USER MOD reduce.3.24.130724 H: found=0, std=0, add=965, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 962 hydrogens (8 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 NoAdj-H: B 8 PTR HN2 : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD NoAdj-H: B 8 PTR H : B 8 PTR N : B 7 ILE C :(H bumps) USER MOD Set 1.1: A 30 THR OG1 : rot 68:sc= 0.676 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.197 K(o=0.48,f=-1!) USER MOD Set 2.1: A 91 HIS :FLIP no HD1:sc= -0.339 F(o=-0.55,f=0.54) USER MOD Set 2.2: A 95 THR OG1 : rot -107:sc= 0.884 USER MOD Set 3.1: A 46 SER OG : rot -30:sc= 1.12 USER MOD Set 3.2: A 64 HIS : no HE2:sc= -5.18! C(o=-4.1!,f=-4.4!) USER MOD Set 4.1: A 39 GLN : amide:sc= -0.347 X(o=-0.35,f=-0.64) USER MOD Set 4.2: A 66 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -179:sc= 0 (180deg=-0.00268) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 6:sc= 0.519 USER MOD Single : A 10 HIS : no HD1:sc= -0.0905 K(o=-0.091,f=-0.95) USER MOD Single : A 12 HIS : no HD1:sc= -0.329 X(o=-0.33,f=0.0008) USER MOD Single : A 13 MET CE :methyl 178:sc=-0.00903 (180deg=-0.00945) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0864 K(o=-0.086,f=-1.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 140:sc= -0.51 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -124:sc= -0.458 (180deg=-2.28!) USER MOD Single : A 58 SER OG : rot 70:sc= 1.31 USER MOD Single : A 63 THR OG1 : rot -139:sc= 0.532 USER MOD Single : A 68 MET CE :methyl -138:sc= -1.15 (180deg=-1.47) USER MOD Single : A 69 CYS SG : rot 35:sc= 0.52 USER MOD Single : A 74 TYR OH : rot -65:sc= 0.28! USER MOD Single : A 75 THR OG1 : rot -177:sc= 1.13 USER MOD Single : A 81 THR OG1 : rot -160:sc= 0 USER MOD Single : A 84 SER OG : rot 25:sc= 0.632 USER MOD Single : A 86 THR OG1 : rot -30:sc= 0.0241 USER MOD Single : A 93 LYS NZ :NH3+ 166:sc= 0.19 (180deg=0.132) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 53:sc= -0.296 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.626 USER MOD Single : A 113 SER OG : rot 34:sc= 0.138 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN :FLIP amide:sc= -0.0713 F(o=-1.8,f=-0.071) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 9 SER OG : rot -5:sc= -2.7! USER MOD Single : B 12 ASN :FLIP amide:sc= -2.13! C(o=-4.5!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.009 -22.639 -17.514 1.00 0.00 N ATOM 2 CA GLY A 1 11.782 -22.804 -18.271 1.00 0.00 C ATOM 3 C GLY A 1 10.959 -21.532 -18.327 1.00 0.00 C ATOM 4 O GLY A 1 10.469 -21.148 -19.389 1.00 0.00 O ATOM 0 H1 GLY A 1 13.543 -23.531 -17.520 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.585 -21.888 -17.945 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.780 -22.379 -16.533 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.024 -23.121 -19.285 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.186 -23.599 -17.822 1.00 0.00 H new ATOM 8 N SER A 2 10.807 -20.878 -17.181 1.00 0.00 N ATOM 9 CA SER A 2 10.033 -19.644 -17.103 1.00 0.00 C ATOM 10 C SER A 2 10.596 -18.717 -16.029 1.00 0.00 C ATOM 11 O SER A 2 11.205 -19.169 -15.059 1.00 0.00 O ATOM 12 CB SER A 2 8.566 -19.955 -16.805 1.00 0.00 C ATOM 13 OG SER A 2 7.737 -18.845 -17.101 1.00 0.00 O ATOM 0 H SER A 2 11.209 -21.181 -16.294 1.00 0.00 H new ATOM 0 HA SER A 2 10.101 -19.140 -18.067 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.248 -20.817 -17.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.455 -20.226 -15.755 1.00 0.00 H new ATOM 0 HG SER A 2 6.804 -19.071 -16.903 1.00 0.00 H new ATOM 19 N SER A 3 10.388 -17.417 -16.211 1.00 0.00 N ATOM 20 CA SER A 3 10.878 -16.424 -15.261 1.00 0.00 C ATOM 21 C SER A 3 9.729 -15.580 -14.718 1.00 0.00 C ATOM 22 O SER A 3 9.521 -15.498 -13.508 1.00 0.00 O ATOM 23 CB SER A 3 11.920 -15.522 -15.925 1.00 0.00 C ATOM 24 OG SER A 3 12.482 -14.618 -14.989 1.00 0.00 O ATOM 0 H SER A 3 9.884 -17.026 -17.007 1.00 0.00 H new ATOM 0 HA SER A 3 11.344 -16.952 -14.429 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.709 -16.134 -16.363 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.458 -14.966 -16.740 1.00 0.00 H new ATOM 0 HG SER A 3 13.146 -14.054 -15.437 1.00 0.00 H new ATOM 30 N GLY A 4 8.986 -14.950 -15.624 1.00 0.00 N ATOM 31 CA GLY A 4 7.867 -14.119 -15.218 1.00 0.00 C ATOM 32 C GLY A 4 8.285 -12.694 -14.914 1.00 0.00 C ATOM 33 O GLY A 4 9.425 -12.444 -14.522 1.00 0.00 O ATOM 0 H GLY A 4 9.139 -15.000 -16.631 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.116 -14.114 -16.008 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.397 -14.553 -14.335 1.00 0.00 H new ATOM 37 N SER A 5 7.360 -11.757 -15.097 1.00 0.00 N ATOM 38 CA SER A 5 7.640 -10.348 -14.844 1.00 0.00 C ATOM 39 C SER A 5 6.781 -9.820 -13.699 1.00 0.00 C ATOM 40 O SER A 5 5.676 -10.308 -13.461 1.00 0.00 O ATOM 41 CB SER A 5 7.389 -9.522 -16.107 1.00 0.00 C ATOM 42 OG SER A 5 8.516 -9.547 -16.965 1.00 0.00 O ATOM 0 H SER A 5 6.411 -11.948 -15.419 1.00 0.00 H new ATOM 0 HA SER A 5 8.689 -10.257 -14.560 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.518 -9.913 -16.634 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.160 -8.492 -15.832 1.00 0.00 H new ATOM 0 HG SER A 5 8.330 -9.013 -17.766 1.00 0.00 H new ATOM 48 N SER A 6 7.297 -8.819 -12.992 1.00 0.00 N ATOM 49 CA SER A 6 6.580 -8.227 -11.870 1.00 0.00 C ATOM 50 C SER A 6 5.909 -6.921 -12.282 1.00 0.00 C ATOM 51 O SER A 6 6.317 -6.278 -13.249 1.00 0.00 O ATOM 52 CB SER A 6 7.536 -7.976 -10.702 1.00 0.00 C ATOM 53 OG SER A 6 7.686 -9.139 -9.907 1.00 0.00 O ATOM 0 H SER A 6 8.209 -8.402 -13.177 1.00 0.00 H new ATOM 0 HA SER A 6 5.807 -8.928 -11.554 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.508 -7.665 -11.084 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.158 -7.158 -10.088 1.00 0.00 H new ATOM 0 HG SER A 6 8.303 -8.953 -9.169 1.00 0.00 H new ATOM 59 N GLY A 7 4.875 -6.533 -11.541 1.00 0.00 N ATOM 60 CA GLY A 7 4.163 -5.306 -11.845 1.00 0.00 C ATOM 61 C GLY A 7 4.315 -4.263 -10.755 1.00 0.00 C ATOM 62 O GLY A 7 5.057 -3.294 -10.915 1.00 0.00 O ATOM 0 H GLY A 7 4.518 -7.047 -10.736 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.531 -4.899 -12.787 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.105 -5.529 -11.986 1.00 0.00 H new ATOM 66 N TRP A 8 3.612 -4.461 -9.647 1.00 0.00 N ATOM 67 CA TRP A 8 3.672 -3.528 -8.527 1.00 0.00 C ATOM 68 C TRP A 8 4.192 -4.217 -7.271 1.00 0.00 C ATOM 69 O TRP A 8 3.895 -3.797 -6.153 1.00 0.00 O ATOM 70 CB TRP A 8 2.289 -2.930 -8.260 1.00 0.00 C ATOM 71 CG TRP A 8 1.164 -3.840 -8.651 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.180 -3.581 -9.563 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.905 -5.151 -8.142 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.674 -4.653 -9.651 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.251 -5.631 -8.789 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.539 -5.971 -7.202 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.784 -6.890 -8.526 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.008 -7.219 -6.942 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.143 -7.670 -7.602 1.00 0.00 C ATOM 0 H TRP A 8 2.994 -5.259 -9.499 1.00 0.00 H new ATOM 0 HA TRP A 8 4.362 -2.727 -8.791 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.202 -2.691 -7.200 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.195 -1.992 -8.807 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.087 -2.667 -10.131 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.491 -4.712 -10.259 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.428 -5.634 -6.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.672 -7.239 -9.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.489 -7.859 -6.217 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.532 -8.652 -7.377 1.00 0.00 H new ATOM 90 N TYR A 9 4.972 -5.275 -7.462 1.00 0.00 N ATOM 91 CA TYR A 9 5.532 -6.024 -6.344 1.00 0.00 C ATOM 92 C TYR A 9 7.028 -5.755 -6.203 1.00 0.00 C ATOM 93 O TYR A 9 7.801 -5.977 -7.136 1.00 0.00 O ATOM 94 CB TYR A 9 5.287 -7.521 -6.531 1.00 0.00 C ATOM 95 CG TYR A 9 5.418 -8.321 -5.255 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.344 -8.456 -4.383 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.615 -8.941 -4.919 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.459 -9.185 -3.215 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.740 -9.673 -3.754 1.00 0.00 C ATOM 100 CZ TYR A 9 5.659 -9.792 -2.905 1.00 0.00 C ATOM 101 OH TYR A 9 5.778 -10.519 -1.744 1.00 0.00 O ATOM 0 H TYR A 9 5.231 -5.633 -8.381 1.00 0.00 H new ATOM 0 HA TYR A 9 5.034 -5.693 -5.433 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.288 -7.668 -6.941 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.993 -7.907 -7.266 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.403 -7.983 -4.623 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.464 -8.849 -5.581 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.615 -9.279 -2.548 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.678 -10.149 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 9 4.902 -10.587 -1.310 1.00 0.00 H new ATOM 111 N HIS A 10 7.429 -5.275 -5.030 1.00 0.00 N ATOM 112 CA HIS A 10 8.832 -4.977 -4.765 1.00 0.00 C ATOM 113 C HIS A 10 9.471 -6.077 -3.923 1.00 0.00 C ATOM 114 O HIS A 10 10.478 -6.665 -4.315 1.00 0.00 O ATOM 115 CB HIS A 10 8.963 -3.631 -4.051 1.00 0.00 C ATOM 116 CG HIS A 10 8.540 -2.465 -4.891 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.434 -1.571 -5.443 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.310 -2.048 -5.272 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.772 -0.655 -6.127 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.481 -0.922 -6.039 1.00 0.00 N ATOM 0 H HIS A 10 6.802 -5.084 -4.248 1.00 0.00 H new ATOM 0 HA HIS A 10 9.354 -4.925 -5.720 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.362 -3.651 -3.142 1.00 0.00 H new ATOM 0 HB3 HIS A 10 10.000 -3.491 -3.744 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.369 -2.514 -5.020 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.211 0.171 -6.666 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.733 -0.380 -6.471 1.00 0.00 H new ATOM 129 N GLY A 11 8.880 -6.348 -2.764 1.00 0.00 N ATOM 130 CA GLY A 11 9.406 -7.376 -1.885 1.00 0.00 C ATOM 131 C GLY A 11 10.092 -6.797 -0.663 1.00 0.00 C ATOM 132 O GLY A 11 9.453 -6.159 0.173 1.00 0.00 O ATOM 0 H GLY A 11 8.046 -5.874 -2.418 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.593 -8.029 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.114 -7.994 -2.437 1.00 0.00 H new ATOM 136 N HIS A 12 11.397 -7.024 -0.557 1.00 0.00 N ATOM 137 CA HIS A 12 12.172 -6.521 0.574 1.00 0.00 C ATOM 138 C HIS A 12 12.043 -5.006 0.687 1.00 0.00 C ATOM 139 O HIS A 12 12.598 -4.264 -0.122 1.00 0.00 O ATOM 140 CB HIS A 12 13.642 -6.911 0.425 1.00 0.00 C ATOM 141 CG HIS A 12 13.874 -8.391 0.438 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.524 -9.042 1.465 1.00 0.00 N ATOM 143 CD2 HIS A 12 13.536 -9.347 -0.457 1.00 0.00 C ATOM 144 CE1 HIS A 12 14.578 -10.334 1.199 1.00 0.00 C ATOM 145 NE2 HIS A 12 13.985 -10.547 0.038 1.00 0.00 N ATOM 0 H HIS A 12 11.941 -7.552 -1.239 1.00 0.00 H new ATOM 0 HA HIS A 12 11.776 -6.971 1.485 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.026 -6.500 -0.509 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.214 -6.455 1.233 1.00 0.00 H new ATOM 0 HD2 HIS A 12 13.011 -9.195 -1.388 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.030 -11.089 1.825 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.878 -11.454 -0.416 1.00 0.00 H new ATOM 154 N MET A 13 11.308 -4.553 1.698 1.00 0.00 N ATOM 155 CA MET A 13 11.108 -3.126 1.918 1.00 0.00 C ATOM 156 C MET A 13 10.573 -2.861 3.322 1.00 0.00 C ATOM 157 O MET A 13 9.720 -3.596 3.819 1.00 0.00 O ATOM 158 CB MET A 13 10.142 -2.557 0.877 1.00 0.00 C ATOM 159 CG MET A 13 10.246 -1.050 0.709 1.00 0.00 C ATOM 160 SD MET A 13 11.507 -0.568 -0.485 1.00 0.00 S ATOM 161 CE MET A 13 10.636 -0.842 -2.026 1.00 0.00 C ATOM 0 H MET A 13 10.841 -5.154 2.377 1.00 0.00 H new ATOM 0 HA MET A 13 12.074 -2.631 1.816 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.333 -3.035 -0.084 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.122 -2.813 1.163 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.281 -0.657 0.390 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.473 -0.596 1.674 1.00 0.00 H new ATOM 0 HE1 MET A 13 11.275 -0.554 -2.861 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.376 -1.897 -2.115 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.726 -0.242 -2.041 1.00 0.00 H new ATOM 171 N SER A 14 11.080 -1.808 3.956 1.00 0.00 N ATOM 172 CA SER A 14 10.656 -1.450 5.304 1.00 0.00 C ATOM 173 C SER A 14 9.621 -0.329 5.268 1.00 0.00 C ATOM 174 O SER A 14 9.678 0.555 4.414 1.00 0.00 O ATOM 175 CB SER A 14 11.860 -1.022 6.144 1.00 0.00 C ATOM 176 OG SER A 14 12.826 -2.056 6.216 1.00 0.00 O ATOM 0 H SER A 14 11.785 -1.188 3.557 1.00 0.00 H new ATOM 0 HA SER A 14 10.199 -2.328 5.760 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.310 -0.129 5.711 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.531 -0.757 7.149 1.00 0.00 H new ATOM 0 HG SER A 14 13.586 -1.756 6.757 1.00 0.00 H new ATOM 182 N GLY A 15 8.676 -0.374 6.202 1.00 0.00 N ATOM 183 CA GLY A 15 7.642 0.642 6.261 1.00 0.00 C ATOM 184 C GLY A 15 8.189 2.039 6.039 1.00 0.00 C ATOM 185 O GLY A 15 7.816 2.713 5.080 1.00 0.00 O ATOM 0 H GLY A 15 8.608 -1.096 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.883 0.428 5.508 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.149 0.598 7.232 1.00 0.00 H new ATOM 189 N GLY A 16 9.075 2.475 6.930 1.00 0.00 N ATOM 190 CA GLY A 16 9.656 3.799 6.810 1.00 0.00 C ATOM 191 C GLY A 16 10.191 4.073 5.418 1.00 0.00 C ATOM 192 O GLY A 16 10.284 5.227 4.999 1.00 0.00 O ATOM 0 H GLY A 16 9.400 1.935 7.732 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.904 4.547 7.060 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.464 3.905 7.534 1.00 0.00 H new ATOM 196 N GLN A 17 10.542 3.011 4.700 1.00 0.00 N ATOM 197 CA GLN A 17 11.072 3.144 3.348 1.00 0.00 C ATOM 198 C GLN A 17 9.965 3.507 2.363 1.00 0.00 C ATOM 199 O GLN A 17 9.974 4.586 1.774 1.00 0.00 O ATOM 200 CB GLN A 17 11.752 1.845 2.914 1.00 0.00 C ATOM 201 CG GLN A 17 12.881 2.053 1.917 1.00 0.00 C ATOM 202 CD GLN A 17 13.736 0.815 1.737 1.00 0.00 C ATOM 203 OE1 GLN A 17 13.767 -0.064 2.599 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.436 0.738 0.611 1.00 0.00 N ATOM 0 H GLN A 17 10.469 2.049 5.032 1.00 0.00 H new ATOM 0 HA GLN A 17 11.809 3.947 3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.145 1.339 3.795 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.006 1.184 2.473 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.461 2.343 0.954 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.509 2.878 2.252 1.00 0.00 H new ATOM 0 HE21 GLN A 17 14.381 1.490 -0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.029 -0.073 0.434 1.00 0.00 H new ATOM 213 N ALA A 18 9.013 2.596 2.191 1.00 0.00 N ATOM 214 CA ALA A 18 7.898 2.820 1.279 1.00 0.00 C ATOM 215 C ALA A 18 7.460 4.281 1.295 1.00 0.00 C ATOM 216 O ALA A 18 7.238 4.883 0.245 1.00 0.00 O ATOM 217 CB ALA A 18 6.730 1.914 1.639 1.00 0.00 C ATOM 0 H ALA A 18 8.991 1.696 2.671 1.00 0.00 H new ATOM 0 HA ALA A 18 8.233 2.579 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.905 2.093 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.043 0.872 