USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 722 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 72 ASN : amide:sc= -0.898 X(o=-2.8,f=-3.2) USER MOD Set 1.2: A 75 GLN : amide:sc= -1.94! C(o=-2.8!,f=-3.2!) USER MOD Set 2.1: A 61 THR OG1 : rot 90:sc= 0.903 USER MOD Set 2.2: A 90 GLN : amide:sc= -2.88! K(o=-2!,f=0.079) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 1.18 (180deg=-0.285) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -139:sc= 1.28 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -158:sc= -0.177 (180deg=-0.705) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -78:sc= 0.965 USER MOD Single : A 34 THR OG1 : rot 92:sc= 0.416 USER MOD Single : A 36 GLN : amide:sc= -0.398 X(o=-0.4,f=-0.15) USER MOD Single : A 44 TYR OH : rot -132:sc= -1.5 USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0.101 (180deg=0.0749) USER MOD Single : A 53 GLN : amide:sc= 0.0673 X(o=0.067,f=-0.17) USER MOD Single : A 55 LYS NZ :NH3+ 162:sc= 0.844 (180deg=0.614) USER MOD Single : A 57 GLN : amide:sc= -1.22 K(o=-1.2,f=-0.39) USER MOD Single : A 59 SER OG : rot -150:sc= 0 USER MOD Single : A 60 CYS SG : rot -18:sc= -4.05! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= -0.107 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 74:sc= 0.704 USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0951) USER MOD Single : A 76 ASN : amide:sc=-0.000194 X(o=-0.00019,f=-0.48) USER MOD Single : A 77 MET CE :methyl 161:sc= -0.0507 (180deg=-0.551) USER MOD Single : A 79 GLN : amide:sc= 0.142 K(o=0.14,f=-0.65) USER MOD Single : A 81 TYR OH : rot 100:sc= 0.74 USER MOD Single : A 92 MET CE :methyl 172:sc= -1.06 (180deg=-1.27) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.907 10.358 21.150 1.00 70.01 N ATOM 2 CA MET A 1 9.348 8.985 21.140 1.00 40.14 C ATOM 3 C MET A 1 10.452 7.975 21.517 1.00 70.14 C ATOM 4 O MET A 1 11.647 8.300 21.445 1.00 54.34 O ATOM 5 CB MET A 1 8.759 8.620 19.748 1.00 25.04 C ATOM 6 CG MET A 1 7.780 9.638 19.144 1.00 2.50 C ATOM 7 SD MET A 1 8.575 11.200 18.673 1.00 52.54 S ATOM 8 CE MET A 1 7.261 12.027 17.768 1.00 2.23 C ATOM 0 H1 MET A 1 9.381 10.942 21.831 1.00 70.01 H new ATOM 0 H2 MET A 1 10.909 10.323 21.425 1.00 70.01 H new ATOM 0 H3 MET A 1 9.823 10.774 20.200 1.00 70.01 H new ATOM 0 HA MET A 1 8.539 8.943 21.870 1.00 40.14 H new ATOM 0 HB2 MET A 1 9.585 8.482 19.051 1.00 25.04 H new ATOM 0 HB3 MET A 1 8.249 7.660 19.832 1.00 25.04 H new ATOM 0 HG2 MET A 1 7.306 9.200 18.266 1.00 2.50 H new ATOM 0 HG3 MET A 1 6.988 9.843 19.865 1.00 2.50 H new ATOM 0 HE1 MET A 1 7.613 12.998 17.421 1.00 2.23 H new ATOM 0 HE2 MET A 1 6.971 11.419 16.911 1.00 2.23 H new ATOM 0 HE3 MET A 1 6.400 12.166 18.422 1.00 2.23 H new ATOM 20 N GLY A 2 10.040 6.758 21.918 1.00 33.15 N ATOM 21 CA GLY A 2 10.980 5.663 22.185 1.00 72.03 C ATOM 22 C GLY A 2 10.557 4.780 23.356 1.00 12.23 C ATOM 23 O GLY A 2 10.625 3.547 23.270 1.00 22.04 O ATOM 0 H GLY A 2 9.061 6.512 22.063 1.00 33.15 H new ATOM 0 HA2 GLY A 2 11.075 5.048 21.290 1.00 72.03 H new ATOM 0 HA3 GLY A 2 11.966 6.081 22.391 1.00 72.03 H new ATOM 27 N HIS A 3 10.116 5.425 24.454 1.00 52.04 N ATOM 28 CA HIS A 3 9.867 4.745 25.748 1.00 1.12 C ATOM 29 C HIS A 3 8.529 3.968 25.723 1.00 3.12 C ATOM 30 O HIS A 3 8.404 2.921 26.357 1.00 33.42 O ATOM 31 CB HIS A 3 9.902 5.783 26.917 1.00 14.44 C ATOM 32 CG HIS A 3 10.406 5.234 28.238 1.00 45.02 C ATOM 33 ND1 HIS A 3 9.582 4.829 29.270 1.00 22.12 N ATOM 34 CD2 HIS A 3 11.674 5.048 28.689 1.00 53.10 C ATOM 35 CE1 HIS A 3 10.321 4.418 30.285 1.00 22.03 C ATOM 36 NE2 HIS A 3 11.590 4.542 29.960 1.00 72.04 N ATOM 0 H HIS A 3 9.922 6.426 24.473 1.00 52.04 H new ATOM 0 HA HIS A 3 10.660 4.016 25.914 1.00 1.12 H new ATOM 0 HB2 HIS A 3 10.534 6.620 26.622 1.00 14.44 H new ATOM 0 HB3 HIS A 3 8.897 6.179 27.063 1.00 14.44 H new ATOM 0 HD2 HIS A 3 12.583 5.260 28.145 1.00 53.10 H new ATOM 0 HE1 HIS A 3 9.946 4.043 31.226 1.00 22.03 H new ATOM 0 HE2 HIS A 3 12.382 4.301 30.556 1.00 72.04 H new ATOM 45 N HIS A 4 7.521 4.502 25.001 1.00 40.33 N ATOM 46 CA HIS A 4 6.230 3.809 24.774 1.00 1.22 C ATOM 47 C HIS A 4 5.852 3.896 23.287 1.00 31.43 C ATOM 48 O HIS A 4 5.783 2.870 22.599 1.00 65.14 O ATOM 49 CB HIS A 4 5.098 4.391 25.676 1.00 61.43 C ATOM 50 CG HIS A 4 5.054 3.836 27.083 1.00 75.53 C ATOM 51 ND1 HIS A 4 5.261 4.597 28.216 1.00 20.22 N ATOM 52 CD2 HIS A 4 4.780 2.585 27.524 1.00 3.45 C ATOM 53 CE1 HIS A 4 5.106 3.840 29.285 1.00 51.22 C ATOM 54 NE2 HIS A 4 4.815 2.616 28.891 1.00 11.42 N ATOM 0 H HIS A 4 7.576 5.420 24.560 1.00 40.33 H new ATOM 0 HA HIS A 4 6.348 2.761 25.050 1.00 1.22 H new ATOM 0 HB2 HIS A 4 5.218 5.473 25.732 1.00 61.43 H new ATOM 0 HB3 HIS A 4 4.138 4.201 25.196 1.00 61.43 H new ATOM 0 HD2 HIS A 4 4.572 1.722 26.909 1.00 3.45 H new ATOM 0 HE1 HIS A 4 5.201 4.167 30.310 1.00 51.22 H new ATOM 0 HE2 HIS A 4 4.644 1.821 29.506 1.00 11.42 H new ATOM 63 N HIS A 5 5.598 5.129 22.809 1.00 55.11 N ATOM 64 CA HIS A 5 5.337 5.399 21.384 1.00 34.40 C ATOM 65 C HIS A 5 6.607 5.094 20.576 1.00 32.44 C ATOM 66 O HIS A 5 7.673 5.647 20.860 1.00 24.00 O ATOM 67 CB HIS A 5 4.874 6.865 21.177 1.00 2.35 C ATOM 68 CG HIS A 5 3.531 7.159 21.800 1.00 42.51 C ATOM 69 ND1 HIS A 5 3.374 7.901 22.958 1.00 43.22 N ATOM 70 CD2 HIS A 5 2.282 6.800 21.419 1.00 33.24 C ATOM 71 CE1 HIS A 5 2.090 7.981 23.252 1.00 64.30 C ATOM 72 NE2 HIS A 5 1.411 7.322 22.335 1.00 44.33 N ATOM 0 H HIS A 5 5.568 5.962 23.397 1.00 55.11 H new ATOM 0 HA HIS A 5 4.531 4.755 21.033 1.00 34.40 H new ATOM 0 HB2 HIS A 5 5.619 7.538 21.602 1.00 2.35 H new ATOM 0 HB3 HIS A 5 4.826 7.076 20.109 1.00 2.35 H new ATOM 0 HD2 HIS A 5 2.022 6.211 20.552 1.00 33.24 H new ATOM 0 HE1 HIS A 5 1.667 8.499 24.100 1.00 64.30 H new ATOM 0 HE2 HIS A 5 0.397 7.218 22.312 1.00 44.33 H new ATOM 81 N HIS A 6 6.474 4.188 19.596 1.00 64.43 N ATOM 82 CA HIS A 6 7.616 3.609 18.871 1.00 42.13 C ATOM 83 C HIS A 6 8.215 4.599 17.859 1.00 5.01 C ATOM 84 O HIS A 6 7.507 5.401 17.247 1.00 5.53 O ATOM 85 CB HIS A 6 7.204 2.279 18.176 1.00 51.45 C ATOM 86 CG HIS A 6 7.051 1.118 19.130 1.00 23.51 C ATOM 87 ND1 HIS A 6 7.881 0.016 19.113 1.00 33.32 N ATOM 88 CD2 HIS A 6 6.148 0.881 20.109 1.00 40.41 C ATOM 89 CE1 HIS A 6 7.506 -0.832 20.050 1.00 31.33 C ATOM 90 NE2 HIS A 6 6.453 -0.336 20.665 1.00 64.24 N ATOM 0 H HIS A 6 5.570 3.835 19.283 1.00 64.43 H new ATOM 0 HA HIS A 6 8.394 3.391 19.602 1.00 42.13 H new ATOM 0 HB2 HIS A 6 6.262 2.431 17.649 1.00 51.45 H new ATOM 0 HB3 HIS A 6 7.952 2.025 17.425 1.00 51.45 H new ATOM 0 HD2 HIS A 6 5.336 1.531 20.400 1.00 40.41 H new ATOM 0 HE1 HIS A 6 7.982 -1.775 20.275 1.00 31.33 H new ATOM 0 HE2 HIS A 6 5.947 -0.783 21.429 1.00 64.24 H new ATOM 99 N HIS A 7 9.543 4.511 17.717 1.00 45.23 N ATOM 100 CA HIS A 7 10.345 5.357 16.823 1.00 74.14 C ATOM 101 C HIS A 7 11.376 4.455 16.128 1.00 74.12 C ATOM 102 O HIS A 7 12.538 4.373 16.539 1.00 32.42 O ATOM 103 CB HIS A 7 11.017 6.496 17.649 1.00 54.34 C ATOM 104 CG HIS A 7 11.752 7.551 16.848 1.00 63.31 C ATOM 105 ND1 HIS A 7 13.080 7.873 17.059 1.00 2.11 N ATOM 106 CD2 HIS A 7 11.313 8.412 15.896 1.00 72.01 C ATOM 107 CE1 HIS A 7 13.421 8.875 16.271 1.00 74.23 C ATOM 108 NE2 HIS A 7 12.371 9.222 15.559 1.00 24.13 N ATOM 0 H HIS A 7 10.104 3.833 18.233 1.00 45.23 H new ATOM 0 HA HIS A 7 9.728 5.837 16.063 1.00 74.14 H new ATOM 0 HB2 HIS A 7 10.248 6.989 18.243 1.00 54.34 H new ATOM 0 HB3 HIS A 7 11.720 6.044 18.349 1.00 54.34 H new ATOM 0 HD2 HIS A 7 10.317 8.453 15.480 1.00 72.01 H new ATOM 0 HE1 HIS A 7 14.398 9.333 16.219 1.00 74.23 H new ATOM 0 HE2 HIS A 7 12.346 9.972 14.868 1.00 24.13 H new ATOM 117 N HIS A 8 10.893 3.708 15.116 1.00 62.25 N ATOM 118 CA HIS A 8 11.718 2.762 14.331 1.00 73.23 C ATOM 119 C HIS A 8 12.616 3.526 13.348 1.00 52.45 C ATOM 120 O HIS A 8 13.754 3.123 13.082 1.00 60.14 O ATOM 121 CB HIS A 8 10.821 1.736 13.581 1.00 13.44 C ATOM 122 CG HIS A 8 11.593 0.783 12.687 1.00 72.23 C ATOM 123 ND1 HIS A 8 11.532 0.837 11.315 1.00 5.33 N ATOM 124 CD2 HIS A 8 12.486 -0.199 12.976 1.00 73.11 C ATOM 125 CE1 HIS A 8 12.336 -0.064 10.801 1.00 44.40 C ATOM 126 NE2 HIS A 8 12.933 -0.706 11.782 1.00 11.30 N ATOM 0 H HIS A 8 9.918 3.742 14.817 1.00 62.25 H new ATOM 0 HA HIS A 8 12.356 2.208 15.019 1.00 73.23 H new ATOM 0 HB2 HIS A 8 10.258 1.157 14.313 1.00 13.44 H new ATOM 0 HB3 HIS A 8 10.094 2.278 12.976 1.00 13.44 H new ATOM 0 HD2 HIS A 8 12.788 -0.521 13.962 1.00 73.11 H new ATOM 0 HE1 HIS A 8 12.483 -0.248 9.747 1.00 44.40 H new ATOM 0 HE2 HIS A 8 13.615 -1.456 11.673 1.00 11.30 H new ATOM 135 N SER A 9 12.082 4.623 12.808 1.00 51.42 N ATOM 136 CA SER A 9 12.833 5.528 11.933 1.00 13.33 C ATOM 137 C SER A 9 13.522 6.617 12.780 1.00 14.15 C ATOM 138 O SER A 9 13.316 6.702 13.995 1.00 63.40 O ATOM 139 CB SER A 9 11.872 6.159 10.900 1.00 32.21 C ATOM 140 OG SER A 9 12.579 6.926 9.936 1.00 52.42 O ATOM 0 H SER A 9 11.116 4.910 12.965 1.00 51.42 H new ATOM 0 HA SER A 9 13.603 4.971 11.398 1.00 13.33 H new ATOM 0 HB2 SER A 9 11.307 5.373 10.399 1.00 32.21 H new ATOM 0 HB3 SER A 9 11.149 6.793 11.413 1.00 32.21 H new ATOM 0 HG SER A 9 12.085 7.752 9.749 1.00 52.42 H new ATOM 146 N HIS A 10 14.353 7.422 12.115 1.00 63.22 N ATOM 147 CA HIS A 10 15.005 8.610 12.710 1.00 31.20 C ATOM 148 C HIS A 10 15.100 9.709 11.631 1.00 1.53 C ATOM 149 O HIS A 10 15.914 10.636 11.730 1.00 0.20 O ATOM 150 CB HIS A 10 16.401 8.242 13.297 1.00 71.22 C ATOM 151 CG HIS A 10 17.416 7.736 12.292 1.00 34.50 C ATOM 152 ND1 HIS A 10 17.561 6.404 11.976 1.00 51.44 N ATOM 153 CD2 HIS A 10 18.346 8.396 11.552 1.00 34.32 C ATOM 154 CE1 HIS A 10 18.529 6.268 11.091 1.00 14.53 C ATOM 155 NE2 HIS A 10 19.019 7.460 10.818 1.00 74.33 N ATOM 0 H HIS A 10 14.601 7.273 11.137 1.00 63.22 H new ATOM 0 HA HIS A 10 14.411 8.986 13.543 1.00 31.20 H new ATOM 0 HB2 HIS A 10 16.812 9.122 13.791 1.00 71.22 H new ATOM 0 HB3 HIS A 10 16.264 7.480 14.065 1.00 71.22 H new ATOM 0 HD2 HIS A 10 18.521 9.462 11.545 1.00 34.32 H new ATOM 0 HE1 HIS A 10 18.864 5.335 10.662 1.00 14.53 H new ATOM 0 HE2 HIS A 10 19.778 7.653 10.164 1.00 74.33 H new ATOM 164 N MET A 11 14.185 9.607 10.646 1.00 71.34 N ATOM 165 CA MET A 11 14.204 10.391 9.396 1.00 74.12 C ATOM 166 C MET A 11 14.114 11.912 9.642 1.00 23.12 C ATOM 167 O MET A 11 14.739 12.697 8.918 1.00 22.41 O ATOM 168 CB MET A 11 13.066 9.907 8.435 1.00 60.21 C ATOM 169 CG MET A 11 11.619 10.206 8.877 