USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 737 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 82 SER OG : rot 57:sc= 0.476 USER MOD Set 1.2: A 87 THR OG1 : rot -20:sc= 1.5 USER MOD Set 2.1: A 73 ASN : amide:sc= 1.32 K(o=3.5,f=0.85!) USER MOD Set 2.2: A 75 TYR OH : rot -127:sc= 2.16 USER MOD Single : A 1 MET CE :methyl 173:sc= -0.777 (180deg=-0.804) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.429 X(o=-0.43,f=-0.39) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc=-0.00029 X(o=-0.00029,f=-0.00029) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 18 GLN : amide:sc= -1.28 K(o=-1.3,f=-3.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 70:sc= 0.57 USER MOD Single : A 31 TYR OH : rot -130:sc= -0.456 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0672 (180deg=-0.405) USER MOD Single : A 37 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0659) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -140:sc= -0.522 USER MOD Single : A 47 LYS NZ :NH3+ -171:sc=-0.000705 (180deg=-0.0906) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.89! C(o=-0.89!,f=-1.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 64 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.58) USER MOD Single : A 69 TYR OH : rot 178:sc= -2.13 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 85 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 89 GLN : amide:sc= 0.141 X(o=0.14,f=-0.0033) USER MOD Single : A 91 ASN : amide:sc=-0.000499 X(o=-0.0005,f=-0.0005) USER MOD Single : A 96 THR OG1 : rot -56:sc= -0.428 USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.16) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.103 -0.274 3.038 1.00 1.09 N ATOM 2 CA MET A 1 17.042 -0.849 3.897 1.00 0.39 C ATOM 3 C MET A 1 15.718 -0.148 3.610 1.00 0.30 C ATOM 4 O MET A 1 15.644 1.082 3.616 1.00 0.45 O ATOM 5 CB MET A 1 17.435 -0.710 5.375 1.00 1.38 C ATOM 6 CG MET A 1 16.518 -1.447 6.343 1.00 2.13 C ATOM 7 SD MET A 1 15.026 -0.523 6.755 1.00 3.23 S ATOM 8 CE MET A 1 15.709 0.820 7.725 1.00 3.75 C ATOM 0 H1 MET A 1 19.006 -0.752 3.234 1.00 1.09 H new ATOM 0 H2 MET A 1 17.850 -0.408 2.038 1.00 1.09 H new ATOM 0 H3 MET A 1 18.199 0.742 3.238 1.00 1.09 H new ATOM 0 HA MET A 1 16.924 -1.910 3.677 1.00 0.39 H new ATOM 0 HB2 MET A 1 18.452 -1.080 5.504 1.00 1.38 H new ATOM 0 HB3 MET A 1 17.445 0.348 5.638 1.00 1.38 H new ATOM 0 HG2 MET A 1 16.235 -2.405 5.907 1.00 2.13 H new ATOM 0 HG3 MET A 1 17.067 -1.664 7.259 1.00 2.13 H new ATOM 0 HE1 MET A 1 14.925 1.544 7.947 1.00 3.75 H new ATOM 0 HE2 MET A 1 16.114 0.426 8.657 1.00 3.75 H new ATOM 0 HE3 MET A 1 16.504 1.308 7.161 1.00 3.75 H new ATOM 20 N VAL A 2 14.681 -0.932 3.347 1.00 0.15 N ATOM 21 CA VAL A 2 13.404 -0.384 2.915 1.00 0.10 C ATOM 22 C VAL A 2 12.383 -0.352 4.063 1.00 0.09 C ATOM 23 O VAL A 2 12.437 -1.161 4.985 1.00 0.12 O ATOM 24 CB VAL A 2 12.817 -1.184 1.722 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.606 -0.483 1.171 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.841 -1.374 0.620 1.00 0.09 C ATOM 0 H VAL A 2 14.700 -1.949 3.425 1.00 0.15 H new ATOM 0 HA VAL A 2 13.598 0.639 2.592 1.00 0.10 H new ATOM 0 HB VAL A 2 12.532 -2.168 2.095 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.204 -1.055 0.335 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.849 -0.398 1.950 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.887 0.513 0.828 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.394 -1.938 -0.199 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.167 -0.400 0.254 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.699 -1.920 1.011 1.00 0.09 H new ATOM 36 N GLN A 3 11.469 0.606 