1.569 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.404 2.127 2.657 1.00 0.00 H new ATOM 223 N GLU A 19 7.337 4.844 2.493 1.00 0.00 N ATOM 224 CA GLU A 19 6.925 6.234 2.644 1.00 0.00 C ATOM 225 C GLU A 19 7.807 7.157 1.809 1.00 0.00 C ATOM 226 O GLU A 19 7.313 8.041 1.107 1.00 0.00 O ATOM 227 CB GLU A 19 6.983 6.649 4.115 1.00 0.00 C ATOM 228 CG GLU A 19 5.677 6.431 4.862 1.00 0.00 C ATOM 229 CD GLU A 19 5.599 7.229 6.148 1.00 0.00 C ATOM 230 OE1 GLU A 19 6.335 8.231 6.271 1.00 0.00 O ATOM 231 OE2 GLU A 19 4.803 6.851 7.033 1.00 0.00 O ATOM 0 H GLU A 19 7.517 4.359 3.372 1.00 0.00 H new ATOM 0 HA GLU A 19 5.898 6.322 2.289 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.774 6.087 4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.255 7.703 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.843 6.707 4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.566 5.371 5.090 1.00 0.00 H new ATOM 238 N THR A 20 9.117 6.948 1.891 1.00 0.00 N ATOM 239 CA THR A 20 10.070 7.762 1.145 1.00 0.00 C ATOM 240 C THR A 20 9.878 7.592 -0.358 1.00 0.00 C ATOM 241 O THR A 20 9.666 8.567 -1.081 1.00 0.00 O ATOM 242 CB THR A 20 11.522 7.402 1.509 1.00 0.00 C ATOM 243 OG1 THR A 20 11.723 7.543 2.920 1.00 0.00 O ATOM 244 CG2 THR A 20 12.504 8.291 0.760 1.00 0.00 C ATOM 0 H THR A 20 9.543 6.222 2.467 1.00 0.00 H new ATOM 0 HA THR A 20 9.882 8.800 1.418 1.00 0.00 H new ATOM 0 HB THR A 20 11.700 6.366 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.648 7.311 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.523 8.018 1.033 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.368 8.159 -0.313 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.325 9.333 1.023 1.00 0.00 H new ATOM 252 N LEU A 21 9.954 6.351 -0.824 1.00 0.00 N ATOM 253 CA LEU A 21 9.788 6.054 -2.242 1.00 0.00 C ATOM 254 C LEU A 21 8.488 6.648 -2.774 1.00 0.00 C ATOM 255 O LEU A 21 8.478 7.325 -3.805 1.00 0.00 O ATOM 256 CB LEU A 21 9.802 4.541 -2.472 1.00 0.00 C ATOM 257 CG LEU A 21 11.042 3.798 -1.975 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.864 3.371 -0.526 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.330 2.592 -2.856 1.00 0.00 C ATOM 0 H LEU A 21 10.130 5.533 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 21 10.620 6.505 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.926 4.112 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.696 4.355 -3.541 1.00 0.00 H new ATOM 0 HG LEU A 21 11.894 4.476 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.757 2.844 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.707 4.252 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.000 2.711 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.216 2.075 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.478 1.913 -2.833 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.503 2.923 -3.880 1.00 0.00 H new ATOM 271 N LEU A 22 7.394 6.394 -2.067 1.00 0.00 N ATOM 272 CA LEU A 22 6.087 6.906 -2.467 1.00 0.00 C ATOM 273 C LEU A 22 6.065 8.431 -2.427 1.00 0.00 C ATOM 274 O LEU A 22 5.930 9.085 -3.460 1.00 0.00 O ATOM 275 CB LEU A 22 4.996 6.346 -1.552 1.00 0.00 C ATOM 276 CG LEU A 22 4.473 4.954 -1.908 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.443 4.493 -0.888 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.877 4.949 -3.308 1.00 0.00 C ATOM 0 H LEU A 22 7.385 5.836 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 22 5.896 6.584 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.383 6.318 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.156 7.040 -1.555 1.00 0.00 H new ATOM 0 HG LEU A 22 5.311 4.257 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.082 3.501 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.901 4.456 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.606 5.192 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.510 3.950 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.051 5.659 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.642 5.234 -4.030 1.00 0.00 H new ATOM 290 N GLN A 23 6.201 8.989 -1.228 1.00 0.00 N ATOM 291 CA GLN A 23 6.197 10.437 -1.056 1.00 0.00 C ATOM 292 C GLN A 23 7.074 11.112 -2.105 1.00 0.00 C ATOM 293 O GLN A 23 6.662 12.082 -2.742 1.00 0.00 O ATOM 294 CB GLN A 23 6.685 10.806 0.347 1.00 0.00 C ATOM 295 CG GLN A 23 5.687 10.474 1.444 1.00 0.00 C ATOM 296 CD GLN A 23 6.281 10.610 2.833 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.485 10.439 3.025 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.437 10.919 3.810 1.00 0.00 N ATOM 0 H GLN A 23 6.315 8.461 -0.363 1.00 0.00 H new ATOM 0 HA GLN A 23 5.174 10.790 -1.182 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.620 10.282 0.547 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.904 11.873 0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.823 11.133 1.356 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.326 9.455 1.305 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.447 11.052 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.779 11.024 4.765 1.00 0.00 H new ATOM 307 N ALA A 24 8.284 10.593 -2.281 1.00 0.00 N ATOM 308 CA ALA A 24 9.219 11.146 -3.255 1.00 0.00 C ATOM 309 C ALA A 24 8.584 11.225 -4.639 1.00 0.00 C ATOM 310 O ALA A 24 8.890 12.123 -5.423 1.00 0.00 O ATOM 311 CB ALA A 24 10.489 10.308 -3.301 1.00 0.00 C ATOM 0 H ALA A 24 8.641 9.790 -1.762 1.00 0.00 H new ATOM 0 HA ALA A 24 9.476 12.158 -2.943 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.178 10.732 -4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.959 10.306 -2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.240 9.286 -3.587 1.00 0.00 H new ATOM 317 N LYS A 25 7.700 10.278 -4.935 1.00 0.00 N ATOM 318 CA LYS A 25 7.022 10.240 -6.225 1.00 0.00 C ATOM 319 C LYS A 25 6.154 11.480 -6.421 1.00 0.00 C ATOM 320 O LYS A 25 6.173 12.101 -7.482 1.00 0.00 O ATOM 321 CB LYS A 25 6.161 8.980 -6.335 1.00 0.00 C ATOM 322 CG LYS A 25 5.595 8.749 -7.726 1.00 0.00 C ATOM 323 CD LYS A 25 6.620 8.107 -8.646 1.00 0.00 C ATOM 324 CE LYS A 25 6.350 8.445 -10.104 1.00 0.00 C ATOM 325 NZ LYS A 25 7.225 7.667 -11.025 1.00 0.00 N ATOM 0 H LYS A 25 7.436 9.526 -4.298 1.00 0.00 H new ATOM 0 HA LYS A 25 7.782 10.223 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.759 8.115 -6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.338 9.049 -5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.714 8.111 -7.660 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.269 9.699 -8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.619 8.446 -8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.603 7.025 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.305 8.241 -10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.510 9.511 -10.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.010 7.926 -12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.222 7.881 -10.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.054 6.650 -10.890 1.00 0.00 H new ATOM 339 N GLY A 26 5.396 11.835 -5.387 1.00 0.00 N ATOM 340 CA GLY A 26 4.534 13.000 -5.466 1.00 0.00 C ATOM 341 C GLY A 26 3.292 12.746 -6.296 1.00 0.00 C ATOM 342 O GLY A 26 2.622 13.686 -6.724 1.00 0.00 O ATOM 0 H GLY A 26 5.364 11.337 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.240 13.300 -4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.091 13.832 -5.896 1.00 0.00 H new ATOM 346 N GLU A 27 2.984 11.473 -6.526 1.00 0.00 N ATOM 347 CA GLU A 27 1.815 11.101 -7.313 1.00 0.00 C ATOM 348 C GLU A 27 0.712 10.543 -6.418 1.00 0.00 C ATOM 349 O GLU A 27 0.887 9.543 -5.723 1.00 0.00 O ATOM 350 CB GLU A 27 2.196 10.068 -8.375 1.00 0.00 C ATOM 351 CG GLU A 27 2.850 10.672 -9.606 1.00 0.00 C ATOM 352 CD GLU A 27 2.584 9.866 -10.863 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.118 8.714 -10.740 1.00 0.00 O ATOM 354 OE2 GLU A 27 2.843 10.386 -11.968 1.00 0.00 O ATOM 0 H GLU A 27 3.528 10.683 -6.179 1.00 0.00 H new ATOM 0 HA GLU A 27 1.440 11.998 -7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.876 9.340 -7.933 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.301 9.525 -8.679 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.483 11.689 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.926 10.741 -9.444 1.00 0.00 H new ATOM 361 N PRO A 28 -0.453 11.207 -6.434 1.00 0.00 N ATOM 362 CA PRO A 28 -1.609 10.797 -5.630 1.00 0.00 C ATOM 363 C PRO A 28 -2.230 9.497 -6.128 1.00 0.00 C ATOM 364 O PRO A 28 -2.286 9.247 -7.333 1.00 0.00 O ATOM 365 CB PRO A 28 -2.591 11.959 -5.801 1.00 0.00 C ATOM 366 CG PRO A 28 -2.223 12.577 -7.106 1.00 0.00 C ATOM 367 CD PRO A 28 -0.734 12.409 -7.239 1.00 0.00 C ATOM 0 HA PRO A 28 -1.335 10.602 -4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.623 11.608 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.502 12.676 -4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.746 12.090 -7.929 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.501 13.631 -7.131 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.436 12.275 -8.279 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.196 13.279 -6.863 1.00 0.00 H new ATOM 375 N TRP A 29 -2.696 8.674 -5.196 1.00 0.00 N ATOM 376 CA TRP A 29 -3.313 7.399 -5.541 1.00 0.00 C ATOM 377 C TRP A 29 -2.273 6.412 -6.060 1.00 0.00 C ATOM 378 O TRP A 29 -2.587 5.518 -6.846 1.00 0.00 O ATOM 379 CB TRP A 29 -4.406 7.606 -6.592 1.00 0.00 C ATOM 380 CG TRP A 29 -5.253 8.816 -6.337 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.610 9.773 -7.244 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.847 9.199 -5.091 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.391 10.727 -6.638 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.551 10.398 -5.318 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.855 8.645 -3.809 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.253 11.051 -4.308 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.552 9.294 -2.808 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.244 10.486 -3.062 1.00 0.00 C ATOM 0 H TRP A 29 -2.658 8.867 -4.195 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.760 6.985 -4.637 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.943 7.696 -7.575 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.045 6.723 -6.620 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.321 9.779 -8.285 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.787 11.547 -7.097 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.326 7.726 -3.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.785 11.971 -4.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.564 8.875 -1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.781 10.968 -2.258 1.00 0.00 H new ATOM 399 N THR A 30 -1.031 6.581 -5.615 1.00 0.00 N ATOM 400 CA THR A 30 0.056 5.705 -6.036 1.00 0.00 C ATOM 401 C THR A 30 0.185 4.504 -5.107 1.00 0.00 C ATOM 402 O THR A 30 0.770 4.601 -4.028 1.00 0.00 O ATOM 403 CB THR A 30 1.399 6.457 -6.075 1.00 0.00 C ATOM 404 OG1 THR A 30 1.342 7.513 -7.040 1.00 0.00 O ATOM 405 CG2 THR A 30 2.540 5.511 -6.418 1.00 0.00 C ATOM 0 H THR A 30 -0.753 7.316 -4.964 1.00 0.00 H new ATOM 0 HA THR A 30 -0.187 5.359 -7.040 1.00 0.00 H new ATOM 0 HB THR A 30 1.582 6.878 -5.087 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.717 8.203 -6.733 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.478 6.065 -6.440 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.600 4.725 -5.665 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.360 5.064 -7.396 1.00 0.00 H new ATOM 413 N PHE A 31 -0.363 3.371 -5.532 1.00 0.00 N ATOM 414 CA PHE A 31 -0.309 2.150 -4.737 1.00 0.00 C ATOM 415 C PHE A 31 0.920 1.320 -5.098 1.00 0.00 C ATOM 416 O PHE A 31 1.540 1.529 -6.141 1.00 0.00 O ATOM 417 CB PHE A 31 -1.578 1.321 -4.949 1.00 0.00 C ATOM 418 CG PHE A 31 -1.568 0.525 -6.222 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.950 1.105 -7.421 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.177 -0.805 -6.221 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.941 0.375 -8.596 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.166 -1.540 -7.391 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.550 -0.950 -8.579 1.00 0.00 C ATOM 0 H PHE A 31 -0.850 3.273 -6.423 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.239 2.433 -3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.704 0.642 -4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.441 1.987 -4.953 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.259 2.140 -7.438 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.877 -1.272 -5.295 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.239 0.840 -9.524 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.857 -2.575 -7.376 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.545 -1.524 -9.494 1.00 0.00 H new ATOM 433 N LEU A 32 1.267 0.379 -4.228 1.00 0.00 N ATOM 434 CA LEU A 32 2.422 -0.484 -4.452 1.00 0.00 C ATOM 435 C LEU A 32 2.467 -1.612 -3.427 1.00 0.00 C ATOM 436 O LEU A 32 2.223 -1.397 -2.240 1.00 0.00 O ATOM 437 CB LEU A 32 3.714 0.333 -4.385 1.00 0.00 C ATOM 438 CG LEU A 32 4.301 0.546 -2.989 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.213 -0.611 -2.613 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.057 1.865 -2.924 1.00 0.00 C ATOM 0 H LEU A 32 0.765 0.194 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 32 2.328 -0.924 -5.445 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.465 -0.161 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.527 1.310 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 32 3.481 0.584 -2.272 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.622 -0.443 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.643 -1.540 -2.619 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.028 -0.680 -3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.468 2.000 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.869 1.855 -3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.377 2.686 -3.151 1.00 0.00 H new ATOM 452 N VAL A 33 2.782 -2.816 -3.894 1.00 0.00 N ATOM 453 CA VAL A 33 2.862 -3.979 -3.018 1.00 0.00 C ATOM 454 C VAL A 33 4.306 -4.271 -2.623 1.00 0.00 C ATOM 455 O VAL A 33 5.227 -4.087 -3.419 1.00 0.00 O ATOM 456 CB VAL A 33 2.262 -5.229 -3.688 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.043 -6.332 -2.663 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.961 -4.881 -4.395 1.00 0.00 C ATOM 0 H VAL A 33 2.986 -3.012 -4.874 1.00 0.00 H new ATOM 0 HA VAL A 33 2.284 -3.743 -2.124 1.00 0.00 H new ATOM 0 HB VAL A 33 2.968 -5.594 -4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.619 -7.207 -3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.996 -6.599 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.357 -5.981 -1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.551 -5.776 -4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.246 -4.490 -3.671 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.152 -4.127 -5.159 1.00 0.00 H new ATOM 468 N ARG A 34 4.495 -4.729 -1.390 1.00 0.00 N ATOM 469 CA ARG A 34 5.827 -5.046 -0.890 1.00 0.00 C ATOM 470 C ARG A 34 5.752 -6.045 0.261 1.00 0.00 C ATOM 471 O ARG A 34 5.213 -5.739 1.325 1.00 0.00 O ATOM 472 CB ARG A 34 6.539 -3.773 -0.429 1.00 0.00 C ATOM 473 CG ARG A 34 5.874 -3.099 0.759 1.00 0.00 C ATOM 474 CD ARG A 34 6.201 -1.615 0.815 1.00 0.00 C ATOM 475 NE ARG A 34 5.363 -0.905 1.777 1.00 0.00 N ATOM 476 CZ ARG A 34 5.476 -1.045 3.093 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.387 -1.864 3.601 