1.00 52.33 C ATOM 170 SD MET A 11 11.198 9.519 10.490 1.00 54.21 S ATOM 171 CE MET A 11 9.466 9.968 10.635 1.00 61.23 C ATOM 0 H MET A 11 13.396 8.963 10.699 1.00 71.34 H new ATOM 0 HA MET A 11 15.169 10.215 8.921 1.00 74.12 H new ATOM 0 HB2 MET A 11 13.226 10.365 7.459 1.00 60.21 H new ATOM 0 HB3 MET A 11 13.167 8.830 8.302 1.00 60.21 H new ATOM 0 HG2 MET A 11 11.472 11.286 8.902 1.00 52.33 H new ATOM 0 HG3 MET A 11 10.931 9.808 8.131 1.00 52.33 H new ATOM 0 HE1 MET A 11 9.075 9.606 11.586 1.00 61.23 H new ATOM 0 HE2 MET A 11 9.366 11.053 10.591 1.00 61.23 H new ATOM 0 HE3 MET A 11 8.904 9.518 9.817 1.00 61.23 H new ATOM 181 N GLY A 12 13.345 12.306 10.677 1.00 55.11 N ATOM 182 CA GLY A 12 13.156 13.723 11.020 1.00 30.11 C ATOM 183 C GLY A 12 12.395 14.511 9.954 1.00 72.43 C ATOM 184 O GLY A 12 12.487 15.740 9.902 1.00 25.11 O ATOM 0 H GLY A 12 12.846 11.659 11.288 1.00 55.11 H new ATOM 0 HA2 GLY A 12 12.617 13.791 11.965 1.00 30.11 H new ATOM 0 HA3 GLY A 12 14.131 14.185 11.175 1.00 30.11 H new ATOM 188 N SER A 13 11.642 13.793 9.105 1.00 34.42 N ATOM 189 CA SER A 13 10.912 14.368 7.969 1.00 52.31 C ATOM 190 C SER A 13 9.572 14.966 8.435 1.00 60.55 C ATOM 191 O SER A 13 8.497 14.379 8.232 1.00 71.21 O ATOM 192 CB SER A 13 10.698 13.278 6.891 1.00 23.13 C ATOM 193 OG SER A 13 11.939 12.729 6.459 1.00 75.50 O ATOM 0 H SER A 13 11.523 12.784 9.192 1.00 34.42 H new ATOM 0 HA SER A 13 11.497 15.178 7.534 1.00 52.31 H new ATOM 0 HB2 SER A 13 10.067 12.485 7.292 1.00 23.13 H new ATOM 0 HB3 SER A 13 10.170 13.705 6.038 1.00 23.13 H new ATOM 0 HG SER A 13 11.774 12.042 5.780 1.00 75.50 H new ATOM 199 N GLU A 14 9.664 16.123 9.110 1.00 53.21 N ATOM 200 CA GLU A 14 8.486 16.836 9.615 1.00 41.14 C ATOM 201 C GLU A 14 7.814 17.631 8.494 1.00 12.52 C ATOM 202 O GLU A 14 8.470 18.060 7.534 1.00 11.45 O ATOM 203 CB GLU A 14 8.845 17.761 10.802 1.00 20.42 C ATOM 204 CG GLU A 14 9.359 17.008 12.050 1.00 5.01 C ATOM 205 CD GLU A 14 9.477 17.900 13.298 1.00 12.24 C ATOM 206 OE1 GLU A 14 10.476 18.636 13.429 1.00 63.45 O ATOM 207 OE2 GLU A 14 8.555 17.884 14.142 1.00 63.31 O ATOM 0 H GLU A 14 10.549 16.585 9.318 1.00 53.21 H new ATOM 0 HA GLU A 14 7.781 16.089 9.981 1.00 41.14 H new ATOM 0 HB2 GLU A 14 9.606 18.471 10.479 1.00 20.42 H new ATOM 0 HB3 GLU A 14 7.964 18.341 11.077 1.00 20.42 H new ATOM 0 HG2 GLU A 14 8.686 16.179 12.268 1.00 5.01 H new ATOM 0 HG3 GLU A 14 10.335 16.576 11.828 1.00 5.01 H new ATOM 214 N GLU A 15 6.481 17.791 8.643 1.00 51.24 N ATOM 215 CA GLU A 15 5.588 18.457 7.671 1.00 34.11 C ATOM 216 C GLU A 15 5.433 17.630 6.369 1.00 53.01 C ATOM 217 O GLU A 15 4.883 18.113 5.376 1.00 12.03 O ATOM 218 CB GLU A 15 6.014 19.929 7.400 1.00 64.54 C ATOM 219 CG GLU A 15 6.079 20.801 8.678 1.00 72.35 C ATOM 220 CD GLU A 15 6.336 22.287 8.384 1.00 53.34 C ATOM 221 OE1 GLU A 15 7.502 22.672 8.178 1.00 55.24 O ATOM 222 OE2 GLU A 15 5.364 23.070 8.342 1.00 41.43 O ATOM 0 H GLU A 15 5.983 17.451 9.466 1.00 51.24 H new ATOM 0 HA GLU A 15 4.598 18.505 8.125 1.00 34.11 H new ATOM 0 HB2 GLU A 15 6.992 19.933 6.918 1.00 64.54 H new ATOM 0 HB3 GLU A 15 5.311 20.379 6.699 1.00 64.54 H new ATOM 0 HG2 GLU A 15 5.142 20.702 9.225 1.00 72.35 H new ATOM 0 HG3 GLU A 15 6.869 20.424 9.328 1.00 72.35 H new ATOM 229 N ASP A 16 5.919 16.373 6.407 1.00 21.45 N ATOM 230 CA ASP A 16 5.637 15.334 5.392 1.00 44.43 C ATOM 231 C ASP A 16 4.640 14.315 5.963 1.00 63.31 C ATOM 232 O ASP A 16 4.071 13.511 5.217 1.00 14.44 O ATOM 233 CB ASP A 16 6.944 14.607 4.965 1.00 40.12 C ATOM 234 CG ASP A 16 7.966 15.546 4.307 1.00 50.21 C ATOM 235 OD1 ASP A 16 7.851 15.808 3.088 1.00 11.23 O ATOM 236 OD2 ASP A 16 8.877 16.045 5.009 1.00 55.13 O ATOM 0 H ASP A 16 6.529 16.044 7.156 1.00 21.45 H new ATOM 0 HA ASP A 16 5.209 15.815 4.513 1.00 44.43 H new ATOM 0 HB2 ASP A 16 7.397 14.142 5.841 1.00 40.12 H new ATOM 0 HB3 ASP A 16 6.696 13.804 4.270 1.00 40.12 H new ATOM 241 N ASP A 17 4.414 14.380 7.295 1.00 31.12 N ATOM 242 CA ASP A 17 3.564 13.422 8.027 1.00 12.12 C ATOM 243 C ASP A 17 2.071 13.635 7.706 1.00 43.14 C ATOM 244 O ASP A 17 1.251 12.776 8.012 1.00 74.12 O ATOM 245 CB ASP A 17 3.839 13.519 9.556 1.00 31.10 C ATOM 246 CG ASP A 17 3.026 12.528 10.424 1.00 11.54 C ATOM 247 OD1 ASP A 17 3.262 11.308 10.325 1.00 53.41 O ATOM 248 OD2 ASP A 17 2.139 12.967 11.201 1.00 31.20 O ATOM 0 H ASP A 17 4.819 15.102 7.891 1.00 31.12 H new ATOM 0 HA ASP A 17 3.819 12.415 7.698 1.00 12.12 H new ATOM 0 HB2 ASP A 17 4.901 13.348 9.732 1.00 31.10 H new ATOM 0 HB3 ASP A 17 3.621 14.534 9.887 1.00 31.10 H new ATOM 253 N GLY A 18 1.729 14.784 7.082 1.00 50.42 N ATOM 254 CA GLY A 18 0.379 15.003 6.547 1.00 44.33 C ATOM 255 C GLY A 18 0.091 14.075 5.365 1.00 2.14 C ATOM 256 O GLY A 18 -0.999 13.489 5.271 1.00 72.11 O ATOM 0 H GLY A 18 2.369 15.566 6.940 1.00 50.42 H new ATOM 0 HA2 GLY A 18 -0.357 14.834 7.333 1.00 44.33 H new ATOM 0 HA3 GLY A 18 0.275 16.041 6.231 1.00 44.33 H new ATOM 260 N VAL A 19 1.101 13.931 4.474 1.00 14.15 N ATOM 261 CA VAL A 19 1.067 12.965 3.357 1.00 24.00 C ATOM 262 C VAL A 19 1.047 11.524 3.915 1.00 61.13 C ATOM 263 O VAL A 19 0.179 10.734 3.570 1.00 45.32 O ATOM 264 CB VAL A 19 2.300 13.146 2.392 1.00 63.04 C ATOM 265 CG1 VAL A 19 2.281 12.116 1.238 1.00 51.24 C ATOM 266 CG2 VAL A 19 2.378 14.586 1.834 1.00 11.24 C ATOM 0 H VAL A 19 1.959 14.481 4.512 1.00 14.15 H new ATOM 0 HA VAL A 19 0.161 13.152 2.780 1.00 24.00 H new ATOM 0 HB VAL A 19 3.195 12.965 2.987 1.00 63.04 H new ATOM 0 HG11 VAL A 19 3.147 12.274 0.595 1.00 51.24 H new ATOM 0 HG12 VAL A 19 2.314 11.107 1.650 1.00 51.24 H new ATOM 0 HG13 VAL A 19 1.369 12.240 0.655 1.00 51.24 H new ATOM 0 HG21 VAL A 19 3.240 14.674 1.173 1.00 11.24 H new ATOM 0 HG22 VAL A 19 1.469 14.810 1.276 1.00 11.24 H new ATOM 0 HG23 VAL A 19 2.480 15.291 2.659 1.00 11.24 H new ATOM 276 N VAL A 20 2.000 11.247 4.824 1.00 65.52 N ATOM 277 CA VAL A 20 2.173 9.936 5.492 1.00 30.21 C ATOM 278 C VAL A 20 0.861 9.469 6.182 1.00 53.33 C ATOM 279 O VAL A 20 0.475 8.303 6.059 1.00 51.14 O ATOM 280 CB VAL A 20 3.366 10.035 6.522 1.00 33.42 C ATOM 281 CG1 VAL A 20 3.463 8.813 7.455 1.00 21.13 C ATOM 282 CG2 VAL A 20 4.711 10.267 5.778 1.00 63.31 C ATOM 0 H VAL A 20 2.687 11.939 5.123 1.00 65.52 H new ATOM 0 HA VAL A 20 2.412 9.183 4.741 1.00 30.21 H new ATOM 0 HB VAL A 20 3.156 10.893 7.160 1.00 33.42 H new ATOM 0 HG11 VAL A 20 4.302 8.943 8.138 1.00 21.13 H new ATOM 0 HG12 VAL A 20 2.540 8.718 8.028 1.00 21.13 H new ATOM 0 HG13 VAL A 20 3.615 7.912 6.860 1.00 21.13 H new ATOM 0 HG21 VAL A 20 5.522 10.333 6.504 1.00 63.31 H new ATOM 0 HG22 VAL A 20 4.899 9.436 5.098 1.00 63.31 H new ATOM 0 HG23 VAL A 20 4.657 11.195 5.210 1.00 63.31 H new ATOM 292 N ALA A 21 0.167 10.419 6.839 1.00 21.42 N ATOM 293 CA ALA A 21 -1.092 10.159 7.570 1.00 61.13 C ATOM 294 C ALA A 21 -2.231 9.797 6.612 1.00 52.11 C ATOM 295 O ALA A 21 -2.994 8.864 6.876 1.00 70.14 O ATOM 296 CB ALA A 21 -1.495 11.388 8.400 1.00 51.41 C ATOM 0 H ALA A 21 0.464 11.394 6.879 1.00 21.42 H new ATOM 0 HA ALA A 21 -0.915 9.313 8.234 1.00 61.13 H new ATOM 0 HB1 ALA A 21 -2.424 11.180 8.931 1.00 51.41 H new ATOM 0 HB2 ALA A 21 -0.708 11.615 9.119 1.00 51.41 H new ATOM 0 HB3 ALA A 21 -1.639 12.242 7.739 1.00 51.41 H new ATOM 302 N MET A 22 -2.348 10.559 5.501 1.00 24.01 N ATOM 303 CA MET A 22 -3.429 10.343 4.518 1.00 10.15 C ATOM 304 C MET A 22 -3.175 9.074 3.677 1.00 40.22 C ATOM 305 O MET A 22 -4.122 8.496 3.153 1.00 11.35 O ATOM 306 CB MET A 22 -3.669 11.586 3.618 1.00 13.10 C ATOM 307 CG MET A 22 -2.585 11.888 2.579 1.00 33.51 C ATOM 308 SD MET A 22 -3.017 13.269 1.493 1.00 54.11 S ATOM 309 CE MET A 22 -4.514 12.672 0.697 1.00 42.33 C ATOM 0 H MET A 22 -1.713 11.322 5.266 1.00 24.01 H new ATOM 0 HA MET A 22 -4.347 10.189 5.086 1.00 10.15 H new ATOM 0 HB2 MET A 22 -4.617 11.453 3.096 1.00 13.10 H new ATOM 0 HB3 MET A 22 -3.779 12.459 4.262 1.00 13.10 H new ATOM 0 HG2 MET A 22 -1.650 12.114 3.092 1.00 33.51 H new ATOM 0 HG3 MET A 22 -2.410 10.998 1.975 1.00 33.51 H new ATOM 0 HE1 MET A 22 -4.667 13.208 -0.240 1.00 42.33 H new ATOM 0 HE2 MET A 22 -4.417 11.606 0.493 1.00 42.33 H new ATOM 0 HE3 MET A 22 -5.367 12.840 1.354 1.00 42.33 H new ATOM 319 N ILE A 23 -1.893 8.637 3.580 1.00 33.12 N ATOM 320 CA ILE A 23 -1.545 7.327 2.988 1.00 22.44 C ATOM 321 C ILE A 23 -2.051 6.217 3.930 1.00 4.42 C ATOM 322 O ILE A 23 -2.760 5.316 3.487 1.00 51.02 O ATOM 323 CB ILE A 23 0.005 7.131 2.728 1.00 74.45 C ATOM 324 CG1 ILE A 23 0.570 8.212 1.754 1.00 65.35 C ATOM 325 CG2 ILE A 23 0.291 5.716 2.167 1.00 31.22 C ATOM 326 CD1 ILE A 23 2.073 8.143 1.508 1.00 52.31 C ATOM 0 H ILE A 23 -1.088 9.174 3.904 1.00 33.12 H new ATOM 0 HA ILE A 23 -2.024 7.279 2.010 1.00 22.44 H new ATOM 0 HB ILE A 23 0.509 7.245 3.688 1.00 74.45 H new ATOM 0 HG12 ILE A 23 0.057 8.119 0.797 1.00 65.35 H new ATOM 0 HG13 ILE A 23 0.328 9.198 2.151 1.00 65.35 H new ATOM 0 HG21 ILE A 23 1.361 5.602 1.995 1.00 31.22 H new ATOM 0 HG22 ILE A 23 -0.043 4.966 2.884 1.00 31.22 H new ATOM 0 HG23 ILE A 23 -0.243 5.583 1.226 1.00 31.22 H new ATOM 0 HD11 ILE A 23 2.366 8.935 0.819 1.00 52.31 H new ATOM 0 HD12 ILE A 23 2.602 8.270 2.452 1.00 52.31 H new ATOM 0 HD13 ILE A 23 2.327 7.175 1.077 1.00 52.31 H new ATOM 338 N LYS A 24 -1.711 6.339 5.244 1.00 1.13 N ATOM 339 CA LYS A 24 -2.164 5.402 6.300 1.00 0.44 C ATOM 340 C LYS A 24 -3.695 5.264 6.302 1.00 61.13 C ATOM 341 O LYS A 24 -4.214 4.171 6.465 1.00 14.12 O ATOM 342 CB LYS A 24 -1.711 5.866 7.712 1.00 23.13 C ATOM 343 CG LYS A 24 -0.198 5.819 7.971 1.00 63.50 C ATOM 344 CD LYS A 24 0.154 6.305 9.398 1.00 3.23 C ATOM 345 CE LYS A 24 1.661 6.314 9.668 1.00 14.44 C ATOM 346 NZ LYS A 24 1.988 6.818 11.030 1.00 5.20 N ATOM 0 H LYS A 24 -1.116 7.090 5.595 1.00 1.13 H new ATOM 0 HA LYS A 24 -1.707 4.439 6.073 1.00 0.44 H new ATOM 0 HB2 LYS A 24 -2.057 6.888 7.868 1.00 23.13 H new ATOM 0 HB3 LYS A 24 -2.209 5.244 8.456 1.00 23.13 H new ATOM 0 HG2 LYS A 24 0.163 4.800 7.834 1.00 63.50 H new ATOM 0 HG3 LYS A 24 0.316 6.440 7.238 1.00 63.50 H new ATOM 0 HD2 LYS A 24 -0.242 7.310 9.542 1.00 3.23 H new ATOM 0 HD3 LYS A 24 -0.337 5.661 10.127 1.00 3.23 H new ATOM 0 HE2 LYS A 24 2.055 5.304 9.553 1.00 14.44 H new ATOM 0 HE3 LYS A 24 2.157 6.937 8.924 1.00 14.44 H new ATOM 0 HZ1 LYS A 24 3.019 6.806 11.167 1.00 5.20 H new ATOM 0 HZ2 LYS A 24 1.637 7.791 11.134 1.00 5.20 H new ATOM 0 HZ3 LYS A 24 1.537 