O GLU A 98 1.578 -14.803 0.704 1.00 1.17 O ATOM 1537 CB GLU A 98 4.407 -15.937 -0.566 1.00 1.63 C ATOM 1538 CG GLU A 98 5.837 -16.453 -0.382 1.00 2.03 C ATOM 1539 CD GLU A 98 6.230 -17.304 -1.583 1.00 2.94 C ATOM 1540 OE1 GLU A 98 5.845 -18.495 -1.581 1.00 3.81 O ATOM 1541 OE2 GLU A 98 6.863 -16.734 -2.498 1.00 3.64 O ATOM 0 H GLU A 98 3.417 -16.622 1.754 1.00 1.18 H new ATOM 0 HA GLU A 98 4.722 -14.207 0.676 1.00 1.22 H new ATOM 0 HB2 GLU A 98 3.720 -16.782 -0.616 1.00 1.63 H new ATOM 0 HB3 GLU A 98 4.332 -15.409 -1.516 1.00 1.63 H new ATOM 0 HG2 GLU A 98 6.526 -15.615 -0.276 1.00 2.03 H new ATOM 0 HG3 GLU A 98 5.907 -17.042 0.533 1.00 2.03 H new ATOM 1548 N VAL A 99 2.668 -13.275 -0.532 1.00 1.24 N ATOM 1549 CA VAL A 99 1.522 -12.440 -0.909 1.00 1.14 C ATOM 1550 C VAL A 99 1.556 -12.219 -2.412 1.00 1.17 C ATOM 1551 O VAL A 99 2.396 -11.471 -2.903 1.00 1.34 O ATOM 1552 CB VAL A 99 1.587 -11.053 -0.225 1.00 1.42 C ATOM 1553 CG1 VAL A 99 0.420 -10.135 -0.652 1.00 1.37 C ATOM 1554 CG2 VAL A 99 1.638 -11.192 1.301 1.00 1.61 C ATOM 0 H VAL A 99 3.540 -12.945 -0.946 1.00 1.24 H new ATOM 0 HA VAL A 99 0.611 -12.949 -0.596 1.00 1.14 H new ATOM 0 HB VAL A 99 2.510 -10.579 -0.560 1.00 1.42 H new ATOM 0 HG11 VAL A 99 0.509 -9.174 -0.146 1.00 1.37 H new ATOM 0 HG12 VAL A 99 0.454 -9.982 -1.731 1.00 1.37 H new ATOM 0 HG13 VAL A 99 -0.527 -10.601 -0.381 1.00 1.37 H new ATOM 0 HG21 VAL A 99 1.683 -10.202 1.755 1.00 1.61 H new ATOM 0 HG22 VAL A 99 0.745 -11.711 1.649 1.00 1.61 H new ATOM 0 HG23 VAL A 99 2.522 -11.762 1.585 1.00 1.61 H new ATOM 1564 N GLU A 100 0.580 -12.784 -3.122 1.00 1.08 N ATOM 1565 CA GLU A 100 0.184 -12.252 -4.428 1.00 1.06 C ATOM 1566 C GLU A 100 -0.610 -10.959 -4.226 1.00 0.89 C ATOM 1567 O GLU A 100 -1.433 -10.852 -3.310 1.00 0.90 O ATOM 1568 CB GLU A 100 -0.676 -13.247 -5.226 1.00 1.24 C ATOM 1569 CG GLU A 100 0.136 -14.359 -5.909 1.00 1.47 C ATOM 1570 CD GLU A 100 -0.219 -14.447 -7.394 1.00 2.21 C ATOM 1571 OE1 GLU A 100 -1.327 -14.921 -7.743 1.00 2.81 O ATOM 1572 OE2 GLU A 100 0.573 -13.977 -8.239 1.00 3.13 O ATOM 0 H GLU A 100 0.052 -13.603 -2.820 1.00 1.08 H new ATOM 0 HA GLU A 100 1.095 -12.066 -4.997 1.00 1.06 H new ATOM 0 HB2 GLU A 100 -1.405 -13.702 -4.556 1.00 1.24 H new ATOM 0 HB3 GLU A 100 -1.237 -12.701 -5.985 1.00 1.24 H new ATOM 0 HG2 GLU A 100 1.202 -14.161 -5.795 1.00 1.47 H new ATOM 0 HG3 GLU A 100 -0.065 -15.314 -5.424 1.00 1.47 H new ATOM 1579 N LEU A 101 -0.393 -9.991 -5.118 1.00 0.93 N ATOM 1580 CA LEU A 101 -1.118 -8.720 -5.148 1.00 0.86 C ATOM 1581 C LEU A 101 -1.296 -8.213 -6.585 1.00 0.89 C ATOM 1582 O LEU A 101 -0.332 -7.897 -7.283 1.00 1.00 O ATOM 1583 CB LEU A 101 -0.399 -7.689 -4.257 1.00 1.01 C ATOM 1584 CG LEU A 101 -1.030 -7.530 -2.867 1.00 1.05 C ATOM 1585 CD1 LEU A 101 -0.044 -6.889 -1.902 1.00 1.55 C ATOM 1586 CD2 LEU A 101 -2.270 -6.624 -2.911 1.00 1.31 C ATOM 0 H LEU A 101 0.307 -10.071 -5.856 1.00 0.93 H new ATOM 0 HA LEU A 101 -2.120 -8.875 -4.748 1.00 0.86 H new ATOM 0 HB2 LEU A 101 0.643 -7.986 -4.142 1.00 1.01 H new ATOM 0 HB3 LEU A 101 -0.401 -6.722 -4.760 1.00 1.01 H new ATOM 0 HG LEU A 101 -1.308 -8.531 -2.536 1.00 1.05 H new ATOM 0 HD11 LEU A 101 -0.510 -6.785 -0.922 1.00 1.55 H new ATOM 0 HD12 LEU A 101 0.843 -7.517 -1.817 1.00 1.55 H new ATOM 0 HD13 LEU A 101 0.242 -5.905 -2.274 1.00 1.55 H new ATOM 0 HD21 LEU A 101 -2.691 -6.534 -1.909 1.00 1.31 H new ATOM 0 HD22 LEU A 101 -1.986 -5.637 -3.276 1.00 1.31 H new ATOM 0 HD23 LEU A 101 -3.014 -7.058 -3.579 1.00 1.31 H new ATOM 1598 N ASP A 102 -2.560 -8.120 -6.976 1.00 0.85 N ATOM 1599 CA ASP A 102 -3.121 -7.517 -8.182 1.00 0.89 C ATOM 1600 C ASP A 102 -3.317 -6.008 -7.950 1.00 0.85 C ATOM 1601 O ASP A 102 -4.342 -5.554 -7.434 1.00 0.91 O ATOM 1602 CB ASP A 102 -4.489 -8.166 -8.477 1.00 0.93 C ATOM 1603 CG ASP A 102 -4.509 -9.667 -8.774 1.00 1.21 C ATOM 1604 OD1 ASP A 102 -4.012 -10.480 -7.968 1.00 1.99 O ATOM 1605 OD2 ASP A 102 -5.217 -10.045 -9.734 1.00 2.15 O ATOM 0 H ASP A 102 -3.301 -8.508 -6.392 1.00 0.85 H new ATOM 0 HA ASP A 102 -2.446 -7.674 -9.023 1.00 0.89 H new ATOM 0 HB2 ASP A 102 -5.139 -7.984 -7.622 1.00 0.93 H new ATOM 0 HB3 ASP A 102 -4.930 -7.649 -9.329 1.00 0.93 H new ATOM 1610 N LEU A 103 -2.318 -5.210 -8.312 1.00 0.79 N ATOM 1611 CA LEU A 103 -2.334 -3.751 -8.183 1.00 0.73 C ATOM 1612 C LEU A 103 -3.220 -3.144 -9.282 1.00 0.69 C ATOM 1613 O LEU A 103 -2.993 -3.421 -10.457 1.00 0.75 O ATOM 1614 CB LEU A 103 -0.886 -3.239 -8.268 1.00 0.74 C ATOM 1615 CG LEU A 103 0.118 -3.931 -7.321 1.00 0.95 C ATOM 1616 CD1 LEU A 103 1.493 -3.281 -7.512 1.00 1.09 C ATOM 1617 CD2 LEU A 103 -0.307 -3.853 -5.848 1.00 1.36 C ATOM 0 H LEU A 103 -1.451 -5.566 -8.714 1.00 0.79 H new ATOM 0 HA LEU A 103 -2.754 -3.451 -7.223 1.00 0.73 H new ATOM 0 HB2 LEU A 103 -0.535 -3.360 -9.293 1.00 0.74 H new ATOM 0 HB3 LEU A 103 -0.883 -2.170 -8.054 1.00 0.74 H new ATOM 0 HG LEU A 103 0.153 -4.990 -7.575 1.00 0.95 H new ATOM 0 HD11 LEU A 103 2.216 -3.758 -6.850 1.00 1.09 H new ATOM 0 HD12 LEU A 103 1.813 -3.403 -8.547 1.00 1.09 H new ATOM 0 HD13 LEU A 103 1.429 -2.219 -7.275 1.00 1.09 H new ATOM 0 HD21 LEU A 103 0.435 -4.356 -5.228 1.00 1.36 H new ATOM 0 HD22 LEU A 103 -0.384 -2.808 -5.546 1.00 1.36 