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.677 -0.365 3.905 1.00 0.00 N ATOM 0 H ARG A 34 3.743 -4.889 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 34 6.395 -5.497 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.569 -4.017 -0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.579 -3.068 -1.260 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.794 -3.232 0.696 1.00 0.00 H new ATOM 0 HG3 ARG A 34 6.201 -3.579 1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.250 -1.485 1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.068 -1.177 -0.174 1.00 0.00 H new ATOM 0 HE ARG A 34 4.652 -0.267 1.419 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.004 -2.389 2.981 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.471 -1.969 4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.975 0.266 3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.765 -0.473 4.915 1.00 0.00 H new ATOM 492 N GLU A 35 6.296 -7.237 0.041 1.00 0.00 N ATOM 493 CA GLU A 35 6.288 -8.280 1.060 1.00 0.00 C ATOM 494 C GLU A 35 6.424 -7.678 2.456 1.00 0.00 C ATOM 495 O GLU A 35 7.081 -6.654 2.640 1.00 0.00 O ATOM 496 CB GLU A 35 7.422 -9.277 0.811 1.00 0.00 C ATOM 497 CG GLU A 35 7.092 -10.695 1.245 1.00 0.00 C ATOM 498 CD GLU A 35 8.314 -11.460 1.715 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.275 -11.587 0.928 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.309 -11.930 2.871 1.00 0.00 O ATOM 0 H GLU A 35 6.748 -7.505 -0.833 1.00 0.00 H new ATOM 0 HA GLU A 35 5.334 -8.803 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.666 -9.279 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.313 -8.941 1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.356 -10.663 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.632 -11.228 0.413 1.00 0.00 H new ATOM 507 N SER A 36 5.796 -8.321 3.434 1.00 0.00 N ATOM 508 CA SER A 36 5.843 -7.847 4.813 1.00 0.00 C ATOM 509 C SER A 36 7.282 -7.763 5.311 1.00 0.00 C ATOM 510 O SER A 36 8.218 -8.138 4.603 1.00 0.00 O ATOM 511 CB SER A 36 5.031 -8.773 5.721 1.00 0.00 C ATOM 512 OG SER A 36 4.779 -8.166 6.976 1.00 0.00 O ATOM 0 H SER A 36 5.249 -9.171 3.298 1.00 0.00 H new ATOM 0 HA SER A 36 5.408 -6.848 4.842 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.086 -9.023 5.239 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.571 -9.708 5.868 1.00 0.00 H new ATOM 0 HG SER A 36 4.257 -8.778 7.536 1.00 0.00 H new ATOM 518 N LEU A 37 7.451 -7.271 6.533 1.00 0.00 N ATOM 519 CA LEU A 37 8.777 -7.136 7.127 1.00 0.00 C ATOM 520 C LEU A 37 8.901 -7.996 8.380 1.00 0.00 C ATOM 521 O LEU A 37 10.005 -8.280 8.843 1.00 0.00 O ATOM 522 CB LEU A 37 9.059 -5.672 7.469 1.00 0.00 C ATOM 523 CG LEU A 37 10.528 -5.247 7.446 1.00 0.00 C ATOM 524 CD1 LEU A 37 11.056 -5.231 6.020 1.00 0.00 C ATOM 525 CD2 LEU A 37 10.698 -3.883 8.096 1.00 0.00 C ATOM 0 H LEU A 37 6.687 -6.959 7.132 1.00 0.00 H new ATOM 0 HA LEU A 37 9.511 -7.479 6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.509 -5.044 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.658 -5.468 8.462 1.00 0.00 H new ATOM 0 HG LEU A 37 11.106 -5.973 8.017 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.103 -4.926 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.970 -6.228 5.589 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.475 -4.527 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.749 -3.596 8.071 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.108 -3.145 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.359 -3.928 9.131 1.00 0.00 H new ATOM 537 N SER A 38 7.760 -8.410 8.924 1.00 0.00 N ATOM 538 CA SER A 38 7.742 -9.237 10.124 1.00 0.00 C ATOM 539 C SER A 38 7.177 -10.622 9.822 1.00 0.00 C ATOM 540 O SER A 38 7.909 -11.611 9.806 1.00 0.00 O ATOM 541 CB SER A 38 6.911 -8.564 11.220 1.00 0.00 C ATOM 542 OG SER A 38 7.641 -7.522 11.844 1.00 0.00 O ATOM 0 H SER A 38 6.837 -8.186 8.552 1.00 0.00 H new ATOM 0 HA SER A 38 8.769 -9.350 10.472 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.993 -8.163 10.790 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.618 -9.304 11.965 1.00 0.00 H new ATOM 0 HG SER A 38 7.089 -7.106 12.539 1.00 0.00 H new ATOM 548 N GLN A 39 5.872 -10.682 9.581 1.00 0.00 N ATOM 549 CA GLN A 39 5.209 -11.945 9.279 1.00 0.00 C ATOM 550 C GLN A 39 5.699 -12.514 7.951 1.00 0.00 C ATOM 551 O GLN A 39 5.441 -11.963 6.881 1.00 0.00 O ATOM 552 CB GLN A 39 3.691 -11.752 9.236 1.00 0.00 C ATOM 553 CG GLN A 39 3.033 -11.806 10.606 1.00 0.00 C ATOM 554 CD GLN A 39 1.520 -11.826 10.524 1.00 0.00 C ATOM 555 OE1 GLN A 39 0.905 -12.889 10.433 1.00 0.00 O ATOM 556 NE2 GLN A 39 0.909 -10.646 10.558 1.00 0.00 N ATOM 0 H GLN A 39 5.253 -9.871 9.589 1.00 0.00 H new ATOM 0 HA GLN A 39 5.456 -12.653 10.070 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.468 -10.791 8.772 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.253 -12.522 8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 39 3.376 -12.695 11.135 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.350 -10.943 11.192 1.00 0.00 H new ATOM 0 HE21 GLN A 39 1.458 -9.790 10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.109 -10.597 10.508 1.00 0.00 H new ATOM 565 N PRO A 40 6.421 -13.641 8.020 1.00 0.00 N ATOM 566 CA PRO A 40 6.963 -14.308 6.832 1.00 0.00 C ATOM 567 C PRO A 40 5.872 -14.944 5.977 1.00 0.00 C ATOM 568 O PRO A 40 6.157 -15.610 4.983 1.00 0.00 O ATOM 569 CB PRO A 40 7.879 -15.384 7.416 1.00 0.00 C ATOM 570 CG PRO A 40 7.327 -15.658 8.773 1.00 0.00 C ATOM 571 CD PRO A 40 6.767 -14.351 9.262 1.00 0.00 C ATOM 0 HA PRO A 40 7.473 -13.609 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.877 -16.283 6.799 1.00 0.00 H new ATOM 0 HB3 PRO A 40 8.911 -15.038 7.471 1.00 0.00 H new ATOM 0 HG2 PRO A 40 6.552 -16.424 8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.104 -16.025 9.444 1.00 0.00 H new ATOM 0 HD2 PRO A 40 5.893 -14.501 9.896 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.497 -13.797 9.851 1.00 0.00 H new ATOM 579 N GLY A 41 4.619 -14.733 6.371 1.00 0.00 N ATOM 580 CA GLY A 41 3.504 -15.293 5.630 1.00 0.00 C ATOM 581 C GLY A 41 2.401 -14.281 5.390 1.00 0.00 C ATOM 582 O GLY A 41 1.248 -14.651 5.165 1.00 0.00 O ATOM 0 H GLY A 41 4.357 -14.184 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.861 -15.670 4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.099 -16.144 6.177 1.00 0.00 H new ATOM 586 N ASP A 42 2.754 -13.001 5.437 1.00 0.00 N ATOM 587 CA ASP A 42 1.785 -11.932 5.225 1.00 0.00 C ATOM 588 C ASP A 42 2.337 -10.881 4.266 1.00 0.00 C ATOM 589 O ASP A 42 3.541 -10.829 4.012 1.00 0.00 O ATOM 590 CB ASP A 42 1.411 -11.280 6.557 1.00 0.00 C ATOM 591 CG ASP A 42 0.584 -12.196 7.437 1.00 0.00 C ATOM 592 OD1 ASP A 42 0.851 -13.415 7.443 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.331 -11.692 8.122 1.00 0.00 O ATOM 0 H ASP A 42 3.704 -12.678 5.620 1.00 0.00 H new ATOM 0 HA ASP A 42 0.891 -12.369 4.781 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.320 -10.995 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.853 -10.363 6.366 1.00 0.00 H new ATOM 598 N PHE A 43 1.449 -10.046 3.738 1.00 0.00 N ATOM 599 CA PHE A 43 1.848 -8.997 2.806 1.00 0.00 C ATOM 600 C PHE A 43 1.412 -7.626 3.312 1.00 0.00 C ATOM 601 O PHE A 43 0.743 -7.515 4.340 1.00 0.00 O ATOM 602 CB PHE A 43 1.246 -9.258 1.423 1.00 0.00 C ATOM 603 CG PHE A 43 1.709 -10.544 0.800 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.316 -11.764 1.325 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.540 -10.531 -0.309 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.740 -12.949 0.754 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.966 -11.714 -0.885 1.00 0.00 C ATOM 608 CZ PHE A 43 2.568 -12.924 -0.352 1.00 0.00 C ATOM 0 H PHE A 43 0.449 -10.075 3.939 1.00 0.00 H new ATOM 0 HA PHE A 43 2.935 -9.008 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.159 -9.274 1.506 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.503 -8.430 0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.671 -11.790 2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.858 -9.588 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.425 -13.894 1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.610 -11.691 -1.752 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.903 -13.849 -0.798 1.00 0.00 H new ATOM 618 N VAL A 44 1.797 -6.583 2.583 1.00 0.00 N ATOM 619 CA VAL A 44 1.446 -5.217 2.957 1.00 0.00 C ATOM 620 C VAL A 44 1.140 -4.372 1.726 1.00 0.00 C ATOM 621 O VAL A 44 1.731 -4.567 0.663 1.00 0.00 O ATOM 622 CB VAL A 44 2.577 -4.548 3.759 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.219 -3.105 4.084 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.868 -5.333 5.029 1.00 0.00 C ATOM 0 H VAL A 44 2.352 -6.657 1.730 1.00 0.00 H new ATOM 0 HA VAL A 44 0.555 -5.278 3.582 1.00 0.00 H new ATOM 0 HB VAL A 44 3.479 -4.545 3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.030 -2.648 4.651 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.066 -2.551 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.304 -3.082 4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.670 -4.845 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.971 -5.370 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.172 -6.347 4.768 1.00 0.00 H new ATOM 634 N LEU A 45 0.213 -3.432 1.876 1.00 0.00 N ATOM 635 CA LEU A 45 -0.172 -2.554 0.777 1.00 0.00 C ATOM 636 C LEU A 45 -0.005 -1.089 1.165 1.00 0.00 C ATOM 637 O LEU A 45 -0.470 -0.659 2.221 1.00 0.00 O ATOM 638 CB LEU A 45 -1.621 -2.824 0.367 1.00 0.00 C ATOM 639 CG LEU A 45 -2.253 -1.799 -0.576 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.592 -1.856 -1.945 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.752 -2.037 -0.695 1.00 0.00 C ATOM 0 H LEU A 45 -0.286 -3.258 2.749 1.00 0.00 H new ATOM 0 HA LEU A 45 0.483 -2.762 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.666 -3.803 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.229 -2.881 1.270 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.095 -0.804 -0.160 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.054 -1.120 -2.603 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.529 -1.637 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.719 -2.852 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.185 -1.299 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.931 -3.038 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.214 -1.945 0.288 1.00 0.00 H new ATOM 653 N SER A 46 0.659 -0.326 0.303 1.00 0.00 N ATOM 654 CA SER A 46 0.889 1.092 0.557 1.00 0.00 C ATOM 655 C SER A 46 0.270 1.948 -0.543 1.00 0.00 C ATOM 656 O SER A 46 0.263 1.567 -1.714 1.00 0.00 O ATOM 657 CB SER A 46 2.389 1.377 0.656 1.00 0.00 C ATOM 658 OG SER A 46 3.018 0.488 1.563 1.00 0.00 O ATOM 0 H SER A 46 1.047 -0.665 -0.577 1.00 0.00 H new ATOM 0 HA SER A 46 0.414 1.348 1.504 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.846 1.281 -0.329 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.546 2.405 0.982 1.00 0.00 H new ATOM 0 HG SER A 46 2.381 0.227 2.261 1.00 0.00 H new ATOM 664 N VAL A 47 -0.254 3.108 -0.158 1.00 0.00 N ATOM 665 CA VAL A 47 -0.875 4.020 -1.110 1.00 0.00 C ATOM 666 C VAL A 47 -0.674 5.472 -0.692 1.00 0.00 C ATOM 667 O VAL A 47 -0.896 5.833 0.465 1.00 0.00 O ATOM 668 CB VAL A 47 -2.384 3.741 -1.250 1.00 0.00 C ATOM 669 CG1 VAL A 47 -3.043 4.798 -2.124 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.618 2.349 -1.814 1.00 0.00 C ATOM 0 H VAL A 47 -0.260 3.438 0.807 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.391 3.852 -2.072 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.838 3.787 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -4.108 4.585 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.905 5.781 -1.673 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.588 4.787 -3.114 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.689 2.169 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.151 2.271 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.182 1.607 -1.145 1.00 0.00 H new ATOM 680 N LEU A 48 -0.254 6.302 -1.640 1.00 0.00 N ATOM 681 CA LEU A 48 -0.023 7.717 -1.370 1.00 0.00 C ATOM 682 C LEU A 48 -1.295 8.529 -1.596 1.00 0.00 C ATOM 683 O LEU A 48 -1.636 8.863 -2.729 1.00 0.00 O ATOM 684 CB LEU A 48 1.100 8.250 -2.262 1.00 0.00 C ATOM 685 CG LEU A 48 1.731 9.573 -1.828 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.454 9.410 -0.500 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.686 10.084 -2.897 1.00 0.00 C ATOM 0 H LEU A 48 -0.066 6.020 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 48 0.271 7.819 -0.325 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.885 7.496 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.708 8.371 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 48 0.936 10.307 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.897 10.362 -0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.745 9.090 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.239 8.661 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.126 11.027 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.477 9.351 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.140 10.241 -3.827 1.00 0.00 H new ATOM 699 N SER A 49 -1.989 8.844 -0.507 1.00 0.00 N ATOM 700 CA SER A 49 -3.224 9.615 -0.586 1.00 0.00 C ATOM 701 C SER A 49 -2.971 10.983 -1.212 1.00 0.00 C ATOM 702 O SER A 49 -1.856 11.501 -1.168 1.00 0.00 O ATOM 703 CB SER A 49 -3.836 9.784 0.807 1.00 0.00 C ATOM 704 OG SER A 49 -2.883 10.296 1.722 1.00 0.00 O ATOM 0 H SER A 49 -1.717 8.577 0.439 1.00 0.00 H new ATOM 0 HA SER A 49 -3.924 9.069 -1.218 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.692 10.457 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.208 8.824 1.164 1.00 0.00 H new ATOM 0 HG SER A 49 -3.312 10.954 2.307 1.00 0.00 H new ATOM 710 N ASP A 50 -4.016 11.563 -1.793 1.00 0.00 N ATOM 711 CA ASP A 50 -3.909 12.872 -2.427 1.00 0.00 C ATOM 712 C ASP A 50 -3.949 13.986 -1.385 1.00 0.00 C ATOM 713 O ASP A 50 -3.897 15.168 -1.725 1.00 0.00 O ATOM 714 CB ASP A 50 -5.037 13.065 -3.440 1.00 0.00 C ATOM 715 CG ASP A 50 -5.270 14.525 -3.779 1.00 0.00 C ATOM 716 OD1 ASP A 50 -6.035 15.189 -3.049 1.00 0.00 O ATOM 717 OD2 ASP A 50 -4.685 15.004 -4.772 1.00 0.00 O ATOM 0 H ASP A 50 -4.946 11.147 -1.838 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.952 12.919 -2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.800 12.517 -4.352 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.957 12.637 -3.041 1.00 0.00 H new ATOM 722 N GLN A 51 -4.041 13.599 -0.117 1.00 0.00 N ATOM 723 CA GLN A 51 -4.089 14.566 0.974 1.00 0.00 C ATOM 724 C GLN A 51 -2.714 14.736 1.611 1.00 0.00 C ATOM 725 O GLN A 51 -2.110 13.783 2.105 1.00 0.00 O ATOM 726 CB GLN A 51 -5.104 14.124 2.030 1.00 0.00 C ATOM 727 CG GLN A 51 -6.515 13.970 1.490 1.00 0.00 C ATOM 728 CD GLN A 51 -7.311 12.910 2.229 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.648 13.076 3.401 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.614 11.815 1.543 1.00 0.00 N ATOM 0 H GLN A 51 -4.084 12.624 0.180 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.399 15.527 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.782 13.174 2.457 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.112 14.852 2.841 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.034 14.926 1.563 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.469 13.712 0.432 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.313 