USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 792 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 CYS SG : rot 157:sc= -0.215 USER MOD Set 1.2: A 83 TYR OH : rot 30:sc= 1.24 USER MOD Set 2.1: A 15 ASN : amide:sc= -1.78 K(o=-1.8,f=-10!) USER MOD Set 2.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLU N :NH3+ -105:sc= 0.115 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -120:sc= -0.0249 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -172:sc= -1.36 (180deg=-1.6!) USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= -0.0127 (180deg=-0.0944) USER MOD Single : A 16 GLN : amide:sc= 0.0692 K(o=0.069,f=-1.3!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 22 LYS NZ :NH3+ -131:sc= 0.063 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.323! K(o=-0.32!,f=-4.7) USER MOD Single : A 32 ASN : amide:sc= 0.21! X(o=0.21!,f=-0.11) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 37 THR OG1 : rot -52:sc= 1.27 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.5! C(o=-1.5!,f=-3.7!) USER MOD Single : A 57 THR OG1 : rot 42:sc= 0.0804 USER MOD Single : A 60 TYR OH : rot 9:sc= 0.931 USER MOD Single : A 66 GLN : amide:sc= -2.17 K(o=-2.2,f=-0.18) USER MOD Single : A 69 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.7!) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.911 K(o=0.91,f=-4.5!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 80 ASN : amide:sc= 0.00189 K(o=0.0019,f=-6.5!) USER MOD Single : A 84 CYS SG : rot -43:sc= -0.171 USER MOD Single : A 88 THR OG1 : rot 180:sc=0.000988 USER MOD Single : A 89 CYS SG : rot -87:sc= -0.599! USER MOD Single : A 90 GLN : amide:sc= -0.955 X(o=-0.96,f=-0.57) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 96 GLN : amide:sc= 0.162 X(o=0.16,f=0.26) USER MOD Single : A 106 LYS NZ :NH3+ -167:sc=-0.00656 (180deg=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -73.526 111.367 21.502 1.00 0.00 N ATOM 2 CA GLU A 1 -72.515 110.489 22.077 1.00 0.00 C ATOM 3 C GLU A 1 -71.137 111.033 21.711 1.00 0.00 C ATOM 4 O GLU A 1 -70.984 111.712 20.692 1.00 0.00 O ATOM 5 CB GLU A 1 -72.717 109.045 21.552 1.00 0.00 C ATOM 6 CG GLU A 1 -71.736 108.016 22.096 1.00 0.00 C ATOM 7 CD GLU A 1 -71.723 107.969 23.594 1.00 0.00 C ATOM 8 OE1 GLU A 1 -72.504 107.213 24.186 1.00 0.00 O ATOM 9 OE2 GLU A 1 -70.931 108.711 24.210 1.00 0.00 O1- ATOM 0 H1 GLU A 1 -73.946 111.952 22.253 1.00 0.00 H new ATOM 0 H2 GLU A 1 -73.086 111.983 20.789 1.00 0.00 H new ATOM 0 H3 GLU A 1 -74.269 110.794 21.053 1.00 0.00 H new ATOM 0 HA GLU A 1 -72.603 110.459 23.163 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -73.729 108.724 21.798 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -72.641 109.057 20.465 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -71.995 107.031 21.707 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -70.734 108.248 21.735 1.00 0.00 H new ATOM 18 N THR A 2 -70.158 110.774 22.535 1.00 0.00 N ATOM 19 CA THR A 2 -68.822 111.224 22.291 1.00 0.00 C ATOM 20 C THR A 2 -67.979 110.055 21.790 1.00 0.00 C ATOM 21 O THR A 2 -67.914 109.023 22.445 1.00 0.00 O ATOM 22 CB THR A 2 -68.195 111.806 23.582 1.00 0.00 C ATOM 23 OG1 THR A 2 -69.025 112.874 24.075 1.00 0.00 O ATOM 24 CG2 THR A 2 -66.799 112.351 23.305 1.00 0.00 C ATOM 0 H THR A 2 -70.269 110.242 23.398 1.00 0.00 H new ATOM 0 HA THR A 2 -68.848 112.011 21.537 1.00 0.00 H new ATOM 0 HB THR A 2 -68.123 111.010 24.323 1.00 0.00 H new ATOM 0 HG1 THR A 2 -68.631 113.243 24.893 1.00 0.00 H new ATOM 0 HG21 THR A 2 -66.377 112.755 24.225 1.00 0.00 H new ATOM 0 HG22 THR A 2 -66.162 111.548 22.935 1.00 0.00 H new ATOM 0 HG23 THR A 2 -66.859 113.141 22.556 1.00 0.00 H new ATOM 32 N PRO A 3 -67.387 110.165 20.588 1.00 0.00 N ATOM 33 CA PRO A 3 -66.486 109.141 20.074 1.00 0.00 C ATOM 34 C PRO A 3 -65.196 109.093 20.907 1.00 0.00 C ATOM 35 O PRO A 3 -64.275 109.889 20.712 1.00 0.00 O ATOM 36 CB PRO A 3 -66.187 109.587 18.630 1.00 0.00 C ATOM 37 CG PRO A 3 -67.209 110.628 18.323 1.00 0.00 C ATOM 38 CD PRO A 3 -67.553 111.271 19.631 1.00 0.00 C ATOM 0 HA PRO A 3 -66.918 108.141 20.118 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -65.177 109.989 18.543 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -66.258 108.749 17.936 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -66.818 111.362 17.619 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -68.092 110.184 17.863 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -66.891 112.106 19.858 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -68.571 111.661 19.635 1.00 0.00 H new ATOM 46 N ALA A 4 -65.184 108.228 21.893 1.00 0.00 N ATOM 47 CA ALA A 4 -64.044 108.084 22.775 1.00 0.00 C ATOM 48 C ALA A 4 -63.409 106.722 22.587 1.00 0.00 C ATOM 49 O ALA A 4 -62.486 106.343 23.298 1.00 0.00 O ATOM 50 CB ALA A 4 -64.480 108.274 24.221 1.00 0.00 C ATOM 0 H ALA A 4 -65.961 107.604 22.109 1.00 0.00 H new ATOM 0 HA ALA A 4 -63.305 108.847 22.530 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -63.618 108.164 24.878 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -64.906 109.270 24.345 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -65.229 107.524 24.477 1.00 0.00 H new ATOM 56 N THR A 5 -63.855 106.036 21.568 1.00 0.00 N ATOM 57 CA THR A 5 -63.431 104.684 21.268 1.00 0.00 C ATOM 58 C THR A 5 -62.265 104.736 20.236 1.00 0.00 C ATOM 59 O THR A 5 -62.011 103.795 19.481 1.00 0.00 O ATOM 60 CB THR A 5 -64.652 103.929 20.688 1.00 0.00 C ATOM 61 OG1 THR A 5 -65.816 104.287 21.463 1.00 0.00 O ATOM 62 CG2 THR A 5 -64.471 102.427 20.798 1.00 0.00 C ATOM 0 H THR A 5 -64.538 106.405 20.906 1.00 0.00 H new ATOM 0 HA THR A 5 -63.073 104.169 22.160 1.00 0.00 H new ATOM 0 HB THR A 5 -64.760 104.201 19.638 1.00 0.00 H new ATOM 0 HG1 THR A 5 -66.601 103.819 21.109 1.00 0.00 H new ATOM 0 HG21 THR A 5 -65.344 101.924 20.383 1.00 0.00 H new ATOM 0 HG22 THR A 5 -63.581 102.126 20.244 1.00 0.00 H new ATOM 0 HG23 THR A 5 -64.357 102.150 21.846 1.00 0.00 H new ATOM 70 N ARG A 6 -61.557 105.844 20.276 1.00 0.00 N ATOM 71 CA ARG A 6 -60.452 106.152 19.387 1.00 0.00 C ATOM 72 C ARG A 6 -59.283 105.165 19.558 1.00 0.00 C ATOM 73 O ARG A 6 -58.893 104.829 20.693 1.00 0.00 O ATOM 74 CB ARG A 6 -59.997 107.580 19.680 1.00 0.00 C ATOM 75 CG ARG A 6 -58.811 108.092 18.886 1.00 0.00 C ATOM 76 CD ARG A 6 -58.439 109.469 19.381 1.00 0.00 C ATOM 77 NE ARG A 6 -57.307 110.058 18.671 1.00 0.00 N ATOM 78 CZ ARG A 6 -56.459 110.941 19.208 1.00 0.00 C ATOM 79 NH1 ARG A 6 -56.609 111.328 20.475 1.00 0.00 N1+ ATOM 80 NH2 ARG A 6 -55.485 111.456 18.476 1.00 0.00 N ATOM 0 H ARG A 6 -61.740 106.584 20.953 1.00 0.00 H new ATOM 0 HA ARG A 6 -60.786 106.060 18.354 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -60.839 108.249 19.503 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -59.752 107.649 20.740 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -57.965 107.413 18.994 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -59.057 108.128 17.825 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -59.302 110.127 19.282 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -58.202 109.413 20.443 1.00 0.00 H new ATOM 0 HE ARG A 6 -57.153 109.777 17.702 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -57.372 110.950 21.037 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -55.961 112.002 20.883 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -55.380 111.180 17.500 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -54.839 112.130 18.888 1.00 0.00 H new ATOM 94 N PRO A 7 -58.738 104.675 18.436 1.00 0.00 N ATOM 95 CA PRO A 7 -57.586 103.774 18.433 1.00 0.00 C ATOM 96 C PRO A 7 -56.336 104.492 18.948 1.00 0.00 C ATOM 97 O PRO A 7 -56.101 105.665 18.624 1.00 0.00 O ATOM 98 CB PRO A 7 -57.421 103.400 16.953 1.00 0.00 C ATOM 99 CG PRO A 7 -58.090 104.499 16.200 1.00 0.00 C ATOM 100 CD PRO A 7 -59.208 104.978 17.072 1.00 0.00 C ATOM 0 HA PRO A 7 -57.727 102.906 19.078 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -56.368 103.319 16.681 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -57.881 102.436 16.736 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -57.390 105.306 15.985 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -58.468 104.141 15.242 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -59.392 106.044 16.939 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -60.142 104.463 16.846 1.00 0.00 H new ATOM 108 N VAL A 8 -55.539 103.805 19.730 1.00 0.00 N ATOM 109 CA VAL A 8 -54.381 104.437 20.338 1.00 0.00 C ATOM 110 C VAL A 8 -53.141 104.417 19.447 1.00 0.00 C ATOM 111 O VAL A 8 -52.338 105.347 19.490 1.00 0.00 O ATOM 112 CB VAL A 8 -54.058 103.882 21.747 1.00 0.00 C ATOM 113 CG1 VAL A 8 -55.194 104.189 22.704 1.00 0.00 C ATOM 114 CG2 VAL A 8 -53.791 102.388 21.708 1.00 0.00 C ATOM 0 H VAL A 8 -55.664 102.820 19.962 1.00 0.00 H new ATOM 0 HA VAL A 8 -54.670 105.481 20.457 1.00 0.00 H new ATOM 0 HB VAL A 8 -53.151 104.373 22.100 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -54.955 103.794 23.691 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -55.333 105.268 22.769 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -56.111 103.726 22.340 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -53.568 102.032 22.714 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -54.672 101.871 21.327 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -52.942 102.187 21.055 1.00 0.00 H new ATOM 124 N THR A 9 -52.969 103.379 18.654 1.00 0.00 N ATOM 125 CA THR A 9 -51.826 103.330 17.769 1.00 0.00 C ATOM 126 C THR A 9 -52.198 103.805 16.373 1.00 0.00 C ATOM 127 O THR A 9 -51.369 104.345 15.642 1.00 0.00 O ATOM 128 CB THR A 9 -51.220 101.922 17.715 1.00 0.00 C ATOM 129 OG1 THR A 9 -52.243 100.961 17.404 1.00 0.00 O ATOM 130 CG2 THR A 9 -50.577 101.568 19.042 1.00 0.00 C ATOM 0 H THR A 9 -53.593 102.574 18.604 1.00 0.00 H new ATOM 0 HA THR A 9 -51.071 104.005 18.172 1.00 0.00 H new ATOM 0 HB THR A 9 -50.456 101.904 16.938 1.00 0.00 H new ATOM 0 HG1 THR A 9 -52.311 100.308 18.132 1.00 0.00 H new ATOM 0 HG21 THR A 9 -50.153 100.566 18.985 1.00 0.00 H new ATOM 0 HG22 THR A 9 -49.787 102.285 19.266 1.00 0.00 H new ATOM 0 HG23 THR A 9 -51.329 101.599 19.830 1.00 0.00 H new ATOM 138 N GLY A 10 -53.445 103.609 16.018 1.00 0.00 N ATOM 139 CA GLY A 10 -53.911 104.024 14.731 1.00 0.00 C ATOM 140 C GLY A 10 -54.753 102.969 14.096 1.00 0.00 C ATOM 141 O GLY A 10 -55.957 103.119 13.978 1.00 0.00 O ATOM 0 H GLY A 10 -54.150 103.164 16.607 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -54.488 104.943 14.829 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -53.060 104.249 14.088 1.00 0.00 H new ATOM 145 N SER A 11 -54.136 101.886 13.730 1.00 0.00 N ATOM 146 CA SER A 11 -54.839 100.810 13.084 1.00 0.00 C ATOM 147 C SER A 11 -55.313 99.781 14.114 1.00 0.00 C ATOM 148 O SER A 11 -56.235 99.007 13.850 1.00 0.00 O ATOM 149 CB SER A 11 -53.918 100.165 12.045 1.00 0.00 C ATOM 150 OG SER A 11 -54.594 99.217 11.215 1.00 0.00 O ATOM 0 H SER A 11 -53.139 101.720 13.868 1.00 0.00 H new ATOM 0 HA SER A 11 -55.724 101.201 12.582 1.00 0.00 H new ATOM 0 HB2 SER A 11 -53.483 100.944 11.419 1.00 0.00 H new ATOM 0 HB3 SER A 11 -53.093 99.669 12.556 1.00 0.00 H new ATOM 0 HG SER A 11 -53.961 98.837 10.570 1.00 0.00 H new ATOM 156 N TRP A 12 -54.698 99.784 15.278 1.00 0.00 N ATOM 157 CA TRP A 12 -55.032 98.826 16.305 1.00 0.00 C ATOM 158 C TRP A 12 -55.612 99.502 17.536 1.00 0.00 C ATOM 159 O TRP A 12 -55.330 100.688 17.830 1.00 0.00 O ATOM 160 CB TRP A 12 -53.826 97.952 16.678 1.00 0.00 C ATOM 161 CG TRP A 12 -53.367 97.034 15.574 1.00 0.00 C ATOM 162 CD1 TRP A 12 -52.567 97.354 14.520 1.00 0.00 C ATOM 163 CD2 TRP A 12 -53.680 95.641 15.427 1.00 0.00 C ATOM 164 NE1 TRP A 12 -52.368 96.258 13.727 1.00 0.00 N ATOM 165 CE2 TRP A 12 -53.032 95.192 14.261 1.00 0.00 C ATOM 166 CE3 TRP A 12 -54.442 94.733 16.165 1.00 0.00 C ATOM 167 CZ2 TRP A 12 -53.119 93.877 13.817 1.00 0.00 C ATOM 168 CZ3 TRP A 12 -54.530 93.427 15.723 1.00 0.00 C ATOM 169 CH2 TRP A 12 -53.871 93.010 14.560 1.00 0.00 C ATOM 0 H TRP A 12 -53.962 100.442 15.535 1.00 0.00 H new ATOM 0 HA TRP A 12 -55.801 98.173 15.891 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -52.997 98.599 16.966 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -54.082 97.353 17.552 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -52.149 98.333 14.337 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -51.812 96.240 12.872 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -54.953 95.046 17.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -52.612 93.553 12.