H new ATOM 0 HD23 LEU A 103 -1.274 -4.340 -5.722 1.00 1.36 H new ATOM 1629 N LEU A 104 -4.220 -2.328 -8.922 1.00 0.64 N ATOM 1630 CA LEU A 104 -5.273 -1.838 -9.826 1.00 0.66 C ATOM 1631 C LEU A 104 -4.941 -0.440 -10.359 1.00 0.68 C ATOM 1632 O LEU A 104 -4.648 0.474 -9.581 1.00 0.57 O ATOM 1633 CB LEU A 104 -6.643 -1.769 -9.113 1.00 0.65 C ATOM 1634 CG LEU A 104 -7.086 -2.993 -8.298 1.00 0.67 C ATOM 1635 CD1 LEU A 104 -8.476 -2.742 -7.697 1.00 0.69 C ATOM 1636 CD2 LEU A 104 -7.088 -4.294 -9.111 1.00 0.74 C ATOM 0 H LEU A 104 -4.323 -1.980 -7.969 1.00 0.64 H new ATOM 0 HA LEU A 104 -5.325 -2.547 -10.653 1.00 0.66 H new ATOM 0 HB2 LEU A 104 -6.630 -0.908 -8.445 1.00 0.65 H new ATOM 0 HB3 LEU A 104 -7.405 -1.575 -9.868 1.00 0.65 H new ATOM 0 HG LEU A 104 -6.352 -3.127 -7.504 1.00 0.67 H new ATOM 0 HD11 LEU A 104 -8.786 -3.613 -7.120 1.00 0.69 H new ATOM 0 HD12 LEU A 104 -8.438 -1.869 -7.045 1.00 0.69 H new ATOM 0 HD13 LEU A 104 -9.193 -2.565 -8.499 1.00 0.69 H new ATOM 0 HD21 LEU A 104 -7.410 -5.119 -8.476 1.00 0.74 H new ATOM 0 HD22 LEU A 104 -7.772 -4.195 -9.954 1.00 0.74 H new ATOM 0 HD23 LEU A 104 -6.082 -4.493 -9.482 1.00 0.74 H new ATOM 1648 N PHE A 105 -5.068 -0.238 -11.671 1.00 0.84 N ATOM 1649 CA PHE A 105 -4.679 1.016 -12.324 1.00 0.84 C ATOM 1650 C PHE A 105 -5.765 1.558 -13.267 1.00 0.89 C ATOM 1651 O PHE A 105 -6.455 0.814 -13.967 1.00 1.15 O ATOM 1652 CB PHE A 105 -3.390 0.764 -13.107 1.00 0.89 C ATOM 1653 CG PHE A 105 -2.123 0.586 -12.304 1.00 0.84 C ATOM 1654 CD1 PHE A 105 -1.731 -0.702 -11.902 1.00 2.01 C ATOM 1655 CD2 PHE A 105 -1.280 1.683 -12.070 1.00 2.11 C ATOM 1656 CE1 PHE A 105 -0.494 -0.893 -11.264 1.00 1.94 C ATOM 1657 CE2 PHE A 105 -0.038 1.494 -11.445 1.00 2.20 C ATOM 1658 CZ PHE A 105 0.355 0.207 -11.035 1.00 0.89 C ATOM 0 H PHE A 105 -5.443 -0.937 -12.312 1.00 0.84 H new ATOM 0 HA PHE A 105 -4.533 1.772 -11.553 1.00 0.84 H new ATOM 0 HB2 PHE A 105 -3.533 -0.128 -13.716 1.00 0.89 H new ATOM 0 HB3 PHE A 105 -3.242 1.598 -13.793 1.00 0.89 H new ATOM 0 HD1 PHE A 105 -2.381 -1.545 -12.084 1.00 2.01 H new ATOM 0 HD2 PHE A 105 -1.587 2.674 -12.371 1.00 2.11 H new ATOM 0 HE1 PHE A 105 -0.195 -1.882 -10.950 1.00 1.94 H new ATOM 0 HE2 PHE A 105 0.616 2.337 -11.279 1.00 2.20 H new ATOM 0 HZ PHE A 105 1.307 0.063 -10.545 1.00 0.89 H new ATOM 1668 N ALA A 106 -5.858 2.888 -13.351 1.00 0.75 N ATOM 1669 CA ALA A 106 -6.693 3.565 -14.345 1.00 0.78 C ATOM 1670 C ALA A 106 -6.173 3.338 -15.784 1.00 1.48 C ATOM 1671 O ALA A 106 -5.039 2.908 -15.993 1.00 2.23 O ATOM 1672 CB ALA A 106 -6.795 5.055 -13.991 1.00 1.55 C ATOM 0 H ALA A 106 -5.357 