11.721 0.573 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.148 11.067 1.986 1.00 0.00 H new ATOM 739 N PRO A 52 -2.206 15.978 1.602 1.00 0.00 N ATOM 740 CA PRO A 52 -0.897 16.301 2.176 1.00 0.00 C ATOM 741 C PRO A 52 -0.891 16.206 3.698 1.00 0.00 C ATOM 742 O PRO A 52 -1.910 16.440 4.349 1.00 0.00 O ATOM 743 CB PRO A 52 -0.662 17.747 1.730 1.00 0.00 C ATOM 744 CG PRO A 52 -2.028 18.305 1.519 1.00 0.00 C ATOM 745 CD PRO A 52 -2.871 17.160 1.030 1.00 0.00 C ATOM 0 HA PRO A 52 -0.125 15.607 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.116 18.311 2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.072 17.788 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.429 18.717 2.445 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.010 19.116 0.791 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.902 17.246 1.372 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.899 17.118 -0.059 1.00 0.00 H new ATOM 753 N LYS A 53 0.262 15.860 4.259 1.00 0.00 N ATOM 754 CA LYS A 53 0.402 15.734 5.706 1.00 0.00 C ATOM 755 C LYS A 53 -0.015 17.023 6.407 1.00 0.00 C ATOM 756 O LYS A 53 -0.893 17.015 7.270 1.00 0.00 O ATOM 757 CB LYS A 53 1.847 15.389 6.070 1.00 0.00 C ATOM 758 CG LYS A 53 2.178 13.914 5.916 1.00 0.00 C ATOM 759 CD LYS A 53 3.638 13.634 6.226 1.00 0.00 C ATOM 760 CE LYS A 53 3.905 13.659 7.723 1.00 0.00 C ATOM 761 NZ LYS A 53 4.177 15.039 8.215 1.00 0.00 N ATOM 0 H LYS A 53 1.114 15.662 3.734 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.253 14.930 6.041 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.520 15.971 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.035 15.689 7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.545 13.327 6.581 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.954 13.594 4.898 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.917 12.661 5.822 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.265 14.376 5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.045 13.248 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.756 13.018 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.097 15.060 8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.194 15.698 7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.430 15.324 8.880 1.00 0.00 H new ATOM 775 N ALA A 54 0.617 18.129 6.028 1.00 0.00 N ATOM 776 CA ALA A 54 0.307 19.426 6.618 1.00 0.00 C ATOM 777 C ALA A 54 -0.428 20.318 5.625 1.00 0.00 C ATOM 778 O ALA A 54 -1.396 20.992 5.979 1.00 0.00 O ATOM 779 CB ALA A 54 1.581 20.104 7.098 1.00 0.00 C ATOM 0 H ALA A 54 1.346 18.153 5.315 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.349 19.262 7.473 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.335 21.071 7.536 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.066 19.479 7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.256 20.249 6.255 1.00 0.00 H new ATOM 785 N GLY A 55 0.038 20.322 4.380 1.00 0.00 N ATOM 786 CA GLY A 55 -0.588 21.137 3.355 1.00 0.00 C ATOM 787 C GLY A 55 0.219 21.176 2.072 1.00 0.00 C ATOM 788 O GLY A 55 0.890 20.211 1.707 1.00 0.00 O ATOM 0 H GLY A 55 0.838 19.775 4.063 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.583 20.747 3.143 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.717 22.152 3.731 1.00 0.00 H new ATOM 792 N PRO A 56 0.157 22.313 1.365 1.00 0.00 N ATOM 793 CA PRO A 56 0.880 22.501 0.103 1.00 0.00 C ATOM 794 C PRO A 56 2.388 22.596 0.308 1.00 0.00 C ATOM 795 O PRO A 56 2.935 23.687 0.467 1.00 0.00 O ATOM 796 CB PRO A 56 0.328 23.827 -0.429 1.00 0.00 C ATOM 797 CG PRO A 56 -0.137 24.557 0.784 1.00 0.00 C ATOM 798 CD PRO A 56 -0.624 23.504 1.740 1.00 0.00 C ATOM 0 HA PRO A 56 0.738 21.661 -0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.095 24.390 -0.961 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.490 23.663 -1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.673 25.139 1.224 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.934 25.258 0.536 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.447 23.790 2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.695 23.331 1.635 1.00 0.00 H new ATOM 806 N GLY A 57 3.055 21.446 0.304 1.00 0.00 N ATOM 807 CA GLY A 57 4.495 21.423 0.492 1.00 0.00 C ATOM 808 C GLY A 57 4.971 20.153 1.167 1.00 0.00 C ATOM 809 O GLY A 57 6.085 19.692 0.922 1.00 0.00 O ATOM 0 H GLY A 57 2.625 20.530 0.174 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.986 21.522 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.794 22.283 1.091 1.00 0.00 H new ATOM 813 N SER A 58 4.125 19.588 2.024 1.00 0.00 N ATOM 814 CA SER A 58 4.468 18.366 2.743 1.00 0.00 C ATOM 815 C SER A 58 4.252 17.139 1.862 1.00 0.00 C ATOM 816 O SER A 58 3.446 17.145 0.932 1.00 0.00 O ATOM 817 CB SER A 58 3.631 18.248 4.017 1.00 0.00 C ATOM 818 OG SER A 58 2.247 18.346 3.730 1.00 0.00 O ATOM 0 H SER A 58 3.198 19.957 2.237 1.00 0.00 H new ATOM 0 HA SER A 58 5.523 18.416 3.013 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.838 17.295 4.504 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.917 19.033 4.717 1.00 0.00 H new ATOM 0 HG SER A 58 1.955 17.543 3.250 1.00 0.00 H new ATOM 824 N PRO A 59 4.989 16.059 2.163 1.00 0.00 N ATOM 825 CA PRO A 59 4.896 14.803 1.412 1.00 0.00 C ATOM 826 C PRO A 59 3.571 14.085 1.645 1.00 0.00 C ATOM 827 O PRO A 59 3.241 13.721 2.775 1.00 0.00 O ATOM 828 CB PRO A 59 6.059 13.974 1.962 1.00 0.00 C ATOM 829 CG PRO A 59 6.295 14.514 3.329 1.00 0.00 C ATOM 830 CD PRO A 59 5.969 15.980 3.258 1.00 0.00 C ATOM 0 HA PRO A 59 4.944 14.967 0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.809 12.913 1.993 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.947 14.074 1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.665 14.009 4.062 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.329 14.359 3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.553 16.345 4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.855 16.579 3.048 1.00 0.00 H new ATOM 838 N LEU A 60 2.816 13.883 0.571 1.00 0.00 N ATOM 839 CA LEU A 60 1.526 13.207 0.659 1.00 0.00 C ATOM 840 C LEU A 60 1.578 12.064 1.668 1.00 0.00 C ATOM 841 O LEU A 60 2.593 11.380 1.795 1.00 0.00 O ATOM 842 CB LEU A 60 1.114 12.671 -0.714 1.00 0.00 C ATOM 843 CG LEU A 60 0.675 13.717 -1.738 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.350 13.057 -3.069 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.524 14.499 -1.222 1.00 0.00 C ATOM 0 H LEU A 60 3.074 14.177 -0.371 1.00 0.00 H new ATOM 0 HA LEU A 60 0.786 13.932 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.953 12.113 -1.131 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.297 11.962 -0.575 1.00 0.00 H new ATOM 0 HG LEU A 60 1.499 14.414 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.039 13.817 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.234 12.543 -3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.457 12.337 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.823 15.239 -1.964 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.353 13.815 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.257 15.004 -0.294 1.00 0.00 H new ATOM 857 N ARG A 61 0.476 11.864 2.384 1.00 0.00 N ATOM 858 CA ARG A 61 0.396 10.804 3.382 1.00 0.00 C ATOM 859 C ARG A 61 0.413 9.430 2.718 1.00 0.00 C ATOM 860 O ARG A 61 -0.070 9.264 1.598 1.00 0.00 O ATOM 861 CB ARG A 61 -0.873 10.961 4.222 1.00 0.00 C ATOM 862 CG ARG A 61 -0.741 10.411 5.633 1.00 0.00 C ATOM 863 CD ARG A 61 -1.501 11.264 6.637 1.00 0.00 C ATOM 864 NE ARG A 61 -2.839 10.740 6.898 1.00 0.00 N ATOM 865 CZ ARG A 61 -3.903 11.042 6.162 1.00 0.00 C ATOM 866 NH1 ARG A 61 -3.786 11.861 5.126 1.00 0.00 N ATOM 867 NH2 ARG A 61 -5.088 10.524 6.463 1.00 0.00 N ATOM 0 H ARG A 61 -0.373 12.422 2.292 1.00 0.00 H new ATOM 0 HA ARG A 61 1.267 10.885 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.134 12.018 4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.697 10.454 3.719 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.118 9.389 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.312 10.370 5.912 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.941 11.310 7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.578 12.284 6.261 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.963 10.108 7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.877 12.261 4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.605 12.091 4.563 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.182 9.894 7.260 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.905 10.756 5.898 1.00 0.00 H new ATOM 881 N VAL A 62 0.972 8.447 3.418 1.00 0.00 N ATOM 882 CA VAL A 62 1.051 7.088 2.897 1.00 0.00 C ATOM 883 C VAL A 62 0.234 6.124 3.751 1.00 0.00 C ATOM 884 O VAL A 62 0.583 5.843 4.898 1.00 0.00 O ATOM 885 CB VAL A 62 2.508 6.594 2.837 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.573 5.190 2.256 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.363 7.556 2.026 1.00 0.00 C ATOM 0 H VAL A 62 1.376 8.567 4.347 1.00 0.00 H new ATOM 0 HA VAL A 62 0.641 7.112 1.887 1.00 0.00 H new ATOM 0 HB VAL A 62 2.904 6.559 3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.611 4.858 2.222 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.995 4.510 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.160 5.194 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.390 7.192 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.970 7.625 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.342 8.542 2.491 1.00 0.00 H new ATOM 897 N THR A 63 -0.857 5.619 3.184 1.00 0.00 N ATOM 898 CA THR A 63 -1.725 4.687 3.893 1.00 0.00 C ATOM 899 C THR A 63 -1.144 3.278 3.881 1.00 0.00 C ATOM 900 O THR A 63 -1.148 2.601 2.853 1.00 0.00 O ATOM 901 CB THR A 63 -3.136 4.653 3.275 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.738 5.949 3.357 1.00 0.00 O ATOM 903 CG2 THR A 63 -4.014 3.634 3.987 1.00 0.00 C ATOM 0 H THR A 63 -1.161 5.840 2.236 1.00 0.00 H new ATOM 0 HA THR A 63 -1.795 5.040 4.922 1.00 0.00 H new ATOM 0 HB THR A 63 -3.044 4.362 2.229 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.683 5.856 3.599 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.005 3.628 3.534 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.568 2.644 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.099 3.900 5.041 1.00 0.00 H new ATOM 911 N HIS A 64 -0.644 2.840 5.033 1.00 0.00 N ATOM 912 CA HIS A 64 -0.059 1.509 5.156 1.00 0.00 C ATOM 913 C HIS A 64 -1.077 0.518 5.712 1.00 0.00 C ATOM 914 O HIS A 64 -1.543 0.661 6.843 1.00 0.00 O ATOM 915 CB HIS A 64 1.174 1.552 6.059 1.00 0.00 C ATOM 916 CG HIS A 64 2.119 2.665 5.728 1.00 0.00 C ATOM 917 ND1 HIS A 64 2.910 2.671 4.598 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.399 3.815 6.386 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.635 3.775 4.576 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.343 4.487 5.649 1.00 0.00 N ATOM 0 H HIS A 64 -0.632 3.387 5.894 1.00 0.00 H new ATOM 0 HA HIS A 64 0.240 1.177 4.162 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.852 1.656 7.095 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.703 0.602 5.983 1.00 0.00 H new ATOM 0 HD1 HIS A 64 2.932 1.937 3.890 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.961 4.143 7.317 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.346 4.049 3.810 1.00 0.00 H new ATOM 929 N ILE A 65 -1.418 -0.486 4.910 1.00 0.00 N ATOM 930 CA ILE A 65 -2.380 -1.500 5.324 1.00 0.00 C ATOM 931 C ILE A 65 -1.770 -2.895 5.258 1.00 0.00 C ATOM 932 O ILE A 65 -1.305 -3.334 4.205 1.00 0.00 O ATOM 933 CB ILE A 65 -3.647 -1.464 4.448 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.258 -0.062 4.455 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.657 -2.491 4.936 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.091 0.241 3.230 1.00 0.00 C ATOM 0 H ILE A 65 -1.043 -0.619 3.971 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.654 -1.274 6.355 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.371 -1.714 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.879 0.050 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.457 0.674 4.531 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.547 -2.454 4.307 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.217 -3.487 4.884 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.932 -2.269 5.967 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.492 1.252 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.469 0.162 2.338 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.913 -0.472 3.164 1.00 0.00 H new ATOM 948 N LYS A 66 -1.775 -3.591 6.390 1.00 0.00 N ATOM 949 CA LYS A 66 -1.224 -4.940 6.462 1.00 0.00 C ATOM 950 C LYS A 66 -2.160 -5.945 5.799 1.00 0.00 C ATOM 951 O LYS A 66 -3.304 -6.117 6.221 1.00 0.00 O ATOM 952 CB LYS A 66 -0.984 -5.337 7.920 1.00 0.00 C ATOM 953 CG LYS A 66 0.387 -4.941 8.440 1.00 0.00 C ATOM 954 CD LYS A 66 0.408 -4.863 9.957 1.00 0.00 C ATOM 955 CE LYS A 66 0.009 -6.187 10.589 1.00 0.00 C ATOM 956 NZ LYS A 66 1.170 -7.109 10.725 1.00 0.00 N ATOM 0 H LYS A 66 -2.155 -3.243 7.271 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.274 -4.947 5.928 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -1.748 -4.874 8.544 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.103 -6.416 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.128 -5.665 8.102 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.671 -3.975 8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.406 -4.584 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.272 -4.079 10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.426 -6.004 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.762 -6.661 9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.875 -7.966 11.