3.983 1.00 0.09 N ATOM 37 CA GLN A 3 10.374 0.781 4.925 1.00 0.10 C ATOM 38 C GLN A 3 9.073 0.603 4.175 1.00 0.11 C ATOM 39 O GLN A 3 9.069 0.582 2.948 1.00 0.17 O ATOM 40 CB GLN A 3 10.391 2.190 5.520 1.00 0.16 C ATOM 41 CG GLN A 3 11.461 2.446 6.546 1.00 0.79 C ATOM 42 CD GLN A 3 11.434 1.451 7.693 1.00 1.14 C ATOM 43 OE1 GLN A 3 10.744 1.660 8.694 1.00 1.37 O ATOM 44 NE2 GLN A 3 12.178 0.365 7.561 1.00 2.03 N ATOM 0 H GLN A 3 11.470 1.303 3.238 1.00 0.09 H new ATOM 0 HA GLN A 3 10.477 0.053 5.729 1.00 0.10 H new ATOM 0 HB2 GLN A 3 10.511 2.907 4.708 1.00 0.16 H new ATOM 0 HB3 GLN A 3 9.420 2.385 5.976 1.00 0.16 H new ATOM 0 HG2 GLN A 3 12.437 2.408 6.062 1.00 0.79 H new ATOM 0 HG3 GLN A 3 11.342 3.454 6.944 1.00 0.79 H new ATOM 0 HE21 GLN A 3 12.735 0.228 6.718 1.00 2.03 H new ATOM 0 HE22 GLN A 3 12.194 -0.335 8.303 1.00 2.03 H new ATOM 53 N CYS A 4 7.974 0.477 4.888 1.00 0.12 N ATOM 54 CA CYS A 4 6.702 0.342 4.221 1.00 0.13 C ATOM 55 C CYS A 4 5.566 0.883 5.072 1.00 0.17 C ATOM 56 O CYS A 4 5.580 0.788 6.300 1.00 0.29 O ATOM 57 CB CYS A 4 6.461 -1.117 3.849 1.00 0.17 C ATOM 58 SG CYS A 4 5.629 -2.102 5.132 1.00 0.30 S ATOM 0 H CYS A 4 7.936 0.465 5.907 1.00 0.12 H new ATOM 0 HA CYS A 4 6.730 0.937 3.308 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.862 -1.151 2.939 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.419 -1.582 3.618 1.00 0.17 H new ATOM 63 N GLU A 5 4.605 1.462 4.382 1.00 0.14 N ATOM 64 CA GLU A 5 3.400 2.015 4.958 1.00 0.16 C ATOM 65 C GLU A 5 2.229 1.593 4.099 1.00 0.15 C ATOM 66 O GLU A 5 2.422 0.941 3.074 1.00 0.17 O ATOM 67 CB GLU A 5 3.473 3.522 5.025 1.00 0.24 C ATOM 68 CG GLU A 5 4.394 4.011 6.112 1.00 0.33 C ATOM 69 CD GLU A 5 3.954 3.581 7.500 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.061 4.227 8.084 1.00 1.39 O ATOM 71 OE2 GLU A 5 4.501 2.585 8.017 1.00 1.87 O ATOM 0 H GLU A 5 4.645 1.563 3.368 1.00 0.14 H new ATOM 0 HA GLU A 5 3.281 1.644 5.976 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.814 3.908 4.064 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.474 3.923 5.193 1.00 0.24 H new ATOM 0 HG2 GLU A 5 5.400 3.637 5.924 1.00 0.33 H new ATOM 0 HG3 GLU A 5 4.446 5.099 6.074 1.00 0.33 H new ATOM 78 N VAL A 6 1.028 1.938 4.507 1.00 0.17 N ATOM 79 CA VAL A 6 -0.153 1.541 3.768 1.00 0.18 C ATOM 80 C VAL A 6 -1.166 2.666 3.651 1.00 0.21 C ATOM 81 O VAL A 6 -1.758 3.108 4.638 1.00 0.33 O ATOM 82 CB VAL A 6 -0.796 0.320 4.406 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.165 -0.939 3.845 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.633 0.382 5.916 1.00 0.20 C ATOM 0 H VAL A 6 0.842 2.491 5.344 1.00 0.17 H new ATOM 0 HA VAL A 6 0.172 1.290 2.758 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.862 0.305 4.177 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.627 -1.813 4.304 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.317 -0.972 2.766 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.903 -0.938 4.061 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.096 -0.495 6.368 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.428 0.403 6.167 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.114 1.283 6.297 1.00 0.20 H new ATOM 94 N GLU A 7 -1.354 3.111 2.422 1.00 0.16 N ATOM 95 CA GLU A 7 -2.179 4.261 2.115 1.00 0.16 C ATOM 96 C GLU A 7 -3.437 3.870 1.377 1.00 0.16 C ATOM 97 O GLU A 7 -3.532 2.804 0.774 1.00 0.28 O ATOM 98 CB GLU A 7 -1.417 5.231 1.222 1.00 0.26 C ATOM 99 CG GLU A 7 -0.300 6.022 1.884 1.00 0.24 C ATOM 100 CD GLU A 7 0.517 5.254 2.902 1.00 1.05 C ATOM 101 OE1 GLU A 7 1.230 4.312 2.515 1.00 2.01 O ATOM 102 OE2 GLU A 7 0.464 5.616 4.099 1.00 1.11 O ATOM 0 H GLU A 7 -0.932 2.678 1.601 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.441 4.720 3.068 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -0.992 4.668 0.391 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -2.130 5.937 0.797 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.370 6.392 1.108 1.00 0.24 H new ATOM 0 HG3 GLU A 7 -0.734 6.894 2.373 1.00 0.24 H new ATOM 109 N ALA A 8 -4.385 4.770 1.429 1.00 0.14 N ATOM 110 CA ALA A 8 -5.584 4.689 0.634 1.00 0.12 C ATOM 111 C ALA A 8 -5.916 6.099 0.158 1.00 0.15 C ATOM 112 O ALA A 8 -6.064 7.010 0.975 1.00 0.17 O ATOM 113 CB ALA A 8 -6.707 4.112 1.464 1.00 0.13 C ATOM 0 H ALA A 8 -4.346 5.591 2.033 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.443 4.035 -0.227 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.612 4.052 0.860 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.432 3.114 1.805 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.888 4.753 2.327 1.00 0.13 H new ATOM 119 N ALA A 9 -6.028 6.284 -1.141 1.00 0.16 N ATOM 120 CA ALA A 9 -6.174 7.612 -1.714 1.00 0.19 C ATOM 121 C ALA A 9 -7.537 7.782 -2.358 1.00 0.19 C ATOM 122 O ALA A 9 -7.792 7.258 -3.437 1.00 0.20 O ATOM 123 CB ALA A 9 -5.074 7.855 -2.735 1.00 0.22 C ATOM 0 H ALA A 9 -6.021 5.528 -1.826 1.00 0.16 H new ATOM 0 HA ALA A 9 -6.089 8.345 -0.912 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -5.187 8.852 -3.162 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -4.102 7.777 -2.248 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -5.143 7.111 -3.528 1.00 0.22 H new ATOM 129 N VAL A 10 -8.408 8.524 -1.704 1.00 0.22 N ATOM 130 CA VAL A 10 -9.759 8.695 -2.202 1.00 0.23 C ATOM 131 C VAL A 10 -9.828 9.772 -3.274 1.00 0.27 C ATOM 132 O VAL A 10 -9.419 10.913 -3.061 1.00 0.33 O ATOM 133 CB VAL A 10 -10.752 9.040 -1.081 1.00 0.25 C ATOM 134 CG1 VAL A 10 -12.133 9.298 -1.665 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.800 7.921 -0.052 1.00 0.27 C ATOM 0 H VAL A 10 -8.207 9.015 -0.833 1.00 0.22 H new ATOM 0 HA VAL A 10 -10.042 7.736 -2.636 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.416 9.948 -0.580 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.828 9.541 -0.862 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -12.082 10.131 -2.366 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.480 8.406 -2.187 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.508 8.181 0.735 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -11.117 6.996 -0.534 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.810 7.783 0.382 1.00 0.27 H new ATOM 145 N SER A 11 -10.339 9.388 -4.425 1.00 0.29 N ATOM 146 CA SER A 11 -10.627 10.317 -5.492 1.00 0.36 C ATOM 147 C SER A 11 -12.128 10.315 -5.754 1.00 0.45 C ATOM 148 O SER A 11 -12.863 9.569 -5.103 1.00 0.63 O ATOM 149 CB SER A 11 -9.855 9.935 -6.749 1.00 0.45 C ATOM 150 OG SER A 11 -8.482 9.721 -6.459 1.00 1.22 O ATOM 0 H SER A 11 -10.566 8.418 -4.645 1.00 0.29 H new ATOM 0 HA SER A 11 -10.314 11.320 -5.203 1.00 0.36 H new ATOM 0 HB2 SER A 11 -10.284 9.031 -7.182 1.00 0.45 H new ATOM 0 HB3 SER A 11 -9.954 10.724 -7.494 1.00 0.45 H new ATOM 0 HG SER A 11 -8.008 9.475 -7.281 1.00 1.22 H new ATOM 156 N GLY A 12 -12.579 11.148 -6.682 1.00 0.45 N ATOM 157 CA GLY A 12 -13.998 11.252 -6.972 1.00 0.54 C ATOM 158 C GLY A 12 -14.628 9.928 -7.375 1.00 0.49 C ATOM 159 O GLY A 12 -14.503 9.493 -8.521 1.00 0.61 O ATOM 0 H GLY A 12 -11.984 11.758 -7.243 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.514 11.639 -6.093 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -14.146 11.976 -7.774 1.00 0.54 H new ATOM 163 N GLY A 13 -15.279 9.276 -6.418 1.00 0.45 N ATOM 164 CA GLY A 13 -15.995 8.047 -6.697 1.00 0.48 C ATOM 165 C GLY A 13 -15.106 6.817 -6.706 1.00 0.41 C ATOM 166 O GLY A 13 -15.600 5.690 -6.738 1.00 0.45 O ATOM 0 H GLY A 13 -15.323 9.581 -5.446 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.778 7.914 -5.950 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.489 8.135 -7.664 1.00 0.48 H new ATOM 170 N HIS A 14 -13.799 7.017 -6.666 1.00 0.34 N ATOM 171 CA HIS A 14 -12.861 5.905 -6.752 1.00 0.31 C ATOM 172 C HIS A 14 -11.755 6.069 -5.723 1.00 0.30 C ATOM 173 O HIS A 14 -11.173 7.138 -5.600 1.00 0.43 O ATOM 174 CB HIS A 14 -12.249 5.810 -8.156 1.00 0.34 C ATOM 175 CG HIS A 14 -13.245 5.533 -9.243 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.604 4.260 -9.635 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.962 6.379 -10.024 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.497 4.336 -10.605 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.730 5.607 -10.857 1.00 1.82 N ATOM 0 H HIS A 14 -13.363 7.934 -6.575 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.410 4.986 -6.549 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.734 6.744 -8.380 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.496 5.022 -8.159 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.933 7.458 -9.995 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.958 3.498 -11.106 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.379 5.961 -11.560 1.00 1.82 H new ATOM 188 N VAL A 15 -11.464 5.011 -4.993 1.00 0.23 N ATOM 189 CA VAL A 15 -10.418 5.058 -3.990 1.00 0.20 C ATOM 190 C VAL A 15 -9.201 4.275 -4.477 1.00 0.18 C ATOM 191 O VAL A 15 -9.276 3.081 -4.739 1.00 0.17 O ATOM 192 CB VAL A 15 -10.911 4.533 -2.610 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.525 3.141 -2.708 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.781 4.547 -1.590 1.00 0.17 C ATOM 0 H VAL A 15 -11.935 4.110 -5.075 1.00 0.23 H new ATOM 0 HA VAL A 15 -10.133 6.100 -3.843 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.696 5.211 -2.274 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.854 2.818 -1.720 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.379 3.167 -3.384 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.781 2.441 -3.090 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -10.150 4.176 -0.634 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.969 3.909 -1.938 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.415 5.566 -1.467 1.00 0.17 H new ATOM 204 N THR A 16 -8.090 4.968 -4.621 1.00 0.17 N ATOM 205 CA THR A 16 -6.867 4.368 -5.117 1.00 0.16 C ATOM 206 C THR A 16 -5.987 3.962 -3.950 1.00 0.14 C ATOM 207 O THR A 16 -5.540 4.801 -3.184 1.00 0.15 O ATOM 208 CB THR A 16 -6.109 5.366 -6.010 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.921 5.713 -7.137 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.776 4.793 -6.472 1.00 0.19 C ATOM 0 H THR A 16 -8.009 5.960 -4.398 1.00 0.17 H new ATOM 0 HA THR A 16 -7.121 3.487 -5.706 1.00 0.16 H new ATOM 0 HB THR A 16 -5.898 6.262 -5.426 1.00 0.20 H new ATOM 0 HG1 THR A 16 -6.438 6.350 -7.704 1.00 0.24 H new ATOM 0 HG21 THR A 16 -4.265 5.522 -7.101 1.00 0.19 H new ATOM 0 HG22 THR A 16 -4.157 4.566 -5.604 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.950 3.881 -7.042 1.00 0.19 H new ATOM 218 N LEU A 17 -5.730 2.684 -3.819 1.00 0.12 N ATOM 219 CA LEU A 17 -5.041 2.188 -2.653 1.00 0.10 C ATOM 220 C LEU A 17 -3.643 1.697 -3.012 1.00 0.13 C ATOM 221 O LEU A 17 -3.463 1.021 -4.022 1.00 0.17 O ATOM 222 CB LEU A 17 -5.862 1.084 -2.027 1.00 0.11 C ATOM 223 CG LEU A 17 -5.863 1.095 -0.512 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.262 0.861 0.009 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.893 