6.210 11.743 1.00 5.20 H new ATOM 360 N GLU A 25 -4.384 6.404 6.101 1.00 4.21 N ATOM 361 CA GLU A 25 -5.847 6.477 6.108 1.00 53.44 C ATOM 362 C GLU A 25 -6.432 5.712 4.909 1.00 41.13 C ATOM 363 O GLU A 25 -7.278 4.834 5.090 1.00 55.44 O ATOM 364 CB GLU A 25 -6.303 7.957 6.097 1.00 32.11 C ATOM 365 CG GLU A 25 -7.826 8.144 6.206 1.00 64.10 C ATOM 366 CD GLU A 25 -8.254 9.616 6.194 1.00 43.03 C ATOM 367 OE1 GLU A 25 -8.112 10.301 7.232 1.00 52.32 O ATOM 368 OE2 GLU A 25 -8.705 10.108 5.138 1.00 43.25 O ATOM 0 H GLU A 25 -3.933 7.302 5.929 1.00 4.21 H new ATOM 0 HA GLU A 25 -6.220 6.007 7.018 1.00 53.44 H new ATOM 0 HB2 GLU A 25 -5.823 8.480 6.924 1.00 32.11 H new ATOM 0 HB3 GLU A 25 -5.955 8.427 5.177 1.00 32.11 H new ATOM 0 HG2 GLU A 25 -8.310 7.624 5.379 1.00 64.10 H new ATOM 0 HG3 GLU A 25 -8.178 7.677 7.126 1.00 64.10 H new ATOM 375 N LEU A 26 -5.920 6.029 3.694 1.00 2.40 N ATOM 376 CA LEU A 26 -6.381 5.405 2.434 1.00 10.33 C ATOM 377 C LEU A 26 -6.127 3.881 2.444 1.00 23.44 C ATOM 378 O LEU A 26 -6.926 3.115 1.920 1.00 41.34 O ATOM 379 CB LEU A 26 -5.682 6.047 1.193 1.00 12.24 C ATOM 380 CG LEU A 26 -6.036 7.533 0.860 1.00 3.24 C ATOM 381 CD1 LEU A 26 -5.173 8.060 -0.309 1.00 43.41 C ATOM 382 CD2 LEU A 26 -7.536 7.703 0.556 1.00 63.51 C ATOM 0 H LEU A 26 -5.181 6.720 3.563 1.00 2.40 H new ATOM 0 HA LEU A 26 -7.454 5.584 2.360 1.00 10.33 H new ATOM 0 HB2 LEU A 26 -4.604 5.982 1.342 1.00 12.24 H new ATOM 0 HB3 LEU A 26 -5.920 5.440 0.320 1.00 12.24 H new ATOM 0 HG LEU A 26 -5.810 8.129 1.744 1.00 3.24 H new ATOM 0 HD11 LEU A 26 -5.440 9.096 -0.520 1.00 43.41 H new ATOM 0 HD12 LEU A 26 -4.119 8.005 -0.037 1.00 43.41 H new ATOM 0 HD13 LEU A 26 -5.351 7.452 -1.196 1.00 43.41 H new ATOM 0 HD21 LEU A 26 -7.745 8.748 0.329 1.00 63.51 H new ATOM 0 HD22 LEU A 26 -7.806 7.085 -0.300 1.00 63.51 H new ATOM 0 HD23 LEU A 26 -8.120 7.396 1.424 1.00 63.51 H new ATOM 394 N LEU A 27 -5.015 3.461 3.060 1.00 20.52 N ATOM 395 CA LEU A 27 -4.687 2.037 3.213 1.00 30.53 C ATOM 396 C LEU A 27 -5.658 1.382 4.202 1.00 1.15 C ATOM 397 O LEU A 27 -6.348 0.443 3.856 1.00 15.32 O ATOM 398 CB LEU A 27 -3.222 1.860 3.691 1.00 64.21 C ATOM 399 CG LEU A 27 -2.128 2.341 2.697 1.00 65.43 C ATOM 400 CD1 LEU A 27 -0.742 2.268 3.339 1.00 3.13 C ATOM 401 CD2 LEU A 27 -2.180 1.550 1.377 1.00 13.44 C ATOM 0 H LEU A 27 -4.322 4.092 3.463 1.00 20.52 H new ATOM 0 HA LEU A 27 -4.787 1.549 2.244 1.00 30.53 H new ATOM 0 HB2 LEU A 27 -3.097 2.400 4.630 1.00 64.21 H new ATOM 0 HB3 LEU A 27 -3.054 0.805 3.906 1.00 64.21 H new ATOM 0 HG LEU A 27 -2.330 3.384 2.455 1.00 65.43 H new ATOM 0 HD11 LEU A 27 0.008 2.609 2.625 1.00 3.13 H new ATOM 0 HD12 LEU A 27 -0.717 2.904 4.224 1.00 3.13 H new ATOM 0 HD13 LEU A 27 -0.528 1.239 3.626 1.00 3.13 H new ATOM 0 HD21 LEU A 27 -1.402 1.912 0.705 1.00 13.44 H new ATOM 0 HD22 LEU A 27 -2.020 0.491 1.581 1.00 13.44 H new ATOM 0 HD23 LEU A 27 -3.155 1.686 0.909 1.00 13.44 H new ATOM 413 N ASP A 28 -5.757 1.969 5.398 1.00 14.31 N ATOM 414 CA ASP A 28 -6.445 1.365 6.557 1.00 64.22 C ATOM 415 C ASP A 28 -7.942 1.141 6.297 1.00 10.31 C ATOM 416 O ASP A 28 -8.499 0.112 6.687 1.00 30.13 O ATOM 417 CB ASP A 28 -6.225 2.237 7.822 1.00 72.53 C ATOM 418 CG ASP A 28 -6.703 1.557 9.114 1.00 71.03 C ATOM 419 OD1 ASP A 28 -5.937 0.755 9.688 1.00 64.31 O ATOM 420 OD2 ASP A 28 -7.845 1.810 9.562 1.00 43.13 O ATOM 0 H ASP A 28 -5.360 2.887 5.597 1.00 14.31 H new ATOM 0 HA ASP A 28 -6.007 0.381 6.723 1.00 64.22 H new ATOM 0 HB2 ASP A 28 -5.165 2.473 7.913 1.00 72.53 H new ATOM 0 HB3 ASP A 28 -6.752 3.183 7.700 1.00 72.53 H new ATOM 425 N THR A 29 -8.566 2.100 5.608 1.00 41.55 N ATOM 426 CA THR A 29 -10.010 2.087 5.347 1.00 21.43 C ATOM 427 C THR A 29 -10.368 1.277 4.076 1.00 50.32 C ATOM 428 O THR A 29 -11.401 0.596 4.037 1.00 22.30 O ATOM 429 CB THR A 29 -10.550 3.547 5.216 1.00 34.25 C ATOM 430 OG1 THR A 29 -9.834 4.251 4.186 1.00 71.31 O ATOM 431 CG2 THR A 29 -10.425 4.327 6.539 1.00 33.40 C ATOM 0 H THR A 29 -8.085 2.909 5.214 1.00 41.55 H new ATOM 0 HA THR A 29 -10.486 1.596 6.196 1.00 21.43 H new ATOM 0 HB THR A 29 -11.607 3.477 4.957 1.00 34.25 H new ATOM 0 HG1 THR A 29 -8.959 4.531 4.528 1.00 71.31 H new ATOM 0 HG21 THR A 29 -10.812 5.337 6.404 1.00 33.40 H new ATOM 0 HG22 THR A 29 -10.998 3.820 7.316 1.00 33.40 H new ATOM 0 HG23 THR A 29 -9.377 4.376 6.835 1.00 33.40 H new ATOM 439 N ARG A 30 -9.512 1.352 3.044 1.00 10.44 N ATOM 440 CA ARG A 30 -9.816 0.815 1.697 1.00 25.04 C ATOM 441 C ARG A 30 -9.086 -0.517 1.444 1.00 31.31 C ATOM 442 O ARG A 30 -9.723 -1.547 1.212 1.00 73.33 O ATOM 443 CB ARG A 30 -9.402 1.860 0.627 1.00 75.42 C ATOM 444 CG ARG A 30 -10.023 3.264 0.823 1.00 13.21 C ATOM 445 CD ARG A 30 -9.354 4.340 -0.046 1.00 55.43 C ATOM 446 NE ARG A 30 -9.383 4.007 -1.477 1.00 35.05 N ATOM 447 CZ ARG A 30 -9.814 4.821 -2.449 1.00 25.24 C ATOM 448 NH1 ARG A 30 -10.269 6.043 -2.168 1.00 32.31 N ATOM 449 NH2 ARG A 30 -9.759 4.417 -3.707 1.00 45.14 N ATOM 0 H ARG A 30 -8.591 1.784 3.114 1.00 10.44 H new ATOM 0 HA ARG A 30 -10.887 0.622 1.634 1.00 25.04 H new ATOM 0 HB2 ARG A 30 -8.316 1.954 0.631 1.00 75.42 H new ATOM 0 HB3 ARG A 30 -9.686 1.486 -0.356 1.00 75.42 H new ATOM 0 HG2 ARG A 30 -11.086 3.222 0.586 1.00 13.21 H new ATOM 0 HG3 ARG A 30 -9.941 3.549 1.872 1.00 13.21 H new ATOM 0 HD2 ARG A 30 -9.857 5.294 0.112 1.00 55.43 H new ATOM 0 HD3 ARG A 30 -8.320 4.468 0.273 1.00 55.43 H new ATOM 0 HE ARG A 30 -9.049 3.083 -1.751 1.00 35.05 H new ATOM 0 HH11 ARG A 30 -10.292 6.369 -1.202 1.00 32.31 H new ATOM 0 HH12 ARG A 30 -10.594 6.651 -2.919 1.00 32.31 H new ATOM 0 HH21 ARG A 30 -9.391 3.492 -3.930 1.00 45.14 H new ATOM 0 HH22 ARG A 30 -10.085 5.030 -4.454 1.00 45.14 H new ATOM 463 N ILE A 31 -7.748 -0.488 1.545 1.00 41.23 N ATOM 464 CA ILE A 31 -6.887 -1.583 1.057 1.00 73.54 C ATOM 465 C ILE A 31 -6.771 -2.709 2.104 1.00 41.55 C ATOM 466 O ILE A 31 -6.956 -3.870 1.762 1.00 3.54 O ATOM 467 CB ILE A 31 -5.459 -1.050 0.675 1.00 42.52 C ATOM 468 CG1 ILE A 31 -5.554 0.072 -0.400 1.00 5.43 C ATOM 469 CG2 ILE A 31 -4.522 -2.179 0.195 1.00 42.34 C ATOM 470 CD1 ILE A 31 -6.194 -0.335 -1.728 1.00 42.33 C ATOM 0 H ILE A 31 -7.233 0.287 1.963 1.00 41.23 H new ATOM 0 HA ILE A 31 -7.355 -1.993 0.162 1.00 73.54 H new ATOM 0 HB ILE A 31 -5.025 -0.631 1.583 1.00 42.52 H new ATOM 0 HG12 ILE A 31 -6.123 0.902 0.017 1.00 5.43 H new ATOM 0 HG13 ILE A 31 -4.549 0.444 -0.601 1.00 5.43 H new ATOM 0 HG21 ILE A 31 -3.548 -1.761 -0.057 1.00 42.34 H new ATOM 0 HG22 ILE A 31 -4.406 -2.917 0.988 1.00 42.34 H new ATOM 0 HG23 ILE A 31 -4.950 -2.658 -0.686 1.00 42.34 H new ATOM 0 HD11 ILE A 31 -6.209 0.521 -2.402 1.00 42.33 H new ATOM 0 HD12 ILE A 31 -5.616 -1.141 -2.179 1.00 42.33 H new ATOM 0 HD13 ILE A 31 -7.214 -0.675 -1.551 1.00 42.33 H new ATOM 482 N ARG A 32 -6.489 -2.343 3.377 1.00 72.30 N ATOM 483 CA ARG A 32 -6.299 -3.310 4.479 1.00 2.55 C ATOM 484 C ARG A 32 -7.494 -4.295 4.597 1.00 22.23 C ATOM 485 O ARG A 32 -7.243 -5.495 4.559 1.00 63.23 O ATOM 486 CB ARG A 32 -6.018 -2.636 5.861 1.00 44.42 C ATOM 487 CG ARG A 32 -4.662 -1.904 5.978 1.00 42.11 C ATOM 488 CD ARG A 32 -4.306 -1.554 7.439 1.00 43.43 C ATOM 489 NE ARG A 32 -4.135 -2.772 8.251 1.00 70.22 N ATOM 490 CZ ARG A 32 -4.393 -2.899 9.566 1.00 43.23 C ATOM 491 NH1 ARG A 32 -4.840 -1.872 10.297 1.00 73.32 N ATOM 492 NH2 ARG A 32 -4.200 -4.074 10.139 1.00 25.34 N ATOM 0 H ARG A 32 -6.387 -1.370 3.666 1.00 72.30 H new ATOM 0 HA ARG A 32 -5.404 -3.872 4.211 1.00 2.55 H new ATOM 0 HB2 ARG A 32 -6.816 -1.922 6.067 1.00 44.42 H new ATOM 0 HB3 ARG A 32 -6.067 -3.401 6.636 1.00 44.42 H new ATOM 0 HG2 ARG A 32 -3.876 -2.531 5.556 1.00 42.11 H new ATOM 0 HG3 ARG A 32 -4.694 -0.990 5.386 1.00 42.11 H new ATOM 0 HD2 ARG A 32 -3.388 -0.966 7.462 1.00 43.43 H new ATOM 0 HD3 ARG A 32 -5.092 -0.934 7.869 1.00 43.43 H new ATOM 0 HE ARG A 32 -3.787 -3.601 7.769 1.00 70.22 H new ATOM 0 HH11 ARG A 32 -4.994 -0.963 9.860 1.00 73.32 H new ATOM 0 HH12 ARG A 32 -5.027 -1.997 11.292 1.00 73.32 H new ATOM 0 HH21 ARG A 32 -3.862 -4.862 9.586 1.00 25.34 H new ATOM 0 HH22 ARG A 32 -4.389 -4.193 11.134 1.00 25.34 H new ATOM 506 N PRO A 33 -8.813 -3.825 4.699 1.00 61.20 N ATOM 507 CA PRO A 33 -9.983 -4.744 4.774 1.00 22.54 C ATOM 508 C PRO A 33 -10.028 -5.735 3.589 1.00 41.12 C ATOM 509 O PRO A 33 -10.251 -6.924 3.793 1.00 71.22 O ATOM 510 CB PRO A 33 -11.213 -3.788 4.772 1.00 54.45 C ATOM 511 CG PRO A 33 -10.679 -2.495 5.303 1.00 34.10 C ATOM 512 CD PRO A 33 -9.271 -2.399 4.756 1.00 10.23 C ATOM 0 HA PRO A 33 -9.947 -5.381 5.658 1.00 22.54 H new ATOM 0 HB2 PRO A 33 -11.621 -3.667 3.768 1.00 54.45 H new ATOM 0 HB3 PRO A 33 -12.017 -4.173 5.399 1.00 54.45 H new ATOM 0 HG2 PRO A 33 -11.288 -1.652 4.976 1.00 34.10 H new ATOM 0 HG3 PRO A 33 -10.681 -2.485 6.393 1.00 34.10 H new ATOM 0 HD2 PRO A 33 -9.255 -1.934 3.770 1.00 10.23 H new ATOM 0 HD3 PRO A 33 -8.631 -1.798 5.402 1.00 10.23 H new ATOM 520 N THR A 34 -9.732 -5.222 2.372 1.00 22.40 N ATOM 521 CA THR A 34 -9.697 -6.021 1.129 1.00 34.00 C ATOM 522 C THR A 34 -8.659 -7.164 1.223 1.00 55.23 C ATOM 523 O THR A 34 -8.978 -8.327 0.965 1.00 14.53 O ATOM 524 CB THR A 34 -9.370 -5.110 -0.103 1.00 24.23 C ATOM 525 OG1 THR A 34 -10.388 -4.109 -0.252 1.00 65.13 O ATOM 526 CG2 THR A 34 -9.233 -5.899 -1.421 1.00 12.32 C ATOM 0 H THR A 34 -9.510 -4.237 2.226 1.00 22.40 H new ATOM 0 HA THR A 34 -10.684 -6.463 0.996 1.00 34.00 H new ATOM 0 HB THR A 34 -8.403 -4.648 0.098 1.00 24.23 H new ATOM 0 HG1 THR A 34 -10.128 -3.302 0.240 1.00 65.13 H new ATOM 0 HG21 THR A 34 -9.007 -5.211 -2.235 1.00 12.32 H new ATOM 0 HG22 THR A 34 -8.428 -6.627 -1.327 1.00 12.32 H new ATOM 0 HG23 THR A 34 -10.168 -6.417 -1.634 1.00 12.32 H new ATOM 534 N VAL A 35 -7.427 -6.812 1.619 1.00 62.21 N ATOM 535 CA VAL A 35 -6.298 -7.763 1.689 1.00 62.54 C ATOM 536 C VAL A 35 -6.476 -8.753 2.869 1.00 42.25 C ATOM 537 O VAL A 35 -5.995 -9.883 2.811 1.00 21.41 O ATOM 538 CB VAL A 35 -4.920 -7.002 1.774 1.00 3.44 C ATOM 539 CG1 VAL A 35 -3.718 -7.972 1.712 1.00 3.45 C ATOM 540 CG2 VAL A 35 -4.807 -5.954 0.646 1.00 41.55 C ATOM 0 H VAL A 35 -7.181 -5.863 1.900 1.00 62.21 H new ATOM 0 HA VAL A 35 -6.292 -8.348 0.769 1.00 62.54 H new ATOM 0 HB VAL A 35 -4.893 -6.497 2.740 1.00 3.44 H new ATOM 0 HG11 VAL A 35 -2.789 -7.405 1.774 1.00 3.45 H new ATOM 0 HG12 VAL A 35 -3.772 -8.672 2.546 1.00 3.45 H new ATOM 0 HG13 VAL A 35 -3.744 -8.524 