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.517 -7.371 9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.930 -6.635 11.254 1.00 0.00 H new ATOM 970 N VAL A 67 -1.666 -6.608 4.757 1.00 0.00 N ATOM 971 CA VAL A 67 -2.457 -7.598 4.036 1.00 0.00 C ATOM 972 C VAL A 67 -2.286 -8.986 4.643 1.00 0.00 C ATOM 973 O VAL A 67 -1.164 -9.461 4.825 1.00 0.00 O ATOM 974 CB VAL A 67 -2.069 -7.650 2.547 1.00 0.00 C ATOM 975 CG1 VAL A 67 -2.868 -8.725 1.824 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.277 -6.292 1.895 1.00 0.00 C ATOM 0 H VAL A 67 -0.722 -6.477 4.394 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.500 -7.293 4.122 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.012 -7.905 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.580 -8.747 0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.665 -9.696 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.932 -8.503 1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.998 -6.347 0.843 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.325 -6.005 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.657 -5.549 2.396 1.00 0.00 H new ATOM 986 N MET A 68 -3.405 -9.633 4.954 1.00 0.00 N ATOM 987 CA MET A 68 -3.377 -10.968 5.540 1.00 0.00 C ATOM 988 C MET A 68 -3.489 -12.038 4.458 1.00 0.00 C ATOM 989 O MET A 68 -3.771 -11.735 3.298 1.00 0.00 O ATOM 990 CB MET A 68 -4.514 -11.129 6.551 1.00 0.00 C ATOM 991 CG MET A 68 -4.169 -10.615 7.940 1.00 0.00 C ATOM 992 SD MET A 68 -5.503 -10.868 9.125 1.00 0.00 S ATOM 993 CE MET A 68 -6.754 -9.767 8.469 1.00 0.00 C ATOM 0 H MET A 68 -4.341 -9.255 4.810 1.00 0.00 H new ATOM 0 HA MET A 68 -2.424 -11.092 6.054 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.393 -10.599 6.184 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.782 -12.183 6.619 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.271 -11.119 8.297 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.936 -9.552 7.882 1.00 0.00 H new ATOM 0 HE1 MET A 68 -7.234 -9.232 9.289 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.289 -9.051 7.791 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.502 -10.347 7.928 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.264 -13.289 4.845 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.339 -14.404 3.907 1.00 0.00 C ATOM 1005 C CYS A 69 -4.105 -15.575 4.514 1.00 0.00 C ATOM 1006 O CYS A 69 -3.767 -16.057 5.594 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.934 -14.853 3.504 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.895 -16.381 2.538 1.00 0.00 S ATOM 0 H CYS A 69 -3.028 -13.557 5.801 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.873 -14.065 3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.462 -14.058 2.926 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.336 -14.990 4.405 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.943 -16.436 1.771 1.00 0.00 H new ATOM 1014 N GLU A 70 -5.142 -16.025 3.812 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.958 -17.136 4.285 1.00 0.00 C ATOM 1016 C GLU A 70 -5.760 -18.368 3.404 1.00 0.00 C ATOM 1017 O GLU A 70 -6.349 -18.477 2.330 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.435 -16.742 4.305 1.00 0.00 C ATOM 1019 CG GLU A 70 -8.276 -17.575 5.258 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.692 -18.904 4.659 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.534 -18.900 3.737 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -8.178 -19.947 5.113 1.00 0.00 O ATOM 0 H GLU A 70 -5.435 -15.637 2.915 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.642 -17.380 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.518 -15.692 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.841 -16.837 3.298 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.712 -17.754 6.173 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.167 -17.012 5.538 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.926 -19.293 3.869 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.665 -20.505 3.113 1.00 0.00 C ATOM 1031 C GLY A 71 -4.384 -20.224 1.650 1.00 0.00 C ATOM 1032 O GLY A 71 -5.021 -20.797 0.768 1.00 0.00 O ATOM 0 H GLY A 71 -4.426 -19.225 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.813 -21.026 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.523 -21.172 3.194 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.427 -19.338 1.392 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.081 -18.997 0.025 1.00 0.00 C ATOM 1038 C GLY A 72 -3.741 -17.713 -0.438 1.00 0.00 C ATOM 1039 O GLY A 72 -3.110 -16.885 -1.097 1.00 0.00 O ATOM 0 H GLY A 72 -2.885 -18.850 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.999 -18.896 -0.058 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.377 -19.812 -0.635 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.013 -17.545 -0.093 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.760 -16.354 -0.479 1.00 0.00 C ATOM 1045 C ARG A 73 -5.331 -15.149 0.355 1.00 0.00 C ATOM 1046 O ARG A 73 -4.517 -15.274 1.270 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.262 -16.591 -0.316 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.744 -17.892 -0.939 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.226 -17.835 -1.272 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.488 -17.031 -2.463 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.563 -17.183 -3.231 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.470 -18.102 -2.932 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -10.731 -16.413 -4.299 1.00 0.00 N ATOM 0 H ARG A 73 -5.548 -18.219 0.454 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.544 -16.145 -1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.508 -16.593 0.746 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.804 -15.759 -0.767 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.174 -18.096 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.556 -18.717 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.602 -18.846 -1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.772 -17.418 -0.426 1.00 0.00 H new ATOM 0 HE ARG A 73 -8.809 -16.314 -2.720 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.344 -18.695 -2.111 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.294 -18.217 -3.523 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.035 -15.704 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.556 -16.530 -4.888 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.885 -13.986 0.032 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.558 -12.760 0.749 1.00 0.00 C ATOM 1069 C TYR A 74 -6.824 -12.040 1.203 1.00 0.00 C ATOM 1070 O TYR A 74 -7.870 -12.132 0.560 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.721 -11.834 -0.136 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.362 -12.396 -0.486 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.464 -12.764 0.509 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.974 -12.557 -1.811 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.221 -13.277 0.194 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.734 -13.070 -2.135 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.861 -13.429 -1.128 1.00 0.00 C ATOM 1078 OH TYR A 74 0.377 -13.940 -1.447 1.00 0.00 O ATOM 0 H TYR A 74 -6.562 -13.867 -0.721 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.978 -13.030 1.632 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.269 -11.632 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.590 -10.879 0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.743 -12.647 1.546 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.655 -12.276 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.535 -13.558 0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.449 -13.190 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 74 1.074 -13.318 -1.150 1.00 0.00 H new ATOM 1088 N THR A 75 -6.722 -11.323 2.317 1.00 0.00 N ATOM 1089 CA THR A 75 -7.858 -10.587 2.860 1.00 0.00 C ATOM 1090 C THR A 75 -7.395 -9.423 3.728 1.00 0.00 C ATOM 1091 O THR A 75 -6.297 -9.448 4.285 1.00 0.00 O ATOM 1092 CB THR A 75 -8.773 -11.503 3.695 1.00 0.00 C ATOM 1093 OG1 THR A 75 -9.934 -10.780 4.118 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.034 -12.043 4.910 1.00 0.00 C ATOM 0 H THR A 75 -5.864 -11.236 2.862 1.00 0.00 H new ATOM 0 HA THR A 75 -8.420 -10.201 2.010 1.00 0.00 H new ATOM 0 HB THR A 75 -9.077 -12.344 3.071 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.488 -11.355 4.687 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.700 -12.687 5.484 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.167 -12.617 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.705 -11.212 5.534 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.238 -8.402 3.840 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.915 -7.228 4.642 1.00 0.00 C ATOM 1104 C VAL A 76 -8.935 -7.028 5.758 1.00 0.00 C ATOM 1105 O VAL A 76 -9.908 -6.292 5.598 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.861 -5.955 3.776 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.647 -5.983 2.860 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.143 -5.802 2.973 1.00 0.00 C ATOM 0 H VAL A 76 -9.150 -8.364 3.385 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.932 -7.403 5.079 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.768 -5.092 4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.626 -5.076 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.739 -6.040 3.461 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.705 -6.853 2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.087 -4.898 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.270 -6.667 2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.992 -5.731 3.653 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.704 -7.688 6.888 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.611 -7.570 8.015 1.00 0.00 C ATOM 1120 C GLY A 77 -11.053 -7.837 7.630 1.00 0.00 C ATOM 1121 O GLY A 77 -11.976 -7.416 8.324 1.00 0.00 O ATOM 0 H GLY A 77 -7.905 -8.303 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.311 -8.271 8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.531 -6.569 8.439 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.246 -8.540 6.517 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.588 -8.849 6.059 1.00 0.00 C ATOM 1127 C GLY A 78 -12.806 -10.337 5.867 1.00 0.00 C ATOM 1128 O GLY A 78 -11.857 -11.086 5.632 1.00 0.00 O ATOM 0 H GLY A 78 -10.497 -8.900 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.311 -8.469 6.780 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.775 -8.333 5.117 1.00 0.00 H new ATOM 1132 N LEU A 79 -14.059 -10.767 5.970 1.00 0.00 N ATOM 1133 CA LEU A 79 -14.399 -12.176 5.807 1.00 0.00 C ATOM 1134 C LEU A 79 -14.231 -12.613 4.356 1.00 0.00 C ATOM 1135 O LEU A 79 -14.285 -13.803 4.047 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.837 -12.429 6.264 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.023 -12.746 7.749 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -15.768 -11.509 8.595 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.421 -13.292 8.006 1.00 0.00 C ATOM 0 H LEU A 79 -14.856 -10.161 6.165 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.718 -12.762 6.424 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.434 -11.549 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.242 -13.258 5.683 1.00 0.00 H new ATOM 0 HG LEU A 79 -15.298 -13.509 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.905 -11.754 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.748 -11.161 8.433 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.468 -10.723 8.311 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.536 -13.512 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -18.162 -12.551 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.567 -14.205 7.428 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.024 -11.643 3.471 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.845 -11.929 2.053 1.00 0.00 C ATOM 1153 C GLU A 80 -12.423 -12.405 1.768 1.00 0.00 C ATOM 1154 O GLU A 80 -11.597 -12.508 2.675 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.155 -10.686 1.216 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.615 -10.575 0.810 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.910 -11.268 -0.507 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.123 -11.091 -1.459 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -16.927 -11.988 -0.582 1.00 0.00 O ATOM 0 H GLU A 80 -13.976 -10.653 3.711 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.538 -12.725 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.875 -9.798 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.537 -10.699 0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.239 -11.008 1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.887 -9.522 0.731 1.00 0.00 H new ATOM 1166 N THR A 81 -12.144 -12.695 0.501 1.00 0.00 N ATOM 1167 CA THR A 81 -10.825 -13.161 0.096 1.00 0.00 C ATOM 1168 C THR A 81 -10.568 -12.873 -1.379 1.00 0.00 C ATOM 1169 O THR A 81 -11.472 -12.461 -2.108 1.00 0.00 O ATOM 1170 CB THR A 81 -10.662 -14.672 0.348 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.476 -15.412 -0.569 1.00 0.00 O ATOM 1172 CG2 THR A 81 -11.044 -15.028 1.776 1.00 0.00 C ATOM 0 H THR A 81 -12.815 -12.615 -0.263 1.00 0.00 H new ATOM 0 HA THR A 81 -10.099 -12.618 0.701 1.00 0.00 H new ATOM 0 HB THR A 81 -9.615 -14.932 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.623 -16.316 -0.220 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.921 -16.100 1.929 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.402 -14.486 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.084 -14.754 1.954 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.332 -13.092 -1.814 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.956 -12.855 -3.204 1.00 0.00 C ATOM 1182 C PHE A 82 -7.885 -13.844 -3.653 1.00 0.00 C ATOM 1183 O PHE A 82 -6.958 -14.155 -2.905 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.449 -11.422 -3.379 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.419 -10.380 -2.900 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.486 -10.043 -1.558 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.263 -9.738 -3.792 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.379 -9.085 -1.115 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.157 -8.778 -3.354 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.214 -8.451 -2.014 1.00 0.00 C ATOM 0 H PHE A 82 -8.573 -13.433 -1.224 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.841 -12.998 -3.824 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.510 -11.309 -2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.232 -11.248 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -8.834 -10.534 -0.851 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.222 -9.990 -4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.424 -8.832 -0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.810 -8.285 -4.059 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.910 -7.701 -1.669 1.00 0.00 H new ATOM 1200 N ASP A 83 -8.022 -14.336 -4.880 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.066 -15.290 -5.431 1.00 0.00 C ATOM 1202 C ASP A 83 -5.637 -14.895 -5.074 1.00 0.00 C ATOM 1203 O ASP A 83 -4.883 -15.692 -4.517 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.221 -15.378 -6.951 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.389 -16.250 -7.364 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -8.668 -17.242 -6.660 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -9.026 -15.939 -8.393 1.00 0.00 O ATOM 0 H ASP A 83 -8.785 -14.090 -5.511 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.272 -16.268 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.358 -14.376 -7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.303 -15.776 -7.384 1.00 0.00 H new ATOM 1212 N SER A 84 -5.270 -13.660 -5.402 1.00 0.00 N ATOM 1213 CA SER A 84 -3.929 -13.162 -5.120 1.00 0.00 C ATOM 1214 C SER A 84 -3.918 -11.637 -5.061 1.00 0.00 C ATOM 1215 O SER A 84 -4.959 -10.991 -5.191 1.00 0.00 O ATOM 1216 CB SER A 84 -2.946 -13.648 -6.187 1.00 0.00 C ATOM 1217 OG SER A 84 -2.463 -14.945 -5.881 1.00 0.00 O ATOM 0 H SER A 84 -5.882 -12.987 -5.863 1.00 0.00 H new ATOM 0 HA SER A 84 -3.621 -13.550 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.437 -13.659 -7.160 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.110 -12.953 -6.260 1.00 0.00 H new ATOM 0 HG SER A 84 -3.112 -15.410 -5.313 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.734 -11.068 -4.863 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.585 -9.619 -4.786 1.00 0.00 C ATOM 1225 C LEU A 85 -3.250 -8.938 -5.978 1.00 0.00 C ATOM 1226 O LEU A 85 -3.773 -7.830 -5.863 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.104 -9.241 -4.729 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.482 -9.174 -3.335 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.202 -8.146 -2.477 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.514 -10.542 -2.670 1.00 0.00 C ATOM 0 H LEU A 85 -1.863 -11.588 