3.525 -12.732 1.00 0.75 H new ATOM 0 HA ALA A 106 -7.694 3.134 -14.320 1.00 0.78 H new ATOM 0 HB1 ALA A 106 -7.416 5.563 -14.729 1.00 1.55 H new ATOM 0 HB2 ALA A 106 -7.243 5.164 -13.003 1.00 1.55 H new ATOM 0 HB3 ALA A 106 -5.799 5.498 -13.989 1.00 1.55 H new ATOM 1678 N GLY A 107 -7.003 3.639 -16.791 1.00 2.81 N ATOM 1679 CA GLY A 107 -6.643 3.449 -18.206 1.00 3.95 C ATOM 1680 C GLY A 107 -6.689 1.983 -18.651 1.00 3.44 C ATOM 1681 O GLY A 107 -5.942 1.593 -19.550 1.00 4.68 O ATOM 0 H GLY A 107 -7.939 4.019 -16.651 1.00 2.81 H new ATOM 0 HA2 GLY A 107 -7.322 4.032 -18.828 1.00 3.95 H new ATOM 0 HA3 GLY A 107 -5.640 3.842 -18.375 1.00 3.95 H new ATOM 1685 N GLY A 108 -7.514 1.163 -17.986 1.00 1.96 N ATOM 1686 CA GLY A 108 -7.741 -0.247 -18.319 1.00 1.69 C ATOM 1687 C GLY A 108 -6.516 -1.099 -18.012 1.00 1.51 C ATOM 1688 O GLY A 108 -5.884 -1.617 -18.937 1.00 1.92 O ATOM 0 H GLY A 108 -8.056 1.472 -17.179 1.00 1.96 H new ATOM 0 HA2 GLY A 108 -8.596 -0.621 -17.756 1.00 1.69 H new ATOM 0 HA3 GLY A 108 -7.992 -0.336 -19.376 1.00 1.69 H new ATOM 1692 N LYS A 109 -6.123 -1.180 -16.737 1.00 1.25 N ATOM 1693 CA LYS A 109 -4.891 -1.794 -16.296 1.00 1.22 C ATOM 1694 C LYS A 109 -5.015 -2.471 -14.923 1.00 1.18 C ATOM 1695 O LYS A 109 -5.858 -2.150 -14.091 1.00 1.51 O ATOM 1696 CB LYS A 109 -3.861 -0.671 -16.175 1.00 1.36 C ATOM 1697 CG LYS A 109 -3.359 -0.015 -17.446 1.00 2.13 C ATOM 1698 CD LYS A 109 -2.662 -0.935 -18.451 1.00 2.11 C ATOM 1699 CE LYS A 109 -2.536 -0.216 -19.799 1.00 3.37 C ATOM 1700 NZ LYS A 109 -3.853 -0.121 -20.493 1.00 4.29 N ATOM 0 H LYS A 109 -6.679 -0.805 -15.968 1.00 1.25 H new ATOM 0 HA LYS A 109 -4.613 -2.566 -17.013 1.00 1.22 H new ATOM 0 HB2 LYS A 109 -4.292 0.109 -15.547 1.00 1.36 H new ATOM 0 HB3 LYS A 109 -2.997 -1.069 -15.643 1.00 1.36 H new ATOM 0 HG2 LYS A 109 -4.205 0.459 -17.944 1.00 2.13 H new ATOM 0 HG3 LYS A 109 -2.666 0.780 -17.171 1.00 2.13 H new ATOM 0 HD2 LYS A 109 -1.675 -1.214 -18.082 1.00 2.11 H new ATOM 0 HD3 LYS A 109 -3.230 -1.858 -18.570 1.00 2.11 H new ATOM 0 HE2 LYS A 109 -2.133 0.785 -19.643 1.00 3.37 H new ATOM 0 HE3 LYS A 109 -1.827 -0.750 -20.432 1.00 3.37 H new ATOM 0 HZ1 LYS A 109 -3.704 -0.121 -21.522 1.00 4.29 H new ATOM 0 HZ2 LYS A 109 -4.444 -0.935 -20.228 1.00 4.29 H new ATOM 0 HZ3 LYS A 109 -4.330 0.759 -20.213 1.00 4.29 H new ATOM 1714 N VAL A 110 -4.054 -3.349 -14.689 1.00 1.06 N ATOM 1715 CA VAL A 110 -3.825 -4.170 -13.504 1.00 0.97 C ATOM 1716 C VAL A 110 -2.471 -4.862 -13.659 1.00 1.08 C ATOM 1717 O VAL A 110 -2.078 -5.154 -14.790 1.00 1.36 O ATOM 1718 CB VAL A 110 -4.975 -5.173 -13.280 