0.773 1.00 3.45 H new ATOM 0 HG21 VAL A 35 -3.849 -5.440 0.722 1.00 41.55 H new ATOM 0 HG22 VAL A 35 -4.876 -6.452 -0.321 1.00 41.55 H new ATOM 0 HG23 VAL A 35 -5.616 -5.230 0.740 1.00 41.55 H new ATOM 550 N GLN A 36 -7.215 -8.328 3.914 1.00 32.31 N ATOM 551 CA GLN A 36 -7.586 -9.211 5.048 1.00 22.03 C ATOM 552 C GLN A 36 -8.663 -10.223 4.615 1.00 24.32 C ATOM 553 O GLN A 36 -8.701 -11.352 5.121 1.00 31.42 O ATOM 554 CB GLN A 36 -8.048 -8.370 6.271 1.00 32.35 C ATOM 555 CG GLN A 36 -6.924 -7.495 6.878 1.00 33.25 C ATOM 556 CD GLN A 36 -7.398 -6.523 7.966 1.00 54.44 C ATOM 557 OE1 GLN A 36 -8.326 -6.810 8.721 1.00 2.34 O ATOM 558 NE2 GLN A 36 -6.775 -5.356 8.040 1.00 74.24 N ATOM 0 H GLN A 36 -7.570 -7.375 4.000 1.00 32.31 H new ATOM 0 HA GLN A 36 -6.705 -9.776 5.353 1.00 22.03 H new ATOM 0 HB2 GLN A 36 -8.875 -7.727 5.969 1.00 32.35 H new ATOM 0 HB3 GLN A 36 -8.431 -9.041 7.040 1.00 32.35 H new ATOM 0 HG2 GLN A 36 -6.159 -8.148 7.299 1.00 33.25 H new ATOM 0 HG3 GLN A 36 -6.452 -6.924 6.078 1.00 33.25 H new ATOM 0 HE21 GLN A 36 -6.009 -5.146 7.401 1.00 74.24 H new ATOM 0 HE22 GLN A 36 -7.062 -4.668 8.736 1.00 74.24 H new ATOM 567 N GLU A 37 -9.523 -9.817 3.658 1.00 20.42 N ATOM 568 CA GLU A 37 -10.501 -10.724 3.015 1.00 75.53 C ATOM 569 C GLU A 37 -9.785 -11.674 2.028 1.00 1.12 C ATOM 570 O GLU A 37 -10.262 -12.781 1.753 1.00 53.35 O ATOM 571 CB GLU A 37 -11.608 -9.911 2.290 1.00 2.12 C ATOM 572 CG GLU A 37 -12.476 -9.017 3.208 1.00 44.42 C ATOM 573 CD GLU A 37 -13.151 -9.769 4.368 1.00 35.50 C ATOM 574 OE1 GLU A 37 -14.210 -10.396 4.149 1.00 23.03 O ATOM 575 OE2 GLU A 37 -12.628 -9.739 5.504 1.00 52.21 O ATOM 0 H GLU A 37 -9.561 -8.859 3.310 1.00 20.42 H new ATOM 0 HA GLU A 37 -10.975 -11.326 3.790 1.00 75.53 H new ATOM 0 HB2 GLU A 37 -11.138 -9.281 1.535 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -12.262 -10.606 1.763 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -11.852 -8.224 3.619 1.00 44.42 H new ATOM 0 HG3 GLU A 37 -13.246 -8.536 2.605 1.00 44.42 H new ATOM 582 N ASP A 38 -8.642 -11.212 1.491 1.00 43.05 N ATOM 583 CA ASP A 38 -7.715 -12.041 0.689 1.00 32.33 C ATOM 584 C ASP A 38 -6.902 -12.977 1.617 1.00 52.35 C ATOM 585 O ASP A 38 -6.387 -14.009 1.182 1.00 61.12 O ATOM 586 CB ASP A 38 -6.780 -11.114 -0.143 1.00 55.54 C ATOM 587 CG ASP A 38 -5.755 -11.868 -1.013 1.00 41.31 C ATOM 588 OD1 ASP A 38 -6.127 -12.342 -2.111 1.00 11.23 O ATOM 589 OD2 ASP A 38 -4.576 -11.992 -0.607 1.00 53.21 O ATOM 0 H ASP A 38 -8.330 -10.247 1.600 1.00 43.05 H new ATOM 0 HA ASP A 38 -8.282 -12.667 -0.000 1.00 32.33 H new ATOM 0 HB2 ASP A 38 -7.392 -10.483 -0.787 1.00 55.54 H new ATOM 0 HB3 ASP A 38 -6.245 -10.451 0.537 1.00 55.54 H new ATOM 594 N GLY A 39 -6.814 -12.603 2.907 1.00 63.14 N ATOM 595 CA GLY A 39 -6.203 -13.439 3.945 1.00 44.14 C ATOM 596 C GLY A 39 -4.913 -12.863 4.501 1.00 72.14 C ATOM 597 O GLY A 39 -4.446 -13.308 5.553 1.00 31.51 O ATOM 0 H GLY A 39 -7.166 -11.711 3.254 1.00 63.14 H new ATOM 0 HA2 GLY A 39 -6.914 -13.571 4.760 1.00 44.14 H new ATOM 0 HA3 GLY A 39 -6.003 -14.428 3.533 1.00 44.14 H new ATOM 601 N GLY A 40 -4.322 -11.893 3.776 1.00 32.34 N ATOM 602 CA GLY A 40 -3.100 -11.206 4.216 1.00 21.33 C ATOM 603 C GLY A 40 -3.399 -9.877 4.907 1.00 22.40 C ATOM 604 O GLY A 40 -4.410 -9.759 5.613 1.00 14.41 O ATOM 0 H GLY A 40 -4.678 -11.568 2.877 1.00 32.34 H new ATOM 0 HA2 GLY A 40 -2.549 -11.852 4.899 1.00 21.33 H new ATOM 0 HA3 GLY A 40 -2.456 -11.028 3.355 1.00 21.33 H new ATOM 608 N ASP A 41 -2.503 -8.890 4.718 1.00 61.41 N ATOM 609 CA ASP A 41 -2.682 -7.502 5.193 1.00 65.15 C ATOM 610 C ASP A 41 -1.564 -6.620 4.619 1.00 1.31 C ATOM 611 O ASP A 41 -0.507 -7.127 4.209 1.00 4.34 O ATOM 612 CB ASP A 41 -2.707 -7.417 6.754 1.00 72.23 C ATOM 613 CG ASP A 41 -3.073 -6.022 7.303 1.00 42.34 C ATOM 614 OD1 ASP A 41 -4.030 -5.407 6.786 1.00 13.32 O ATOM 615 OD2 ASP A 41 -2.410 -5.537 8.247 1.00 32.33 O ATOM 0 H ASP A 41 -1.622 -9.035 4.225 1.00 61.41 H new ATOM 0 HA ASP A 41 -3.649 -7.142 4.841 1.00 65.15 H new ATOM 0 HB2 ASP A 41 -3.423 -8.145 7.135 1.00 72.23 H new ATOM 0 HB3 ASP A 41 -1.728 -7.701 7.138 1.00 72.23 H new ATOM 620 N VAL A 42 -1.813 -5.297 4.581 1.00 70.33 N ATOM 621 CA VAL A 42 -0.821 -4.293 4.168 1.00 3.13 C ATOM 622 C VAL A 42 -0.519 -3.384 5.383 1.00 34.31 C ATOM 623 O VAL A 42 -1.409 -2.716 5.919 1.00 73.51 O ATOM 624 CB VAL A 42 -1.283 -3.459 2.903 1.00 31.31 C ATOM 625 CG1 VAL A 42 -1.451 -4.379 1.677 1.00 21.52 C ATOM 626 CG2 VAL A 42 -2.582 -2.662 3.149 1.00 34.53 C ATOM 0 H VAL A 42 -2.715 -4.895 4.838 1.00 70.33 H new ATOM 0 HA VAL A 42 0.089 -4.802 3.852 1.00 3.13 H new ATOM 0 HB VAL A 42 -0.494 -2.732 2.708 1.00 31.31 H new ATOM 0 HG11 VAL A 42 -1.769 -3.787 0.819 1.00 21.52 H new ATOM 0 HG12 VAL A 42 -0.501 -4.863 1.452 1.00 21.52 H new ATOM 0 HG13 VAL A 42 -2.203 -5.138 1.892 1.00 21.52 H new ATOM 0 HG21 VAL A 42 -2.847 -2.111 2.247 1.00 34.53 H new ATOM 0 HG22 VAL A 42 -3.388 -3.350 3.405 1.00 34.53 H new ATOM 0 HG23 VAL A 42 -2.429 -1.961 3.970 1.00 34.53 H new ATOM 636 N ILE A 43 0.728 -3.426 5.861 1.00 32.02 N ATOM 637 CA ILE A 43 1.154 -2.704 7.066 1.00 70.02 C ATOM 638 C ILE A 43 2.041 -1.538 6.625 1.00 72.34 C ATOM 639 O ILE A 43 3.075 -1.767 5.988 1.00 63.41 O ATOM 640 CB ILE A 43 1.953 -3.624 8.081 1.00 1.22 C ATOM 641 CG1 ILE A 43 1.188 -4.957 8.424 1.00 11.34 C ATOM 642 CG2 ILE A 43 2.285 -2.844 9.382 1.00 3.15 C ATOM 643 CD1 ILE A 43 1.215 -6.035 7.342 1.00 5.41 C ATOM 0 H ILE A 43 1.475 -3.964 5.422 1.00 32.02 H new ATOM 0 HA ILE A 43 0.265 -2.357 7.592 1.00 70.02 H new ATOM 0 HB ILE A 43 2.881 -3.906 7.584 1.00 1.22 H new ATOM 0 HG12 ILE A 43 1.614 -5.374 9.337 1.00 11.34 H new ATOM 0 HG13 ILE A 43 0.148 -4.712 8.641 1.00 11.34 H new ATOM 0 HG21 ILE A 43 2.833 -3.493 10.065 1.00 3.15 H new ATOM 0 HG22 ILE A 43 2.895 -1.974 9.139 1.00 3.15 H new ATOM 0 HG23 ILE A 43 1.360 -2.517 9.856 1.00 3.15 H new ATOM 0 HD11 ILE A 43 0.658 -6.908 7.684 1.00 5.41 H new ATOM 0 HD12 ILE A 43 0.759 -5.648 6.431 1.00 5.41 H new ATOM 0 HD13 ILE A 43 2.247 -6.320 7.138 1.00 5.41 H new ATOM 655 N TYR A 44 1.633 -0.299 6.949 1.00 72.41 N ATOM 656 CA TYR A 44 2.395 0.893 6.578 1.00 0.25 C ATOM 657 C TYR A 44 3.704 0.944 7.389 1.00 61.23 C ATOM 658 O TYR A 44 3.674 1.079 8.617 1.00 73.32 O ATOM 659 CB TYR A 44 1.563 2.182 6.790 1.00 52.14 C ATOM 660 CG TYR A 44 2.268 3.452 6.285 1.00 21.01 C ATOM 661 CD1 TYR A 44 2.168 3.840 4.952 1.00 14.13 C ATOM 662 CD2 TYR A 44 3.051 4.243 7.130 1.00 21.11 C ATOM 663 CE1 TYR A 44 2.797 4.970 4.489 1.00 5.42 C ATOM 664 CE2 TYR A 44 3.675 5.372 6.665 1.00 71.03 C ATOM 665 CZ TYR A 44 3.551 5.726 5.343 1.00 53.33 C ATOM 666 OH TYR A 44 4.171 6.855 4.884 1.00 70.53 O ATOM 0 H TYR A 44 0.777 -0.103 7.468 1.00 72.41 H new ATOM 0 HA TYR A 44 2.636 0.835 5.517 1.00 0.25 H new ATOM 0 HB2 TYR A 44 0.607 2.077 6.277 1.00 52.14 H new ATOM 0 HB3 TYR A 44 1.344 2.294 7.852 1.00 52.14 H new ATOM 0 HD1 TYR A 44 1.585 3.241 4.268 1.00 14.13 H new ATOM 0 HD2 TYR A 44 3.167 3.961 8.166 1.00 21.11 H new ATOM 0 HE1 TYR A 44 2.696 5.260 3.454 1.00 5.42 H new ATOM 0 HE2 TYR A 44 4.262 5.981 7.336 1.00 71.03 H new ATOM 0 HH TYR A 44 5.106 6.857 5.177 1.00 70.53 H new ATOM 676 N LYS A 45 4.832 0.805 6.684 1.00 31.22 N ATOM 677 CA LYS A 45 6.181 0.746 7.284 1.00 53.54 C ATOM 678 C LYS A 45 6.929 2.077 7.135 1.00 71.15 C ATOM 679 O LYS A 45 7.784 2.404 7.977 1.00 43.03 O ATOM 680 CB LYS A 45 6.976 -0.415 6.635 1.00 73.14 C ATOM 681 CG LYS A 45 6.433 -1.811 7.004 1.00 63.44 C ATOM 682 CD LYS A 45 6.667 -2.146 8.496 1.00 45.20 C ATOM 683 CE LYS A 45 6.001 -3.459 8.928 1.00 51.34 C ATOM 684 NZ LYS A 45 6.542 -3.950 10.223 1.00 72.53 N ATOM 0 H LYS A 45 4.840 0.729 5.667 1.00 31.22 H new ATOM 0 HA LYS A 45 6.079 0.562 8.354 1.00 53.54 H new ATOM 0 HB2 LYS A 45 6.954 -0.299 5.551 1.00 73.14 H new ATOM 0 HB3 LYS A 45 8.020 -0.347 6.942 1.00 73.14 H new ATOM 0 HG2 LYS A 45 5.366 -1.855 6.785 1.00 63.44 H new ATOM 0 HG3 LYS A 45 6.917 -2.565 6.383 1.00 63.44 H new ATOM 0 HD2 LYS A 45 7.739 -2.210 8.684 1.00 45.20 H new ATOM 0 HD3 LYS A 45 6.283 -1.331 9.110 1.00 45.20 H new ATOM 0 HE2 LYS A 45 4.925 -3.309 9.016 1.00 51.34 H new ATOM 0 HE3 LYS A 45 6.155 -4.216 8.159 1.00 51.34 H new ATOM 0 HZ1 LYS A 45 6.325 -4.962 10.329 1.00 72.53 H new ATOM 0 HZ2 LYS A 45 7.573 -3.813 10.243 1.00 72.53 H new ATOM 0 HZ3 LYS A 45 6.107 -3.419 11.005 1.00 72.53 H new ATOM 698 N GLY A 46 6.627 2.842 6.065 1.00 22.31 N ATOM 699 CA GLY A 46 7.229 4.171 5.898 1.00 65.51 C ATOM 700 C GLY A 46 7.002 4.796 4.530 1.00 63.53 C ATOM 701 O GLY A 46 6.207 4.299 3.732 1.00 71.23 O ATOM 0 H GLY A 46 5.984 2.566 5.322 1.00 22.31 H new ATOM 0 HA2 GLY A 46 6.825 4.838 6.660 1.00 65.51 H new ATOM 0 HA3 GLY A 46 8.302 4.096 6.076 1.00 65.51 H new ATOM 705 N PHE A 47 7.693 5.925 4.291 1.00 75.35 N ATOM 706 CA PHE A 47 7.675 6.658 3.016 1.00 70.31 C ATOM 707 C PHE A 47 9.038 7.343 2.885 1.00 25.10 C ATOM 708 O PHE A 47 9.348 8.263 3.645 1.00 12.13 O ATOM 709 CB PHE A 47 6.512 7.692 3.013 1.00 63.44 C ATOM 710 CG PHE A 47 6.353 8.545 1.750 1.00 72.02 C ATOM 711 CD1 PHE A 47 5.748 8.022 0.610 1.00 21.00 C ATOM 712 CD2 PHE A 47 6.776 9.878 1.717 1.00 51.43 C ATOM 713 CE1 PHE A 47 5.571 8.798 -0.523 1.00 51.42 C ATOM 714 CE2 PHE A 47 6.594 10.652 0.586 1.00 2.53 C ATOM 715 CZ PHE A 47 5.992 10.112 -0.534 1.00 42.25 C ATOM 0 H PHE A 47 8.291 6.360 4.994 1.00 75.35 H new ATOM 0 HA PHE A 47 7.507 5.992 2.170 1.00 70.31 H new ATOM 0 HB2 PHE A 47 5.579 7.155 3.180 1.00 63.44 H new ATOM 0 HB3 PHE A 47 6.651 8.362 3.861 1.00 63.44 H new ATOM 0 HD1 PHE A 47 5.412 6.996 0.610 1.00 21.00 H new ATOM 0 HD2 PHE A 47 7.251 10.308 2.586 1.00 51.43 H new ATOM 0 HE1 PHE A 47 5.103 8.374 -1.399 1.00 51.42 H new ATOM 0 HE2 PHE A 47 6.923 11.681 0.578 1.00 2.53 H new ATOM 0 HZ PHE A 47 5.851 10.718 -1.417 1.00 42.25 H new ATOM 725 N GLU A 48 9.854 6.870 1.937 1.00 3.33 N ATOM 726 CA GLU A 48 11.203 7.404 1.681 1.00 14.01 C ATOM 727 C GLU A 48 11.344 7.655 0.178 1.00 62.21 C ATOM 728 O GLU A 48 10.968 6.783 -0.618 1.00 43.34 O ATOM 729 CB GLU A 48 12.311 6.415 2.144 1.00 64.12 C ATOM 730 CG GLU A 48 12.324 6.092 3.648 1.00 63.12 C ATOM 731 CD GLU A 48 13.559 5.274 4.075 1.00 64.33 C ATOM 732 OE1 GLU A 48 14.594 5.887 4.416 1.00 62.15 O ATOM 733 OE2 GLU A 48 13.504 4.026 4.067 1.00 30.25 O ATOM 0 H GLU A 48 9.598 6.100 1.319 1.00 3.33 H new