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.077 -9.276 -3.875 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.542 -9.963 -5.321 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.979 -8.270 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 85 0.559 -8.866 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.745 -8.113 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.126 -7.164 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.252 -8.423 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.067 -10.475 -1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.547 -10.879 -2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.049 -11.254 -3.274 1.00 0.00 H new ATOM 1242 N THR A 86 -3.229 -9.611 -7.125 1.00 0.00 N ATOM 1243 CA THR A 86 -3.829 -9.073 -8.339 1.00 0.00 C ATOM 1244 C THR A 86 -5.342 -8.946 -8.193 1.00 0.00 C ATOM 1245 O THR A 86 -5.908 -7.875 -8.414 1.00 0.00 O ATOM 1246 CB THR A 86 -3.515 -9.957 -9.561 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.098 -10.063 -9.737 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.146 -9.382 -10.820 1.00 0.00 C ATOM 0 H THR A 86 -2.802 -10.531 -7.238 1.00 0.00 H new ATOM 0 HA THR A 86 -3.396 -8.085 -8.495 1.00 0.00 H new ATOM 0 HB THR A 86 -3.934 -10.948 -9.383 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.666 -9.243 -9.417 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.911 -10.023 -11.670 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.227 -9.329 -10.693 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.752 -8.382 -11.000 1.00 0.00 H new ATOM 1256 N ASP A 87 -5.990 -10.043 -7.820 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.438 -10.055 -7.644 1.00 0.00 C ATOM 1258 C ASP A 87 -7.855 -9.106 -6.523 1.00 0.00 C ATOM 1259 O ASP A 87 -8.881 -8.432 -6.617 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.925 -11.471 -7.338 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.419 -11.626 -7.540 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -9.837 -11.925 -8.679 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.172 -11.448 -6.559 1.00 0.00 O ATOM 0 H ASP A 87 -5.536 -10.937 -7.633 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.896 -9.716 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.399 -12.179 -7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.672 -11.724 -6.308 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.054 -9.061 -5.465 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.340 -8.197 -4.325 1.00 0.00 C ATOM 1270 C LEU A 88 -7.192 -6.727 -4.706 1.00 0.00 C ATOM 1271 O LEU A 88 -8.167 -5.976 -4.716 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.408 -8.531 -3.159 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.736 -7.860 -1.824 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.304 -8.743 -0.663 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.070 -6.496 -1.735 1.00 0.00 C ATOM 0 H LEU A 88 -6.201 -9.613 -5.372 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.371 -8.372 -4.018 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.416 -9.611 -3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.392 -8.255 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.815 -7.719 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.545 -8.250 0.279 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.828 -9.697 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.229 -8.915 -0.717 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.314 -6.033 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.989 -6.613 -1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.428 -5.863 -2.546 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.965 -6.323 -5.019 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.689 -4.945 -5.404 1.00 0.00 C ATOM 1289 C VAL A 89 -6.634 -4.481 -6.506 1.00 0.00 C ATOM 1290 O VAL A 89 -7.321 -3.471 -6.364 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.235 -4.777 -5.884 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.986 -3.348 -6.345 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.261 -5.169 -4.783 1.00 0.00 C ATOM 0 H VAL A 89 -5.146 -6.931 -5.013 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.844 -4.332 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.073 -5.441 -6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.954 -3.249 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.660 -3.109 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.166 -2.662 -5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.239 -5.044 -5.140 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.421 -4.534 -3.912 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.424 -6.211 -4.507 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.664 -5.230 -7.605 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.525 -4.894 -8.732 1.00 0.00 C ATOM 1305 C GLU A 90 -8.931 -4.542 -8.257 1.00 0.00 C ATOM 1306 O GLU A 90 -9.475 -3.495 -8.611 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.587 -6.061 -9.721 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.312 -6.243 -10.527 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.276 -5.370 -11.766 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.307 -5.294 -12.468 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -5.218 -4.764 -12.035 1.00 0.00 O ATOM 0 H GLU A 90 -6.103 -6.071 -7.738 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.101 -4.024 -9.233 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.795 -6.980 -9.173 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.420 -5.902 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.453 -6.010 -9.898 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.218 -7.288 -10.821 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.516 -5.424 -7.453 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.859 -5.207 -6.927 1.00 0.00 C ATOM 1320 C HIS A 91 -10.916 -3.936 -6.085 1.00 0.00 C ATOM 1321 O HIS A 91 -11.983 -3.357 -5.887 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.303 -6.408 -6.091 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.607 -6.196 -5.383 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.904 -5.490 -4.268 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.795 -6.747 -5.815 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.253 -5.626 -4.047 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.767 -6.388 -4.995 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.081 -6.296 -7.151 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.538 -5.091 -7.772 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.389 -7.280 -6.739 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.531 -6.633 -5.355 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.913 -7.374 -6.687 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.804 -5.182 -3.231 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.748 -6.654 -5.080 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.758 -3.509 -5.591 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.675 -2.308 -4.767 1.00 0.00 C ATOM 1338 C PHE A 92 -9.348 -1.085 -5.621 1.00 0.00 C ATOM 1339 O PHE A 92 -9.537 0.054 -5.193 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.614 -2.483 -3.679 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.162 -3.024 -2.389 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.239 -2.412 -1.768 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.600 -4.145 -1.799 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.744 -2.909 -0.581 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.101 -4.646 -0.613 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.176 -4.027 -0.003 1.00 0.00 C ATOM 0 H PHE A 92 -8.865 -3.976 -5.747 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.646 -2.152 -4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.837 -3.155 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.139 -1.521 -3.488 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.688 -1.538 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.760 -4.633 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.583 -2.423 -0.106 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.653 -5.520 -0.163 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.571 -4.417 0.924 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.857 -1.331 -6.830 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.504 -0.251 -7.746 1.00 0.00 C ATOM 1358 C LYS A 93 -9.754 0.392 -8.337 1.00 0.00 C ATOM 1359 O LYS A 93 -9.713 1.523 -8.821 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.611 -0.781 -8.871 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.292 -1.353 -8.381 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.200 -1.209 -9.429 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.320 -2.275 -10.508 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.523 -1.929 -11.718 1.00 0.00 N ATOM 0 H LYS A 93 -8.694 -2.268 -7.199 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.959 0.506 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.151 -1.553 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.408 0.027 -9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.990 -0.843 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.421 -2.406 -8.131 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.259 -0.220 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.223 -1.282 -8.951 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.982 -3.233 -10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.367 -2.396 -10.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.434 -2.768 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -5.001 -1.169 -12.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.577 -1.608 -11.430 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.867 -0.334 -8.291 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.130 0.167 -8.818 1.00 0.00 C ATOM 1380 C LYS A 94 -13.068 0.575 -7.686 1.00 0.00 C ATOM 1381 O LYS A 94 -13.775 1.579 -7.782 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.799 -0.898 -9.691 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.834 -2.275 -9.051 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.437 -3.309 -9.988 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.139 -4.416 -9.218 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.544 -4.057 -8.886 1.00 0.00 N ATOM 0 H LYS A 94 -10.919 -1.272 -7.894 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.919 1.047 -9.426 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.819 -0.584 -9.915 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.269 -0.962 -10.642 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.823 -2.576 -8.777 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.415 -2.235 -8.130 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.147 -2.824 -10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.652 -3.739 -10.611 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.128 -5.332 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.591 -4.623 -8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.987 -4.838 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.554 -3.197 -8.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.075 -3.884 -9.764 1.00 0.00 H new ATOM 1400 N THR A 95 -13.070 -0.210 -6.613 1.00 0.00 N ATOM 1401 CA THR A 95 -13.920 0.071 -5.462 1.00 0.00 C ATOM 1402 C THR A 95 -13.231 1.018 -4.487 1.00 0.00 C ATOM 1403 O THR A 95 -13.725 2.112 -4.217 1.00 0.00 O ATOM 1404 CB THR A 95 -14.303 -1.224 -4.719 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.123 -1.900 -4.274 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.114 -2.144 -5.619 1.00 0.00 C ATOM 0 H THR A 95 -12.493 -1.045 -6.517 1.00 0.00 H new ATOM 0 HA THR A 95 -14.824 0.544 -5.844 1.00 0.00 H new ATOM 0 HB THR A 95 -14.914 -0.956 -3.857 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.973 -2.694 -4.828 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.373 -3.051 -5.073 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.026 -1.636 -5.931 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.525 -2.405 -6.498 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.087 0.591 -3.962 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.349 1.416 -3.023 1.00 0.00 C ATOM 1416 C GLY A 96 -11.489 0.931 -1.593 1.00 0.00 C ATOM 1417 O GLY A 96 -12.473 0.279 -1.245 1.00 0.00 O ATOM 0 H GLY A 96 -11.658 -0.311 -4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.295 1.423 -3.300 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.703 2.445 -3.091 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.500 1.250 -0.764 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.518 0.842 0.636 1.00 0.00 C ATOM 1423 C ILE A 97 -11.058 1.956 1.526 1.00 0.00 C ATOM 1424 O ILE A 97 -10.831 3.138 1.265 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.112 0.447 1.125 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.559 -0.701 0.277 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.153 0.055 2.594 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.050 -0.692 0.160 1.00 0.00 C ATOM 0 H ILE A 97 -9.678 1.789 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.175 -0.025 0.704 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.450 1.306 1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.876 -1.649 0.712 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.993 -0.647 -0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.152 -0.222 2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.511 0.898 3.186 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.826 -0.792 2.726 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.728 -1.533 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.726 0.240 -0.303 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.608 -0.777 1.153 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.774 1.571 2.579 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.345 2.538 3.509 1.00 0.00 C ATOM 1442 C GLU A 98 -11.704 2.412 4.887 1.00 0.00 C ATOM 1443 O GLU A 98 -12.030 1.506 5.653 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.858 2.341 3.617 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.473 3.006 4.838 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.989 2.975 4.818 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.557 1.868 4.715 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.605 4.056 4.906 1.00 0.00 O ATOM 0 H GLU A 98 -11.972 0.597 2.809 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.142 3.538 3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.333 2.738 2.720 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.076 1.273 3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.115 2.506 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.135 4.041 4.892 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.790 3.327 5.195 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.102 3.317 6.480 1.00 0.00 C ATOM 1457 C GLU A 99 -11.053 3.706 7.609 1.00 0.00 C ATOM 1458 O GLU A 99 -11.902 4.581 7.446 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.908 4.273 6.453 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.879 3.931 5.389 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.814 5.000 5.242 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.215 5.384 6.268 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.580 5.453 4.102 1.00 0.00 O ATOM 0 H GLU