1.00 0.99 C ATOM 1719 CG1 VAL A 110 -5.140 -6.169 -14.438 1.00 1.03 C ATOM 1720 CG2 VAL A 110 -4.869 -5.931 -11.945 1.00 1.04 C ATOM 0 H VAL A 110 -3.340 -3.525 -15.395 1.00 1.06 H new ATOM 0 HA VAL A 110 -3.806 -3.543 -12.613 1.00 0.97 H new ATOM 0 HB VAL A 110 -5.870 -4.552 -13.240 1.00 0.99 H new ATOM 0 HG11 VAL A 110 -5.965 -6.847 -14.220 1.00 1.03 H new ATOM 0 HG12 VAL A 110 -5.351 -5.625 -15.359 1.00 1.03 H new ATOM 0 HG13 VAL A 110 -4.221 -6.742 -14.558 1.00 1.03 H new ATOM 0 HG21 VAL A 110 -5.708 -6.620 -11.850 1.00 1.04 H new ATOM 0 HG22 VAL A 110 -3.935 -6.492 -11.918 1.00 1.04 H new ATOM 0 HG23 VAL A 110 -4.889 -5.219 -11.120 1.00 1.04 H new ATOM 1730 N LEU A 111 -1.746 -5.084 -12.561 1.00 0.94 N ATOM 1731 CA LEU A 111 -0.438 -5.740 -12.547 1.00 1.00 C ATOM 1732 C LEU A 111 -0.353 -6.665 -11.334 1.00 1.04 C ATOM 1733 O LEU A 111 -0.498 -6.202 -10.207 1.00 1.12 O ATOM 1734 CB LEU A 111 0.677 -4.670 -12.480 1.00 1.03 C ATOM 1735 CG LEU A 111 0.874 -3.806 -13.743 1.00 1.22 C ATOM 1736 CD1 LEU A 111 1.950 -2.742 -13.480 1.00 1.73 C ATOM 1737 CD2 LEU A 111 1.301 -4.641 -14.961 1.00 1.50 C ATOM 0 H LEU A 111 -2.061 -4.805 -11.632 1.00 0.94 H new ATOM 0 HA LEU A 111 -0.309 -6.327 -13.456 1.00 1.00 H new ATOM 0 HB2 LEU A 111 0.464 -4.007 -11.642 1.00 1.03 H new ATOM 0 HB3 LEU A 111 1.619 -5.171 -12.258 1.00 1.03 H new ATOM 0 HG LEU A 111 -0.087 -3.342 -13.966 1.00 1.22 H new ATOM 0 HD11 LEU A 111 2.086 -2.134 -14.374 1.00 1.73 H new ATOM 0 HD12 LEU A 111 1.638 -2.105 -12.652 1.00 1.73 H new ATOM 0 HD13 LEU A 111 2.891 -3.231 -13.227 1.00 1.73 H new ATOM 0 HD21 LEU A 111 1.427 -3.987 -15.824 1.00 1.50 H new ATOM 0 HD22 LEU A 111 2.244 -5.143 -14.745 1.00 1.50 H new ATOM 0 HD23 LEU A 111 0.535 -5.386 -15.178 1.00 1.50 H new ATOM 1749 N LYS A 112 -0.076 -7.958 -11.535 1.00 1.15 N ATOM 1750 CA LYS A 112 0.275 -8.833 -10.410 1.00 1.19 C ATOM 1751 C LYS A 112 1.756 -8.682 -10.023 1.00 1.27 C ATOM 1752 O LYS A 112 2.634 -8.854 -10.867 1.00 1.55 O ATOM 1753 CB LYS A 112 -0.083 -10.301 -10.688 1.00 1.37 C ATOM 1754 CG LYS A 112 -1.601 -10.550 -10.599 1.00 2.39 C ATOM 1755 CD LYS A 112 -1.919 -11.963 -10.089 1.00 1.98 C ATOM 1756 CE LYS A 112 -1.452 -13.053 -11.060 1.00 2.18 C ATOM 1757 NZ LYS A 112 -1.075 -14.284 -10.331 1.00 2.50 N ATOM 0 H LYS A 112 -0.087 -8.415 -12.447 1.00 1.15 H new ATOM 0 HA LYS A 112 -0.326 -8.513 -9.558 1.00 1.19 H new ATOM 0 HB2 LYS A 112 0.273 -10.580 -11.680 1.00 1.37 H new ATOM 0 HB3 LYS A 112 0.432 -10.942 -9.973 1.00 1.37 H new ATOM 0 HG2 LYS A 112 -2.052 -9.814 -9.934 1.00 2.39 H new ATOM 0 HG3 LYS A 112 -2.051 -10.409 -11.582 1.00 2.39 H new ATOM 0 HD2 LYS A 112 -1.441 -12.113 -9.121 1.00 1.98 H new ATOM 0 HD3 LYS A 112 -2.994 -12.056 -9.932 1.00 1.98 H new ATOM 0 HE2 LYS A 112 -2.247 -13.276 -11.772 1.00 2.18 H new ATOM 0 HE3 LYS A 112 -0.600 -12.692 -11.636 1.00 2.18 H new ATOM 0 HZ1 LYS A 112 -1.008 -15.077 -11.000 1.00 2.50 H new ATOM 0 HZ2 LYS A 112 -0.155 -14.144 -9.867 1.00 2.50 H new ATOM 0 HZ3 LYS A 112 -1.796 -14.497 -9.613 1.00 2.50 H new ATOM 1771 N VAL A 113 2.014 -8.416 -8.744 1.00 1.13 N ATOM 1772 CA VAL A 113 3.340 -8.471 -8.100 1.00 1.20 C ATOM 1773 C VAL A 113 3.275 -9.481 -6.941 1.00 1.16 C ATOM 1774 O VAL A 113 2.187 -9.892 -6.536 1.00 1.17 O ATOM 1775 CB VAL A 113 3.800 -7.068 -7.620 1.00 1.26 C ATOM 1776 CG1 VAL A 113 5.301 -7.016 -7.267 1.00 1.72 C ATOM 1777 CG2 VAL A 113 3.543 -5.975 -8.679 1.00 3.12 C ATOM 0 H VAL A 113 1.277 -8.144 -8.093 1.00 1.13 H new ATOM 0 HA VAL A 113 4.086 -8.800 -8.824 1.00 1.20 H new ATOM 0 HB VAL A 113 3.205 -6.879 -6.726 1.00 1.26 H new ATOM 0 HG11 VAL A 113 5.563 -6.010 -6.938 1.00 1.72 H new ATOM 0 HG12 VAL A 113 5.511 -7.726 -6.467 1.00 1.72 H new ATOM 0 HG13 VAL A 113 5.891 -7.275 -8.146 1.00 1.72 H new ATOM 0 HG21 VAL A 113 3.881 -5.012 -8.297 1.00 3.12 H new ATOM 0 HG22 VAL A 113 4.090 -6.216 -9.591 1.00 3.12 H new ATOM 0 HG23 VAL A 113 2.476 -5.924 -8.898 1.00 3.12 H new ATOM 1787 N VAL A 114 4.439 -9.879 -6.422 1.00 1.20 N ATOM 1788 CA VAL A 114 4.593 -10.815 -5.299 1.00 1.24 C ATOM 1789 C VAL A 114 5.581 -10.265 -4.265 1.00 1.28 C ATOM 1790 O VAL A 114 6.668 -9.808 -4.621 1.00 1.47 O ATOM 1791 CB VAL A 114 4.968 -12.243 -5.767 1.00 1.51 C ATOM 1792 CG1 VAL A 114 6.287 -12.299 -6.563 1.00 2.01 C ATOM 1793 CG2 VAL A 114 5.030 -13.223 -4.584 1.00 1.85 C ATOM 0 H VAL A 114 5.334 -9.548 -6.783 1.00 1.20 H new ATOM 0 HA VAL A 114 3.622 -10.907 -4.813 1.00 1.24 H new ATOM 0 HB VAL A 114 4.170 -12.546 -6.445 1.00 1.51 H new ATOM 0 HG11 VAL A 114 6.489 -13.328 -6.860 1.00 2.01 H new ATOM 0 HG12 VAL A 114 6.202 -11.675 -7.453 1.00 2.01 H new ATOM 0 HG13 VAL A 114 7.104 -11.934 -5.940 1.00 2.01 H new ATOM 0 HG21 VAL A 114 5.296 -14.216 -4.947 1.00 1.85 H new ATOM 0 HG22 VAL A 114 5.781 -12.885 -3.870 1.00 1.85 H new ATOM 0 HG23 VAL A 114 4.057 -13.264 -4.094 1.00 1.85 H new ATOM 1803 N LEU A 115 5.167 -10.276 -2.992 1.00 1.20 N ATOM 1804 CA LEU A 115 5.874 -9.755 -1.807 1.00 1.24 C ATOM 1805 C LEU A 115 5.693 -10.741 -0.626 1.00 1.24 C ATOM 1806 O LEU A 115 4.832 -11.616 -0.711 1.00 1.61 O ATOM 1807 CB LEU A 115 5.296 -8.368 -1.448 1.00 1.35 C ATOM 1808 CG LEU A 115 5.503 -7.325 -2.572 1.00 1.73 C ATOM 1809 