ATOM 0 HA GLU A 48 11.326 8.328 2.247 1.00 14.01 H new ATOM 0 HB2 GLU A 48 12.196 5.483 1.591 1.00 64.12 H new ATOM 0 HB3 GLU A 48 13.281 6.830 1.871 1.00 64.12 H new ATOM 0 HG2 GLU A 48 12.297 7.023 4.215 1.00 63.12 H new ATOM 0 HG3 GLU A 48 11.421 5.537 3.903 1.00 63.12 H new ATOM 740 N ASP A 49 11.846 8.860 -0.191 1.00 50.24 N ATOM 741 CA ASP A 49 12.142 9.281 -1.591 1.00 4.33 C ATOM 742 C ASP A 49 10.874 9.670 -2.393 1.00 1.22 C ATOM 743 O ASP A 49 10.919 10.586 -3.219 1.00 35.54 O ATOM 744 CB ASP A 49 12.958 8.206 -2.374 1.00 75.03 C ATOM 745 CG ASP A 49 14.357 7.954 -1.785 1.00 12.32 C ATOM 746 OD1 ASP A 49 14.501 7.077 -0.899 1.00 45.24 O ATOM 747 OD2 ASP A 49 15.321 8.636 -2.202 1.00 62.04 O ATOM 0 H ASP A 49 12.063 9.587 0.491 1.00 50.24 H new ATOM 0 HA ASP A 49 12.756 10.176 -1.491 1.00 4.33 H new ATOM 0 HB2 ASP A 49 12.400 7.270 -2.380 1.00 75.03 H new ATOM 0 HB3 ASP A 49 13.060 8.523 -3.412 1.00 75.03 H new ATOM 752 N GLY A 50 9.756 8.991 -2.099 1.00 42.32 N ATOM 753 CA GLY A 50 8.548 9.013 -2.939 1.00 31.53 C ATOM 754 C GLY A 50 7.935 7.620 -3.042 1.00 51.12 C ATOM 755 O GLY A 50 6.852 7.435 -3.607 1.00 42.32 O ATOM 0 H GLY A 50 9.663 8.408 -1.267 1.00 42.32 H new ATOM 0 HA2 GLY A 50 7.819 9.706 -2.518 1.00 31.53 H new ATOM 0 HA3 GLY A 50 8.798 9.380 -3.934 1.00 31.53 H new ATOM 759 N ILE A 51 8.645 6.633 -2.474 1.00 73.14 N ATOM 760 CA ILE A 51 8.223 5.232 -2.446 1.00 51.21 C ATOM 761 C ILE A 51 7.561 4.924 -1.090 1.00 14.44 C ATOM 762 O ILE A 51 8.163 5.140 -0.027 1.00 62.33 O ATOM 763 CB ILE A 51 9.450 4.279 -2.684 1.00 61.31 C ATOM 764 CG1 ILE A 51 10.197 4.645 -4.009 1.00 21.41 C ATOM 765 CG2 ILE A 51 9.023 2.792 -2.681 1.00 75.00 C ATOM 766 CD1 ILE A 51 9.372 4.517 -5.281 1.00 1.01 C ATOM 0 H ILE A 51 9.542 6.793 -2.015 1.00 73.14 H new ATOM 0 HA ILE A 51 7.503 5.062 -3.246 1.00 51.21 H new ATOM 0 HB ILE A 51 10.142 4.424 -1.855 1.00 61.31 H new ATOM 0 HG12 ILE A 51 10.557 5.671 -3.932 1.00 21.41 H new ATOM 0 HG13 ILE A 51 11.075 4.005 -4.100 1.00 21.41 H new ATOM 0 HG21 ILE A 51 9.897 2.162 -2.848 1.00 75.00 H new ATOM 0 HG22 ILE A 51 8.576 2.544 -1.718 1.00 75.00 H new ATOM 0 HG23 ILE A 51 8.295 2.621 -3.474 1.00 75.00 H new ATOM 0 HD11 ILE A 51 9.983 4.794 -6.140 1.00 1.01 H new ATOM 0 HD12 ILE A 51 9.033 3.487 -5.393 1.00 1.01 H new ATOM 0 HD13 ILE A 51 8.508 5.179 -5.222 1.00 1.01 H new ATOM 778 N VAL A 52 6.317 4.422 -1.154 1.00 3.42 N ATOM 779 CA VAL A 52 5.542 4.011 0.016 1.00 61.31 C ATOM 780 C VAL A 52 5.926 2.570 0.372 1.00 43.31 C ATOM 781 O VAL A 52 5.669 1.637 -0.396 1.00 0.22 O ATOM 782 CB VAL A 52 3.996 4.096 -0.247 1.00 63.02 C ATOM 783 CG1 VAL A 52 3.191 3.751 1.021 1.00 43.02 C ATOM 784 CG2 VAL A 52 3.601 5.483 -0.787 1.00 62.14 C ATOM 0 H VAL A 52 5.819 4.291 -2.035 1.00 3.42 H new ATOM 0 HA VAL A 52 5.770 4.688 0.839 1.00 61.31 H new ATOM 0 HB VAL A 52 3.751 3.355 -1.008 1.00 63.02 H new ATOM 0 HG11 VAL A 52 2.125 3.819 0.805 1.00 43.02 H new ATOM 0 HG12 VAL A 52 3.432 2.737 1.341 1.00 43.02 H new ATOM 0 HG13 VAL A 52 3.446 4.452 1.816 1.00 43.02 H new ATOM 0 HG21 VAL A 52 2.525 5.513 -0.960 1.00 62.14 H new ATOM 0 HG22 VAL A 52 3.873 6.248 -0.060 1.00 62.14 H new ATOM 0 HG23 VAL A 52 4.125 5.671 -1.724 1.00 62.14 H new ATOM 794 N GLN A 53 6.552 2.405 1.530 1.00 12.53 N ATOM 795 CA GLN A 53 7.063 1.110 1.992 1.00 50.45 C ATOM 796 C GLN A 53 5.990 0.396 2.820 1.00 24.30 C ATOM 797 O GLN A 53 5.578 0.895 3.872 1.00 10.15 O ATOM 798 CB GLN A 53 8.370 1.343 2.787 1.00 51.31 C ATOM 799 CG GLN A 53 9.550 1.754 1.877 1.00 21.52 C ATOM 800 CD GLN A 53 10.802 2.209 2.620 1.00 51.51 C ATOM 801 OE1 GLN A 53 11.063 1.808 3.759 1.00 43.22 O ATOM 802 NE2 GLN A 53 11.611 3.017 1.951 1.00 72.43 N ATOM 0 H GLN A 53 6.723 3.169 2.184 1.00 12.53 H new ATOM 0 HA GLN A 53 7.296 0.462 1.147 1.00 50.45 H new ATOM 0 HB2 GLN A 53 8.204 2.119 3.534 1.00 51.31 H new ATOM 0 HB3 GLN A 53 8.631 0.432 3.326 1.00 51.31 H new ATOM 0 HG2 GLN A 53 9.810 0.909 1.239 1.00 21.52 H new ATOM 0 HG3 GLN A 53 9.221 2.560 1.221 1.00 21.52 H new ATOM 0 HE21 GLN A 53 11.360 3.327 1.012 1.00 72.43 H new ATOM 0 HE22 GLN A 53 12.484 3.330 2.375 1.00 72.43 H new ATOM 811 N LEU A 54 5.523 -0.759 2.302 1.00 65.53 N ATOM 812 CA LEU A 54 4.433 -1.558 2.892 1.00 75.33 C ATOM 813 C LEU A 54 4.874 -3.015 3.055 1.00 51.12 C ATOM 814 O LEU A 54 5.477 -3.589 2.145 1.00 71.34 O ATOM 815 CB LEU A 54 3.166 -1.520 1.986 1.00 52.00 C ATOM 816 CG LEU A 54 2.580 -0.117 1.668 1.00 31.14 C ATOM 817 CD1 LEU A 54 1.305 -0.230 0.819 1.00 13.12 C ATOM 818 CD2 LEU A 54 2.312 0.679 2.953 1.00 21.32 C ATOM 0 H LEU A 54 5.900 -1.168 1.447 1.00 65.53 H new ATOM 0 HA LEU A 54 4.195 -1.129 3.865 1.00 75.33 H new ATOM 0 HB2 LEU A 54 3.407 -2.010 1.043 1.00 52.00 H new ATOM 0 HB3 LEU A 54 2.387 -2.114 2.464 1.00 52.00 H new ATOM 0 HG LEU A 54 3.325 0.427 1.087 1.00 31.14 H new ATOM 0 HD11 LEU A 54 0.916 0.767 0.612 1.00 13.12 H new ATOM 0 HD12 LEU A 54 1.537 -0.732 -0.120 1.00 13.12 H new ATOM 0 HD13 LEU A 54 0.556 -0.805 1.363 1.00 13.12 H new ATOM 0 HD21 LEU A 54 1.902 1.656 2.697 1.00 21.32 H new ATOM 0 HD22 LEU A 54 1.598 0.138 3.574 1.00 21.32 H new ATOM 0 HD23 LEU A 54 3.245 0.809 3.502 1.00 21.32 H new ATOM 830 N LYS A 55 4.542 -3.612 4.203 1.00 13.13 N ATOM 831 CA LYS A 55 4.748 -5.043 4.446 1.00 53.24 C ATOM 832 C LYS A 55 3.521 -5.815 3.939 1.00 1.02 C ATOM 833 O LYS A 55 2.386 -5.437 4.248 1.00 70.23 O ATOM 834 CB LYS A 55 4.965 -5.318 5.958 1.00 42.32 C ATOM 835 CG LYS A 55 5.156 -6.812 6.320 1.00 52.30 C ATOM 836 CD LYS A 55 5.365 -7.057 7.834 1.00 31.32 C ATOM 837 CE LYS A 55 5.462 -8.552 8.174 1.00 2.32 C ATOM 838 NZ LYS A 55 5.667 -8.796 9.632 1.00 63.13 N ATOM 0 H LYS A 55 4.123 -3.117 4.990 1.00 13.13 H new ATOM 0 HA LYS A 55 5.639 -5.373 3.913 1.00 53.24 H new ATOM 0 HB2 LYS A 55 5.840 -4.762 6.293 1.00 42.32 H new ATOM 0 HB3 LYS A 55 4.110 -4.930 6.511 1.00 42.32 H new ATOM 0 HG2 LYS A 55 4.283 -7.373 5.986 1.00 52.30 H new ATOM 0 HG3 LYS A 55 6.015 -7.203 5.774 1.00 52.30 H new ATOM 0 HD2 LYS A 55 6.275 -6.553 8.159 1.00 31.32 H new ATOM 0 HD3 LYS A 55 4.539 -6.613 8.389 1.00 31.32 H new ATOM 0 HE2 LYS A 55 4.551 -9.055 7.850 1.00 2.32 H new ATOM 0 HE3 LYS A 55 6.286 -8.995 7.616 1.00 2.32 H new ATOM 0 HZ1 LYS A 55 5.425 -9.782 9.856 1.00 63.13 H new ATOM 0 HZ2 LYS A 55 6.662 -8.619 9.877 1.00 63.13 H new ATOM 0 HZ3 LYS A 55 5.057 -8.157 10.180 1.00 63.13 H new ATOM 852 N LEU A 56 3.746 -6.874 3.149 1.00 40.41 N ATOM 853 CA LEU A 56 2.667 -7.782 2.704 1.00 12.33 C ATOM 854 C LEU A 56 2.748 -9.078 3.540 1.00 25.23 C ATOM 855 O LEU A 56 3.847 -9.544 3.857 1.00 50.30 O ATOM 856 CB LEU A 56 2.783 -8.101 1.184 1.00 14.11 C ATOM 857 CG LEU A 56 2.866 -6.883 0.202 1.00 55.54 C ATOM 858 CD1 LEU A 56 2.839 -7.352 -1.270 1.00 33.45 C ATOM 859 CD2 LEU A 56 1.764 -5.843 0.472 1.00 70.40 C ATOM 0 H LEU A 56 4.670 -7.128 2.800 1.00 40.41 H new ATOM 0 HA LEU A 56 1.702 -7.298 2.855 1.00 12.33 H new ATOM 0 HB2 LEU A 56 3.670 -8.717 1.035 1.00 14.11 H new ATOM 0 HB3 LEU A 56 1.923 -8.707 0.899 1.00 14.11 H new ATOM 0 HG LEU A 56 3.821 -6.391 0.385 1.00 55.54 H new ATOM 0 HD11 LEU A 56 2.898 -6.486 -1.929 1.00 33.45 H new ATOM 0 HD12 LEU A 56 3.688 -8.009 -1.458 1.00 33.45 H new ATOM 0 HD13 LEU A 56 1.912 -7.892 -1.463 1.00 33.45 H new ATOM 0 HD21 LEU A 56 1.862 -5.018 -0.233 1.00 70.40 H new ATOM 0 HD22 LEU A 56 0.786 -6.309 0.351 1.00 70.40 H new ATOM 0 HD23 LEU A 56 1.862 -5.465 1.490 1.00 70.40 H new ATOM 871 N GLN A 57 1.584 -9.659 3.876 1.00 22.54 N ATOM 872 CA GLN A 57 1.500 -10.905 4.683 1.00 54.13 C ATOM 873 C GLN A 57 1.384 -12.142 3.762 1.00 25.14 C ATOM 874 O GLN A 57 1.252 -12.004 2.538 1.00 75.43 O ATOM 875 CB GLN A 57 0.298 -10.849 5.657 1.00 63.42 C ATOM 876 CG GLN A 57 0.425 -9.850 6.833 1.00 12.42 C ATOM 877 CD GLN A 57 1.576 -10.165 7.809 1.00 12.55 C ATOM 878 OE1 GLN A 57 1.998 -11.314 7.955 1.00 74.24 O ATOM 879 NE2 GLN A 57 2.033 -9.167 8.555 1.00 50.00 N ATOM 0 H GLN A 57 0.675 -9.287 3.601 1.00 22.54 H new ATOM 0 HA GLN A 57 2.415 -10.991 5.269 1.00 54.13 H new ATOM 0 HB2 GLN A 57 -0.596 -10.596 5.086 1.00 63.42 H new ATOM 0 HB3 GLN A 57 0.142 -11.846 6.068 1.00 63.42 H new ATOM 0 HG2 GLN A 57 0.570 -8.848 6.430 1.00 12.42 H new ATOM 0 HG3 GLN A 57 -0.513 -9.838 7.387 1.00 12.42 H new ATOM 0 HE21 GLN A 57 1.672 -8.223 8.420 1.00 50.00 H new ATOM 0 HE22 GLN A 57 2.745 -9.344 9.263 1.00 50.00 H new ATOM 888 N GLY A 58 1.399 -13.344 4.381 1.00 3.12 N ATOM 889 CA GLY A 58 1.532 -14.618 3.658 1.00 5.33 C ATOM 890 C GLY A 58 0.238 -15.152 3.046 1.00 22.41 C ATOM 891 O GLY A 58 -0.268 -16.211 3.439 1.00 74.11 O ATOM 0 H GLY A 58 1.319 -13.452 5.392 1.00 3.12 H new ATOM 0 HA2 GLY A 58 2.267 -14.492 2.863 1.00 5.33 H new ATOM 0 HA3 GLY A 58 1.928 -15.367 4.343 1.00 5.33 H new ATOM 895 N SER A 59 -0.272 -14.405 2.064 1.00 30.24 N ATOM 896 CA SER A 59 -1.407 -14.803 1.215 1.00 74.11 C ATOM 897 C SER A 59 -1.194 -14.163 -0.166 1.00 5.00 C ATOM 898 O SER A 59 -1.207 -14.845 -1.190 1.00 5.35 O ATOM 899 CB SER A 59 -2.760 -14.370 1.838 1.00 52.03 C ATOM 900 OG SER A 59 -2.968 -14.974 3.108 1.00 40.05 O ATOM 0 H SER A 59 0.099 -13.484 1.828 1.00 30.24 H new ATOM 0 HA SER A 59 -1.449 -15.888 1.125 1.00 74.11 H new ATOM 0 HB2 SER A 59 -2.783 -13.285 1.942 1.00 52.03 H new ATOM 0 HB3 SER A 59 -3.574 -14.643 1.167 1.00 52.03 H new ATOM 0 HG SER A 59 -3.929 -15.095 3.259 1.00 40.05 H new ATOM 906 N CYS A 60 -0.961 -12.837 -0.163 1.00 51.55 N ATOM 907 CA CYS A 60 -0.541 -12.083 -1.355 1.00 50.04 C ATOM 908 C CYS A 60 0.893 -12.469 -1.739 1.00 14.14 C ATOM 909 O CYS A 60 1.220 -12.649 -2.921 1.00 33.43 O ATOM 910 CB CYS A 60 -0.622 -10.574 -1.052 1.00 2.14 C ATOM 911 SG CYS A 60 -2.231 -10.044 -0.435 1.00 23.14 S ATOM 0 H CYS A 60 -1.060 -12.258 0.671 1.00 51.55 H new ATOM 0 HA CYS A 60 -1.200 -12.320 -2.190 1.00 50.04 H new ATOM 0 HB2 CYS A 60 0.141 -10.319 -0.317 1.00 2.14 H new ATOM 0 HB3 CYS A 60 -0.389 -10.017 -1.960 1.00 2.14 H new ATOM 0 HG CYS A 60 -3.121 -10.951 -0.710 1.00 23.14 H new ATOM 917 N THR A 61 1.721 -12.625 -0.699 1.00 43.10 N ATOM 918 CA THR A 61 3.135 -12.948 -0.830 1.00 55.31 C ATOM 919 C THR A 61 3.352 -14.430 -1.235 1.00 65.41 C ATOM 920 O THR A 61 4.424 -14.796 -1.733 1.00 22.33 O ATOM 921 CB THR A 61 3.863 -12.614 0.504 1.00 33.53 C ATOM 922 OG1 THR A 61 3.479 -11.299 0.941 1.00 74.33 O ATOM 923 CG2 THR A 61 5.378 -12.659 0.351 