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -55.117 92.715 16.284 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -53.959 91.981 14.243 1.00 0.00 H new ATOM 180 N LYS A 13 -56.433 98.762 18.218 1.00 0.00 N ATOM 181 CA LYS A 13 -57.107 99.180 19.421 1.00 0.00 C ATOM 182 C LYS A 13 -56.821 98.149 20.476 1.00 0.00 C ATOM 183 O LYS A 13 -56.629 96.994 20.144 1.00 0.00 O ATOM 184 CB LYS A 13 -58.610 99.188 19.162 1.00 0.00 C ATOM 185 CG LYS A 13 -59.076 100.200 18.128 1.00 0.00 C ATOM 186 CD LYS A 13 -60.507 99.918 17.665 1.00 0.00 C ATOM 187 CE LYS A 13 -61.494 99.841 18.825 1.00 0.00 C ATOM 188 NZ LYS A 13 -61.584 101.098 19.578 1.00 0.00 N1+ ATOM 0 H LYS A 13 -56.665 97.807 17.943 1.00 0.00 H new ATOM 0 HA LYS A 13 -56.773 100.171 19.730 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -58.913 98.193 18.837 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -59.125 99.387 20.102 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -59.021 101.203 18.550 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -58.405 100.178 17.269 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -60.823 100.701 16.975 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -60.528 98.979 17.112 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -62.480 99.581 18.441 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -61.194 99.039 19.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -62.161 100.951 20.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -60.630 101.406 19.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -62.025 101.828 18.983 1.00 0.00 H new ATOM 202 N LYS A 14 -56.780 98.534 21.712 1.00 0.00 N ATOM 203 CA LYS A 14 -56.583 97.566 22.762 1.00 0.00 C ATOM 204 C LYS A 14 -57.787 97.561 23.671 1.00 0.00 C ATOM 205 O LYS A 14 -58.285 98.613 24.063 1.00 0.00 O ATOM 206 CB LYS A 14 -55.289 97.812 23.549 1.00 0.00 C ATOM 207 CG LYS A 14 -55.023 96.749 24.610 1.00 0.00 C ATOM 208 CD LYS A 14 -53.652 96.870 25.255 1.00 0.00 C ATOM 209 CE LYS A 14 -53.466 98.152 26.028 1.00 0.00 C ATOM 210 NZ LYS A 14 -54.443 98.321 27.127 1.00 0.00 N1+ ATOM 0 H LYS A 14 -56.878 99.500 22.025 1.00 0.00 H new ATOM 0 HA LYS A 14 -56.475 96.583 22.303 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -54.449 97.842 22.855 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -55.342 98.790 24.028 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -55.788 96.819 25.384 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -55.117 95.762 24.157 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -53.498 96.024 25.925 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -52.887 96.807 24.481 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -52.458 98.176 26.441 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -53.550 98.996 25.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -54.180 99.147 27.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -55.393 98.464 26.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -54.443 97.470 27.725 1.00 0.00 H new ATOM 224 N ASN A 15 -58.256 96.400 23.993 1.00 0.00 N ATOM 225 CA ASN A 15 -59.441 96.266 24.818 1.00 0.00 C ATOM 226 C ASN A 15 -59.092 96.142 26.297 1.00 0.00 C ATOM 227 O ASN A 15 -57.921 96.208 26.679 1.00 0.00 O ATOM 228 CB ASN A 15 -60.322 95.086 24.357 1.00 0.00 C ATOM 229 CG ASN A 15 -59.663 93.710 24.437 1.00 0.00 C ATOM 230 OD1 ASN A 15 -58.815 93.440 25.298 1.00 0.00 O ATOM 231 ND2 ASN A 15 -60.047 92.841 23.547 1.00 0.00 N ATOM 0 H ASN A 15 -57.841 95.515 23.701 1.00 0.00 H new ATOM 0 HA ASN A 15 -60.019 97.182 24.694 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -61.228 95.072 24.962 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -60.629 95.264 23.327 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -59.647 91.903 23.544 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -60.748 93.098 22.852 1.00 0.00 H new ATOM 238 N GLN A 16 -60.117 95.920 27.105 1.00 0.00 N ATOM 239 CA GLN A 16 -60.019 95.824 28.566 1.00 0.00 C ATOM 240 C GLN A 16 -59.181 94.643 29.060 1.00 0.00 C ATOM 241 O GLN A 16 -58.728 94.641 30.197 1.00 0.00 O ATOM 242 CB GLN A 16 -61.416 95.786 29.167 1.00 0.00 C ATOM 243 CG GLN A 16 -62.325 94.706 28.585 1.00 0.00 C ATOM 244 CD GLN A 16 -63.742 94.826 29.088 1.00 0.00 C ATOM 245 OE1 GLN A 16 -64.192 95.925 29.418 1.00 0.00 O ATOM 246 NE2 GLN A 16 -64.463 93.736 29.117 1.00 0.00 N ATOM 0 H GLN A 16 -61.069 95.797 26.760 1.00 0.00 H new ATOM 0 HA GLN A 16 -59.487 96.713 28.904 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -61.331 95.631 30.243 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -61.888 96.758 29.021 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -62.320 94.776 27.497 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -61.931 93.723 28.843 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -64.053 92.846 28.836 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -65.436 93.776 29.421 1.00 0.00 H new ATOM 255 N TYR A 17 -58.973 93.662 28.222 1.00 0.00 N ATOM 256 CA TYR A 17 -58.170 92.513 28.604 1.00 0.00 C ATOM 257 C TYR A 17 -56.712 92.713 28.199 1.00 0.00 C ATOM 258 O TYR A 17 -55.849 91.892 28.513 1.00 0.00 O ATOM 259 CB TYR A 17 -58.733 91.219 28.000 1.00 0.00 C ATOM 260 CG TYR A 17 -60.068 90.789 28.586 1.00 0.00 C ATOM 261 CD1 TYR A 17 -60.124 89.917 29.664 1.00 0.00 C ATOM 262 CD2 TYR A 17 -61.263 91.254 28.066 1.00 0.00 C ATOM 263 CE1 TYR A 17 -61.335 89.522 30.205 1.00 0.00 C ATOM 264 CE2 TYR A 17 -62.479 90.866 28.600 1.00 0.00 C ATOM 265 CZ TYR A 17 -62.509 89.999 29.668 1.00 0.00 C ATOM 266 OH TYR A 17 -63.725 89.613 30.211 1.00 0.00 O ATOM 0 H TYR A 17 -59.343 93.628 27.272 1.00 0.00 H new ATOM 0 HA TYR A 17 -58.212 92.420 29.689 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -58.847 91.353 26.924 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -58.009 90.417 28.147 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -59.206 89.540 30.089 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -61.246 91.933 27.227 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -61.359 88.843 31.044 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -63.400 91.242 28.180 1.00 0.00 H new ATOM 0 HH TYR A 17 -64.455 90.040 29.716 1.00 0.00 H new ATOM 276 N GLY A 18 -56.444 93.821 27.534 1.00 0.00 N ATOM 277 CA GLY A 18 -55.104 94.120 27.065 1.00 0.00 C ATOM 278 C GLY A 18 -54.819 93.443 25.749 1.00 0.00 C ATOM 279 O GLY A 18 -53.661 93.310 25.330 1.00 0.00 O ATOM 0 H GLY A 18 -57.139 94.531 27.306 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -54.988 95.198 26.954 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -54.376 93.796 27.808 1.00 0.00 H new ATOM 283 N THR A 19 -55.870 93.023 25.103 1.00 0.00 N ATOM 284 CA THR A 19 -55.793 92.407 23.825 1.00 0.00 C ATOM 285 C THR A 19 -55.887 93.485 22.756 1.00 0.00 C ATOM 286 O THR A 19 -56.793 94.331 22.799 1.00 0.00 O ATOM 287 CB THR A 19 -56.966 91.418 23.649 1.00 0.00 C ATOM 288 OG1 THR A 19 -56.950 90.436 24.696 1.00 0.00 O ATOM 289 CG2 THR A 19 -56.924 90.727 22.295 1.00 0.00 C ATOM 0 H THR A 19 -56.820 93.105 25.465 1.00 0.00 H new ATOM 0 HA THR A 19 -54.851 91.867 23.736 1.00 0.00 H new ATOM 0 HB THR A 19 -57.890 91.994 23.703 1.00 0.00 H new ATOM 0 HG1 THR A 19 -57.699 89.816 24.574 1.00 0.00 H new ATOM 0 HG21 THR A 19 -57.766 90.040 22.211 1.00 0.00 H new ATOM 0 HG22 THR A 19 -56.985 91.474 21.503 1.00 0.00 H new ATOM 0 HG23 THR A 19 -55.991 90.171 22.199 1.00 0.00 H new ATOM 297 N TRP A 20 -54.946 93.492 21.850 1.00 0.00 N ATOM 298 CA TRP A 20 -54.995 94.398 20.737 1.00 0.00 C ATOM 299 C TRP A 20 -55.833 93.765 19.687 1.00 0.00 C ATOM 300 O TRP A 20 -55.708 92.577 19.449 1.00 0.00 O ATOM 301 CB TRP A 20 -53.606 94.684 20.193 1.00 0.00 C ATOM 302 CG TRP A 20 -52.746 95.426 21.144 1.00 0.00 C ATOM 303 CD1 TRP A 20 -51.986 94.905 22.139 1.00 0.00 C ATOM 304 CD2 TRP A 20 -52.555 96.837 21.189 1.00 0.00 C ATOM 305 NE1 TRP A 20 -51.338 95.906 22.801 1.00 0.00 N ATOM 306 CE2 TRP A 20 -51.668 97.101 22.239 1.00 0.00 C ATOM 307 CE3 TRP A 20 -53.051 97.902 20.442 1.00 0.00 C ATOM 308 CZ2 TRP A 20 -51.262 98.383 22.566 1.00 0.00 C ATOM 309 CZ3 TRP A 20 -52.650 99.174 20.763 1.00 0.00 C ATOM 310 CH2 TRP A 20 -51.762 99.407 21.820 1.00 0.00 C ATOM 0 H TRP A 20 -54.133 92.877 21.863 1.00 0.00 H new ATOM 0 HA TRP A 20 -55.417 95.351 21.055 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -53.123 93.741 19.936 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -53.696 95.258 19.271 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -51.906 93.854 22.373 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -50.706 95.779 23.592 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -53.738 97.730 19.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -50.576 98.564 23.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -53.026 100.010 20.191 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -51.467 100.420 22.049 1.00 0.00 H new ATOM 321 N TYR A 21 -56.694 94.507 19.096 1.00 0.00 N ATOM 322 CA TYR A 21 -57.566 93.969 18.115 1.00 0.00 C ATOM 323 C TYR A 21 -57.907 95.019 17.100 1.00 0.00 C ATOM 324 O TYR A 21 -57.694 96.226 17.332 1.00 0.00 O ATOM 325 CB TYR A 21 -58.861 93.428 18.766 1.00 0.00 C ATOM 326 CG TYR A 21 -59.810 94.493 19.285 1.00 0.00 C ATOM 327 CD1 TYR A 21 -59.570 95.166 20.475 1.00 0.00 C ATOM 328 CD2 TYR A 21 -60.953 94.820 18.568 1.00 0.00 C ATOM 329 CE1 TYR A 21 -60.443 96.133 20.928 1.00 0.00 C ATOM 330 CE2 TYR A 21 -61.823 95.778 19.015 1.00 0.00 C ATOM 331 CZ TYR A 21 -61.566 96.432 20.192 1.00 0.00 C ATOM 332 OH TYR A 21 -62.445 97.391 20.635 1.00 0.00 O ATOM 0 H TYR A 21 -56.816 95.503 19.277 1.00 0.00 H new ATOM 0 HA TYR A 21 -57.056 93.142 17.621 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -59.390 92.817 18.035 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -58.588 92.772 19.592 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -58.689 94.930 21.053 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -61.160 94.309 17.639 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -60.246 96.652 21.854 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -62.707 96.017 18.443 1.00 0.00 H new ATOM 0 HH TYR A 21 -63.183 97.479 19.996 1.00 0.00 H new ATOM 342 N LYS A 22 -58.393 94.570 15.987 1.00 0.00 N ATOM 343 CA LYS A 22 -58.906 95.433 14.980 1.00 0.00 C ATOM 344 C LYS A 22 -59.996 94.691 14.226 1.00 0.00 C ATOM 345 O LYS A 22 -59.921 93.454 14.074 1.00 0.00 O ATOM 346 CB LYS A 22 -57.817 95.928 14.002 1.00 0.00 C ATOM 347 CG LYS A 22 -57.211 94.844 13.142 1.00 0.00 C ATOM 348 CD LYS A 22 -56.265 95.418 12.106 1.00 0.00 C ATOM 349 CE LYS A 22 -55.744 94.335 11.179 1.00 0.00 C ATOM 350 NZ LYS A 22 -54.948 94.887 10.059 1.00 0.00 N1+ ATOM 0 H LYS A 22 -58.444 93.579 15.752 1.00 0.00 H new ATOM 0 HA LYS A 22 -59.306 96.324 15.464 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -58.248 96.691 13.354 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -57.023 96.407 14.574 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -56.674 94.136 13.773 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -58.005 94.288 12.643 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -56.780 96.182 11.524 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -55.428 95.907 12.605 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -55.130 93.637 11.748 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -56.584 93.767 10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -55.279 94.477 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -55.061 95.920 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -53.944 94.652 10.198 1.00 0.00 H new ATOM 364 N PRO A 23 -61.030 95.402 13.806 1.00 0.00 N ATOM 365 CA PRO A 23 -62.100 94.831 13.005 1.00 0.00 C ATOM 366 C PRO A 23 -61.602 94.580 11.583 1.00 0.00 C ATOM 367 O PRO A 23 -61.035 95.481 10.945 1.00 0.00 O ATOM 368 CB PRO A 23 -63.178 95.927 13.017 1.00 0.00 C ATOM 369 CG PRO A 23 -62.432 97.198 13.244 1.00 0.00 C ATOM 370 CD PRO A 23 -61.233 96.835 14.074 1.00 0.00 C ATOM 0 HA PRO A 23 -62.466 93.876 13.382 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -63.725 95.953 12.075 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -63.910 95.752 13.806 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -62.130 97.647 12.298 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -63.055 97.929 13.759 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -60.359 97.421 13.789 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -61.411 97.021 15.133 1.00 0.00 H new ATOM 378 N GLU A 24 -61.762 93.381 11.101 1.00 0.00 N ATOM 379 CA GLU A 24 -61.292 93.048 9.783 1.00 0.00 C ATOM 380 C GLU A 24 -62.129 91.926 9.215 1.00 0.00 C ATOM 381 O GLU A 24 -62.221 90.856 9.800 1.00 0.00 O ATOM 382 CB GLU A 24 -59.811 92.640 9.859 1.00 