CD1 LEU A 115 4.187 -6.980 -3.289 1.00 2.60 C ATOM 1810 CD2 LEU A 115 6.145 -6.061 -2.013 1.00 1.58 C ATOM 0 H LEU A 115 4.264 -10.678 -2.741 1.00 1.20 H new ATOM 0 HA LEU A 115 6.939 -9.654 -2.017 1.00 1.24 H new ATOM 0 HB2 LEU A 115 4.230 -8.466 -1.241 1.00 1.35 H new ATOM 0 HB3 LEU A 115 5.767 -8.008 -0.533 1.00 1.35 H new ATOM 0 HG LEU A 115 6.171 -7.771 -3.309 1.00 1.73 H new ATOM 0 HD11 LEU A 115 4.380 -6.244 -4.070 1.00 2.60 H new ATOM 0 HD12 LEU A 115 3.769 -7.882 -3.736 1.00 2.60 H new ATOM 0 HD13 LEU A 115 3.478 -6.569 -2.570 1.00 2.60 H new ATOM 0 HD21 LEU A 115 6.284 -5.338 -2.816 1.00 1.58 H new ATOM 0 HD22 LEU A 115 5.499 -5.633 -1.247 1.00 1.58 H new ATOM 0 HD23 LEU A 115 7.112 -6.307 -1.575 1.00 1.58 H new ATOM 1822 N PRO A 116 6.451 -10.628 0.481 1.00 1.02 N ATOM 1823 CA PRO A 116 6.227 -11.424 1.689 1.00 1.15 C ATOM 1824 C PRO A 116 5.146 -10.840 2.621 1.00 1.37 C ATOM 1825 O PRO A 116 4.696 -9.704 2.485 1.00 1.62 O ATOM 1826 CB PRO A 116 7.595 -11.469 2.382 1.00 1.12 C ATOM 1827 CG PRO A 116 8.209 -10.121 2.005 1.00 1.02 C ATOM 1828 CD PRO A 116 7.720 -9.923 0.569 1.00 0.87 C ATOM 0 HA PRO A 116 5.846 -12.413 1.433 1.00 1.15 H new ATOM 0 HB2 PRO A 116 7.498 -11.582 3.462 1.00 1.12 H new ATOM 0 HB3 PRO A 116 8.201 -12.303 2.028 1.00 1.12 H new ATOM 0 HG2 PRO A 116 7.868 -9.322 2.663 1.00 1.02 H new ATOM 0 HG3 PRO A 116 9.297 -10.140 2.064 1.00 1.02 H new ATOM 0 HD2 PRO A 116 7.596 -8.864 0.341 1.00 0.87 H new ATOM 0 HD3 PRO A 116 8.439 -10.321 -0.147 1.00 0.87 H new ATOM 1836 N VAL A 117 4.773 -11.622 3.630 1.00 1.30 N ATOM 1837 CA VAL A 117 4.189 -11.216 4.903 1.00 1.28 C ATOM 1838 C VAL A 117 5.330 -11.118 5.932 1.00 1.31 C ATOM 1839 O VAL A 117 6.163 -12.022 5.993 1.00 1.50 O ATOM 1840 CB VAL A 117 3.196 -12.299 5.383 1.00 1.29 C ATOM 1841 CG1 VAL A 117 2.577 -11.909 6.724 1.00 1.35 C ATOM 1842 CG2 VAL A 117 2.055 -12.596 4.397 1.00 1.34 C ATOM 0 H VAL A 117 4.880 -12.635 3.573 1.00 1.30 H new ATOM 0 HA VAL A 117 3.670 -10.264 4.793 1.00 1.28 H new ATOM 0 HB VAL A 117 3.796 -13.205 5.471 1.00 1.29 H new ATOM 0 HG11 VAL A 117 1.881 -12.685 7.043 1.00 1.35 H new ATOM 0 HG12 VAL A 117 3.364 -11.798 7.470 1.00 1.35 H new ATOM 0 HG13 VAL A 117 2.043 -10.965 6.617 1.00 1.35 H new ATOM 0 HG21 VAL A 117 1.406 -13.367 4.813 1.00 1.34 H new ATOM 0 HG22 VAL A 117 1.477 -11.688 4.226 1.00 1.34 H new ATOM 0 HG23 VAL A 117 2.472 -12.944 3.452 1.00 1.34 H new ATOM 1852 N GLU A 118 5.355 -10.074 6.767 1.00 1.18 N ATOM 1853 CA GLU A 118 6.345 -9.914 7.835 1.00 1.26 C ATOM 1854 C GLU A 118 5.797 -9.057 8.990 1.00 1.20 C ATOM 1855 O GLU A 118 4.823 -8.325 8.825 1.00 1.29 O ATOM 1856 CB GLU A 118 7.676 -9.390 7.243 1.00 1.51 C ATOM 1857 CG GLU A 118 8.900 -9.547 8.158 1.00 1.70 C ATOM 1858 CD GLU A 118 8.912 -10.902 8.868 1.00 3.51 C ATOM 1859 OE1 GLU A 118 9.084 -11.935 8.187 1.00 5.05 O ATOM 1860 OE2 GLU A 118 8.594 -10.879 10.079 1.00 4.21 O ATOM 0 H GLU A 118 4.682 -9.309 6.719 1.00 1.18 H new ATOM 0 HA GLU A 118 6.558 -10.886 8.281 1.00 1.26 H new ATOM 0 HB2 GLU A 118 7.871 -9.914 6.307 1.00 1.51 H new ATOM 0 HB3 GLU A 118 7.557 -8.334 6.999 1.00 1.51 H new ATOM 0 HG2 GLU A 118 9.810 -9.438 7.568 1.00 1.70 H new ATOM 0 HG3 GLU A 118 8.903 -8.748 8.900 1.00 1.70 H new ATOM 1867 N ALA A 119 6.380 -9.177 10.186 1.00 1.38 N ATOM 1868 CA ALA A 119 5.801 -8.711 11.450 1.00 1.51 C ATOM 1869 C ALA A 119 5.962 -7.214 11.764 1.00 1.56 C ATOM 1870 O ALA A 119 5.584 -6.769 12.849 1.00 2.24 O ATOM 1871 CB ALA A 119 6.421 -9.566 12.566 1.00 1.76 C ATOM 0 H ALA A 119 7.294 -9.614 10.305 1.00 1.38 H new ATOM 0 HA ALA A 119 4.721 -8.830 11.368 1.00 1.51 H new ATOM 0 HB1 ALA A 119 6.018 -9.254 13.530 1.00 1.76 H new ATOM 0 HB2 ALA A 119 6.182 -10.616 12.395 1.00 1.76 H new ATOM 0 HB3 ALA A 119 7.503 -9.436 12.566 1.00 1.76 H new ATOM 1877 N ARG A 120 6.546 -6.428 10.856 1.00 1.77 N ATOM 1878 CA ARG A 120 7.080 -5.091 11.178 1.00 1.87 C ATOM 1879 C ARG A 120 5.998 -4.019 11.314 1.00 1.95 C ATOM 1880 O ARG A 120 5.407 -3.613 10.294 1.00 2.83 O ATOM 1881 CB ARG A 120 8.220 -4.706 10.214 1.00 2.30 C ATOM 1882 CG ARG A 120 9.341 -3.937 10.930 1.00 2.51 C ATOM 1883 CD ARG A 120 8.941 -2.544 11.453 1.00 2.87 C ATOM 1884 NE ARG A 120 9.554 -2.260 12.766 1.00 3.75 N ATOM 1885 CZ ARG A 120 9.046 -2.544 13.955 1.00 5.04 C ATOM 1886 NH1 ARG A 120 7.874 -3.072 14.147 1.00 5.96 N ATOM 1887 NH2 ARG A 120 9.744 -2.293 15.025 1.00 6.16 N ATOM 1888 OXT ARG A 120 5.793 -3.584 12.470 1.00 2.66 O ATOM 0 H ARG A 120 6.665 -6.694 9.878 1.00 1.77 H new ATOM 0 HA ARG A 120 7.516 -5.150 12.175 1.00 1.87 H new ATOM 0 HB2 ARG A 120 8.631 -5.607 9.760 1.00 2.30 H new ATOM 0 HB3 ARG A 120 7.820 -4.095 9.405 1.00 2.30 H new ATOM 0 HG2 ARG A 120 9.694 -4.536 11.769 1.00 2.51 H new ATOM 0 HG3 ARG A 120 10.180 -3.824 10.243 1.00 2.51 H new ATOM 0 HD2 ARG A 120 9.248 -1.783 10.735 1.00 2.87 H new ATOM 0 HD3 ARG A 120 7.856 -2.484 11.537 1.00 2.87 H new ATOM 0 HE ARG A 120 10.463 -1.797 12.756 1.00 3.75 H new ATOM 0 HH11 ARG A 120 7.279 -3.296 13.350 1.00 5.96 H new ATOM 0 HH12 ARG A 120 7.550 -3.263 15.095 1.00 5.96 H new ATOM 0 HH21 ARG A 120 10.673 -1.881 14.943 1.00 6.16 H new ATOM 0 HH22 ARG A 120 9.361 -2.508 15.946 1.00 6.16 H new