1.00 70.24 C ATOM 0 H THR A 61 1.416 -12.528 0.270 1.00 43.10 H new ATOM 0 HA THR A 61 3.559 -12.343 -1.631 1.00 55.31 H new ATOM 0 HB THR A 61 3.572 -13.366 1.237 1.00 33.53 H new ATOM 0 HG1 THR A 61 2.684 -11.363 1.510 1.00 74.33 H new ATOM 0 HG21 THR A 61 5.847 -12.420 1.305 1.00 70.24 H new ATOM 0 HG22 THR A 61 5.682 -13.657 0.037 1.00 70.24 H new ATOM 0 HG23 THR A 61 5.690 -11.932 -0.399 1.00 70.24 H new ATOM 931 N SER A 62 2.303 -15.261 -1.069 1.00 23.32 N ATOM 932 CA SER A 62 2.345 -16.703 -1.381 1.00 42.23 C ATOM 933 C SER A 62 2.364 -16.991 -2.900 1.00 73.31 C ATOM 934 O SER A 62 2.593 -18.135 -3.315 1.00 63.10 O ATOM 935 CB SER A 62 1.148 -17.409 -0.705 1.00 34.12 C ATOM 936 OG SER A 62 1.156 -17.178 0.695 1.00 44.31 O ATOM 0 H SER A 62 1.399 -14.949 -0.713 1.00 23.32 H new ATOM 0 HA SER A 62 3.281 -17.098 -0.986 1.00 42.23 H new ATOM 0 HB2 SER A 62 0.215 -17.044 -1.134 1.00 34.12 H new ATOM 0 HB3 SER A 62 1.192 -18.480 -0.902 1.00 34.12 H new ATOM 0 HG SER A 62 0.390 -17.631 1.106 1.00 44.31 H new ATOM 942 N CYS A 63 2.133 -15.949 -3.719 1.00 33.23 N ATOM 943 CA CYS A 63 2.114 -16.057 -5.185 1.00 41.44 C ATOM 944 C CYS A 63 2.883 -14.856 -5.806 1.00 30.43 C ATOM 945 O CYS A 63 2.487 -13.707 -5.585 1.00 54.43 O ATOM 946 CB CYS A 63 0.651 -16.118 -5.663 1.00 2.40 C ATOM 947 SG CYS A 63 -0.271 -17.516 -4.979 1.00 70.13 S ATOM 0 H CYS A 63 1.954 -15.004 -3.378 1.00 33.23 H new ATOM 0 HA CYS A 63 2.615 -16.969 -5.510 1.00 41.44 H new ATOM 0 HB2 CYS A 63 0.148 -15.191 -5.388 1.00 2.40 H new ATOM 0 HB3 CYS A 63 0.634 -16.179 -6.751 1.00 2.40 H new ATOM 0 HG CYS A 63 -1.491 -17.493 -5.428 1.00 70.13 H new ATOM 953 N PRO A 64 3.999 -15.115 -6.578 1.00 63.43 N ATOM 954 CA PRO A 64 4.920 -14.055 -7.104 1.00 64.41 C ATOM 955 C PRO A 64 4.222 -12.903 -7.882 1.00 54.40 C ATOM 956 O PRO A 64 4.542 -11.726 -7.669 1.00 4.30 O ATOM 957 CB PRO A 64 5.883 -14.849 -8.024 1.00 42.35 C ATOM 958 CG PRO A 64 5.871 -16.245 -7.473 1.00 21.01 C ATOM 959 CD PRO A 64 4.459 -16.478 -6.983 1.00 51.23 C ATOM 0 HA PRO A 64 5.408 -13.527 -6.284 1.00 64.41 H new ATOM 0 HB2 PRO A 64 5.547 -14.829 -9.061 1.00 42.35 H new ATOM 0 HB3 PRO A 64 6.887 -14.425 -8.007 1.00 42.35 H new ATOM 0 HG2 PRO A 64 6.145 -16.971 -8.239 1.00 21.01 H new ATOM 0 HG3 PRO A 64 6.590 -16.352 -6.661 1.00 21.01 H new ATOM 0 HD2 PRO A 64 3.827 -16.898 -7.765 1.00 51.23 H new ATOM 0 HD3 PRO A 64 4.435 -17.175 -6.145 1.00 51.23 H new ATOM 967 N SER A 65 3.274 -13.255 -8.778 1.00 0.31 N ATOM 968 CA SER A 65 2.565 -12.260 -9.614 1.00 21.13 C ATOM 969 C SER A 65 1.555 -11.458 -8.775 1.00 30.31 C ATOM 970 O SER A 65 1.377 -10.257 -9.002 1.00 65.13 O ATOM 971 CB SER A 65 1.862 -12.934 -10.819 1.00 54.32 C ATOM 972 OG SER A 65 1.289 -11.973 -11.697 1.00 12.34 O ATOM 0 H SER A 65 2.982 -14.219 -8.941 1.00 0.31 H new ATOM 0 HA SER A 65 3.310 -11.568 -10.006 1.00 21.13 H new ATOM 0 HB2 SER A 65 2.581 -13.544 -11.366 1.00 54.32 H new ATOM 0 HB3 SER A 65 1.084 -13.606 -10.457 1.00 54.32 H new ATOM 0 HG SER A 65 0.855 -12.432 -12.446 1.00 12.34 H new ATOM 978 N SER A 66 0.921 -12.131 -7.787 1.00 53.45 N ATOM 979 CA SER A 66 -0.060 -11.499 -6.879 1.00 71.32 C ATOM 980 C SER A 66 0.591 -10.402 -6.002 1.00 42.32 C ATOM 981 O SER A 66 -0.077 -9.429 -5.630 1.00 4.32 O ATOM 982 CB SER A 66 -0.740 -12.567 -6.001 1.00 43.51 C ATOM 983 OG SER A 66 -1.345 -13.569 -6.807 1.00 41.32 O ATOM 0 H SER A 66 1.075 -13.122 -7.599 1.00 53.45 H new ATOM 0 HA SER A 66 -0.817 -11.014 -7.494 1.00 71.32 H new ATOM 0 HB2 SER A 66 -0.004 -13.022 -5.338 1.00 43.51 H new ATOM 0 HB3 SER A 66 -1.493 -12.099 -5.368 1.00 43.51 H new ATOM 0 HG SER A 66 -1.770 -14.239 -6.232 1.00 41.32 H new ATOM 989 N ILE A 67 1.893 -10.588 -5.679 1.00 71.34 N ATOM 990 CA ILE A 67 2.732 -9.567 -5.008 1.00 71.15 C ATOM 991 C ILE A 67 2.781 -8.278 -5.853 1.00 31.33 C ATOM 992 O ILE A 67 2.435 -7.192 -5.377 1.00 54.31 O ATOM 993 CB ILE A 67 4.214 -10.079 -4.797 1.00 50.13 C ATOM 994 CG1 ILE A 67 4.244 -11.386 -3.948 1.00 62.32 C ATOM 995 CG2 ILE A 67 5.110 -8.982 -4.165 1.00 62.35 C ATOM 996 CD1 ILE A 67 5.624 -12.006 -3.754 1.00 31.54 C ATOM 0 H ILE A 67 2.393 -11.455 -5.878 1.00 71.34 H new ATOM 0 HA ILE A 67 2.281 -9.369 -4.036 1.00 71.15 H new ATOM 0 HB ILE A 67 4.622 -10.310 -5.781 1.00 50.13 H new ATOM 0 HG12 ILE A 67 3.819 -11.172 -2.967 1.00 62.32 H new ATOM 0 HG13 ILE A 67 3.596 -12.123 -4.423 1.00 62.32 H new ATOM 0 HG21 ILE A 67 6.121 -9.368 -4.034 1.00 62.35 H new ATOM 0 HG22 ILE A 67 5.136 -8.111 -4.820 1.00 62.35 H new ATOM 0 HG23 ILE A 67 4.704 -8.694 -3.195 1.00 62.35 H new ATOM 0 HD11 ILE A 67 5.535 -12.909 -3.150 1.00 31.54 H new ATOM 0 HD12 ILE A 67 6.049 -12.259 -4.725 1.00 31.54 H new ATOM 0 HD13 ILE A 67 6.275 -11.294 -3.247 1.00 31.54 H new ATOM 1008 N ILE A 68 3.199 -8.454 -7.123 1.00 23.41 N ATOM 1009 CA ILE A 68 3.399 -7.358 -8.087 1.00 32.53 C ATOM 1010 C ILE A 68 2.068 -6.622 -8.348 1.00 1.24 C ATOM 1011 O ILE A 68 2.026 -5.392 -8.340 1.00 2.40 O ATOM 1012 CB ILE A 68 4.004 -7.902 -9.443 1.00 34.25 C ATOM 1013 CG1 ILE A 68 5.331 -8.693 -9.179 1.00 65.32 C ATOM 1014 CG2 ILE A 68 4.231 -6.757 -10.462 1.00 33.50 C ATOM 1015 CD1 ILE A 68 5.975 -9.297 -10.419 1.00 72.34 C ATOM 0 H ILE A 68 3.409 -9.374 -7.511 1.00 23.41 H new ATOM 0 HA ILE A 68 4.110 -6.652 -7.657 1.00 32.53 H new ATOM 0 HB ILE A 68 3.279 -8.589 -9.880 1.00 34.25 H new ATOM 0 HG12 ILE A 68 6.048 -8.023 -8.705 1.00 65.32 H new ATOM 0 HG13 ILE A 68 5.125 -9.493 -8.468 1.00 65.32 H new ATOM 0 HG21 ILE A 68 4.648 -7.166 -11.382 1.00 33.50 H new ATOM 0 HG22 ILE A 68 3.281 -6.269 -10.679 1.00 33.50 H new ATOM 0 HG23 ILE A 68 4.925 -6.029 -10.042 1.00 33.50 H new ATOM 0 HD11 ILE A 68 6.886 -9.824 -10.136 1.00 72.34 H new ATOM 0 HD12 ILE A 68 5.281 -9.997 -10.885 1.00 72.34 H new ATOM 0 HD13 ILE A 68 6.219 -8.504 -11.125 1.00 72.34 H new ATOM 1027 N THR A 69 0.983 -7.410 -8.503 1.00 42.34 N ATOM 1028 CA THR A 69 -0.354 -6.893 -8.824 1.00 13.23 C ATOM 1029 C THR A 69 -0.924 -6.065 -7.657 1.00 43.44 C ATOM 1030 O THR A 69 -1.474 -4.985 -7.884 1.00 32.53 O ATOM 1031 CB THR A 69 -1.329 -8.058 -9.190 1.00 10.35 C ATOM 1032 OG1 THR A 69 -0.779 -8.807 -10.292 1.00 72.24 O ATOM 1033 CG2 THR A 69 -2.739 -7.559 -9.569 1.00 22.10 C ATOM 0 H THR A 69 1.015 -8.425 -8.408 1.00 42.34 H new ATOM 0 HA THR A 69 -0.256 -6.239 -9.691 1.00 13.23 H new ATOM 0 HB THR A 69 -1.434 -8.685 -8.305 1.00 10.35 H new ATOM 0 HG1 THR A 69 -0.025 -9.348 -9.976 1.00 72.24 H new ATOM 0 HG21 THR A 69 -3.373 -8.411 -9.814 1.00 22.10 H new ATOM 0 HG22 THR A 69 -3.170 -7.015 -8.729 1.00 22.10 H new ATOM 0 HG23 THR A 69 -2.671 -6.898 -10.433 1.00 22.10 H new ATOM 1041 N LEU A 70 -0.761 -6.570 -6.411 1.00 54.23 N ATOM 1042 CA LEU A 70 -1.247 -5.871 -5.205 1.00 63.55 C ATOM 1043 C LEU A 70 -0.488 -4.552 -5.023 1.00 11.13 C ATOM 1044 O LEU A 70 -1.104 -3.505 -4.851 1.00 22.42 O ATOM 1045 CB LEU A 70 -1.103 -6.747 -3.929 1.00 41.02 C ATOM 1046 CG LEU A 70 -1.620 -6.090 -2.601 1.00 51.11 C ATOM 1047 CD1 LEU A 70 -3.125 -5.761 -2.681 1.00 23.53 C ATOM 1048 CD2 LEU A 70 -1.304 -6.960 -1.372 1.00 61.21 C ATOM 0 H LEU A 70 -0.297 -7.458 -6.218 1.00 54.23 H new ATOM 0 HA LEU A 70 -2.308 -5.667 -5.347 1.00 63.55 H new ATOM 0 HB2 LEU A 70 -1.643 -7.681 -4.087 1.00 41.02 H new ATOM 0 HB3 LEU A 70 -0.051 -7.004 -3.802 1.00 41.02 H new ATOM 0 HG LEU A 70 -1.082 -5.150 -2.480 1.00 51.11 H new ATOM 0 HD11 LEU A 70 -3.449 -5.307 -1.744 1.00 23.53 H new ATOM 0 HD12 LEU A 70 -3.302 -5.065 -3.501 1.00 23.53 H new ATOM 0 HD13 LEU A 70 -3.689 -6.677 -2.854 1.00 23.53 H new ATOM 0 HD21 LEU A 70 -1.678 -6.470 -0.473 1.00 61.21 H new ATOM 0 HD22 LEU A 70 -1.784 -7.933 -1.482 1.00 61.21 H new ATOM 0 HD23 LEU A 70 -0.226 -7.095 -1.289 1.00 61.21 H new ATOM 1060 N LYS A 71 0.856 -4.638 -5.102 1.00 35.11 N ATOM 1061 CA LYS A 71 1.765 -3.483 -4.980 1.00 74.32 C ATOM 1062 C LYS A 71 1.403 -2.392 -6.007 1.00 2.22 C ATOM 1063 O LYS A 71 1.367 -1.216 -5.663 1.00 24.51 O ATOM 1064 CB LYS A 71 3.245 -3.970 -5.133 1.00 52.30 C ATOM 1065 CG LYS A 71 4.357 -2.868 -5.081 1.00 41.52 C ATOM 1066 CD LYS A 71 4.721 -2.258 -6.460 1.00 1.21 C ATOM 1067 CE LYS A 71 5.415 -3.260 -7.395 1.00 0.34 C ATOM 1068 NZ LYS A 71 6.741 -3.688 -6.863 1.00 4.15 N ATOM 0 H LYS A 71 1.344 -5.521 -5.254 1.00 35.11 H new ATOM 0 HA LYS A 71 1.655 -3.033 -3.993 1.00 74.32 H new ATOM 0 HB2 LYS A 71 3.448 -4.695 -4.345 1.00 52.30 H new ATOM 0 HB3 LYS A 71 3.333 -4.498 -6.083 1.00 52.30 H new ATOM 0 HG2 LYS A 71 4.027 -2.067 -4.419 1.00 41.52 H new ATOM 0 HG3 LYS A 71 5.256 -3.297 -4.639 1.00 41.52 H new ATOM 0 HD2 LYS A 71 3.814 -1.890 -6.939 1.00 1.21 H new ATOM 0 HD3 LYS A 71 5.373 -1.398 -6.310 1.00 1.21 H new ATOM 0 HE2 LYS A 71 4.778 -4.134 -7.528 1.00 0.34 H new ATOM 0 HE3 LYS A 71 5.547 -2.808 -8.378 1.00 0.34 H new ATOM 0 HZ1 LYS A 71 7.243 -4.241 -7.587 1.00 4.15 H new ATOM 0 HZ2 LYS A 71 7.303 -2.849 -6.616 1.00 4.15 H new ATOM 0 HZ3 LYS A 71 6.602 -4.274 -6.015 1.00 4.15 H new ATOM 1082 N ASN A 72 1.120 -2.817 -7.257 1.00 0.42 N ATOM 1083 CA ASN A 72 0.784 -1.906 -8.376 1.00 52.33 C ATOM 1084 C ASN A 72 -0.627 -1.320 -8.233 1.00 21.32 C ATOM 1085 O ASN A 72 -0.852 -0.183 -8.620 1.00 43.11 O ATOM 1086 CB ASN A 72 0.930 -2.619 -9.753 1.00 11.33 C ATOM 1087 CG ASN A 72 2.384 -2.887 -10.168 1.00 12.22 C ATOM 1088 OD1 ASN A 72 3.306 -2.162 -9.790 1.00 71.23 O ATOM 1089 ND2 ASN A 72 2.597 -3.924 -10.964 1.00 72.01 N ATOM 0 H ASN A 72 1.118 -3.802 -7.521 1.00 0.42 H new ATOM 0 HA ASN A 72 1.498 -1.083 -8.334 1.00 52.33 H new ATOM 0 HB2 ASN A 72 0.393 -3.567 -9.718 1.00 11.33 H new ATOM 0 HB3 ASN A 72 0.451 -2.009 -10.519 1.00 11.33 H new ATOM 0 HD21 ASN A 72 3.543 -4.139 -11.279 1.00 72.01 H new ATOM 0 HD22 ASN A 72 1.815 -4.508 -11.262 1.00 72.01 H new ATOM 1096 N GLY A 73 -1.566 -2.107 -7.689 1.00 25.30 N ATOM 1097 CA GLY A 73 -2.939 -1.640 -7.453 1.00 62.44 C ATOM 1098 C GLY A 73 -2.998 -0.529 -6.405 1.00 53.13 C ATOM 1099 O GLY A 73 -3.662 0.500 -6.601 1.00 2.45 O ATOM 0 H GLY A 73 -1.399 -3.072 -7.404 1.00 25.30 H new ATOM 0 HA2 GLY A 73 -3.364 -1.277 -8.389 1.00 62.44 H new ATOM 0 HA3 GLY A 73 -3.555 -2.478 -7.127 1.00 62.44 H new ATOM 1103 N ILE A 74 -2.253 -0.750 -5.307 1.00 54.45 N ATOM 1104 CA ILE A 74 -2.067 0.227 -4.223 1.00 72.44 C ATOM 1105 C ILE A 74 -1.323 1.465 -4.759 1.00 54.41 C ATOM 1106 O ILE A 74 -1.668 2.597 -4.432 1.00 42.43 O ATOM 1107 