0.00 C ATOM 383 CG GLU A 24 -59.174 92.313 8.517 1.00 0.00 C ATOM 384 CD GLU A 24 -57.690 92.059 8.617 1.00 0.00 C ATOM 385 OE1 GLU A 24 -56.911 93.021 8.573 1.00 0.00 O ATOM 386 OE2 GLU A 24 -57.261 90.886 8.705 1.00 0.00 O1- ATOM 0 H GLU A 24 -62.215 92.615 11.600 1.00 0.00 H new ATOM 0 HA GLU A 24 -61.383 93.913 9.126 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -59.249 93.449 10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -59.720 91.771 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -59.660 91.434 8.095 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -59.351 93.138 7.826 1.00 0.00 H new ATOM 393 N ASN A 25 -62.706 92.161 8.075 1.00 0.00 N ATOM 394 CA ASN A 25 -63.545 91.179 7.428 1.00 0.00 C ATOM 395 C ASN A 25 -62.765 90.494 6.334 1.00 0.00 C ATOM 396 O ASN A 25 -62.443 91.107 5.299 1.00 0.00 O ATOM 397 CB ASN A 25 -64.820 91.834 6.861 1.00 0.00 C ATOM 398 CG ASN A 25 -65.730 90.849 6.132 1.00 0.00 C ATOM 399 OD1 ASN A 25 -66.584 90.207 6.741 1.00 0.00 O ATOM 400 ND2 ASN A 25 -65.574 90.746 4.833 1.00 0.00 N ATOM 0 H ASN A 25 -62.613 93.037 7.561 1.00 0.00 H new ATOM 0 HA ASN A 25 -63.854 90.437 8.164 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -65.376 92.297 7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -64.536 92.632 6.175 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -66.172 90.118 4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -64.855 91.294 4.361 1.00 0.00 H new ATOM 407 N ALA A 26 -62.428 89.251 6.555 1.00 0.00 N ATOM 408 CA ALA A 26 -61.656 88.511 5.574 1.00 0.00 C ATOM 409 C ALA A 26 -61.875 87.031 5.699 1.00 0.00 C ATOM 410 O ALA A 26 -62.403 86.544 6.716 1.00 0.00 O ATOM 411 CB ALA A 26 -60.168 88.825 5.689 1.00 0.00 C ATOM 0 H ALA A 26 -62.670 88.727 7.396 1.00 0.00 H new ATOM 0 HA ALA A 26 -62.006 88.829 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -59.617 88.255 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -60.007 89.890 5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -59.815 88.554 6.684 1.00 0.00 H new ATOM 417 N THR A 27 -61.473 86.331 4.678 1.00 0.00 N ATOM 418 CA THR A 27 -61.552 84.918 4.633 1.00 0.00 C ATOM 419 C THR A 27 -60.157 84.325 4.819 1.00 0.00 C ATOM 420 O THR A 27 -59.240 84.601 4.054 1.00 0.00 O ATOM 421 CB THR A 27 -62.178 84.463 3.295 1.00 0.00 C ATOM 422 OG1 THR A 27 -63.528 84.938 3.203 1.00 0.00 O ATOM 423 CG2 THR A 27 -62.118 82.952 3.110 1.00 0.00 C ATOM 0 H THR A 27 -61.073 86.747 3.837 1.00 0.00 H new ATOM 0 HA THR A 27 -62.192 84.561 5.440 1.00 0.00 H new ATOM 0 HB THR A 27 -61.588 84.898 2.488 1.00 0.00 H new ATOM 0 HG1 THR A 27 -63.919 84.648 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 27 -62.570 82.684 2.155 1.00 0.00 H new ATOM 0 HG22 THR A 27 -61.078 82.625 3.123 1.00 0.00 H new ATOM 0 HG23 THR A 27 -62.662 82.465 3.919 1.00 0.00 H new ATOM 431 N PHE A 28 -60.018 83.539 5.825 1.00 0.00 N ATOM 432 CA PHE A 28 -58.796 82.895 6.147 1.00 0.00 C ATOM 433 C PHE A 28 -58.849 81.488 5.625 1.00 0.00 C ATOM 434 O PHE A 28 -59.795 80.754 5.888 1.00 0.00 O ATOM 435 CB PHE A 28 -58.572 82.901 7.673 1.00 0.00 C ATOM 436 CG PHE A 28 -57.427 82.037 8.145 1.00 0.00 C ATOM 437 CD1 PHE A 28 -56.114 82.431 7.965 1.00 0.00 C ATOM 438 CD2 PHE A 28 -57.677 80.825 8.774 1.00 0.00 C ATOM 439 CE1 PHE A 28 -55.074 81.633 8.398 1.00 0.00 C ATOM 440 CE2 PHE A 28 -56.643 80.027 9.208 1.00 0.00 C ATOM 441 CZ PHE A 28 -55.340 80.428 9.019 1.00 0.00 C ATOM 0 H PHE A 28 -60.778 83.319 6.469 1.00 0.00 H new ATOM 0 HA PHE A 28 -57.963 83.426 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -58.393 83.926 7.996 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -59.487 82.567 8.162 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -55.900 83.372 7.481 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -58.697 80.504 8.925 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -54.052 81.951 8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -56.854 79.087 9.696 1.00 0.00 H new ATOM 0 HZ PHE A 28 -54.527 79.802 9.356 1.00 0.00 H new ATOM 451 N VAL A 29 -57.885 81.142 4.847 1.00 0.00 N ATOM 452 CA VAL A 29 -57.786 79.814 4.319 1.00 0.00 C ATOM 453 C VAL A 29 -56.568 79.192 4.936 1.00 0.00 C ATOM 454 O VAL A 29 -55.455 79.631 4.662 1.00 0.00 O ATOM 455 CB VAL A 29 -57.653 79.803 2.771 1.00 0.00 C ATOM 456 CG1 VAL A 29 -57.634 78.375 2.236 1.00 0.00 C ATOM 457 CG2 VAL A 29 -58.774 80.603 2.122 1.00 0.00 C ATOM 0 H VAL A 29 -57.136 81.769 4.553 1.00 0.00 H new ATOM 0 HA VAL A 29 -58.694 79.260 4.556 1.00 0.00 H new ATOM 0 HB VAL A 29 -56.705 80.276 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -57.540 78.394 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -56.788 77.837 2.664 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -58.560 77.871 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -58.658 80.579 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -59.736 80.168 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -58.732 81.635 2.469 1.00 0.00 H new ATOM 467 N ASN A 30 -56.780 78.240 5.808 1.00 0.00 N ATOM 468 CA ASN A 30 -55.683 77.587 6.512 1.00 0.00 C ATOM 469 C ASN A 30 -54.807 76.807 5.539 1.00 0.00 C ATOM 470 O ASN A 30 -55.304 76.246 4.570 1.00 0.00 O ATOM 471 CB ASN A 30 -56.213 76.686 7.632 1.00 0.00 C ATOM 472 CG ASN A 30 -55.111 76.058 8.439 1.00 0.00 C ATOM 473 OD1 ASN A 30 -54.018 76.586 8.547 1.00 0.00 O ATOM 474 ND2 ASN A 30 -55.397 74.947 9.026 1.00 0.00 N ATOM 0 H ASN A 30 -57.706 77.891 6.055 1.00 0.00 H new ATOM 0 HA ASN A 30 -55.065 78.357 6.973 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -56.853 77.271 8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -56.834 75.902 7.199 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -54.698 74.481 9.604 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -56.323 74.534 8.913 1.00 0.00 H new ATOM 481 N GLY A 31 -53.526 76.773 5.803 1.00 0.00 N ATOM 482 CA GLY A 31 -52.592 76.163 4.908 1.00 0.00 C ATOM 483 C GLY A 31 -52.438 74.662 5.072 1.00 0.00 C ATOM 484 O GLY A 31 -53.339 73.890 4.751 1.00 0.00 O ATOM 0 H GLY A 31 -53.107 77.168 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -52.902 76.372 3.884 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -51.618 76.631 5.048 1.00 0.00 H new ATOM 488 N ASN A 32 -51.308 74.261 5.600 1.00 0.00 N ATOM 489 CA ASN A 32 -50.912 72.857 5.637 1.00 0.00 C ATOM 490 C ASN A 32 -51.128 72.245 7.020 1.00 0.00 C ATOM 491 O ASN A 32 -51.335 71.032 7.145 1.00 0.00 O ATOM 492 CB ASN A 32 -49.424 72.758 5.215 1.00 0.00 C ATOM 493 CG ASN A 32 -48.899 71.361 4.828 1.00 0.00 C ATOM 494 OD1 ASN A 32 -48.034 71.257 3.968 1.00 0.00 O ATOM 495 ND2 ASN A 32 -49.361 70.307 5.443 1.00 0.00 N ATOM 0 H ASN A 32 -50.628 74.894 6.020 1.00 0.00 H new ATOM 0 HA ASN A 32 -51.535 72.290 4.945 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -49.267 73.426 4.368 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -48.813 73.134 6.036 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -49.001 69.382 5.209 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -50.082 70.409 6.158 1.00 0.00 H new ATOM 502 N GLN A 33 -51.124 73.051 8.034 1.00 0.00 N ATOM 503 CA GLN A 33 -51.253 72.529 9.383 1.00 0.00 C ATOM 504 C GLN A 33 -52.583 72.902 10.006 1.00 0.00 C ATOM 505 O GLN A 33 -53.013 74.030 9.897 1.00 0.00 O ATOM 506 CB GLN A 33 -50.097 72.983 10.278 1.00 0.00 C ATOM 507 CG GLN A 33 -49.858 74.491 10.281 1.00 0.00 C ATOM 508 CD GLN A 33 -48.749 74.938 11.206 1.00 0.00 C ATOM 509 OE1 GLN A 33 -48.498 74.335 12.252 1.00 0.00 O ATOM 510 NE2 GLN A 33 -48.080 75.993 10.838 1.00 0.00 N ATOM 0 H GLN A 33 -51.034 74.065 7.969 1.00 0.00 H new ATOM 0 HA GLN A 33 -51.212 71.443 9.303 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -50.294 72.656 11.299 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -49.184 72.483 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -49.622 74.813 9.267 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -50.781 74.994 10.569 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -48.315 76.467 9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -47.321 76.345 11.422 1.00 0.00 H new ATOM 519 N PRO A 34 -53.271 71.944 10.634 1.00 0.00 N ATOM 520 CA PRO A 34 -54.512 72.217 11.339 1.00 0.00 C ATOM 521 C PRO A 34 -54.251 73.096 12.569 1.00 0.00 C ATOM 522 O PRO A 34 -53.248 72.913 13.274 1.00 0.00 O ATOM 523 CB PRO A 34 -55.032 70.840 11.753 1.00 0.00 C ATOM 524 CG PRO A 34 -53.863 69.924 11.668 1.00 0.00 C ATOM 525 CD PRO A 34 -52.890 70.530 10.694 1.00 0.00 C ATOM 0 HA PRO A 34 -55.230 72.758 10.723 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -55.438 70.863 12.764 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -55.836 70.511 11.094 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -53.400 69.800 12.647 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -54.174 68.934 11.335 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -51.861 70.409 11.033 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -52.961 70.057 9.715 1.00 0.00 H new ATOM 533 N ILE A 35 -55.135 74.030 12.829 1.00 0.00 N ATOM 534 CA ILE A 35 -54.895 74.991 13.883 1.00 0.00 C ATOM 535 C ILE A 35 -55.914 74.825 15.009 1.00 0.00 C ATOM 536 O ILE A 35 -57.100 74.648 14.757 1.00 0.00 O ATOM 537 CB ILE A 35 -54.962 76.445 13.360 1.00 0.00 C ATOM 538 CG1 ILE A 35 -54.375 76.538 11.929 1.00 0.00 C ATOM 539 CG2 ILE A 35 -54.201 77.358 14.315 1.00 0.00 C ATOM 540 CD1 ILE A 35 -54.076 77.945 11.457 1.00 0.00 C ATOM 0 H ILE A 35 -56.018 74.146 12.332 1.00 0.00 H new ATOM 0 HA ILE A 35 -53.891 74.800 14.261 1.00 0.00 H new ATOM 0 HB ILE A 35 -56.004 76.763 13.314 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -53.456 75.953 11.889 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -55.076 76.077 11.233 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -54.246 78.384 13.950 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -54.652 77.305 15.306 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -53.161 77.038 14.373 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -53.669 77.911 10.446 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -54.994 78.532 11.459 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -53.349 78.406 12.125 1.00 0.00 H new ATOM 552 N VAL A 36 -55.457 74.869 16.236 1.00 0.00 N ATOM 553 CA VAL A 36 -56.335 74.719 17.391 1.00 0.00 C ATOM 554 C VAL A 36 -57.100 76.030 17.634 1.00 0.00 C ATOM 555 O VAL A 36 -56.488 77.079 17.841 1.00 0.00 O ATOM 556 CB VAL A 36 -55.520 74.346 18.660 1.00 0.00 C ATOM 557 CG1 VAL A 36 -56.429 74.133 19.860 1.00 0.00 C ATOM 558 CG2 VAL A 36 -54.675 73.106 18.412 1.00 0.00 C ATOM 0 H VAL A 36 -54.474 75.008 16.471 1.00 0.00 H new ATOM 0 HA VAL A 36 -57.042 73.915 17.185 1.00 0.00 H new ATOM 0 HB VAL A 36 -54.857 75.182 18.883 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -55.827 73.873 20.731 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -56.985 75.049 20.063 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -57.128 73.324 19.648 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -54.113 72.863 19.313 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -55.324 72.270 18.152 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -53.982 73.296 17.592 1.00 0.00 H new ATOM 568 N THR A 37 -58.417 75.975 17.601 1.00 0.00 N ATOM 569 CA THR A 37 -59.214 77.171 17.796 1.00 0.00 C ATOM 570 C THR A 37 -59.616 77.300 19.271 1.00 0.00 C ATOM 571 O THR A 37 -59.653 76.295 20.002 1.00 0.00 O ATOM 572 CB THR A 37 -60.469 77.200 16.875 1.00 0.00 C ATOM 573 OG1 THR A 37 -61.362 76.138 17.201 1.00 0.00 O ATOM 574 CG2 THR A 37 -60.063 77.062 15.415 1.00 0.00 C ATOM 0 H THR A 37 -58.955 75.123 17.442 1.00 0.00 H new ATOM 0 HA THR A 37 -58.599 78.027 17.517 1.00 0.00 H new ATOM 0 HB THR A 37 -60.969 78.156 17.031 1.00 0.00 H new ATOM 0 HG1 THR A 37 -60.873 75.289 17.205 1.00 0.00 H new ATOM 0 HG21 THR A 37 -60.953 77.084 14.786 1.00 0.00 H new ATOM 0 HG22 THR A 37 -59.404 77.886 15.141 1.00 0.00 H new ATOM 0 HG23 THR A 37 -59.540 76.116 15.271 1.00 0.00 H new ATOM 582 N ARG A 38 -59.936 78.500 19.701 1.00 0.00 N ATOM 583 CA ARG A 38 -60.225 78.769 21.101 1.00 0.00 C ATOM 584 C ARG A 38 -61.514 79.537 21.207 1.00 0.00 C ATOM 585 O ARG A 38 -61.900 80.214 20.281 1.00 0.00 O ATOM 586 CB ARG A 38 -59.086 79.565 21.757 1.00 0.00 C ATOM 587 CG ARG A 38 -57.713 78.902 21.698 1.00 0.00 C ATOM 588 CD ARG A 38 -57.668 77.598 22.467 1.00 0.00 C ATOM 589 NE ARG A 38 -56.356 76.946 22.354 1.00 0.00 N ATOM 590 CZ ARG A 38 -55.881 76.018 23.192 1.00 0.00 C ATOM 591 NH1 ARG A 38 -56.539 75.728 24.320 1.00 0.00 N1+ ATOM 592 NH2 ARG A 38 -54.725 75.409 22.921 1.00 0.00 N ATOM 0 H ARG A 38 -60.004 