A 99 -10.509 4.084 4.572 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.743 2.304 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.269 5.287 6.284 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.425 4.265 7.430 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.404 2.983 5.640 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.383 3.792 4.433 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.904 3.046 8.754 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.748 3.324 9.910 1.00 0.00 C ATOM 1472 C ALA A 100 -11.898 4.824 10.133 1.00 0.00 C ATOM 1473 O ALA A 100 -13.011 5.350 10.158 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.174 2.657 11.152 1.00 0.00 C ATOM 0 H ALA A 100 -10.208 2.316 8.905 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.739 2.913 9.714 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.813 2.872 12.009 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.126 1.579 10.997 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.172 3.042 11.341 1.00 0.00 H new ATOM 1480 N SER A 101 -10.770 5.510 10.295 1.00 0.00 N ATOM 1481 CA SER A 101 -10.777 6.950 10.522 1.00 0.00 C ATOM 1482 C SER A 101 -11.829 7.631 9.651 1.00 0.00 C ATOM 1483 O SER A 101 -12.354 8.688 10.003 1.00 0.00 O ATOM 1484 CB SER A 101 -9.397 7.540 10.229 1.00 0.00 C ATOM 1485 OG SER A 101 -8.439 7.091 11.173 1.00 0.00 O ATOM 0 H SER A 101 -9.840 5.091 10.273 1.00 0.00 H new ATOM 0 HA SER A 101 -11.025 7.128 11.568 1.00 0.00 H new ATOM 0 HB2 SER A 101 -9.083 7.257 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.451 8.628 10.251 1.00 0.00 H new ATOM 0 HG SER A 101 -7.565 7.481 10.963 1.00 0.00 H new ATOM 1491 N GLY A 102 -12.131 7.018 8.511 1.00 0.00 N ATOM 1492 CA GLY A 102 -13.119 7.580 7.606 1.00 0.00 C ATOM 1493 C GLY A 102 -12.502 8.090 6.319 1.00 0.00 C ATOM 1494 O GLY A 102 -12.980 9.063 5.738 1.00 0.00 O ATOM 0 H GLY A 102 -11.710 6.143 8.197 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.866 6.821 7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.640 8.397 8.104 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.436 7.432 5.874 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.753 7.825 4.647 1.00 0.00 C ATOM 1500 C ALA A 103 -10.949 6.782 3.553 1.00 0.00 C ATOM 1501 O ALA A 103 -11.173 5.604 3.835 1.00 0.00 O ATOM 1502 CB ALA A 103 -9.271 8.041 4.915 1.00 0.00 C ATOM 0 H ALA A 103 -11.027 6.625 6.345 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.188 8.762 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.773 8.334 3.991 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.147 8.828 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.830 7.116 5.287 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.863 7.220 2.301 1.00 0.00 N ATOM 1509 CA PHE A 104 -11.032 6.325 1.163 1.00 0.00 C ATOM 1510 C PHE A 104 -9.822 6.388 0.237 1.00 0.00 C ATOM 1511 O PHE A 104 -9.621 7.373 -0.475 1.00 0.00 O ATOM 1512 CB PHE A 104 -12.302 6.685 0.388 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.521 5.940 0.853 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.850 4.712 0.303 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.335 6.467 1.842 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.971 4.025 0.729 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.457 5.784 2.273 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.775 4.561 1.716 1.00 0.00 C ATOM 0 H PHE A 104 -10.677 8.191 2.049 1.00 0.00 H new ATOM 0 HA PHE A 104 -11.123 5.308 1.543 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.483 7.756 0.481 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.142 6.479 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.224 4.287 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -14.090 7.423 2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.218 3.070 0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -16.084 6.206 3.044 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.650 4.025 2.051 1.00 0.00 H new ATOM 1528 N VAL A 105 -9.016 5.331 0.251 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.826 5.264 -0.588 1.00 0.00 C ATOM 1530 C VAL A 105 -8.180 4.861 -2.014 1.00 0.00 C ATOM 1531 O VAL A 105 -9.054 4.022 -2.234 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.797 4.267 -0.023 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.663 4.052 -1.014 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.262 4.753 1.315 1.00 0.00 C ATOM 0 H VAL A 105 -9.166 4.508 0.835 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.387 6.262 -0.595 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.294 3.310 0.137 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.945 3.345 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.065 3.655 -1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.165 5.002 -1.209 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.536 4.036 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.780 5.722 1.184 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.085 4.850 2.023 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.497 5.463 -2.980 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.740 5.168 -4.387 1.00 0.00 C ATOM 1546 C TYR A 106 -6.455 4.725 -5.082 1.00 0.00 C ATOM 1547 O TYR A 106 -5.401 5.337 -4.910 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.319 6.394 -5.095 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.595 6.908 -4.469 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.491 6.039 -3.857 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.908 8.261 -4.492 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.659 6.504 -3.284 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -11.073 8.736 -3.921 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.946 7.853 -3.319 1.00 0.00 C ATOM 1555 OH TYR A 106 -13.108 8.321 -2.750 1.00 0.00 O ATOM 0 H TYR A 106 -6.770 6.159 -2.815 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.460 4.352 -4.441 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.575 7.191 -5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.511 6.144 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.270 4.982 -3.829 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.228 8.954 -4.965 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.344 5.815 -2.811 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -11.299 9.792 -3.946 1.00 0.00 H new ATOM 0 HH TYR A 106 -13.157 9.294 -2.860 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.552 3.658 -5.866 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.400 3.131 -6.588 1.00 0.00 C ATOM 1567 C LEU A 107 -5.557 3.339 -8.091 1.00 0.00 C ATOM 1568 O LEU A 107 -6.218 2.553 -8.771 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.218 1.643 -6.284 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.426 1.226 -4.828 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.880 0.853 -4.582 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.509 0.066 -4.469 1.00 0.00 C ATOM 0 H LEU A 107 -7.417 3.140 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.515 3.674 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.912 1.078 -6.906 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.212 1.352 -6.584 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.176 2.073 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.009 0.559 -3.540 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.517 1.710 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.157 0.022 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.671 -0.217 -3.429 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.728 -0.784 -5.115 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.470 0.367 -4.605 1.00 0.00 H new ATOM 1584 N ARG A 108 -4.944 4.401 -8.603 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.016 4.712 -10.026 1.00 0.00 C ATOM 1586 C ARG A 108 -3.857 4.067 -10.782 1.00 0.00 C ATOM 1587 O ARG A 108 -4.062 3.402 -11.798 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.998 6.227 -10.241 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.130 6.955 -9.536 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.522 8.224 -10.276 1.00 0.00 C ATOM 1591 NE ARG A 108 -7.082 7.938 -11.594 1.00 0.00 N ATOM 1592 CZ ARG A 108 -8.299 7.439 -11.784 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -9.079 7.173 -10.746 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -8.736 7.206 -13.015 1.00 0.00 N ATOM 0 H ARG A 108 -4.392 5.060 -8.054 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.951 4.308 -10.414 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.046 6.624 -9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.054 6.435 -11.310 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.995 6.296 -9.458 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.826 7.204 -8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.251 8.778 -9.685 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.647 8.865 -10.385 1.00 0.00 H new ATOM 0 HE ARG A 108 -6.507 8.132 -12.414 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -8.746 7.351 -9.799 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.013 6.790 -10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -8.138 7.410 -13.816 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -9.670 6.823 -13.161 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.644 4.268 -10.279 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.454 3.707 -10.908 1.00 0.00 C ATOM 1610 C GLN A 109 -0.476 3.192 -9.858 1.00 0.00 C ATOM 1611 O GLN A 109 -0.322 3.767 -8.781 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.772 4.757 -11.786 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.191 5.922 -11.001 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.211 7.009 -10.729 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.116 7.244 -11.532 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.073 7.681 -9.592 1.00 0.00 N ATOM 0 H GLN A 109 -2.459 4.815 -9.438 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.764 2.869 -11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.025 4.280 -12.356 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.494 5.140 -12.507 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.205 5.555 -10.054 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.647 6.346 -11.554 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.309 7.454 -8.955 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.731 8.424 -9.356 1.00 0.00 H new ATOM 1625 N PRO A 110 0.204 2.080 -10.178 1.00 0.00 N ATOM 1626 CA PRO A 110 1.180 1.462 -9.275 1.00 0.00 C ATOM 1627 C PRO A 110 2.440 2.305 -9.119 1.00 0.00 C ATOM 1628 O PRO A 110 2.455 3.487 -9.466 1.00 0.00 O ATOM 1629 CB PRO A 110 1.507 0.133 -9.961 1.00 0.00 C ATOM 1630 CG PRO A 110 1.222 0.372 -11.404 1.00 0.00 C ATOM 1631 CD PRO A 110 0.072 1.340 -11.444 1.00 0.00 C ATOM 0 HA PRO A 110 0.786 1.350 -8.265 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.548 -0.148 -9.804 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.895 -0.678 -9.566 1.00 0.00 H new ATOM 0 HG2 PRO A 110 2.095 0.782 -11.912 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.967 -0.559 -11.911 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.136 2.004 -12.306 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.886 0.824 -11.510 1.00 0.00 H new ATOM 1639 N TYR A 111 3.497 1.692 -8.597 1.00 0.00 N ATOM 1640 CA TYR A 111 4.762 2.387 -8.394 1.00 0.00 C ATOM 1641 C TYR A 111 5.937 1.521 -8.838 1.00 0.00 C ATOM 1642 O TYR A 111 6.101 0.392 -8.375 1.00 0.00 O ATOM 1643 CB TYR A 111 4.926 2.773 -6.923 1.00 0.00 C ATOM 1644 CG TYR A 111 6.257 3.418 -6.611 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.456 4.778 -6.810 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.317 2.665 -6.117 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.672 5.370 -6.526 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.534 3.249 -5.830 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.708 4.603 -6.036 1.00 0.00 C ATOM 1650 OH TYR A 111 9.920 5.188 -5.752 1.00 0.00 O ATOM 0 H TYR A 111 3.502 0.714 -8.307 1.00 0.00 H new ATOM 0 HA TYR A 111 4.751 3.292 -9.001 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.126 3.458 -6.645 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.811 1.881 -6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.647 5.383 -7.193 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.185 1.605 -5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.810 6.429 -6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.346 2.650 -5.446 1.00 0.00 H new ATOM 0 HH TYR A 111 9.782 5.954 -5.156 1.00 0.00 H new ATOM 1660 N TYR A 112 6.752 2.059 -9.739 1.00 0.00 N ATOM 1661 CA TYR A 112 7.911 1.336 -10.248 1.00 0.00 C ATOM 1662 C TYR A 112 9.209 1.967 -9.751 1.00 0.00 C ATOM 1663 O TYR A 112 9.380 3.184 -9.807 1.00 0.00 O ATOM 1664 CB TYR A 112 7.895 1.315 -11.777 1.00 0.00 C ATOM 1665 CG TYR A 112 6.530 1.036 -12.364 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.777 -0.051 -11.936 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.993 1.857 -13.347 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.529 -0.310 -12.469 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.745 1.606 -13.886 1.00 0.00 C ATOM 1670 CZ TYR A 112 4.018 0.520 -13.444 1.00 0.00 C ATOM 1671 OH TYR A 112 2.775 0.266 -13.978 1.00 0.00 O ATOM 0 H TYR A 112 6.631 2.993 -10.131 1.00 0.00 H new ATOM 0 HA TYR A 112 7.860 0.313 -9.877 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.252 2.275 -12.149 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.595 0.557 -12.129 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.174 -0.705 -11.174 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.561 2.707 -13.697 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.957 -1.158 -12.124 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.342 2.256 -14.648 1.00 0.00 H new ATOM 0 HH TYR A 112 2.563 0.946 -14.652 1.00 0.00 H new ATOM 1681 N SER A 113 10.118 1.129 -9.265 1.00 0.00 N ATOM 1682 CA SER A 113 11.399 1.604 -8.755 1.00 0.00 C ATOM 1683 C SER A 113 12.385 1.841 -9.896 1.00 0.00 C ATOM 1684 O SER A 113 12.600 0.968 -10.736 1.00 0.00 O ATOM 1685 CB SER A 113 11.983 0.595 -7.763 1.00 0.00 C ATOM 1686 OG SER A 113 12.077 -0.694 -8.343 1.00 0.00 O ATOM 0 H SER A 113 9.992 0.118 -9.213 1.00 0.00 H new ATOM 0 HA SER A 113 11.229 2.551 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.971 0.926 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.356 0.552 -6.872 1.00 0.00 H new ATOM 0 HG SER A 113 12.273 -0.609 -9.299 1.00 0.00 H new ATOM 1692 N GLY A 114 12.980 3.029 -9.918 1.00 0.00 N ATOM 1693 CA GLY A 114 13.935 3.360 -10.959 1.00 0.00 C ATOM 1694 C GLY A 114 15.327 3.607 -10.412 1.00 0.00 C ATOM 1695 O GLY A 114 15.542 3.652 -9.201 1.00 0.00 O ATOM 0 H GLY A 114 12.818 3.768 -9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 114 13.972 2.548 -11.685 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.594 4.248 -11.491 1.00 0.00 H new ATOM 1699 N PRO A 115 16.303 3.772 -11.317 1.00 0.00 N ATOM 1700 CA PRO A 115 17.698 4.017 -10.943 1.00 0.00 C ATOM 1701 C PRO A 115 17.899 5.399 -10.330 1.00 0.00 C ATOM 1702 O PRO A 115 16.944 6.151 -10.144 1.00 0.00 O ATOM 1703 CB PRO A 115 18.448 3.906 -12.272 1.00 0.00 C ATOM 1704 CG PRO A 115 17.431 4.238 -13.309 1.00 0.00 C ATOM 1705 CD PRO A 115 16.118 3.731 -12.779 1.00 0.00 C ATOM 0 HA PRO A 115 18.045 3.316 -10.184 