CB ILE A 74 -1.235 -0.402 -3.042 1.00 1.22 C ATOM 1108 CG1 ILE A 74 -1.937 -1.667 -2.457 1.00 3.13 C ATOM 1109 CG2 ILE A 74 -0.969 0.635 -1.932 1.00 44.52 C ATOM 1110 CD1 ILE A 74 -1.094 -2.448 -1.454 1.00 5.31 C ATOM 0 H ILE A 74 -1.756 -1.626 -5.147 1.00 54.45 H new ATOM 0 HA ILE A 74 -3.050 0.516 -3.850 1.00 72.44 H new ATOM 0 HB ILE A 74 -0.275 -0.713 -3.453 1.00 1.22 H new ATOM 0 HG12 ILE A 74 -2.865 -1.362 -1.974 1.00 3.13 H new ATOM 0 HG13 ILE A 74 -2.209 -2.330 -3.279 1.00 3.13 H new ATOM 0 HG21 ILE A 74 -0.393 0.171 -1.131 1.00 44.52 H new ATOM 0 HG22 ILE A 74 -0.407 1.473 -2.344 1.00 44.52 H new ATOM 0 HG23 ILE A 74 -1.918 0.994 -1.535 1.00 44.52 H new ATOM 0 HD11 ILE A 74 -1.658 -3.310 -1.098 1.00 5.31 H new ATOM 0 HD12 ILE A 74 -0.177 -2.788 -1.936 1.00 5.31 H new ATOM 0 HD13 ILE A 74 -0.844 -1.805 -0.610 1.00 5.31 H new ATOM 1122 N GLN A 75 -0.306 1.197 -5.595 1.00 62.53 N ATOM 1123 CA GLN A 75 0.540 2.220 -6.225 1.00 64.11 C ATOM 1124 C GLN A 75 -0.315 3.162 -7.077 1.00 10.33 C ATOM 1125 O GLN A 75 -0.242 4.367 -6.911 1.00 14.24 O ATOM 1126 CB GLN A 75 1.643 1.517 -7.061 1.00 11.31 C ATOM 1127 CG GLN A 75 2.726 2.420 -7.674 1.00 11.11 C ATOM 1128 CD GLN A 75 3.886 1.631 -8.314 1.00 1.05 C ATOM 1129 OE1 GLN A 75 5.035 2.074 -8.309 1.00 43.21 O ATOM 1130 NE2 GLN A 75 3.599 0.469 -8.892 1.00 62.02 N ATOM 0 H GLN A 75 -0.046 0.246 -5.855 1.00 62.53 H new ATOM 0 HA GLN A 75 1.024 2.831 -5.463 1.00 64.11 H new ATOM 0 HB2 GLN A 75 2.134 0.780 -6.425 1.00 11.31 H new ATOM 0 HB3 GLN A 75 1.160 0.969 -7.870 1.00 11.31 H new ATOM 0 HG2 GLN A 75 2.271 3.060 -8.429 1.00 11.11 H new ATOM 0 HG3 GLN A 75 3.125 3.075 -6.899 1.00 11.11 H new ATOM 0 HE21 GLN A 75 2.641 0.119 -8.885 1.00 62.02 H new ATOM 0 HE22 GLN A 75 4.337 -0.073 -9.342 1.00 62.02 H new ATOM 1139 N ASN A 76 -1.191 2.574 -7.907 1.00 53.01 N ATOM 1140 CA ASN A 76 -2.096 3.321 -8.796 1.00 43.32 C ATOM 1141 C ASN A 76 -3.110 4.156 -7.985 1.00 71.30 C ATOM 1142 O ASN A 76 -3.432 5.277 -8.374 1.00 24.21 O ATOM 1143 CB ASN A 76 -2.830 2.346 -9.760 1.00 22.31 C ATOM 1144 CG ASN A 76 -1.913 1.715 -10.820 1.00 73.41 C ATOM 1145 OD1 ASN A 76 -0.966 2.343 -11.304 1.00 32.32 O ATOM 1146 ND2 ASN A 76 -2.184 0.467 -11.186 1.00 65.35 N ATOM 0 H ASN A 76 -1.292 1.562 -7.981 1.00 53.01 H new ATOM 0 HA ASN A 76 -1.497 4.012 -9.389 1.00 43.32 H new ATOM 0 HB2 ASN A 76 -3.294 1.552 -9.175 1.00 22.31 H new ATOM 0 HB3 ASN A 76 -3.634 2.883 -10.262 1.00 22.31 H new ATOM 0 HD21 ASN A 76 -1.603 0.003 -11.884 1.00 65.35 H new ATOM 0 HD22 ASN A 76 -2.973 -0.027 -10.769 1.00 65.35 H new ATOM 1153 N MET A 77 -3.590 3.600 -6.852 1.00 22.12 N ATOM 1154 CA MET A 77 -4.548 4.297 -5.961 1.00 25.44 C ATOM 1155 C MET A 77 -3.889 5.536 -5.321 1.00 10.13 C ATOM 1156 O MET A 77 -4.397 6.656 -5.435 1.00 23.32 O ATOM 1157 CB MET A 77 -5.062 3.350 -4.843 1.00 31.22 C ATOM 1158 CG MET A 77 -6.179 3.956 -3.969 1.00 42.35 C ATOM 1159 SD MET A 77 -6.460 3.061 -2.427 1.00 12.31 S ATOM 1160 CE MET A 77 -4.954 3.435 -1.521 1.00 60.45 C ATOM 0 H MET A 77 -3.330 2.668 -6.530 1.00 22.12 H new ATOM 0 HA MET A 77 -5.395 4.613 -6.570 1.00 25.44 H new ATOM 0 HB2 MET A 77 -5.431 2.432 -5.300 1.00 31.22 H new ATOM 0 HB3 MET A 77 -4.224 3.073 -4.203 1.00 31.22 H new ATOM 0 HG2 MET A 77 -5.926 4.991 -3.737 1.00 42.35 H new ATOM 0 HG3 MET A 77 -7.106 3.975 -4.542 1.00 42.35 H new ATOM 0 HE1 MET A 77 -5.113 3.250 -0.459 1.00 60.45 H new ATOM 0 HE2 MET A 77 -4.145 2.801 -1.883 1.00 60.45 H new ATOM 0 HE3 MET A 77 -4.689 4.482 -1.671 1.00 60.45 H new ATOM 1170 N LEU A 78 -2.735 5.302 -4.677 1.00 62.54 N ATOM 1171 CA LEU A 78 -1.975 6.336 -3.958 1.00 64.25 C ATOM 1172 C LEU A 78 -1.422 7.410 -4.917 1.00 52.01 C ATOM 1173 O LEU A 78 -1.284 8.558 -4.523 1.00 72.34 O ATOM 1174 CB LEU A 78 -0.825 5.678 -3.142 1.00 3.14 C ATOM 1175 CG LEU A 78 -1.247 4.777 -1.938 1.00 63.41 C ATOM 1176 CD1 LEU A 78 -0.016 4.117 -1.285 1.00 12.22 C ATOM 1177 CD2 LEU A 78 -2.058 5.580 -0.899 1.00 0.31 C ATOM 0 H LEU A 78 -2.299 4.381 -4.641 1.00 62.54 H new ATOM 0 HA LEU A 78 -2.656 6.839 -3.271 1.00 64.25 H new ATOM 0 HB2 LEU A 78 -0.225 5.076 -3.824 1.00 3.14 H new ATOM 0 HB3 LEU A 78 -0.179 6.470 -2.764 1.00 3.14 H new ATOM 0 HG LEU A 78 -1.890 3.985 -2.324 1.00 63.41 H new ATOM 0 HD11 LEU A 78 -0.337 3.495 -0.449 1.00 12.22 H new ATOM 0 HD12 LEU A 78 0.499 3.499 -2.021 1.00 12.22 H new ATOM 0 HD13 LEU A 78 0.662 4.890 -0.923 1.00 12.22 H new ATOM 0 HD21 LEU A 78 -2.338 4.927 -0.072 1.00 0.31 H new ATOM 0 HD22 LEU A 78 -1.452 6.403 -0.522 1.00 0.31 H new ATOM 0 HD23 LEU A 78 -2.958 5.978 -1.368 1.00 0.31 H new ATOM 1189 N GLN A 79 -1.117 7.021 -6.172 1.00 22.14 N ATOM 1190 CA GLN A 79 -0.669 7.967 -7.222 1.00 62.55 C ATOM 1191 C GLN A 79 -1.850 8.805 -7.743 1.00 65.20 C ATOM 1192 O GLN A 79 -1.680 9.987 -8.069 1.00 2.24 O ATOM 1193 CB GLN A 79 0.016 7.218 -8.402 1.00 32.13 C ATOM 1194 CG GLN A 79 1.422 6.664 -8.088 1.00 42.44 C ATOM 1195 CD GLN A 79 1.997 5.784 -9.203 1.00 42.02 C ATOM 1196 OE1 GLN A 79 1.262 5.109 -9.930 1.00 42.35 O ATOM 1197 NE2 GLN A 79 3.313 5.773 -9.342 1.00 51.13 N ATOM 0 H GLN A 79 -1.173 6.052 -6.487 1.00 22.14 H new ATOM 0 HA GLN A 79 0.063 8.636 -6.770 1.00 62.55 H new ATOM 0 HB2 GLN A 79 -0.624 6.391 -8.710 1.00 32.13 H new ATOM 0 HB3 GLN A 79 0.090 7.897 -9.251 1.00 32.13 H new ATOM 0 HG2 GLN A 79 2.100 7.498 -7.908 1.00 42.44 H new ATOM 0 HG3 GLN A 79 1.378 6.085 -7.166 1.00 42.44 H new ATOM 0 HE21 GLN A 79 3.896 6.341 -8.727 1.00 51.13 H new ATOM 0 HE22 GLN A 79 3.745 5.197 -10.064 1.00 51.13 H new ATOM 1206 N PHE A 80 -3.046 8.179 -7.812 1.00 22.12 N ATOM 1207 CA PHE A 80 -4.274 8.821 -8.329 1.00 22.24 C ATOM 1208 C PHE A 80 -4.643 10.037 -7.467 1.00 71.53 C ATOM 1209 O PHE A 80 -4.966 11.111 -7.990 1.00 13.24 O ATOM 1210 CB PHE A 80 -5.449 7.799 -8.362 1.00 22.54 C ATOM 1211 CG PHE A 80 -6.775 8.350 -8.892 1.00 22.22 C ATOM 1212 CD1 PHE A 80 -6.935 8.634 -10.249 1.00 65.35 C ATOM 1213 CD2 PHE A 80 -7.858 8.578 -8.041 1.00 14.45 C ATOM 1214 CE1 PHE A 80 -8.131 9.132 -10.734 1.00 33.11 C ATOM 1215 CE2 PHE A 80 -9.052 9.078 -8.526 1.00 14.21 C ATOM 1216 CZ PHE A 80 -9.191 9.351 -9.873 1.00 54.31 C ATOM 0 H PHE A 80 -3.186 7.215 -7.511 1.00 22.12 H new ATOM 0 HA PHE A 80 -4.086 9.162 -9.347 1.00 22.24 H new ATOM 0 HB2 PHE A 80 -5.154 6.950 -8.978 1.00 22.54 H new ATOM 0 HB3 PHE A 80 -5.609 7.420 -7.353 1.00 22.54 H new ATOM 0 HD1 PHE A 80 -6.114 8.463 -10.930 1.00 65.35 H new ATOM 0 HD2 PHE A 80 -7.761 8.360 -6.988 1.00 14.45 H new ATOM 0 HE1 PHE A 80 -8.237 9.350 -11.786 1.00 33.11 H new ATOM 0 HE2 PHE A 80 -9.877 9.255 -7.851 1.00 14.21 H new ATOM 0 HZ PHE A 80 -10.126 9.735 -10.253 1.00 54.31 H new ATOM 1226 N TYR A 81 -4.586 9.851 -6.141 1.00 33.25 N ATOM 1227 CA TYR A 81 -4.910 10.905 -5.172 1.00 52.10 C ATOM 1228 C TYR A 81 -3.679 11.794 -4.901 1.00 32.01 C ATOM 1229 O TYR A 81 -3.706 13.006 -5.147 1.00 31.25 O ATOM 1230 CB TYR A 81 -5.444 10.267 -3.863 1.00 62.33 C ATOM 1231 CG TYR A 81 -6.721 9.432 -4.075 1.00 21.25 C ATOM 1232 CD1 TYR A 81 -7.919 10.040 -4.465 1.00 5.51 C ATOM 1233 CD2 TYR A 81 -6.724 8.042 -3.920 1.00 54.43 C ATOM 1234 CE1 TYR A 81 -9.062 9.298 -4.685 1.00 24.14 C ATOM 1235 CE2 TYR A 81 -7.867 7.301 -4.137 1.00 1.32 C ATOM 1236 CZ TYR A 81 -9.030 7.931 -4.523 1.00 35.34 C ATOM 1237 OH TYR A 81 -10.170 7.189 -4.751 1.00 64.51 O ATOM 0 H TYR A 81 -4.314 8.967 -5.711 1.00 33.25 H new ATOM 0 HA TYR A 81 -5.689 11.544 -5.587 1.00 52.10 H new ATOM 0 HB2 TYR A 81 -4.669 9.632 -3.433 1.00 62.33 H new ATOM 0 HB3 TYR A 81 -5.649 11.055 -3.139 1.00 62.33 H new ATOM 0 HD1 TYR A 81 -7.950 11.111 -4.597 1.00 5.51 H new ATOM 0 HD2 TYR A 81 -5.815 7.540 -3.625 1.00 54.43 H new ATOM 0 HE1 TYR A 81 -9.977 9.788 -4.983 1.00 24.14 H new ATOM 0 HE2 TYR A 81 -7.850 6.229 -4.005 1.00 1.32 H new ATOM 0 HH TYR A 81 -10.123 6.782 -5.641 1.00 64.51 H new ATOM 1247 N ILE A 82 -2.600 11.160 -4.423 1.00 64.43 N ATOM 1248 CA ILE A 82 -1.378 11.846 -3.953 1.00 75.35 C ATOM 1249 C ILE A 82 -0.304 11.862 -5.073 1.00 2.34 C ATOM 1250 O ILE A 82 0.096 10.797 -5.554 1.00 15.14 O ATOM 1251 CB ILE A 82 -0.812 11.115 -2.676 1.00 21.22 C ATOM 1252 CG1 ILE A 82 -1.938 10.926 -1.604 1.00 54.55 C ATOM 1253 CG2 ILE A 82 0.407 11.868 -2.093 1.00 33.33 C ATOM 1254 CD1 ILE A 82 -1.580 9.997 -0.458 1.00 21.15 C ATOM 0 H ILE A 82 -2.545 10.144 -4.349 1.00 64.43 H new ATOM 0 HA ILE A 82 -1.630 12.875 -3.695 1.00 75.35 H new ATOM 0 HB ILE A 82 -0.466 10.126 -2.976 1.00 21.22 H new ATOM 0 HG12 ILE A 82 -2.197 11.902 -1.194 1.00 54.55 H new ATOM 0 HG13 ILE A 82 -2.830 10.542 -2.099 1.00 54.55 H new ATOM 0 HG21 ILE A 82 0.775 11.339 -1.213 1.00 33.33 H new ATOM 0 HG22 ILE A 82 1.197 11.918 -2.843 1.00 33.33 H new ATOM 0 HG23 ILE A 82 0.110 12.878 -1.811 1.00 33.33 H new ATOM 0 HD11 ILE A 82 -2.421 9.930 0.232 1.00 21.15 H new ATOM 0 HD12 ILE A 82 -1.352 9.006 -0.851 1.00 21.15 H new ATOM 0 HD13 ILE A 82 -0.709 10.388 0.069 1.00 21.15 H new ATOM 1266 N PRO A 83 0.187 13.065 -5.506 1.00 11.02 N ATOM 1267 CA PRO A 83 1.245 13.170 -6.540 1.00 32.33 C ATOM 1268 C PRO A 83 2.648 12.817 -5.995 1.00 32.25 C ATOM 1269 O PRO A 83 3.548 12.471 -6.768 1.00 32.05 O ATOM 1270 CB PRO A 83 1.145 14.651 -6.983 1.00 42.12 C ATOM 1271 CG PRO A 83 0.667 15.376 -5.760 1.00 11.54 C ATOM 1272 CD PRO A 83 -0.262 14.412 -5.041 1.00 73.12 C ATOM 0 HA PRO A 83 1.106 12.465 -7.360 1.00 32.33 H new ATOM 0 HB2 PRO A 83 2.110 15.031 -7.318 1.00 42.12 H new ATOM 0 HB3 PRO A 83 0.449 14.771 -7.813 1.00 42.12 H new ATOM 0 HG2 PRO A 83 1.504 15.661 -5.122 1.00 11.54 H new ATOM 0 HG3 PRO A 83 0.145 16.294 -6.029 1.00 11.54 H new ATOM 0 HD2 PRO A 83 -0.178 14.509 -3.959 1.00 73.12 H new ATOM 0 HD3 PRO A 83 -1.305 14.596 -5.298 1.00 73.12 H new ATOM 1280 N GLU A 84 2.813 12.890 -4.658 1.00 70.23 N ATOM 1281 CA GLU A 84 4.106 12.650 -3.982 1.00 41.42 C ATOM 1282 C GLU A 84 4.526 11.175 -4.035 1.00 53.42 C ATOM 1283 O GLU A 84 5.718 10.861 -3.939 1.00 40.32 O ATOM 1284 CB GLU A 84 4.034 13.142 -2.514 1.00 32.44 C ATOM 1285 CG GLU A 84 3.595 14.615 -2.371 1.00 2.34 C ATOM 1286 CD GLU A 84 4.400 15.575 -3.273 1.00 31.22 C ATOM 1287 OE1 GLU A 84 5.615 15.736 -3.045 1.00 32.14 O ATOM 1288 OE2 GLU A 84 3.826 16.142 -4.228 1.00 63.23 O ATOM 0 H GLU A 84 2.054 13.117 -4.016 1.00 70.23 H new ATOM 0 HA GLU A 84 4.868 13.217 -4.518 1.00 41.42 H new ATOM 0 HB2 GLU A 84 3.338 12.510 -1.963 