79.318 19.096 1.00 0.00 H new ATOM 0 HA ARG A 38 -60.319 77.818 21.625 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -59.022 80.541 21.275 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -59.342 79.741 22.802 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -57.447 78.716 20.657 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -56.965 79.585 22.102 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -57.891 77.787 23.517 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -58.441 76.927 22.092 1.00 0.00 H new ATOM 0 HE ARG A 38 -55.760 77.223 21.574 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -57.407 76.215 24.544 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -56.173 75.020 24.956 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -54.206 75.652 22.077 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -54.360 74.701 23.558 1.00 0.00 H new ATOM 606 N ILE A 39 -62.166 79.432 22.321 1.00 0.00 N ATOM 607 CA ILE A 39 -63.450 80.052 22.495 1.00 0.00 C ATOM 608 C ILE A 39 -63.447 81.199 23.508 1.00 0.00 C ATOM 609 O ILE A 39 -62.762 81.149 24.535 1.00 0.00 O ATOM 610 CB ILE A 39 -64.535 78.984 22.818 1.00 0.00 C ATOM 611 CG1 ILE A 39 -64.734 78.101 21.584 1.00 0.00 C ATOM 612 CG2 ILE A 39 -65.844 79.599 23.282 1.00 0.00 C ATOM 613 CD1 ILE A 39 -65.895 77.148 21.654 1.00 0.00 C ATOM 0 H ILE A 39 -61.829 78.918 23.135 1.00 0.00 H new ATOM 0 HA ILE A 39 -63.703 80.520 21.544 1.00 0.00 H new ATOM 0 HB ILE A 39 -64.187 78.377 23.654 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -64.866 78.745 20.715 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -63.823 77.526 21.419 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -66.563 78.808 23.493 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -65.671 80.183 24.186 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -66.238 80.249 22.500 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -65.948 76.570 20.731 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -65.760 76.472 22.498 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -66.820 77.710 21.783 1.00 0.00 H new ATOM 625 N GLY A 40 -64.169 82.257 23.146 1.00 0.00 N ATOM 626 CA GLY A 40 -64.411 83.417 23.975 1.00 0.00 C ATOM 627 C GLY A 40 -63.315 84.443 23.915 1.00 0.00 C ATOM 628 O GLY A 40 -63.552 85.623 23.653 1.00 0.00 O ATOM 0 H GLY A 40 -64.615 82.324 22.231 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -65.348 83.882 23.669 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -64.538 83.094 25.008 1.00 0.00 H new ATOM 632 N SER A 41 -62.133 83.980 24.067 1.00 0.00 N ATOM 633 CA SER A 41 -60.982 84.828 24.233 1.00 0.00 C ATOM 634 C SER A 41 -59.799 84.315 23.407 1.00 0.00 C ATOM 635 O SER A 41 -59.718 83.116 23.113 1.00 0.00 O ATOM 636 CB SER A 41 -60.605 84.845 25.710 1.00 0.00 C ATOM 637 OG SER A 41 -61.731 85.145 26.520 1.00 0.00 O ATOM 0 H SER A 41 -61.918 82.983 24.082 1.00 0.00 H new ATOM 0 HA SER A 41 -61.224 85.833 23.887 1.00 0.00 H new ATOM 0 HB2 SER A 41 -60.195 83.876 25.995 1.00 0.00 H new ATOM 0 HB3 SER A 41 -59.823 85.585 25.881 1.00 0.00 H new ATOM 0 HG SER A 41 -61.464 85.148 27.463 1.00 0.00 H new ATOM 643 N PRO A 42 -58.869 85.205 23.021 1.00 0.00 N ATOM 644 CA PRO A 42 -57.692 84.837 22.272 1.00 0.00 C ATOM 645 C PRO A 42 -56.508 84.503 23.197 1.00 0.00 C ATOM 646 O PRO A 42 -55.519 85.229 23.257 1.00 0.00 O ATOM 647 CB PRO A 42 -57.397 86.097 21.442 1.00 0.00 C ATOM 648 CG PRO A 42 -58.152 87.222 22.096 1.00 0.00 C ATOM 649 CD PRO A 42 -58.888 86.654 23.276 1.00 0.00 C ATOM 0 HA PRO A 42 -57.844 83.943 21.667 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -56.328 86.307 21.421 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -57.716 85.965 20.408 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -57.467 88.008 22.415 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -58.850 87.674 21.392 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -58.395 86.904 24.216 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -59.906 87.038 23.338 1.00 0.00 H new ATOM 657 N PHE A 43 -56.635 83.423 23.931 1.00 0.00 N ATOM 658 CA PHE A 43 -55.588 82.971 24.840 1.00 0.00 C ATOM 659 C PHE A 43 -55.335 81.509 24.614 1.00 0.00 C ATOM 660 O PHE A 43 -56.223 80.788 24.158 1.00 0.00 O ATOM 661 CB PHE A 43 -55.965 83.173 26.314 1.00 0.00 C ATOM 662 CG PHE A 43 -56.060 84.605 26.780 1.00 0.00 C ATOM 663 CD1 PHE A 43 -57.224 85.328 26.621 1.00 0.00 C ATOM 664 CD2 PHE A 43 -54.981 85.215 27.400 1.00 0.00 C ATOM 665 CE1 PHE A 43 -57.320 86.633 27.065 1.00 0.00 C ATOM 666 CE2 PHE A 43 -55.065 86.520 27.846 1.00 0.00 C ATOM 667 CZ PHE A 43 -56.238 87.231 27.679 1.00 0.00 C ATOM 0 H PHE A 43 -57.463 82.828 23.921 1.00 0.00 H new ATOM 0 HA PHE A 43 -54.699 83.566 24.631 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -56.925 82.689 26.493 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -55.228 82.659 26.931 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -58.074 84.866 26.141 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -54.063 84.663 27.536 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -58.239 87.184 26.932 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -54.215 86.984 28.324 1.00 0.00 H new ATOM 0 HZ PHE A 43 -56.308 88.251 28.028 1.00 0.00 H new ATOM 677 N LEU A 44 -54.156 81.059 24.972 1.00 0.00 N ATOM 678 CA LEU A 44 -53.775 79.671 24.778 1.00 0.00 C ATOM 679 C LEU A 44 -54.427 78.776 25.819 1.00 0.00 C ATOM 680 O LEU A 44 -54.535 77.585 25.636 1.00 0.00 O ATOM 681 CB LEU A 44 -52.259 79.514 24.824 1.00 0.00 C ATOM 682 CG LEU A 44 -51.465 80.312 23.790 1.00 0.00 C ATOM 683 CD1 LEU A 44 -49.982 80.086 23.973 1.00 0.00 C ATOM 684 CD2 LEU A 44 -51.891 79.941 22.379 1.00 0.00 C ATOM 0 H LEU A 44 -53.434 81.636 25.404 1.00 0.00 H new ATOM 0 HA LEU A 44 -54.127 79.365 23.793 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -51.915 79.803 25.817 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -52.020 78.458 24.698 1.00 0.00 H new ATOM 0 HG LEU A 44 -51.675 81.371 23.941 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -49.432 80.662 23.229 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -49.686 80.407 24.972 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -49.758 79.026 23.851 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -51.313 80.521 21.660 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -51.715 78.878 22.213 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -52.952 80.157 22.250 1.00 0.00 H new ATOM 696 N ASN A 45 -54.859 79.360 26.918 1.00 0.00 N ATOM 697 CA ASN A 45 -55.540 78.590 27.966 1.00 0.00 C ATOM 698 C ASN A 45 -57.039 78.762 27.884 1.00 0.00 C ATOM 699 O ASN A 45 -57.777 78.480 28.838 1.00 0.00 O ATOM 700 CB ASN A 45 -55.026 78.938 29.367 1.00 0.00 C ATOM 701 CG ASN A 45 -53.623 78.421 29.621 1.00 0.00 C ATOM 702 OD1 ASN A 45 -52.639 79.101 29.353 1.00 0.00 O ATOM 703 ND2 ASN A 45 -53.516 77.213 30.124 1.00 0.00 N ATOM 0 H ASN A 45 -54.757 80.355 27.118 1.00 0.00 H new ATOM 0 HA ASN A 45 -55.306 77.540 27.789 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -55.039 80.020 29.496 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -55.703 78.520 30.112 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -52.594 76.815 30.303 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -54.355 76.673 30.336 1.00 0.00 H new ATOM 710 N ALA A 46 -57.497 79.217 26.747 1.00 0.00 N ATOM 711 CA ALA A 46 -58.909 79.344 26.500 1.00 0.00 C ATOM 712 C ALA A 46 -59.424 77.991 26.001 1.00 0.00 C ATOM 713 O ALA A 46 -58.644 77.215 25.425 1.00 0.00 O ATOM 714 CB ALA A 46 -59.164 80.448 25.478 1.00 0.00 C ATOM 0 H ALA A 46 -56.905 79.509 25.970 1.00 0.00 H new ATOM 0 HA ALA A 46 -59.438 79.619 27.412 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -60.235 80.536 25.298 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -58.781 81.394 25.861 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -58.658 80.203 24.544 1.00 0.00 H new ATOM 720 N PRO A 47 -60.716 77.674 26.228 1.00 0.00 N ATOM 721 CA PRO A 47 -61.306 76.395 25.809 1.00 0.00 C ATOM 722 C PRO A 47 -61.166 76.167 24.302 1.00 0.00 C ATOM 723 O PRO A 47 -61.249 77.109 23.509 1.00 0.00 O ATOM 724 CB PRO A 47 -62.791 76.529 26.195 1.00 0.00 C ATOM 725 CG PRO A 47 -63.005 77.983 26.454 1.00 0.00 C ATOM 726 CD PRO A 47 -61.696 78.510 26.942 1.00 0.00 C ATOM 0 HA PRO A 47 -60.811 75.546 26.280 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -63.439 76.174 25.394 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -63.022 75.935 27.079 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -63.320 78.499 25.547 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -63.789 78.136 27.196 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -61.573 79.567 26.706 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -61.599 78.412 28.023 1.00 0.00 H new ATOM 734 N VAL A 48 -60.937 74.929 23.924 1.00 0.00 N ATOM 735 CA VAL A 48 -60.720 74.568 22.535 1.00 0.00 C ATOM 736 C VAL A 48 -62.061 74.485 21.822 1.00 0.00 C ATOM 737 O VAL A 48 -62.971 73.775 22.264 1.00 0.00 O ATOM 738 CB VAL A 48 -59.966 73.203 22.409 1.00 0.00 C ATOM 739 CG1 VAL A 48 -59.676 72.829 20.951 1.00 0.00 C ATOM 740 CG2 VAL A 48 -58.680 73.210 23.218 1.00 0.00 C ATOM 0 H VAL A 48 -60.895 74.141 24.570 1.00 0.00 H new ATOM 0 HA VAL A 48 -60.099 75.336 22.074 1.00 0.00 H new ATOM 0 HB VAL A 48 -60.632 72.442 22.816 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -59.152 71.874 20.918 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -60.615 72.747 20.403 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -59.055 73.600 20.494 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -58.178 72.249 23.111 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -58.026 74.003 22.855 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -58.912 73.383 24.269 1.00 0.00 H new ATOM 750 N GLY A 49 -62.180 75.202 20.734 1.00 0.00 N ATOM 751 CA GLY A 49 -63.419 75.225 19.980 1.00 0.00 C ATOM 752 C GLY A 49 -63.394 74.250 18.837 1.00 0.00 C ATOM 753 O GLY A 49 -64.297 74.225 17.992 1.00 0.00 O ATOM 0 H GLY A 49 -61.435 75.781 20.345 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -64.252 74.988 20.642 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -63.593 76.230 19.597 1.00 0.00 H new ATOM 757 N GLY A 50 -62.365 73.462 18.813 1.00 0.00 N ATOM 758 CA GLY A 50 -62.169 72.498 17.785 1.00 0.00 C ATOM 759 C GLY A 50 -60.857 72.753 17.118 1.00 0.00 C ATOM 760 O GLY A 50 -60.206 73.781 17.388 1.00 0.00 O ATOM 0 H GLY A 50 -61.629 73.473 19.519 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -62.188 71.492 18.204 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -62.978 72.555 17.057 1.00 0.00 H new ATOM 764 N ASN A 51 -60.434 71.869 16.294 1.00 0.00 N ATOM 765 CA ASN A 51 -59.199 72.065 15.602 1.00 0.00 C ATOM 766 C ASN A 51 -59.499 72.236 14.150 1.00 0.00 C ATOM 767 O ASN A 51 -60.058 71.339 13.508 1.00 0.00 O ATOM 768 CB ASN A 51 -58.192 70.923 15.844 1.00 0.00 C ATOM 769 CG ASN A 51 -57.740 70.786 17.306 1.00 0.00 C ATOM 770 OD1 ASN A 51 -58.487 71.050 18.249 1.00 0.00 O ATOM 771 ND2 ASN A 51 -56.519 70.398 17.504 1.00 0.00 N ATOM 0 H ASN A 51 -60.919 70.999 16.076 1.00 0.00 H new ATOM 0 HA ASN A 51 -58.715 72.961 15.991 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -58.641 69.983 15.524 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -57.315 71.087 15.217 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -56.161 70.306 18.455 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -55.917 70.184 16.709 1.00 0.00 H new ATOM 778 N LEU A 52 -59.173 73.390 13.645 1.00 0.00 N ATOM 779 CA LEU A 52 -59.454 73.762 12.284 1.00 0.00 C ATOM 780 C LEU A 52 -58.616 72.953 11.343 1.00 0.00 C ATOM 781 O LEU A 52 -57.399 72.926 11.471 1.00 0.00 O ATOM 782 CB LEU A 52 -59.150 75.235 12.052 1.00 0.00 C ATOM 783 CG LEU A 52 -59.476 75.733 10.655 1.00 0.00 C ATOM 784 CD1 LEU A 52 -60.960 75.933 10.483 1.00 0.00 C ATOM 785 CD2 LEU A 52 -58.702 76.974 10.308 1.00 0.00 C ATOM 0 H LEU A 52 -58.694 74.116 14.177 1.00 0.00 H new ATOM 0 HA LEU A 52 -60.512 73.575 12.101 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -59.711 75.827 12.775 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -58.092 75.410 12.249 1.00 0.00 H new ATOM 0 HG LEU A 52 -59.164 74.961 9.951 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -61.164 76.290 9.474 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -61.476 74.987 10.645 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -61.314 76.667 11.206 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -58.965 77.297 9.301 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -58.945 77.765 