1.00 0.00 H new ATOM 0 HB2 PRO A 115 19.291 4.595 -12.310 1.00 0.00 H new ATOM 0 HB3 PRO A 115 18.849 2.903 -12.418 1.00 0.00 H new ATOM 0 HG2 PRO A 115 17.391 5.313 -13.487 1.00 0.00 H new ATOM 0 HG3 PRO A 115 17.676 3.766 -14.261 1.00 0.00 H new ATOM 0 HD2 PRO A 115 15.286 4.360 -13.097 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.906 2.721 -13.129 1.00 0.00 H new ATOM 1713 N SER A 116 19.150 5.726 -10.018 1.00 0.00 N ATOM 1714 CA SER A 116 19.476 7.018 -9.424 1.00 0.00 C ATOM 1715 C SER A 116 19.854 8.031 -10.500 1.00 0.00 C ATOM 1716 O SER A 116 19.381 9.167 -10.492 1.00 0.00 O ATOM 1717 CB SER A 116 20.623 6.867 -8.423 1.00 0.00 C ATOM 1718 OG SER A 116 20.146 6.436 -7.161 1.00 0.00 O ATOM 0 H SER A 116 19.953 5.115 -10.167 1.00 0.00 H new ATOM 0 HA SER A 116 18.592 7.384 -8.901 1.00 0.00 H new ATOM 0 HB2 SER A 116 21.350 6.150 -8.804 1.00 0.00 H new ATOM 0 HB3 SER A 116 21.141 7.819 -8.313 1.00 0.00 H new ATOM 0 HG SER A 116 20.899 6.346 -6.540 1.00 0.00 H new ATOM 1724 N SER A 117 20.710 7.610 -11.425 1.00 0.00 N ATOM 1725 CA SER A 117 21.157 8.482 -12.506 1.00 0.00 C ATOM 1726 C SER A 117 20.294 8.290 -13.749 1.00 0.00 C ATOM 1727 O SER A 117 19.655 9.226 -14.226 1.00 0.00 O ATOM 1728 CB SER A 117 22.623 8.205 -12.841 1.00 0.00 C ATOM 1729 OG SER A 117 23.251 9.358 -13.375 1.00 0.00 O ATOM 0 H SER A 117 21.108 6.671 -11.448 1.00 0.00 H new ATOM 0 HA SER A 117 21.058 9.515 -12.171 1.00 0.00 H new ATOM 0 HB2 SER A 117 23.150 7.883 -11.943 1.00 0.00 H new ATOM 0 HB3 SER A 117 22.687 7.387 -13.559 1.00 0.00 H new ATOM 0 HG SER A 117 24.188 9.155 -13.579 1.00 0.00 H new ATOM 1735 N GLY A 118 20.283 7.066 -14.271 1.00 0.00 N ATOM 1736 CA GLY A 118 19.496 6.771 -15.454 1.00 0.00 C ATOM 1737 C GLY A 118 20.319 6.832 -16.726 1.00 0.00 C ATOM 1738 O GLY A 118 21.337 6.149 -16.815 1.00 0.00 O ATOM 0 H GLY A 118 20.805 6.274 -13.895 1.00 0.00 H new ATOM 0 HA2 GLY A 118 19.056 5.778 -15.356 1.00 0.00 H new ATOM 0 HA3 GLY A 118 18.671 7.480 -15.524 1.00 0.00 H new TER 1742 GLY A 118 ATOM 1743 N MET B 1 17.243 1.744 19.019 1.00 0.00 N ATOM 1744 CA MET B 1 17.445 3.074 19.581 1.00 0.00 C ATOM 1745 C MET B 1 16.677 4.124 18.785 1.00 0.00 C ATOM 1746 O MET B 1 17.191 4.682 17.816 1.00 0.00 O ATOM 1747 CB MET B 1 18.935 3.422 19.600 1.00 0.00 C ATOM 1748 CG MET B 1 19.277 4.581 20.523 1.00 0.00 C ATOM 1749 SD MET B 1 18.678 6.163 19.901 1.00 0.00 S ATOM 1750 CE MET B 1 20.204 7.097 19.823 1.00 0.00 C ATOM 0 H1 MET B 1 17.775 1.047 19.577 1.00 0.00 H new ATOM 0 H2 MET B 1 16.231 1.507 19.043 1.00 0.00 H new ATOM 0 H3 MET B 1 17.579 1.728 18.035 1.00 0.00 H new ATOM 0 HA MET B 1 17.066 3.070 20.603 1.00 0.00 H new ATOM 0 HB2 MET B 1 19.501 2.543 19.909 1.00 0.00 H new ATOM 0 HB3 MET B 1 19.255 3.668 18.588 1.00 0.00 H new ATOM 0 HG2 MET B 1 18.847 4.396 21.507 1.00 0.00 H new ATOM 0 HG3 MET B 1 20.358 4.631 20.652 1.00 0.00 H new ATOM 0 HE1 MET B 1 19.997 8.102 19.455 1.00 0.00 H new ATOM 0 HE2 MET B 1 20.644 7.159 20.818 1.00 0.00 H new ATOM 0 HE3 MET B 1 20.901 6.600 19.148 1.00 0.00 H new ATOM 1760 N ASP B 2 15.442 4.387 19.199 1.00 0.00 N ATOM 1761 CA ASP B 2 14.602 5.369 18.525 1.00 0.00 C ATOM 1762 C ASP B 2 14.330 4.954 17.082 1.00 0.00 C ATOM 1763 O ASP B 2 14.380 5.778 16.170 1.00 0.00 O ATOM 1764 CB ASP B 2 15.267 6.747 18.556 1.00 0.00 C ATOM 1765 CG ASP B 2 15.484 7.253 19.968 1.00 0.00 C ATOM 1766 OD1 ASP B 2 14.744 6.817 20.874 1.00 0.00 O ATOM 1767 OD2 ASP B 2 16.394 8.086 20.167 1.00 0.00 O ATOM 0 H ASP B 2 15.001 3.933 19.999 1.00 0.00 H new ATOM 0 HA ASP B 2 13.650 5.421 19.054 1.00 0.00 H new ATOM 0 HB2 ASP B 2 16.226 6.696 18.040 1.00 0.00 H new ATOM 0 HB3 ASP B 2 14.648 7.458 18.009 1.00 0.00 H new ATOM 1772 N ASN B 3 14.045 3.672 16.885 1.00 0.00 N ATOM 1773 CA ASN B 3 13.767 3.147 15.552 1.00 0.00 C ATOM 1774 C ASN B 3 12.628 3.915 14.892 1.00 0.00 C ATOM 1775 O ASN B 3 11.577 4.126 15.497 1.00 0.00 O ATOM 1776 CB ASN B 3 13.417 1.659 15.631 1.00 0.00 C ATOM 1777 CG ASN B 3 13.637 0.943 14.312 1.00 0.00 C ATOM 1778 OD1 ASN B 3 12.929 1.381 13.277 1.00 0.00 O flip ATOM 1779 ND2 ASN B 3 14.433 0.008 14.225 1.00 0.00 N flip ATOM 0 H ASN B 3 14.000 2.977 17.630 1.00 0.00 H new ATOM 0 HA ASN B 3 14.664 3.271 14.945 1.00 0.00 H new ATOM 0 HB2 ASN B 3 14.023 1.186 16.404 1.00 0.00 H new ATOM 0 HB3 ASN B 3 12.375 1.549 15.932 1.00 0.00 H new ATOM 0 HD21 ASN B 3 14.956 -0.295 15.047 1.00 0.00 H new ATOM 0 HD22 ASN B 3 14.570 -0.464 13.331 1.00 0.00 H new ATOM 1786 N GLN B 4 12.844 4.330 13.648 1.00 0.00 N ATOM 1787 CA GLN B 4 11.834 5.075 12.906 1.00 0.00 C ATOM 1788 C GLN B 4 10.690 4.163 12.476 1.00 0.00 C ATOM 1789 O GLN B 4 10.805 3.425 11.498 1.00 0.00 O ATOM 1790 CB GLN B 4 12.461 5.740 11.678 1.00 0.00 C ATOM 1791 CG GLN B 4 13.607 6.679 12.013 1.00 0.00 C ATOM 1792 CD GLN B 4 14.439 7.042 10.798 1.00 0.00 C ATOM 1793 OE1 GLN B 4 15.429 6.378 10.489 1.00 0.00 O ATOM 1794 NE2 GLN B 4 14.039 8.099 10.101 1.00 0.00 N ATOM 0 H GLN B 4 13.709 4.163 13.133 1.00 0.00 H new ATOM 0 HA GLN B 4 11.432 5.846 13.563 1.00 0.00 H new ATOM 0 HB2 GLN B 4 12.823 4.966 11.001 1.00 0.00 H new ATOM 0 HB3 GLN B 4 11.691 6.296 11.144 1.00 0.00 H new ATOM 0 HG2 GLN B 4 13.207 7.589 12.460 1.00 0.00 H new ATOM 0 HG3 GLN B 4 14.248 6.212 12.761 1.00 0.00 H new ATOM 0 HE21 GLN B 4 13.212 8.620 10.394 1.00 0.00 H new ATOM 0 HE22 GLN B 4 14.558 8.390 9.273 1.00 0.00 H new ATOM 1803 N GLY B 5 9.586 4.218 13.215 1.00 0.00 N ATOM 1804 CA GLY B 5 8.437 3.390 12.895 1.00 0.00 C ATOM 1805 C GLY B 5 7.263 4.201 12.384 1.00 0.00 C ATOM 1806 O GLY B 5 7.059 5.343 12.800 1.00 0.00 O ATOM 0 H GLY B 5 9.467 4.821 14.029 1.00 0.00 H new ATOM 0 HA2 GLY B 5 8.721 2.654 12.143 1.00 0.00 H new ATOM 0 HA3 GLY B 5 8.133 2.836 13.783 1.00 0.00 H new ATOM 1810 N VAL B 6 6.489 3.613 11.478 1.00 0.00 N ATOM 1811 CA VAL B 6 5.330 4.288 10.908 1.00 0.00 C ATOM 1812 C VAL B 6 4.039 3.558 11.263 1.00 0.00 C ATOM 1813 O VAL B 6 3.991 2.328 11.269 1.00 0.00 O ATOM 1814 CB VAL B 6 5.440 4.398 9.376 1.00 0.00 C ATOM 1815 CG1 VAL B 6 6.821 4.893 8.974 1.00 0.00 C ATOM 1816 CG2 VAL B 6 5.136 3.057 8.724 1.00 0.00 C ATOM 0 H VAL B 6 6.644 2.670 11.123 1.00 0.00 H new ATOM 0 HA VAL B 6 5.307 5.291 11.335 1.00 0.00 H new ATOM 0 HB VAL B 6 4.704 5.123 9.027 1.00 0.00 H new ATOM 0 HG11 VAL B 6 6.880 4.964 7.888 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.997 5.875 9.412 1.00 0.00 H new ATOM 0 HG13 VAL B 6 7.577 4.194 9.333 1.00 0.00 H new ATOM 0 HG21 VAL B 6 5.218 3.152 7.641 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.847 2.311 9.078 1.00 0.00 H new ATOM 0 HG23 VAL B 6 4.124 2.746 8.985 1.00 0.00 H new ATOM 1826 N ILE B 7 2.995 4.325 11.559 1.00 0.00 N ATOM 1827 CA ILE B 7 1.703 3.751 11.914 1.00 0.00 C ATOM 1828 C ILE B 7 1.030 3.119 10.699 1.00 0.00 C ATOM 1829 O ILE B 7 1.127 3.634 9.586 1.00 0.00 O ATOM 1830 CB ILE B 7 0.761 4.811 12.514 1.00 0.00 C ATOM 1831 CG1 ILE B 7 1.480 5.599 13.612 1.00 0.00 C ATOM 1832 CG2 ILE B 7 -0.496 4.153 13.064 1.00 0.00 C ATOM 1833 CD1 ILE B 7 1.724 4.796 14.871 1.00 0.00 C ATOM 0 H ILE B 7 3.019 5.345 11.560 1.00 0.00 H new ATOM 0 HA ILE B 7 1.895 2.982 12.662 1.00 0.00 H new ATOM 0 HB ILE B 7 0.469 5.505 11.726 1.00 0.00 H new ATOM 0 HG12 ILE B 7 2.436 5.954 13.227 1.00 0.00 H new ATOM 0 HG13 ILE B 7 0.889 6.480 13.862 1.00 0.00 H new ATOM 0 HG21 ILE B 7 -1.152 4.916 13.485 1.00 0.00 H new ATOM 0 HG22 ILE B 7 -1.015 3.631 12.260 1.00 0.00 H new ATOM 0 HG23 ILE B 7 -0.223 3.440 13.842 1.00 0.00 H new ATOM 0 HD11 ILE B 7 2.237 5.417 15.605 1.00 0.00 H new ATOM 0 HD12 ILE B 7 0.770 4.463 15.281 1.00 0.00 H new ATOM 0 HD13 ILE B 7 2.341 3.929 14.636 1.00 0.00 H new HETATM 1845 N PTR B 8 0.347 2.002 10.923 1.00 0.00 N HETATM 1846 CA PTR B 8 -0.343 1.299 9.847 1.00 0.00 C HETATM 1847 C PTR B 8 -1.845 1.560 9.901 1.00 0.00 C HETATM 1848 O PTR B 8 -2.537 1.087 10.802 1.00 0.00 O HETATM 1849 CB PTR B 8 -0.071 -0.203 9.936 1.00 0.00 C HETATM 1850 CG PTR B 8 1.256 -0.616 9.340 1.00 0.00 C HETATM 1851 CD1 PTR B 8 2.446 -0.065 9.799 1.00 0.00 C HETATM 1852 CD2 PTR B 8 1.320 -1.554 8.318 1.00 0.00 C HETATM 1853 CE1 PTR B 8 3.661 -0.437 9.259 1.00 0.00 C HETATM 1854 CE2 PTR B 8 2.530 -1.934 7.771 1.00 0.00 C HETATM 1855 CZ PTR B 8 3.699 -1.373 8.245 1.00 0.00 C HETATM 1856 OH PTR B 8 4.906 -1.747 7.702 1.00 0.00 O HETATM 1857 P PTR B 8 5.669 -3.117 8.019 1.00 0.00 P HETATM 1858 O1P PTR B 8 5.261 -4.159 7.049 1.00 0.00 O HETATM 1859 O2P PTR B 8 7.132 -2.917 7.921 1.00 0.00 O HETATM 1860 O3P PTR B 8 5.337 -3.577 9.386 1.00 0.00 O HETATM 0 HE2 PTR B 8 2.562 -2.672 6.970 1.00 0.00 H new HETATM 0 HE1 PTR B 8 4.585 0.006 9.631 1.00 0.00 H new HETATM 0 HD2 PTR B 8 0.399 -1.998 7.941 1.00 0.00 H new HETATM 0 HD1 PTR B 8 2.420 0.674 10.600 1.00 0.00 H new HETATM 0 HB3 PTR B 8 -0.100 -0.507 10.982 1.00 0.00 H new HETATM 0 HB2 PTR B 8 -0.871 -0.739 9.426 1.00 0.00 H new HETATM 0 HA PTR B 8 0.038 1.675 8.898 1.00 0.00 H new ATOM 1869 N SER B 9 -2.342 2.318 8.927 1.00 0.00 N ATOM 1870 CA SER B 9 -3.762 2.646 8.864 1.00 0.00 C ATOM 1871 C SER B 9 -4.617 1.394 9.040 1.00 0.00 C ATOM 1872 O SER B 9 -4.160 0.278 8.792 1.00 0.00 O ATOM 1873 CB SER B 9 -4.091 3.320 7.531 1.00 0.00 C ATOM 1874 OG SER B 9 -3.532 2.603 6.444 1.00 0.00 O ATOM 0 H SER B 9 -1.783 2.716 8.172 1.00 0.00 H new ATOM 0 HA SER B 9 -3.988 3.336 9.677 1.00 0.00 H new ATOM 0 HB2 SER B 9 -5.172 3.385 7.410 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.709 4.341 7.532 1.00 0.00 H new ATOM 0 HG SER B 9 -2.979 1.870 6.786 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.859 1.589 9.468 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.779 0.478 9.676 1.00 0.00 C ATOM 1882 C ASP B 10 -8.002 0.610 8.774 1.00 0.00 C ATOM 1883 O ASP B 10 -8.144 1.589 8.040 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.215 0.417 11.140 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.317 -0.475 11.974 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.282 0.021 12.470 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.647 -1.669 12.134 1.00 0.00 O ATOM 0 H ASP B 10 -6.252 2.507 9.678 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.259 -0.445 9.421 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.213 1.423 11.559 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.240 0.050 11.196 1.00 0.00 H new ATOM 1892 N LEU B 11 -8.883 -0.383 8.833 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.095 -0.380 8.020 1.00 0.00 C ATOM 1894 C LEU B 11 -11.335 -0.207 8.891 1.00 0.00 C ATOM 1895 O LEU B 11 -11.233 -0.002 10.099 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.199 -1.677 7.217 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.397 -1.726 5.915 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -8.064 -1.014 6.082 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.182 -3.168 5.476 1.00 0.00 C ATOM 0 H LEU B 11 -8.781 -1.200 9.435 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.037 0.462 7.331 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.874 -2.501 7.852 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.249 -1.852 6.981 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.966 -1.211 5.140 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -7.508 -1.059 5.146 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -8.239 0.028 6.350 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -7.488 -1.500 6.870 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.610 -3.184 4.548 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.634 -3.706 6.250 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -10.148 -3.647 5.315 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.506 -0.295 8.269 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.767 -0.151 8.988 1.00 0.00 C ATOM 1913 C ASN B 12 -14.107 -1.427 9.750 1.00 0.00 C ATOM 1914 O ASN B 12 -14.342 -1.400 10.959 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.896 0.194 8.016 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.461 -1.033 7.327 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -14.711 -1.575 6.375 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -16.559 -1.488 7.649 1.00 0.00 N flip ATOM 0 H ASN B 12 -12.608 -0.465 7.269 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.656 0.661 9.707 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.694 0.704 8.556 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.525 0.891 7.264 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.101 -1.038 8.387 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -16.927 -2.315 7.178 1.00 0.00 H new ATOM 1925 N LEU B 13 -14.134 -2.547 9.034 1.00 0.00 N ATOM 1926 CA LEU B 13 -14.446 -3.836 9.641 1.00 0.00 C ATOM 1927 C LEU B 13 -13.732 -3.995 10.981 1.00 0.00 C ATOM 1928 O LEU B 13 -14.339 -4.317 12.001 1.00 0.00 O ATOM 1929 CB LEU B 13 -14.048 -4.975 8.701 1.00 0.00 C ATOM 1930 CG LEU B 13 -14.058 -4.646 7.207 1.00 0.00 C ATOM 1931 CD1 LEU B 13 -12.714 -4.082 6.776 1.00 0.00 C ATOM 1932 CD2 LEU B 13 -14.407 -5.883 6.392 1.00 0.00 C ATOM 0 H LEU B 13 -13.944 -2.588 8.033 1.00 0.00 H new ATOM 0 HA LEU B 13 -15.521 -3.876 9.816 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -13.047 -5.310 8.972 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -14.723 -5.814 8.873 1.00 0.00 H new ATOM 0 HG LEU B 13 -14.821 -3.889 7.025 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -12.740 -3.854 5.710 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -12.505 -3.171 7.337 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -11.932 -4.816 6.971 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -14.410 -5.631 5.331 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -13.668 -6.662 6.578 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -15.394 -6.243 6.682 1.00 0.00 H new ATOM 1944 N PRO B 14 -12.410 -3.762 10.978 1.00 0.00 N ATOM 1945 CA PRO B 14 -11.586 -3.869 12.184 1.00 0.00 C ATOM 1946 C PRO B 14 -11.879 -2.760 13.189 1.00 0.00 C ATOM 1947 O PRO B 14 -12.250 -1.644 12.825 1.00 0.00 O ATOM 1948 CB PRO B 14 -10.157 -3.744 11.650 1.00 0.00 C ATOM 1949 CG PRO B 14 -10.294 -2.976 10.380 1.00 0.00 C ATOM 1950 CD PRO B 14 -11.621 -3.374 9.797 1.00 0.00 C ATOM 0 HA PRO B 14 -11.774 -4.797 12.724 1.00 0.00 H new ATOM 0 HB2 PRO B 14 -9.513 -3.224 12.360 1.00 0.00 H new ATOM 0 HB3 PRO B 14 -9.713 -4.724 11.474 1.00 0.00 H new ATOM 0 HG2 PRO B 14 -10.256 -1.903 10.567 1.00 0.00 H new ATOM 0 HG3 PRO B 14 -9.480 -3.209 9.693 1.00 0.00 H new ATOM 0 HD2 PRO B 14 -12.086 -2.550 9.256 1.00 0.00 H new ATOM 0 HD3 PRO B 14 -11.519 -4.200 9.093 1.00 0.00 H new ATOM 1958 N PRO B 15 -11.708 -3.070 14.482 1.00 0.00 N ATOM 1959 CA PRO B 15 -11.948 -2.113 15.564 1.00 0.00 C ATOM 1960 C PRO B 15 -10.907 -0.999 15.594 1.00 0.00 C ATOM 1961 O PRO B 15 -11.053 0.020 14.918 1.00 0.00 O ATOM 1962 CB PRO B 15 -11.849 -2.971 16.828 1.00 0.00 C ATOM 1963 CG PRO B 15 -10.980 -4.117 16.439 1.00 0.00 C ATOM 1964 CD PRO B 15 -11.268 -4.382 14.987 1.00 0.00 C ATOM 0 HA PRO B 15 -12.906 -1.605 15.452 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -11.416 -2.409 17.656 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -12.832 -3.312 17.154 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -9.927 -3.877 16.591 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -11.198 -4.995 17.047 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -10.383 -4.739 14.460 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -12.041 -5.140 14.862 1.00 0.00 H new TER 1972 PRO B 15