1.00 32.44 H new ATOM 0 HB3 GLU A 84 5.013 13.018 -2.051 1.00 32.44 H new ATOM 0 HG2 GLU A 84 2.536 14.698 -2.615 1.00 2.34 H new ATOM 0 HG3 GLU A 84 3.707 14.922 -1.331 1.00 2.34 H new ATOM 1295 N VAL A 85 3.539 10.280 -4.167 1.00 32.14 N ATOM 1296 CA VAL A 85 3.783 8.849 -4.337 1.00 62.53 C ATOM 1297 C VAL A 85 4.320 8.584 -5.754 1.00 1.05 C ATOM 1298 O VAL A 85 3.559 8.563 -6.718 1.00 54.02 O ATOM 1299 CB VAL A 85 2.478 8.014 -4.065 1.00 34.12 C ATOM 1300 CG1 VAL A 85 2.713 6.498 -4.292 1.00 61.22 C ATOM 1301 CG2 VAL A 85 1.938 8.297 -2.641 1.00 34.12 C ATOM 0 H VAL A 85 2.550 10.531 -4.158 1.00 32.14 H new ATOM 0 HA VAL A 85 4.529 8.531 -3.609 1.00 62.53 H new ATOM 0 HB VAL A 85 1.721 8.330 -4.783 1.00 34.12 H new ATOM 0 HG11 VAL A 85 1.790 5.953 -4.095 1.00 61.22 H new ATOM 0 HG12 VAL A 85 3.021 6.328 -5.324 1.00 61.22 H new ATOM 0 HG13 VAL A 85 3.493 6.146 -3.617 1.00 61.22 H new ATOM 0 HG21 VAL A 85 1.035 7.711 -2.471 1.00 34.12 H new ATOM 0 HG22 VAL A 85 2.693 8.022 -1.904 1.00 34.12 H new ATOM 0 HG23 VAL A 85 1.705 9.357 -2.544 1.00 34.12 H new ATOM 1311 N GLU A 86 5.651 8.488 -5.863 1.00 32.40 N ATOM 1312 CA GLU A 86 6.329 8.044 -7.092 1.00 31.11 C ATOM 1313 C GLU A 86 6.077 6.547 -7.322 1.00 31.45 C ATOM 1314 O GLU A 86 5.982 6.087 -8.467 1.00 75.22 O ATOM 1315 CB GLU A 86 7.851 8.302 -6.990 1.00 31.45 C ATOM 1316 CG GLU A 86 8.244 9.778 -6.773 1.00 4.24 C ATOM 1317 CD GLU A 86 9.765 9.974 -6.721 1.00 64.50 C ATOM 1318 OE1 GLU A 86 10.414 9.347 -5.859 1.00 3.23 O ATOM 1319 OE2 GLU A 86 10.321 10.736 -7.545 1.00 20.23 O ATOM 0 H GLU A 86 6.291 8.716 -5.102 1.00 32.40 H new ATOM 0 HA GLU A 86 5.927 8.611 -7.932 1.00 31.11 H new ATOM 0 HB2 GLU A 86 8.251 7.709 -6.167 1.00 31.45 H new ATOM 0 HB3 GLU A 86 8.328 7.944 -7.902 1.00 31.45 H new ATOM 0 HG2 GLU A 86 7.829 10.384 -7.578 1.00 4.24 H new ATOM 0 HG3 GLU A 86 7.802 10.137 -5.844 1.00 4.24 H new ATOM 1326 N GLY A 87 5.982 5.793 -6.209 1.00 74.41 N ATOM 1327 CA GLY A 87 5.732 4.359 -6.270 1.00 31.00 C ATOM 1328 C GLY A 87 5.477 3.731 -4.909 1.00 22.43 C ATOM 1329 O GLY A 87 5.361 4.435 -3.908 1.00 62.41 O ATOM 0 H GLY A 87 6.076 6.163 -5.263 1.00 74.41 H new ATOM 0 HA2 GLY A 87 4.872 4.175 -6.914 1.00 31.00 H new ATOM 0 HA3 GLY A 87 6.588 3.868 -6.734 1.00 31.00 H new ATOM 1333 N VAL A 88 5.370 2.388 -4.898 1.00 13.15 N ATOM 1334 CA VAL A 88 5.209 1.556 -3.677 1.00 74.51 C ATOM 1335 C VAL A 88 6.212 0.380 -3.753 1.00 14.03 C ATOM 1336 O VAL A 88 6.555 -0.067 -4.855 1.00 25.24 O ATOM 1337 CB VAL A 88 3.718 1.016 -3.537 1.00 2.43 C ATOM 1338 CG1 VAL A 88 3.556 -0.004 -2.384 1.00 53.25 C ATOM 1339 CG2 VAL A 88 2.715 2.179 -3.356 1.00 63.33 C ATOM 0 H VAL A 88 5.393 1.834 -5.754 1.00 13.15 H new ATOM 0 HA VAL A 88 5.412 2.164 -2.795 1.00 74.51 H new ATOM 0 HB VAL A 88 3.497 0.495 -4.469 1.00 2.43 H new ATOM 0 HG11 VAL A 88 2.519 -0.338 -2.336 1.00 53.25 H new ATOM 0 HG12 VAL A 88 4.205 -0.861 -2.563 1.00 53.25 H new ATOM 0 HG13 VAL A 88 3.829 0.468 -1.440 1.00 53.25 H new ATOM 0 HG21 VAL A 88 1.706 1.778 -3.263 1.00 63.33 H new ATOM 0 HG22 VAL A 88 2.967 2.740 -2.456 1.00 63.33 H new ATOM 0 HG23 VAL A 88 2.765 2.840 -4.221 1.00 63.33 H new ATOM 1349 N GLU A 89 6.698 -0.102 -2.589 1.00 71.53 N ATOM 1350 CA GLU A 89 7.613 -1.259 -2.506 1.00 62.42 C ATOM 1351 C GLU A 89 7.190 -2.195 -1.354 1.00 53.45 C ATOM 1352 O GLU A 89 6.608 -1.745 -0.361 1.00 34.21 O ATOM 1353 CB GLU A 89 9.084 -0.782 -2.311 1.00 2.23 C ATOM 1354 CG GLU A 89 10.142 -1.912 -2.346 1.00 41.22 C ATOM 1355 CD GLU A 89 10.148 -2.711 -3.669 1.00 71.05 C ATOM 1356 OE1 GLU A 89 10.583 -2.161 -4.705 1.00 71.01 O ATOM 1357 OE2 GLU A 89 9.691 -3.883 -3.683 1.00 35.40 O ATOM 0 H GLU A 89 6.467 0.301 -1.681 1.00 71.53 H new ATOM 0 HA GLU A 89 7.555 -1.814 -3.443 1.00 62.42 H new ATOM 0 HB2 GLU A 89 9.322 -0.056 -3.089 1.00 2.23 H new ATOM 0 HB3 GLU A 89 9.159 -0.262 -1.356 1.00 2.23 H new ATOM 0 HG2 GLU A 89 11.130 -1.479 -2.188 1.00 41.22 H new ATOM 0 HG3 GLU A 89 9.958 -2.597 -1.518 1.00 41.22 H new ATOM 1364 N GLN A 90 7.481 -3.497 -1.516 1.00 32.21 N ATOM 1365 CA GLN A 90 7.249 -4.526 -0.497 1.00 62.04 C ATOM 1366 C GLN A 90 8.478 -4.631 0.435 1.00 64.54 C ATOM 1367 O GLN A 90 9.585 -4.944 -0.024 1.00 64.42 O ATOM 1368 CB GLN A 90 6.983 -5.890 -1.189 1.00 23.24 C ATOM 1369 CG GLN A 90 6.673 -7.065 -0.230 1.00 75.35 C ATOM 1370 CD GLN A 90 6.662 -8.438 -0.914 1.00 50.31 C ATOM 1371 OE1 GLN A 90 7.398 -8.677 -1.870 1.00 54.34 O ATOM 1372 NE2 GLN A 90 5.828 -9.351 -0.435 1.00 32.30 N ATOM 0 H GLN A 90 7.891 -3.866 -2.374 1.00 32.21 H new ATOM 0 HA GLN A 90 6.379 -4.254 0.101 1.00 62.04 H new ATOM 0 HB2 GLN A 90 6.146 -5.773 -1.877 1.00 23.24 H new ATOM 0 HB3 GLN A 90 7.855 -6.151 -1.789 1.00 23.24 H new ATOM 0 HG2 GLN A 90 7.414 -7.074 0.569 1.00 75.35 H new ATOM 0 HG3 GLN A 90 5.703 -6.894 0.236 1.00 75.35 H new ATOM 0 HE21 GLN A 90 5.228 -9.127 0.359 1.00 32.30 H new ATOM 0 HE22 GLN A 90 5.786 -10.277 -0.861 1.00 32.30 H new ATOM 1381 N VAL A 91 8.276 -4.353 1.730 1.00 1.21 N ATOM 1382 CA VAL A 91 9.319 -4.479 2.766 1.00 1.42 C ATOM 1383 C VAL A 91 8.842 -5.470 3.852 1.00 43.23 C ATOM 1384 O VAL A 91 7.940 -5.178 4.639 1.00 55.34 O ATOM 1385 CB VAL A 91 9.690 -3.071 3.383 1.00 42.30 C ATOM 1386 CG1 VAL A 91 10.573 -2.236 2.415 1.00 53.42 C ATOM 1387 CG2 VAL A 91 8.430 -2.267 3.764 1.00 54.32 C ATOM 0 H VAL A 91 7.379 -4.032 2.094 1.00 1.21 H new ATOM 0 HA VAL A 91 10.229 -4.869 2.311 1.00 1.42 H new ATOM 0 HB VAL A 91 10.262 -3.270 4.289 1.00 42.30 H new ATOM 0 HG11 VAL A 91 10.807 -1.275 2.874 1.00 53.42 H new ATOM 0 HG12 VAL A 91 11.498 -2.775 2.209 1.00 53.42 H new ATOM 0 HG13 VAL A 91 10.034 -2.071 1.482 1.00 53.42 H new ATOM 0 HG21 VAL A 91 8.725 -1.306 4.184 1.00 54.32 H new ATOM 0 HG22 VAL A 91 7.821 -2.103 2.875 1.00 54.32 H new ATOM 0 HG23 VAL A 91 7.852 -2.824 4.502 1.00 54.32 H new ATOM 1397 N MET A 92 9.461 -6.658 3.870 1.00 14.03 N ATOM 1398 CA MET A 92 9.045 -7.782 4.728 1.00 51.54 C ATOM 1399 C MET A 92 10.032 -7.985 5.887 1.00 13.43 C ATOM 1400 O MET A 92 11.017 -8.714 5.756 1.00 72.10 O ATOM 1401 CB MET A 92 8.922 -9.087 3.888 1.00 32.34 C ATOM 1402 CG MET A 92 7.842 -9.075 2.806 1.00 13.13 C ATOM 1403 SD MET A 92 7.871 -10.577 1.800 1.00 62.04 S ATOM 1404 CE MET A 92 7.693 -11.868 3.043 1.00 61.20 C ATOM 0 H MET A 92 10.270 -6.870 3.287 1.00 14.03 H new ATOM 0 HA MET A 92 8.070 -7.542 5.151 1.00 51.54 H new ATOM 0 HB2 MET A 92 9.884 -9.285 3.415 1.00 32.34 H new ATOM 0 HB3 MET A 92 8.723 -9.917 4.566 1.00 32.34 H new ATOM 0 HG2 MET A 92 6.863 -8.971 3.273 1.00 13.13 H new ATOM 0 HG3 MET A 92 7.983 -8.206 2.163 1.00 13.13 H new ATOM 0 HE1 MET A 92 7.553 -12.830 2.551 1.00 61.20 H new ATOM 0 HE2 MET A 92 8.590 -11.904 3.661 1.00 61.20 H new ATOM 0 HE3 MET A 92 6.828 -11.652 3.670 1.00 61.20 H new ATOM 1414 N ASP A 93 9.787 -7.286 7.000 1.00 64.13 N ATOM 1415 CA ASP A 93 10.488 -7.522 8.276 1.00 41.12 C ATOM 1416 C ASP A 93 9.607 -8.440 9.143 1.00 13.33 C ATOM 1417 O ASP A 93 8.421 -8.161 9.348 1.00 34.13 O ATOM 1418 CB ASP A 93 10.791 -6.184 9.009 1.00 72.52 C ATOM 1419 CG ASP A 93 9.531 -5.381 9.387 1.00 40.13 C ATOM 1420 OD1 ASP A 93 8.845 -4.885 8.470 1.00 4.25 O ATOM 1421 OD2 ASP A 93 9.206 -5.255 10.594 1.00 21.13 O ATOM 0 H ASP A 93 9.096 -6.537 7.046 1.00 64.13 H new ATOM 0 HA ASP A 93 11.449 -8.000 8.085 1.00 41.12 H new ATOM 0 HB2 ASP A 93 11.359 -6.397 9.914 1.00 72.52 H new ATOM 0 HB3 ASP A 93 11.426 -5.568 8.372 1.00 72.52 H new ATOM 1426 N ASP A 94 10.181 -9.549 9.616 1.00 3.53 N ATOM 1427 CA ASP A 94 9.458 -10.544 10.425 1.00 51.12 C ATOM 1428 C ASP A 94 10.472 -11.299 11.282 1.00 63.23 C ATOM 1429 O ASP A 94 10.477 -11.175 12.513 1.00 73.44 O ATOM 1430 CB ASP A 94 8.644 -11.501 9.514 1.00 35.14 C ATOM 1431 CG ASP A 94 7.797 -12.499 10.316 1.00 74.45 C ATOM 1432 OD1 ASP A 94 6.803 -12.068 10.933 1.00 22.23 O ATOM 1433 OD2 ASP A 94 8.118 -13.705 10.341 1.00 45.43 O ATOM 0 H ASP A 94 11.159 -9.786 9.451 1.00 3.53 H new ATOM 0 HA ASP A 94 8.741 -10.049 11.080 1.00 51.12 H new ATOM 0 HB2 ASP A 94 7.992 -10.914 8.867 1.00 35.14 H new ATOM 0 HB3 ASP A 94 9.328 -12.049 8.865 1.00 35.14 H new ATOM 1438 N GLU A 95 11.341 -12.068 10.624 1.00 52.40 N ATOM 1439 CA GLU A 95 12.531 -12.640 11.264 1.00 12.22 C ATOM 1440 C GLU A 95 13.596 -11.549 11.403 1.00 25.15 C ATOM 1441 O GLU A 95 14.378 -11.551 12.365 1.00 73.10 O ATOM 1442 CB GLU A 95 13.073 -13.828 10.439 1.00 12.24 C ATOM 1443 CG GLU A 95 12.096 -15.006 10.314 1.00 71.22 C ATOM 1444 CD GLU A 95 11.665 -15.588 11.673 1.00 34.02 C ATOM 1445 OE1 GLU A 95 12.492 -16.254 12.335 1.00 64.21 O ATOM 1446 OE2 GLU A 95 10.512 -15.366 12.098 1.00 35.00 O ATOM 0 H GLU A 95 11.243 -12.312 9.638 1.00 52.40 H new ATOM 0 HA GLU A 95 12.266 -13.015 12.253 1.00 12.22 H new ATOM 0 HB2 GLU A 95 13.329 -13.475 9.440 1.00 12.24 H new ATOM 0 HB3 GLU A 95 13.996 -14.183 10.898 1.00 12.24 H new ATOM 0 HG2 GLU A 95 11.210 -14.678 9.770 1.00 71.22 H new ATOM 0 HG3 GLU A 95 12.561 -15.793 9.721 1.00 71.22 H new ATOM 1453 N SER A 96 13.606 -10.621 10.409 1.00 51.44 N ATOM 1454 CA SER A 96 14.498 -9.446 10.385 1.00 44.44 C ATOM 1455 C SER A 96 15.983 -9.882 10.389 1.00 24.52 C ATOM 1456 O SER A 96 16.867 -9.158 10.861 1.00 71.30 O ATOM 1457 CB SER A 96 14.149 -8.504 11.576 1.00 52.42 C ATOM 1458 OG SER A 96 12.768 -8.138 11.558 1.00 12.32 O ATOM 0 H SER A 96 12.988 -10.674 9.599 1.00 51.44 H new ATOM 0 HA SER A 96 14.344 -8.888 9.462 1.00 44.44 H new ATOM 0 HB2 SER A 96 14.384 -9.001 12.517 1.00 52.42 H new ATOM 0 HB3 SER A 96 14.766 -7.607 11.527 1.00 52.42 H new ATOM 0 HG SER A 96 12.576 -7.548 12.317 1.00 12.32 H new ATOM 1464 N ASP A 97 16.239 -11.050 9.775 1.00 45.45 N ATOM 1465 CA ASP A 97 17.507 -11.775 9.890 1.00 51.45 C ATOM 1466 C ASP A 97 18.007 -12.175 8.484 1.00 32.42 C ATOM 1467 O ASP A 97 17.394 -13.065 7.857 1.00 34.12 O ATOM 1468 CB ASP A 97 17.294 -13.006 10.813 1.00 52.33 C ATOM 1469 CG ASP A 97 18.568 -13.825 11.039 1.00 4.41 C ATOM 1470 OD1 ASP A 97 19.486 -13.319 11.720 1.00 64.32 O ATOM 1471 OD2 ASP A 97 18.656 -14.976 10.549 1.00 53.23 O ATOM 1472 OXT ASP A 97 18.995 -11.582 7.999 1.00 38.00 O ATOM 0 H ASP A 97 15.559 -11.520 9.178 1.00 45.45 H new ATOM 0 HA ASP A 97 18.276 -11.145 10.337 1.00 51.45 H new ATOM 0 HB2 ASP A 97 16.913 -12.667 11.776 1.00 52.33 H new ATOM 0 HB3 ASP A 97 16.530 -13.650 10.377 1.00 52.33 H new TER 1477 ASP A 97