11.018 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -57.634 76.761 10.354 1.00 0.00 H new ATOM 797 N PRO A 53 -59.252 72.291 10.393 1.00 0.00 N ATOM 798 CA PRO A 53 -58.558 71.509 9.405 1.00 0.00 C ATOM 799 C PRO A 53 -57.642 72.358 8.511 1.00 0.00 C ATOM 800 O PRO A 53 -57.818 73.583 8.371 1.00 0.00 O ATOM 801 CB PRO A 53 -59.653 70.894 8.555 1.00 0.00 C ATOM 802 CG PRO A 53 -60.960 71.436 9.019 1.00 0.00 C ATOM 803 CD PRO A 53 -60.719 72.251 10.233 1.00 0.00 C ATOM 0 HA PRO A 53 -57.913 70.776 9.889 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -59.495 71.130 7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -59.639 69.808 8.644 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -61.418 72.043 8.238 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -61.652 70.623 9.238 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -61.129 73.254 10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -61.198 71.807 11.106 1.00 0.00 H new ATOM 811 N ALA A 54 -56.665 71.719 7.941 1.00 0.00 N ATOM 812 CA ALA A 54 -55.767 72.350 7.018 1.00 0.00 C ATOM 813 C ALA A 54 -56.473 72.493 5.683 1.00 0.00 C ATOM 814 O ALA A 54 -57.021 71.521 5.164 1.00 0.00 O ATOM 815 CB ALA A 54 -54.513 71.515 6.877 1.00 0.00 C ATOM 0 H ALA A 54 -56.466 70.732 8.105 1.00 0.00 H new ATOM 0 HA ALA A 54 -55.478 73.337 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -53.832 71.997 6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -54.027 71.422 7.848 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -54.775 70.524 6.506 1.00 0.00 H new ATOM 821 N GLY A 55 -56.474 73.681 5.144 1.00 0.00 N ATOM 822 CA GLY A 55 -57.184 73.937 3.913 1.00 0.00 C ATOM 823 C GLY A 55 -58.634 74.292 4.163 1.00 0.00 C ATOM 824 O GLY A 55 -59.481 74.145 3.280 1.00 0.00 O ATOM 0 H GLY A 55 -55.992 74.490 5.535 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -56.698 74.751 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -57.131 73.056 3.273 1.00 0.00 H new ATOM 828 N ALA A 56 -58.928 74.739 5.369 1.00 0.00 N ATOM 829 CA ALA A 56 -60.273 75.120 5.727 1.00 0.00 C ATOM 830 C ALA A 56 -60.477 76.612 5.544 1.00 0.00 C ATOM 831 O ALA A 56 -59.550 77.407 5.750 1.00 0.00 O ATOM 832 CB ALA A 56 -60.581 74.722 7.146 1.00 0.00 C ATOM 0 H ALA A 56 -58.245 74.846 6.119 1.00 0.00 H new ATOM 0 HA ALA A 56 -60.959 74.594 5.063 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -61.600 75.019 7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -60.482 73.642 7.250 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -59.884 75.217 7.822 1.00 0.00 H new ATOM 838 N THR A 57 -61.669 76.970 5.162 1.00 0.00 N ATOM 839 CA THR A 57 -62.049 78.324 4.923 1.00 0.00 C ATOM 840 C THR A 57 -62.784 78.926 6.137 1.00 0.00 C ATOM 841 O THR A 57 -63.822 78.415 6.584 1.00 0.00 O ATOM 842 CB THR A 57 -62.945 78.368 3.673 1.00 0.00 C ATOM 843 OG1 THR A 57 -63.908 77.289 3.740 1.00 0.00 O ATOM 844 CG2 THR A 57 -62.118 78.227 2.403 1.00 0.00 C ATOM 0 H THR A 57 -62.424 76.303 5.005 1.00 0.00 H new ATOM 0 HA THR A 57 -61.153 78.923 4.762 1.00 0.00 H new ATOM 0 HB THR A 57 -63.456 79.330 3.646 1.00 0.00 H new ATOM 0 HG1 THR A 57 -64.256 77.217 4.653 1.00 0.00 H new ATOM 0 HG21 THR A 57 -62.776 78.261 1.535 1.00 0.00 H new ATOM 0 HG22 THR A 57 -61.398 79.043 2.345 1.00 0.00 H new ATOM 0 HG23 THR A 57 -61.587 77.275 2.418 1.00 0.00 H new ATOM 852 N ILE A 58 -62.241 79.976 6.668 1.00 0.00 N ATOM 853 CA ILE A 58 -62.800 80.691 7.794 1.00 0.00 C ATOM 854 C ILE A 58 -63.121 82.117 7.390 1.00 0.00 C ATOM 855 O ILE A 58 -62.338 82.753 6.738 1.00 0.00 O ATOM 856 CB ILE A 58 -61.774 80.729 8.975 1.00 0.00 C ATOM 857 CG1 ILE A 58 -61.670 79.375 9.665 1.00 0.00 C ATOM 858 CG2 ILE A 58 -62.107 81.822 9.993 1.00 0.00 C ATOM 859 CD1 ILE A 58 -62.889 79.032 10.495 1.00 0.00 C ATOM 0 H ILE A 58 -61.369 80.379 6.326 1.00 0.00 H new ATOM 0 HA ILE A 58 -63.707 80.177 8.111 1.00 0.00 H new ATOM 0 HB ILE A 58 -60.805 80.969 8.537 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -61.522 78.601 8.912 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -60.789 79.368 10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -61.368 81.810 10.794 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -62.093 82.794 9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -63.098 81.641 10.410 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -62.750 78.056 10.959 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -63.025 79.786 11.270 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -63.770 79.007 9.854 1.00 0.00 H new ATOM 871 N VAL A 59 -64.265 82.598 7.756 1.00 0.00 N ATOM 872 CA VAL A 59 -64.570 83.988 7.560 1.00 0.00 C ATOM 873 C VAL A 59 -64.571 84.634 8.925 1.00 0.00 C ATOM 874 O VAL A 59 -65.359 84.245 9.791 1.00 0.00 O ATOM 875 CB VAL A 59 -65.941 84.211 6.888 1.00 0.00 C ATOM 876 CG1 VAL A 59 -66.187 85.698 6.682 1.00 0.00 C ATOM 877 CG2 VAL A 59 -66.020 83.467 5.562 1.00 0.00 C ATOM 0 H VAL A 59 -65.008 82.053 8.193 1.00 0.00 H new ATOM 0 HA VAL A 59 -63.825 84.423 6.894 1.00 0.00 H new ATOM 0 HB VAL A 59 -66.716 83.815 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -67.157 85.844 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -66.175 86.206 7.646 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -65.405 86.111 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -66.995 83.639 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -65.238 83.829 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -65.883 82.400 5.735 1.00 0.00 H new ATOM 887 N TYR A 60 -63.687 85.565 9.139 1.00 0.00 N ATOM 888 CA TYR A 60 -63.594 86.201 10.425 1.00 0.00 C ATOM 889 C TYR A 60 -64.037 87.640 10.348 1.00 0.00 C ATOM 890 O TYR A 60 -64.308 88.159 9.252 1.00 0.00 O ATOM 891 CB TYR A 60 -62.185 86.070 11.038 1.00 0.00 C ATOM 892 CG TYR A 60 -61.071 86.697 10.223 1.00 0.00 C ATOM 893 CD1 TYR A 60 -60.743 88.033 10.384 1.00 0.00 C ATOM 894 CD2 TYR A 60 -60.339 85.951 9.311 1.00 0.00 C ATOM 895 CE1 TYR A 60 -59.731 88.609 9.665 1.00 0.00 C ATOM 896 CE2 TYR A 60 -59.319 86.528 8.583 1.00 0.00 C ATOM 897 CZ TYR A 60 -59.024 87.858 8.767 1.00 0.00 C ATOM 898 OH TYR A 60 -58.011 88.439 8.054 1.00 0.00 O ATOM 0 H TYR A 60 -63.021 85.901 8.443 1.00 0.00 H new ATOM 0 HA TYR A 60 -64.274 85.677 11.097 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -62.192 86.527 12.028 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -61.962 85.012 11.176 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -61.297 88.632 11.091 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -60.570 84.906 9.169 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -59.492 89.653 9.806 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -58.756 85.939 7.874 1.00 0.00 H new ATOM 0 HH TYR A 60 -57.841 89.339 8.402 1.00 0.00 H new ATOM 908 N ASP A 61 -64.129 88.275 11.489 1.00 0.00 N ATOM 909 CA ASP A 61 -64.543 89.658 11.552 1.00 0.00 C ATOM 910 C ASP A 61 -63.600 90.481 12.423 1.00 0.00 C ATOM 911 O ASP A 61 -63.789 91.691 12.592 1.00 0.00 O ATOM 912 CB ASP A 61 -65.993 89.778 12.068 1.00 0.00 C ATOM 913 CG ASP A 61 -66.187 89.297 13.515 1.00 0.00 C ATOM 914 OD1 ASP A 61 -66.653 88.150 13.734 1.00 0.00 O ATOM 915 OD2 ASP A 61 -65.882 90.051 14.456 1.00 0.00 O1- ATOM 0 H ASP A 61 -63.921 87.854 12.395 1.00 0.00 H new ATOM 0 HA ASP A 61 -64.503 90.057 10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -66.307 90.819 11.998 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -66.648 89.202 11.414 1.00 0.00 H new ATOM 920 N GLU A 62 -62.555 89.863 12.931 1.00 0.00 N ATOM 921 CA GLU A 62 -61.666 90.558 13.840 1.00 0.00 C ATOM 922 C GLU A 62 -60.309 89.883 13.864 1.00 0.00 C ATOM 923 O GLU A 62 -60.203 88.692 13.583 1.00 0.00 O ATOM 924 CB GLU A 62 -62.285 90.496 15.229 1.00 0.00 C ATOM 925 CG GLU A 62 -61.569 91.244 16.327 1.00 0.00 C ATOM 926 CD GLU A 62 -62.256 91.012 17.660 1.00 0.00 C ATOM 927 OE1 GLU A 62 -62.509 89.841 18.024 1.00 0.00 O ATOM 928 OE2 GLU A 62 -62.583 91.985 18.358 1.00 0.00 O1- ATOM 0 H GLU A 62 -62.302 88.895 12.735 1.00 0.00 H new ATOM 0 HA GLU A 62 -61.532 91.591 13.518 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -63.303 90.880 15.165 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -62.357 89.449 15.522 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -60.531 90.915 16.383 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -61.553 92.310 16.099 1.00 0.00 H new ATOM 935 N VAL A 63 -59.287 90.642 14.166 1.00 0.00 N ATOM 936 CA VAL A 63 -57.956 90.112 14.374 1.00 0.00 C ATOM 937 C VAL A 63 -57.509 90.613 15.728 1.00 0.00 C ATOM 938 O VAL A 63 -57.727 91.777 16.047 1.00 0.00 O ATOM 939 CB VAL A 63 -56.932 90.608 13.317 1.00 0.00 C ATOM 940 CG1 VAL A 63 -55.618 89.869 13.423 1.00 0.00 C ATOM 941 CG2 VAL A 63 -57.476 90.541 11.917 1.00 0.00 C ATOM 0 H VAL A 63 -59.352 91.654 14.276 1.00 0.00 H new ATOM 0 HA VAL A 63 -57.994 89.025 14.297 1.00 0.00 H new ATOM 0 HB VAL A 63 -56.745 91.659 13.539 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -54.928 90.244 12.667 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -55.191 90.026 14.414 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -55.786 88.804 13.264 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -56.722 90.899 11.216 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -57.735 89.510 11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -58.366 91.166 11.842 1.00 0.00 H new ATOM 951 N CYS A 64 -56.950 89.756 16.520 1.00 0.00 N ATOM 952 CA CYS A 64 -56.479 90.110 17.839 1.00 0.00 C ATOM 953 C CYS A 64 -55.032 89.687 18.032 1.00 0.00 C ATOM 954 O CYS A 64 -54.551 88.810 17.348 1.00 0.00 O ATOM 955 CB CYS A 64 -57.350 89.453 18.901 1.00 0.00 C ATOM 956 SG CYS A 64 -59.076 89.954 18.844 1.00 0.00 S ATOM 0 H CYS A 64 -56.801 88.777 16.275 1.00 0.00 H new ATOM 0 HA CYS A 64 -56.540 91.194 17.939 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -57.292 88.371 18.785 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -56.946 89.690 19.885 1.00 0.00 H new ATOM 0 HG CYS A 64 -59.812 89.040 19.403 1.00 0.00 H new ATOM 962 N ILE A 65 -54.352 90.348 18.928 1.00 0.00 N ATOM 963 CA ILE A 65 -52.995 90.017 19.306 1.00 0.00 C ATOM 964 C ILE A 65 -52.963 89.815 20.807 1.00 0.00 C ATOM 965 O ILE A 65 -53.238 90.757 21.580 1.00 0.00 O ATOM 966 CB ILE A 65 -51.977 91.135 18.908 1.00 0.00 C ATOM 967 CG1 ILE A 65 -52.010 91.359 17.389 1.00 0.00 C ATOM 968 CG2 ILE A 65 -50.554 90.784 19.382 1.00 0.00 C ATOM 969 CD1 ILE A 65 -51.056 92.417 16.887 1.00 0.00 C ATOM 0 H ILE A 65 -54.730 91.151 19.430 1.00 0.00 H new ATOM 0 HA ILE A 65 -52.698 89.112 18.776 1.00 0.00 H new ATOM 0 HB ILE A 65 -52.269 92.061 19.404 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -51.781 90.417 16.891 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -53.023 91.635 17.098 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -49.867 91.579 19.091 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -50.548 90.677 20.467 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -50.239 89.847 18.924 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -51.148 92.506 15.805 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -51.296 93.373 17.352 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -50.034 92.136 17.142 1.00 0.00 H new ATOM 981 N GLN A 66 -52.690 88.598 21.215 1.00 0.00 N ATOM 982 CA GLN A 66 -52.627 88.242 22.612 1.00 0.00 C ATOM 983 C GLN A 66 -51.930 86.901 22.739 1.00 0.00 C ATOM 984 O GLN A 66 -51.951 86.099 21.789 1.00 0.00 O ATOM 985 CB GLN A 66 -54.041 88.176 23.216 1.00 0.00 C ATOM 986 CG GLN A 66 -54.077 87.980 24.728 1.00 0.00 C ATOM 987 CD GLN A 66 -53.365 89.090 25.498 1.00 0.00 C ATOM 988 OE1 GLN A 66 -52.831 88.861 26.582 1.00 0.00 O ATOM 989 NE2 GLN A 66 -53.340 90.276 24.955 1.00 0.00 N ATOM 0 H GLN A 66 -52.504 87.821 20.581 1.00 0.00 H new ATOM 0 HA GLN A 66 -52.067 89.000 23.160 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -54.570 89.096 22.969 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -54.586 87.359 22.744 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -55.115 87.928 25.056 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -53.617 87.023 24.974 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -53.792 90.434 24.055 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -52.868 91.045 25.431 1.00 0.00 H new ATOM 998 N ALA A 67 -51.256 86.686 23.870 1.00 0.00 N ATOM 999 CA ALA A 67 -50.552 85.440 24.173 1.00 0.00 C ATOM 1000 C ALA A 67 -49.438 85.206 23.151 1.00 0.00 C ATOM 1001 O ALA A 67 -49.094 84.063 22.822 1.00 0.00 O ATOM 1002 CB ALA A 67 -51.530 84.255 24.217 1.00 0.00 C ATOM 0 H ALA A 67 -51.183 87.383 24.611 1.00 0.00 H new ATOM 0 HA ALA A 67 -50.098 85.524 25.160 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -50.983 83.340 24.444 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -52.280 84.430 24.989 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -52.022 84.153 23.250 1.00 0.00 H new ATOM 1008 N GLY A 68 -48.901 86.311 22.633 1.00 0.00 N ATOM 1009 CA GLY A 68 -47.826 86.278 21.655 1.00 0.00 C ATOM 1010 C GLY A 68 -48.275 85.786 20.293 1.00 0.00 C ATOM 1011 O GLY A 68 -47.456 85.504 19.417 1.00 0.00 O ATOM 0 H GLY A 68 -49.203 87.253 22.883 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -47.405 87.278 21.553 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -47.028 85.633 22.023 1.00 0.00 H new ATOM 1015 N HIS A 69 -49.554 85.633 20.124 1.00 0.00 N ATOM 1016 CA HIS A 69 -50.105 85.148 18.892 1.00 0.00 C ATOM 1017 C HIS A 69 -51.052 86.154 18.298 1.00 0.00 C ATOM 1018 O HIS A 69 -51.569 87.020 19.005 1.00 0.00 O ATOM 1019 CB HIS A 69 -50.810 83.799 19.099 1.00 0.00 C ATOM 1020 CG HIS A 69 -49.883 82.655 19.383 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -49.296 82.421 20.612 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -49.432 81.676 18.574 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -48.535 81.353 20.534 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -48.600 80.885 19.311 1.00 0.00 N ATOM 0 H HIS A 69 -50.249 85.842 20.840 1.00 0.00 H new ATOM 0 HA HIS A 69 -49.282 84.997 18.193 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -51.515 83.894 19.925 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -51.393 83.566 18.208 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -49.432 82.989 21.449 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -49.683 81.542 17.532 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -47.954 80.932 21.341 1.00 0.00 H new ATOM 1033 N ILE A 70 -51.252 86.054 17.015 1.00 0.00 N ATOM 1034 CA ILE A 70 -52.230 86.845 16.335 1.00 0.00 C ATOM 1035 C ILE A 70 -53.386 85.920 16.039 1.00 0.00 C ATOM 1036 O ILE A 70 -53.175 84.789 15.572 1.00 0.00 O ATOM 1037 CB ILE A 70 -51.677 87.474 15.030 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -50.462 88.353 15.350 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -52.750 88.274 14.314 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -49.955 89.195 14.192 1.00 0.00 C ATOM 0 H ILE A 70 -50.736 85.416 16.409 1.00 0.00 H new ATOM 0 HA ILE A 70 -52.534 87.687 16.957 1.00 0.00 H new ATOM 0 HB ILE A 70 -51.364 86.672 14.362 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -50.720 89.016 16.176 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -49.651 87.713 15.696 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -52.336 88.704 13.402 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -53.583 87.619 14.060 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -53.103 89.074 14.965 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -49.095 89.781 14.517 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -49.660 88.543 13.370 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -50.746 89.866 13.857 1.00 0.00 H new ATOM 1052 N TRP A 71 -54.568 86.367 16.314 1.00 0.00 N ATOM 1053 CA TRP A 71 -55.736 85.536 16.265 1.00 0.00 C ATOM 1054 C TRP A 71 -56.768 86.175 15.406 1.00 0.00 C ATOM 1055 O TRP A 71 -56.782 87.381 15.252 1.00 0.00 O ATOM 1056 CB TRP A 71 -56.355 85.402 17.661 1.00 0.00 C ATOM 1057 CG TRP A 71 -55.452 84.896 18.738 1.00 0.00 C ATOM 1058 CD1 TRP A 71 -54.486 85.597 19.391 1.00 0.00 C ATOM 1059 CD2 TRP A 71 -55.475 83.602 19.329 1.00 0.00 C ATOM 1060 NE1 TRP A 71 -53.892 84.811 20.331 1.00 0.00 N ATOM 1061 CE2 TRP A 71 -54.479 83.580 20.320 1.00 0.00 C ATOM 1062 CE3 TRP A 71 -56.235 82.459 19.114 1.00 0.00 C ATOM 1063 CZ2 TRP A 71 -54.224 82.458 21.093 1.00 0.00 C ATOM 1064 CZ3 TRP A 71 -55.984 81.347 19.883 1.00 0.00 C ATOM 1065 CH2 TRP A 71 -54.990 81.351 20.861 1.00 0.00 C ATOM 0 H TRP A 71 -54.757 87.333 16.583 1.00 0.00 H new ATOM 0 HA TRP A 71 -55.437 84.562 15.877 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -56.734 86.378 17.963 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -57.214 84.734 17.592 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -54.228 86.627 19.193 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -53.130 85.097 20.945 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -57.007 82.444 18.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -53.451 82.459 21.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -56.569 80.452 19.726 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -54.822 80.460 21.448 1.00 0.00 H new ATOM 1076 N ILE A 72 -57.611 85.383 14.857 1.00 0.00 N ATOM 1077 CA ILE A 72 -58.752 85.871 14.157 1.00 0.00 C ATOM 1078 C ILE A 72 -59.984 85.563 14.968 1.00 0.00 C ATOM 1079 O ILE A 72 -60.104 84.471 15.538 1.00 0.00 O ATOM 1080 CB ILE A 72 -58.882 85.292 12.745 1.00 0.00 C ATOM 1081 CG1 ILE A 72 -58.870 83.755 12.780 1.00 0.00 C ATOM 1082 CG2 ILE A 72 -57.766 85.846 11.863 1.00 0.00 C ATOM 1083 CD1 ILE A 72 -59.237 83.111 11.473 1.00 0.00 C ATOM 0 H ILE A 72 -57.533 84.366 14.878 1.00 0.00 H new ATOM 0 HA ILE A 72 -58.634 86.947 14.032 1.00 0.00 H new ATOM 0 HB ILE A 72 -59.839 85.593 12.319 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -57.877 83.416 13.074 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -59.563 83.414 13.549 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -57.858 85.434 10.858 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -57.843 86.932 11.818 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -56.799 85.568 12.282 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -59.205 82.027 11.580 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -60.243 83.418 11.186 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -58.530 83.420 10.704 1.00 0.00 H new ATOM 1095 N GLY A 73 -60.848 86.516 15.063 1.00 0.00 N ATOM 1096 CA GLY A 73 -62.037 86.361 15.823 1.00 0.00 C ATOM 1097 C GLY A 73 -63.226 86.247 14.940 1.00 0.00 C ATOM 1098 O GLY A 73 -63.396 87.046 14.003 1.00 0.00 O ATOM 0 H GLY A 73 -60.747 87.426 14.614 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -61.959 85.472 16.449 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -62.158 87.213 16.492 1.00 0.00 H new ATOM 1102 N TYR A 74 -64.018 85.256 15.192 1.00 0.00 N ATOM 1103 CA TYR A 74 -65.222 85.036 14.461 1.00 0.00 C ATOM 1104 C TYR A 74 -66.239 84.438 15.393 1.00 0.00 C ATOM 1105 O TYR A 74 -65.914 84.132 16.550 1.00 0.00 O ATOM 1106 CB TYR A 74 -64.970 84.145 13.220 1.00 0.00 C ATOM 1107 CG TYR A 74 -64.306 82.812 13.490 1.00 0.00 C ATOM 1108 CD1 TYR A 74 -65.056 81.661 13.678 1.00 0.00 C ATOM 1109 CD2 TYR A 74 -62.921 82.710 13.536 1.00 0.00 C ATOM 1110 CE1 TYR A 74 -64.446 80.448 13.908 1.00 0.00 C ATOM 1111 CE2 TYR A 74 -62.301 81.502 13.768 1.00 0.00 C ATOM 1112 CZ TYR A 74 -63.067 80.372 13.953 1.00 0.00 C ATOM 1113 OH TYR A 74 -62.452 79.157 14.182 1.00 0.00 O ATOM 0 H TYR A 74 -63.843 84.566 15.923 1.00 0.00 H new ATOM 0 HA TYR A 74 -65.604 85.982 14.078 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -65.925 83.961 12.728 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -64.351 84.702 12.516 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -66.134 81.717 13.644 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -62.319 83.594 13.387 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -65.043 79.560 14.053 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -61.223 81.441 13.805 1.00 0.00 H new ATOM 0 HH TYR A 74 -61.479 79.277 14.182 1.00 0.00 H new ATOM 1123 N ASN A 75 -67.443 84.309 14.949 1.00 0.00 N ATOM 1124 CA ASN A 75 -68.465 83.732 15.774 1.00 0.00 C ATOM 1125 C ASN A 75 -68.816 82.372 15.286 1.00 0.00 C ATOM 1126 O ASN A 75 -68.812 82.114 14.080 1.00 0.00 O ATOM 1127 CB ASN A 75 -69.735 84.596 15.846 1.00 0.00 C ATOM 1128 CG ASN A 75 -69.528 85.928 16.535 1.00 0.00 C ATOM 1129 OD1 ASN A 75 -68.656 86.082 17.399 1.00 0.00 O ATOM 1130 ND2 ASN A 75 -70.336 86.886 16.198 1.00 0.00 N ATOM 0 H ASN A 75 -67.750 84.594 14.019 1.00 0.00 H new ATOM 0 HA ASN A 75 -68.054 83.674 16.782 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -70.101 84.773 14.835 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -70.511 84.041 16.373 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -70.262 87.798 16.649 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -71.045 86.727 15.482 1.00 0.00 H new ATOM 1137 N ALA A 76 -69.082 81.495 16.209 1.00 0.00 N ATOM 1138 CA ALA A 76 -69.528 80.167 15.887 1.00 0.00 C ATOM 1139 C ALA A 76 -71.019 80.215 15.608 1.00 0.00 C ATOM 1140 O ALA A 76 -71.639 81.266 15.752 1.00 0.00 O ATOM 1141 CB ALA A 76 -69.249 79.226 17.044 1.00 0.00 C ATOM 0 H ALA A 76 -68.996 81.679 17.209 1.00 0.00 H new ATOM 0 HA ALA A 76 -68.995 79.801 15.010 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -69.591 78.223 16.788 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -68.178 79.204 17.245 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -69.777 79.574 17.932 1.00 0.00 H new ATOM 1147 N TYR A 77 -71.595 79.088 15.259 1.00 0.00 N ATOM 1148 CA TYR A 77 -73.019 78.993 14.980 1.00 0.00 C ATOM 1149 C TYR A 77 -73.849 79.353 16.233 1.00 0.00 C ATOM 1150 O TYR A 77 -74.952 79.865 16.124 1.00 0.00 O ATOM 1151 CB TYR A 77 -73.351 77.594 14.438 1.00 0.00 C ATOM 1152 CG TYR A 77 -74.786 77.391 14.038 1.00 0.00 C ATOM 1153 CD1 TYR A 77 -75.648 76.661 14.837 1.00 0.00 C ATOM 1154 CD2 TYR A 77 -75.274 77.920 12.856 1.00 0.00 C ATOM 1155 CE1 TYR A 77 -76.958 76.461 14.468 1.00 0.00 C ATOM 1156 CE2 TYR A 77 -76.584 77.730 12.479 1.00 0.00 C ATOM 1157 CZ TYR A 77 -77.422 76.997 13.288 1.00 0.00 C ATOM 1158 OH TYR A 77 -78.730 76.799 12.913 1.00 0.00 O ATOM 0 H TYR A 77 -71.093 78.206 15.159 1.00 0.00 H new ATOM 0 HA TYR A 77 -73.287 79.718 14.211 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -72.717 77.396 13.574 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -73.094 76.856 15.198 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -75.287 76.242 15.765 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -74.616 78.492 12.219 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -77.619 75.887 15.100 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -76.951 78.153 11.556 1.00 0.00 H new ATOM 0 HH TYR A 77 -78.896 77.244 12.056 1.00 0.00 H new ATOM 1168 N ASN A 78 -73.272 79.117 17.416 1.00 0.00 N ATOM 1169 CA ASN A 78 -73.896 79.519 18.708 1.00 0.00 C ATOM 1170 C ASN A 78 -73.865 81.029 18.878 1.00 0.00 C ATOM 1171 O ASN A 78 -74.608 81.600 19.671 1.00 0.00 O ATOM 1172 CB ASN A 78 -73.136 78.930 19.915 1.00 0.00 C ATOM 1173 CG ASN A 78 -73.327 77.450 20.149 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -73.578 76.686 19.236 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -73.189 77.032 21.375 1.00 0.00 N ATOM 0 H ASN A 78 -72.371 78.649 17.519 1.00 0.00 H new ATOM 0 HA ASN A 78 -74.919 79.143 18.678 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -72.072 79.124 19.781 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -73.447 79.464 20.813 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -73.291 76.040 21.590 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -72.979 77.696 22.120 1.00 0.00 H new ATOM 1182 N GLY A 79 -72.995 81.670 18.130 1.00 0.00 N ATOM 1183 CA GLY A 79 -72.763 83.080 18.297 1.00 0.00 C ATOM 1184 C GLY A 79 -71.613 83.306 19.249 1.00 0.00 C ATOM 1185 O GLY A 79 -71.241 84.438 19.539 1.00 0.00 O ATOM 0 H GLY A 79 -72.436 81.231 17.398 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -72.542 83.537 17.332 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -73.663 83.562 18.680 1.00 0.00 H new ATOM 1189 N ASN A 80 -71.037 82.200 19.722 1.00 0.00 N ATOM 1190 CA ASN A 80 -69.921 82.240 20.668 1.00 0.00 C ATOM 1191 C ASN A 80 -68.703 82.752 19.947 1.00 0.00 C ATOM 1192 O ASN A 80 -68.592 82.585 18.726 1.00 0.00 O ATOM 1193 CB ASN A 80 -69.601 80.844 21.216 1.00 0.00 C ATOM 1194 CG ASN A 80 -68.957 80.883 22.602 1.00 0.00 C ATOM 1195 OD1 ASN A 80 -68.252 81.828 22.963 1.00 0.00 O ATOM 1196 ND2 ASN A 80 -69.209 79.870 23.386 1.00 0.00 N ATOM 0 H ASN A 80 -71.328 81.258 19.462 1.00 0.00 H new ATOM 0 HA ASN A 80 -70.198 82.887 21.500 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -70.519 80.259 21.264 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -68.932 80.332 20.524 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -68.819 79.845 24.328 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -69.796 79.104 23.057 1.00 0.00 H new ATOM 1203 N ARG A 81 -67.798 83.337 20.665 1.00 0.00 N ATOM 1204 CA ARG A 81 -66.631 83.896 20.061 1.00 0.00 C ATOM 1205 C ARG A 81 -65.624 82.801 19.878 1.00 0.00 C ATOM 1206 O ARG A 81 -65.355 82.067 20.802 1.00 0.00 O ATOM 1207 CB ARG A 81 -66.032 84.997 20.941 1.00 0.00 C ATOM 1208 CG ARG A 81 -65.178 85.984 20.166 1.00 0.00 C ATOM 1209 CD ARG A 81 -65.966 86.623 19.030 1.00 0.00 C ATOM 1210 NE ARG A 81 -65.214 87.647 18.337 1.00 0.00 N ATOM 1211 CZ ARG A 81 -65.467 88.077 17.101 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -66.509 87.617 16.408 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 81 -64.697 88.979 16.567 1.00 0.00 N ATOM 0 H ARG A 81 -67.846 83.440 21.679 1.00 0.00 H new ATOM 0 HA ARG A 81 -66.900 84.338 19.102 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -66.839 85.536 21.437 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -65.427 84.539 21.723 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -64.813 86.759 20.839 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -64.303 85.474 19.763 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -66.262 85.851 18.319 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -66.883 87.058 19.428 1.00 0.00 H new ATOM 0 HE ARG A 81 -64.430 88.072 18.832 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -67.131 86.923 16.822 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -66.685 87.960 15.463 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -63.907 89.352 17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -64.883 89.314 15.622 1.00 0.00 H new ATOM 1227 N VAL A 82 -65.112 82.655 18.710 1.00 0.00 N ATOM 1228 CA VAL A 82 -64.096 81.672 18.477 1.00 0.00 C ATOM 1229 C VAL A 82 -62.912 82.344 17.851 1.00 0.00 C ATOM 1230 O VAL A 82 -63.055 83.195 16.967 1.00 0.00 O ATOM 1231 CB VAL A 82 -64.578 80.484 17.594 1.00 0.00 C ATOM 1232 CG1 VAL A 82 -63.490 79.425 17.441 1.00 0.00 C ATOM 1233 CG2 VAL A 82 -65.839 79.866 18.163 1.00 0.00 C ATOM 0 H VAL A 82 -65.376 83.203 17.891 1.00 0.00 H new ATOM 0 HA VAL A 82 -63.828 81.237 19.440 1.00 0.00 H new ATOM 0 HB VAL A 82 -64.802 80.882 16.604 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -63.860 78.610 16.819 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -62.613 79.870 16.972 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -63.219 79.037 18.423 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -66.157 79.038 17.529 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -65.641 79.497 19.169 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -66.628 80.618 18.200 1.00 0.00 H new ATOM 1243 N TYR A 83 -61.778 82.004 18.341 1.00 0.00 N ATOM 1244 CA TYR A 83 -60.544 82.539 17.874 1.00 0.00 C ATOM 1245 C TYR A 83 -59.688 81.453 17.317 1.00 0.00 C ATOM 1246 O TYR A 83 -59.816 80.298 17.693 1.00 0.00 O ATOM 1247 CB TYR A 83 -59.796 83.286 18.979 1.00 0.00 C ATOM 1248 CG TYR A 83 -60.396 84.616 19.322 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -59.986 85.758 18.660 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -61.367 84.736 20.295 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -60.527 86.984 18.954 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -61.910 85.960 20.597 1.00 0.00 C ATOM 1253 CZ TYR A 83 -61.488 87.082 19.921 1.00 0.00 C ATOM 1254 OH TYR A 83 -62.045 88.307 20.215 1.00 0.00 O ATOM 0 H TYR A 83 -61.674 81.328 19.098 1.00 0.00 H new ATOM 0 HA TYR A 83 -60.773 83.256 17.086 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -59.775 82.665 19.875 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -58.761 83.433 18.669 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -59.225 85.684 17.897 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -61.704 83.857 20.825 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -60.196 87.865 18.425 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -62.667 86.042 21.363 1.00 0.00 H new ATOM 0 HH TYR A 83 -62.041 88.869 19.412 1.00 0.00 H new ATOM 1264 N CYS A 84 -58.869 81.812 16.408 1.00 0.00 N ATOM 1265 CA CYS A 84 -57.933 80.916 15.815 1.00 0.00 C ATOM 1266 C CYS A 84 -56.655 81.683 15.593 1.00 0.00 C ATOM 1267 O CYS A 84 -56.700 82.793 15.067 1.00 0.00 O ATOM 1268 CB CYS A 84 -58.487 80.382 14.485 1.00 0.00 C ATOM 1269 SG CYS A 84 -57.388 79.253 13.593 1.00 0.00 S ATOM 0 H CYS A 84 -58.822 82.762 16.039 1.00 0.00 H new ATOM 0 HA CYS A 84 -57.749 80.059 16.462 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -59.428 79.868 14.681 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -58.715 81.229 13.838 1.00 0.00 H new ATOM 0 HG CYS A 84 -56.172 79.712 13.630 1.00 0.00 H new ATOM 1275 N PRO A 85 -55.515 81.164 16.043 1.00 0.00 N ATOM 1276 CA PRO A 85 -54.255 81.818 15.824 1.00 0.00 C ATOM 1277 C PRO A 85 -53.843 81.646 14.372 1.00 0.00 C ATOM 1278 O PRO A 85 -53.993 80.573 13.798 1.00 0.00 O ATOM 1279 CB PRO A 85 -53.295 81.118 16.788 1.00 0.00 C ATOM 1280 CG PRO A 85 -53.882 79.766 17.010 1.00 0.00 C ATOM 1281 CD PRO A 85 -55.368 79.890 16.778 1.00 0.00 C ATOM 0 HA PRO A 85 -54.277 82.893 16.005 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -52.293 81.048 16.364 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -53.207 81.668 17.725 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -53.444 79.038 16.327 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -53.677 79.417 18.022 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -55.752 79.050 16.200 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -55.918 79.907 17.719 1.00 0.00 H new ATOM 1289 N VAL A 86 -53.396 82.703 13.768 1.00 0.00 N ATOM 1290 CA VAL A 86 -53.058 82.668 12.359 1.00 0.00 C ATOM 1291 C VAL A 86 -51.590 82.925 12.103 1.00 0.00 C ATOM 1292 O VAL A 86 -51.102 82.699 10.997 1.00 0.00 O ATOM 1293 CB VAL A 86 -53.917 83.659 11.549 1.00 0.00 C ATOM 1294 CG1 VAL A 86 -55.361 83.209 11.557 1.00 0.00 C ATOM 1295 CG2 VAL A 86 -53.805 85.072 12.120 1.00 0.00 C ATOM 0 H VAL A 86 -53.253 83.606 14.219 1.00 0.00 H new ATOM 0 HA VAL A 86 -53.276 81.654 12.023 1.00 0.00 H new ATOM 0 HB VAL A 86 -53.549 83.677 10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -55.964 83.912 10.983 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -55.436 82.218 11.110 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -55.725 83.172 12.584 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -54.420 85.752 11.531 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -54.149 85.075 13.154 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -52.766 85.398 12.083 1.00 0.00 H new ATOM 1305 N ARG A 87 -50.899 83.400 13.122 1.00 0.00 N ATOM 1306 CA ARG A 87 -49.485 83.710 13.057 1.00 0.00 C ATOM 1307 C ARG A 87 -49.040 84.141 14.440 1.00 0.00 C ATOM 1308 O ARG A 87 -49.885 84.331 15.331 1.00 0.00 O ATOM 1309 CB ARG A 87 -49.202 84.803 11.979 1.00 0.00 C ATOM 1310 CG ARG A 87 -49.895 86.131 12.205 1.00 0.00 C ATOM 1311 CD ARG A 87 -50.002 86.967 10.923 1.00 0.00 C ATOM 1312 NE ARG A 87 -48.707 87.253 10.279 1.00 0.00 N ATOM 1313 CZ ARG A 87 -48.512 88.189 9.323 1.00 0.00 C ATOM 1314 NH1 ARG A 87 -49.520 88.962 8.914 1.00 0.00 N1+ ATOM 1315 NH2 ARG A 87 -47.302 88.342 8.792 1.00 0.00 N ATOM 0 H ARG A 87 -51.314 83.584 14.035 1.00 0.00 H new ATOM 0 HA ARG A 87 -48.915 82.832 12.753 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -48.127 84.976 11.935 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -49.503 84.416 11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -50.894 85.952 12.602 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -49.349 86.698 12.959 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -50.641 86.442 10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -50.495 87.911 11.158 1.00 0.00 H new ATOM 0 HE ARG A 87 -47.900 86.705 10.576 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -50.448 88.849 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -49.363 89.665 8.192 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -46.529 87.755 9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -47.147 89.046 8.070 1.00 0.00 H new ATOM 1329 N THR A 88 -47.770 84.250 14.645 1.00 0.00 N ATOM 1330 CA THR A 88 -47.243 84.661 15.917 1.00 0.00 C ATOM 1331 C THR A 88 -46.940 86.159 15.885 1.00 0.00 C ATOM 1332 O THR A 88 -46.939 86.766 14.802 1.00 0.00 O ATOM 1333 CB THR A 88 -45.963 83.853 16.255 1.00 0.00 C ATOM 1334 OG1 THR A 88 -45.035 83.932 15.157 1.00 0.00 O ATOM 1335 CG2 THR A 88 -46.302 82.391 16.517 1.00 0.00 C ATOM 0 H THR A 88 -47.061 84.058 13.938 1.00 0.00 H new ATOM 0 HA THR A 88 -47.983 84.466 16.693 1.00 0.00 H new ATOM 0 HB THR A 88 -45.515 84.279 17.153 1.00 0.00 H new ATOM 0 HG1 THR A 88 -44.227 83.422 15.374 1.00 0.00 H new ATOM 0 HG21 THR A 88 -45.390 81.842 16.752 1.00 0.00 H new ATOM 0 HG22 THR A 88 -46.993 82.323 17.357 1.00 0.00 H new ATOM 0 HG23 THR A 88 -46.766 81.960 15.630 1.00 0.00 H new ATOM 1343 N CYS A 89 -46.734 86.751 17.032 1.00 0.00 N ATOM 1344 CA CYS A 89 -46.383 88.140 17.119 1.00 0.00 C ATOM 1345 C CYS A 89 -45.445 88.345 18.275 1.00 0.00 C ATOM 1346 O CYS A 89 -45.765 87.993 19.416 1.00 0.00 O ATOM 1347 CB CYS A 89 -47.628 89.018 17.297 1.00 0.00 C ATOM 1348 SG CYS A 89 -47.297 90.797 17.411 1.00 0.00 S ATOM 0 H CYS A 89 -46.806 86.280 17.934 1.00 0.00 H new ATOM 0 HA CYS A 89 -45.896 88.432 16.189 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -48.302 88.842 16.459 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -48.152 88.702 18.199 1.00 0.00 H new ATOM 0 HG CYS A 89 -47.052 91.114 18.648 1.00 0.00 H new ATOM 1354 N GLN A 90 -44.288 88.859 17.989 1.00 0.00 N ATOM 1355 CA GLN A 90 -43.358 89.199 19.013 1.00 0.00 C ATOM 1356 C GLN A 90 -43.713 90.602 19.452 1.00 0.00 C ATOM 1357 O GLN A 90 -43.661 91.543 18.655 1.00 0.00 O ATOM 1358 CB GLN A 90 -41.910 89.123 18.486 1.00 0.00 C ATOM 1359 CG GLN A 90 -40.823 89.046 19.561 1.00 0.00 C ATOM 1360 CD GLN A 90 -40.568 90.358 20.286 1.00 0.00 C ATOM 1361 OE1 GLN A 90 -41.176 90.659 21.306 1.00 0.00 O ATOM 1362 NE2 GLN A 90 -39.652 91.135 19.774 1.00 0.00 N ATOM 0 H GLN A 90 -43.966 89.053 17.041 1.00 0.00 H new ATOM 0 HA GLN A 90 -43.413 88.503 19.850 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -41.822 88.249 17.841 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -41.721 89.998 17.865 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -41.104 88.289 20.293 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -39.894 88.713 19.099 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -39.164 90.856 18.923 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -39.425 92.021 20.225 1.00 0.00 H new ATOM 1371 N GLY A 91 -44.132 90.725 20.674 1.00 0.00 N ATOM 1372 CA GLY A 91 -44.508 92.001 21.192 1.00 0.00 C ATOM 1373 C GLY A 91 -45.924 92.372 20.823 1.00 0.00 C ATOM 1374 O GLY A 91 -46.713 91.522 20.363 1.00 0.00 O ATOM 0 H GLY A 91 -44.222 89.952 21.333 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -44.407 91.995 22.277 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -43.825 92.761 20.813 1.00 0.00 H new ATOM 1378 N VAL A 92 -46.249 93.608 21.037 1.00 0.00 N ATOM 1379 CA VAL A 92 -47.548 94.163 20.734 1.00 0.00 C ATOM 1380 C VAL A 92 -47.361 95.461 19.984 1.00 0.00 C ATOM 1381 O VAL A 92 -46.307 96.086 20.114 1.00 0.00 O ATOM 1382 CB VAL A 92 -48.399 94.410 22.014 1.00 0.00 C ATOM 1383 CG1 VAL A 92 -48.894 93.098 22.584 1.00 0.00 C ATOM 1384 CG2 VAL A 92 -47.601 95.184 23.061 1.00 0.00 C ATOM 0 H VAL A 92 -45.603 94.287 21.440 1.00 0.00 H new ATOM 0 HA VAL A 92 -48.091 93.441 20.124 1.00 0.00 H new ATOM 0 HB VAL A 92 -49.263 95.013 21.735 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -49.487 93.290 23.478 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -49.510 92.589 21.843 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -48.042 92.469 22.842 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -48.219 95.343 23.945 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -46.713 94.614 23.336 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -47.300 96.148 22.650 1.00 0.00 H new ATOM 1394 N PRO A 93 -48.354 95.885 19.181 1.00 0.00 N ATOM 1395 CA PRO A 93 -48.250 97.108 18.396 1.00 0.00 C ATOM 1396 C PRO A 93 -48.023 98.377 19.266 1.00 0.00 C ATOM 1397 O PRO A 93 -48.276 98.361 20.480 1.00 0.00 O ATOM 1398 CB PRO A 93 -49.554 97.171 17.604 1.00 0.00 C ATOM 1399 CG PRO A 93 -50.487 96.244 18.294 1.00 0.00 C ATOM 1400 CD PRO A 93 -49.647 95.210 18.982 1.00 0.00 C ATOM 0 HA PRO A 93 -47.375 97.088 17.746 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -49.952 98.185 17.585 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -49.398 96.870 16.568 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -51.103 96.782 19.014 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -51.165 95.777 17.580 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -50.088 94.902 19.930 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -49.540 94.312 18.374 1.00 0.00 H new ATOM 1408 N PRO A 94 -47.565 99.511 18.663 1.00 0.00 N ATOM 1409 CA PRO A 94 -47.421 99.664 17.201 1.00 0.00 C ATOM 1410 C PRO A 94 -46.319 98.790 16.622 1.00 0.00 C ATOM 1411 O PRO A 94 -46.396 98.345 15.472 1.00 0.00 O ATOM 1412 CB PRO A 94 -47.100 101.149 17.019 1.00 0.00 C ATOM 1413 CG PRO A 94 -46.476 101.569 18.306 1.00 0.00 C ATOM 1414 CD PRO A 94 -47.087 100.711 19.385 1.00 0.00 C ATOM 0 HA PRO A 94 -48.321 99.349 16.673 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -46.421 101.306 16.181 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -48.002 101.725 16.811 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -45.395 101.437 18.273 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -46.662 102.625 18.500 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -46.355 100.451 20.150 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -47.905 101.226 19.888 1.00 0.00 H new ATOM 1422 N ASN A 95 -45.349 98.468 17.431 1.00 0.00 N ATOM 1423 CA ASN A 95 -44.278 97.644 16.965 1.00 0.00 C ATOM 1424 C ASN A 95 -44.601 96.208 17.244 1.00 0.00 C ATOM 1425 O ASN A 95 -44.159 95.624 18.229 1.00 0.00 O ATOM 1426 CB ASN A 95 -42.947 98.041 17.606 1.00 0.00 C ATOM 1427 CG ASN A 95 -42.514 99.443 17.245 1.00 0.00 C ATOM 1428 OD1 ASN A 95 -42.774 99.925 16.144 1.00 0.00 O ATOM 1429 ND2 ASN A 95 -41.887 100.119 18.162 1.00 0.00 N ATOM 0 H ASN A 95 -45.280 98.761 18.405 1.00 0.00 H new ATOM 0 HA ASN A 95 -44.169 97.786 15.890 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -43.033 97.961 18.690 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -42.176 97.337 17.295 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -41.595 101.079 17.978 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -41.687 99.689 19.065 1.00 0.00 H new ATOM 1436 N GLN A 96 -45.433 95.669 16.405 1.00 0.00 N ATOM 1437 CA GLN A 96 -45.777 94.286 16.463 1.00 0.00 C ATOM 1438 C GLN A 96 -44.866 93.585 15.491 1.00 0.00 C ATOM 1439 O GLN A 96 -44.462 94.170 14.477 1.00 0.00 O ATOM 1440 CB GLN A 96 -47.259 94.092 16.075 1.00 0.00 C ATOM 1441 CG GLN A 96 -47.545 94.294 14.602 1.00 0.00 C ATOM 1442 CD GLN A 96 -48.977 94.651 14.311 1.00 0.00 C ATOM 1443 OE1 GLN A 96 -49.343 95.817 14.304 1.00 0.00 O ATOM 1444 NE2 GLN A 96 -49.781 93.666 14.024 1.00 0.00 N ATOM 0 H GLN A 96 -45.895 96.184 15.655 1.00 0.00 H new ATOM 0 HA GLN A 96 -45.656 93.881 17.468 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -47.569 93.087 16.360 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -47.868 94.788 16.651 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -46.897 95.083 14.219 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -47.290 93.382 14.062 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -49.437 92.706 14.041 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -50.754 93.855 13.783 1.00 0.00 H new ATOM 1453 N ILE A 97 -44.515 92.406 15.787 1.00 0.00 N ATOM 1454 CA ILE A 97 -43.642 91.649 14.934 1.00 0.00 C ATOM 1455 C ILE A 97 -44.343 90.358 14.565 1.00 0.00 C ATOM 1456 O ILE A 97 -44.264 89.375 15.285 1.00 0.00 O ATOM 1457 CB ILE A 97 -42.278 91.375 15.623 1.00 0.00 C ATOM 1458 CG1 ILE A 97 -41.596 92.702 15.963 1.00 0.00 C ATOM 1459 CG2 ILE A 97 -41.367 90.517 14.741 1.00 0.00 C ATOM 1460 CD1 ILE A 97 -40.332 92.588 16.782 1.00 0.00 C ATOM 0 H ILE A 97 -44.815 91.915 16.629 1.00 0.00 H new ATOM 0 HA ILE A 97 -43.424 92.219 14.031 1.00 0.00 H new ATOM 0 HB ILE A 97 -42.465 90.819 16.541 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -41.361 93.219 15.033 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -42.305 93.327 16.505 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -40.421 90.345 15.254 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -41.850 89.561 14.540 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -41.180 91.034 13.800 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -39.928 93.583 16.968 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -40.557 92.104 17.732 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -39.598 91.994 16.237 1.00 0.00 H new ATOM 1472 N PRO A 98 -45.124 90.386 13.492 1.00 0.00 N ATOM 1473 CA PRO A 98 -45.883 89.237 13.061 1.00 0.00 C ATOM 1474 C PRO A 98 -45.031 88.214 12.316 1.00 0.00 C ATOM 1475 O PRO A 98 -44.236 88.558 11.421 1.00 0.00 O ATOM 1476 CB PRO A 98 -46.950 89.836 12.146 1.00 0.00 C ATOM 1477 CG PRO A 98 -46.355 91.097 11.617 1.00 0.00 C ATOM 1478 CD PRO A 98 -45.332 91.557 12.617 1.00 0.00 C ATOM 0 HA PRO A 98 -46.296 88.683 13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -47.203 89.151 11.337 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -47.871 90.036 12.694 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -45.893 90.927 10.644 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -47.124 91.856 11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -44.405 91.858 12.128 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -45.688 92.418 13.183 1.00 0.00 H new ATOM 1486 N GLY A 99 -45.179 86.975 12.699 1.00 0.00 N ATOM 1487 CA GLY A 99 -44.478 85.897 12.057 1.00 0.00 C ATOM 1488 C GLY A 99 -45.196 85.441 10.812 1.00 0.00 C ATOM 1489 O GLY A 99 -46.177 86.081 10.388 1.00 0.00 O ATOM 0 H GLY A 99 -45.788 86.685 13.464 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -43.469 86.219 11.800 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -44.380 85.061 12.749 1.00 0.00 H new ATOM 1493 N VAL A 100 -44.741 84.349 10.238 1.00 0.00 N ATOM 1494 CA VAL A 100 -45.321 83.817 9.015 1.00 0.00 C ATOM 1495 C VAL A 100 -46.773 83.379 9.257 1.00 0.00 C ATOM 1496 O VAL A 100 -47.097 82.809 10.312 1.00 0.00 O ATOM 1497 CB VAL A 100 -44.469 82.630 8.435 1.00 0.00 C ATOM 1498 CG1 VAL A 100 -44.417 81.439 9.392 1.00 0.00 C ATOM 1499 CG2 VAL A 100 -44.972 82.200 7.057 1.00 0.00 C ATOM 0 H VAL A 100 -43.960 83.803 10.602 1.00 0.00 H new ATOM 0 HA VAL A 100 -45.316 84.614 8.271 1.00 0.00 H new ATOM 0 HB VAL A 100 -43.451 83.001 8.321 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -43.818 80.643 8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -43.968 81.750 10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -45.428 81.074 9.574 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -44.360 81.378 6.687 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -46.009 81.874 7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -44.906 83.041 6.367 1.00 0.00 H new ATOM 1509 N ALA A 101 -47.641 83.710 8.329 1.00 0.00 N ATOM 1510 CA ALA A 101 -49.027 83.339 8.424 1.00 0.00 C ATOM 1511 C ALA A 101 -49.201 81.874 8.153 1.00 0.00 C ATOM 1512 O ALA A 101 -48.492 81.288 7.319 1.00 0.00 O ATOM 1513 CB ALA A 101 -49.878 84.152 7.476 1.00 0.00 C ATOM 0 H ALA A 101 -47.404 84.242 7.492 1.00 0.00 H new ATOM 0 HA ALA A 101 -49.358 83.549 9.441 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -50.920 83.848 7.571 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -49.785 85.210 7.720 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -49.543 83.985 6.452 1.00 0.00 H new ATOM 1519 N TRP A 102 -50.133 81.285 8.837 1.00 0.00 N ATOM 1520 CA TRP A 102 -50.420 79.880 8.689 1.00 0.00 C ATOM 1521 C TRP A 102 -51.540 79.668 7.687 1.00 0.00 C ATOM 1522 O TRP A 102 -52.061 78.565 7.534 1.00 0.00 O ATOM 1523 CB TRP A 102 -50.769 79.270 10.047 1.00 0.00 C ATOM 1524 CG TRP A 102 -49.680 79.436 11.066 1.00 0.00 C ATOM 1525 CD1 TRP A 102 -48.341 79.507 10.834 1.00 0.00 C ATOM 1526 CD2 TRP A 102 -49.845 79.522 12.471 1.00 0.00 C ATOM 1527 NE1 TRP A 102 -47.666 79.666 12.019 1.00 0.00 N ATOM 1528 CE2 TRP A 102 -48.573 79.672 13.039 1.00 0.00 C ATOM 1529 CE3 TRP A 102 -50.946 79.495 13.301 1.00 0.00 C ATOM 1530 CZ2 TRP A 102 -48.386 79.798 14.406 1.00 0.00 C ATOM 1531 CZ3 TRP A 102 -50.763 79.613 14.646 1.00 0.00 C ATOM 1532 CH2 TRP A 102 -49.494 79.764 15.194 1.00 0.00 C ATOM 0 H TRP A 102 -50.723 81.763 9.519 1.00 0.00 H new ATOM 0 HA TRP A 102 -49.533 79.376 8.307 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -51.682 79.732 10.422 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -50.979 78.208 9.918 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -47.877 79.447 9.860 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -46.656 79.763 12.120 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -51.939 79.382 12.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -47.400 79.918 14.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -51.622 79.589 15.300 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -49.386 79.856 16.265 1.00 0.00 H new ATOM 1543 N GLY A 103 -51.876 80.717 6.984 1.00 0.00 N ATOM 1544 CA GLY A 103 -52.896 80.640 6.001 1.00 0.00 C ATOM 1545 C GLY A 103 -53.002 81.899 5.208 1.00 0.00 C ATOM 1546 O GLY A 103 -52.206 82.834 5.386 1.00 0.00 O ATOM 0 H GLY A 103 -51.448 81.637 7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -52.692 79.805 5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -53.851 80.434 6.484 1.00 0.00 H new ATOM 1550 N VAL A 104 -53.987 81.938 4.373 1.00 0.00 N ATOM 1551 CA VAL A 104 -54.220 83.045 3.482 1.00 0.00 C ATOM 1552 C VAL A 104 -55.241 83.965 4.103 1.00 0.00 C ATOM 1553 O VAL A 104 -56.107 83.514 4.850 1.00 0.00 O ATOM 1554 CB VAL A 104 -54.829 82.565 2.158 1.00 0.00 C ATOM 1555 CG1 VAL A 104 -54.671 83.600 1.069 1.00 0.00 C ATOM 1556 CG2 VAL A 104 -54.309 81.210 1.732 1.00 0.00 C ATOM 0 H VAL A 104 -54.672 81.188 4.283 1.00 0.00 H new ATOM 0 HA VAL A 104 -53.264 83.539 3.306 1.00 0.00 H new ATOM 0 HB VAL A 104 -55.897 82.436 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -55.113 83.227 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -55.174 84.520 1.366 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -53.612 83.801 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -54.774 80.922 0.789 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -53.228 81.259 1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -54.550 80.471 2.496 1.00 0.00 H new ATOM 1566 N PHE A 105 -55.156 85.221 3.780 1.00 0.00 N ATOM 1567 CA PHE A 105 -56.084 86.199 4.232 1.00 0.00 C ATOM 1568 C PHE A 105 -56.704 86.874 3.020 1.00 0.00 C ATOM 1569 O PHE A 105 -56.054 87.685 2.352 1.00 0.00 O ATOM 1570 CB PHE A 105 -55.367 87.244 5.058 1.00 0.00 C ATOM 1571 CG PHE A 105 -54.748 86.752 6.333 1.00 0.00 C ATOM 1572 CD1 PHE A 105 -55.539 86.377 7.402 1.00 0.00 C ATOM 1573 CD2 PHE A 105 -53.369 86.689 6.470 1.00 0.00 C ATOM 1574 CE1 PHE A 105 -54.973 85.948 8.580 1.00 0.00 C ATOM 1575 CE2 PHE A 105 -52.799 86.257 7.647 1.00 0.00 C ATOM 1576 CZ PHE A 105 -53.601 85.888 8.701 1.00 0.00 C ATOM 0 H PHE A 105 -54.421 85.597 3.181 1.00 0.00 H new ATOM 0 HA PHE A 105 -56.852 85.721 4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -54.585 87.692 4.445 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -56.074 88.037 5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -56.614 86.421 7.312 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -52.736 86.982 5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -55.602 85.659 9.409 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -51.724 86.208 7.742 1.00 0.00 H new ATOM 0 HZ PHE A 105 -53.155 85.551 9.625 1.00 0.00 H new ATOM 1586 N LYS A 106 -57.908 86.502 2.708 1.00 0.00 N ATOM 1587 CA LYS A 106 -58.630 87.094 1.611 1.00 0.00 C ATOM 1588 C LYS A 106 -59.491 88.216 2.147 1.00 0.00 C ATOM 1589 O LYS A 106 -60.604 87.931 2.613 1.00 0.00 O ATOM 1590 CB LYS A 106 -59.533 86.072 0.930 1.00 0.00 C ATOM 1591 CG LYS A 106 -58.846 84.820 0.447 1.00 0.00 C ATOM 1592 CD LYS A 106 -59.827 83.900 -0.260 1.00 0.00 C ATOM 1593 CE LYS A 106 -59.117 82.743 -0.936 1.00 0.00 C ATOM 1594 NZ LYS A 106 -58.333 83.178 -2.118 1.00 0.00 N1+ ATOM 1595 OXT LYS A 106 -59.063 89.393 2.119 1.00 0.00 O ATOM 0 H LYS A 106 -58.424 85.777 3.206 1.00 0.00 H new ATOM 0 HA LYS A 106 -57.910 87.464 0.881 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -60.321 85.787 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -60.018 86.551 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -58.035 85.084 -0.232 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -58.397 84.298 1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -60.549 83.514 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -60.389 84.467 -1.002 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -58.453 82.259 -0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -59.851 81.998 -1.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -58.049 82.345 -2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -58.915 83.805 -2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -57.484 83.690 -1.803 1.00 0.00 H new TER 1609 LYS A 106