0.065 0.021 1.00 0.11 C ATOM 0 H LEU A 17 -5.986 1.971 -4.502 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.922 2.998 -1.933 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.890 1.165 -2.381 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.481 0.123 -2.372 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.534 2.073 -0.161 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.251 0.871 1.099 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.922 1.649 -0.354 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.624 -0.106 -0.341 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.904 0.084 1.111 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.186 -0.925 -0.328 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.888 0.293 -0.335 1.00 0.11 H new ATOM 237 N GLN A 18 -2.662 2.070 -2.193 1.00 0.15 N ATOM 238 CA GLN A 18 -1.266 1.711 -2.414 1.00 0.19 C ATOM 239 C GLN A 18 -0.465 1.926 -1.129 1.00 0.24 C ATOM 240 O GLN A 18 -0.828 2.760 -0.311 1.00 0.51 O ATOM 241 CB GLN A 18 -0.680 2.545 -3.556 1.00 0.32 C ATOM 242 CG GLN A 18 -1.121 4.003 -3.552 1.00 0.78 C ATOM 243 CD GLN A 18 -0.559 4.793 -4.717 1.00 1.03 C ATOM 244 OE1 GLN A 18 -0.295 4.248 -5.787 1.00 1.58 O ATOM 245 NE2 GLN A 18 -0.366 6.087 -4.517 1.00 1.77 N ATOM 0 H GLN A 18 -2.815 2.631 -1.355 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.209 0.658 -2.692 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.408 2.506 -3.499 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -0.966 2.093 -4.506 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.210 4.048 -3.581 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -0.807 4.470 -2.618 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -0.597 6.504 -3.615 1.00 1.77 H new ATOM 0 HE22 GLN A 18 0.014 6.668 -5.265 1.00 1.77 H new ATOM 254 N GLY A 19 0.620 1.180 -0.953 1.00 0.17 N ATOM 255 CA GLY A 19 1.406 1.284 0.273 1.00 0.18 C ATOM 256 C GLY A 19 2.692 2.078 0.077 1.00 0.18 C ATOM 257 O GLY A 19 3.438 1.822 -0.865 1.00 0.19 O ATOM 0 H GLY A 19 0.972 0.506 -1.632 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.804 1.759 1.047 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.651 0.284 0.629 1.00 0.18 H new ATOM 261 N VAL A 20 2.960 3.039 0.959 1.00 0.17 N ATOM 262 CA VAL A 20 4.145 3.888 0.838 1.00 0.18 C ATOM 263 C VAL A 20 5.382 3.249 1.442 1.00 0.21 C ATOM 264 O VAL A 20 5.535 3.116 2.647 1.00 0.45 O ATOM 265 CB VAL A 20 3.926 5.279 1.465 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.244 5.952 1.834 1.00 0.24 C ATOM 267 CG2 VAL A 20 3.134 6.165 0.521 1.00 0.20 C ATOM 0 H VAL A 20 2.373 3.250 1.766 1.00 0.17 H new ATOM 0 HA VAL A 20 4.310 4.007 -0.233 1.00 0.18 H new ATOM 0 HB VAL A 20 3.360 5.136 2.385 1.00 0.19 H new ATOM 0 HG11 VAL A 20 5.043 6.930 2.272 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.779 5.334 2.555 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.853 6.074 0.939 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.987 7.144 0.978 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.681 6.280 -0.415 1.00 0.20 H new ATOM 0 HG23 VAL A 20 2.164 5.709 0.321 1.00 0.20 H new ATOM 277 N ILE A 21 6.264 2.881 0.562 1.00 0.13 N ATOM 278 CA ILE A 21 7.560 2.367 0.914 1.00 0.11 C ATOM 279 C ILE A 21 8.565 3.496 0.990 1.00 0.13 C ATOM 280 O ILE A 21 8.966 4.053 -0.023 1.00 0.14 O ATOM 281 CB ILE A 21 8.009 1.341 -0.134 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.439 -0.011 0.208 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.523 1.258 -0.264 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.545 -0.958 -0.939 1.00 0.10 C ATOM 0 H ILE A 21 6.102 2.930 -0.444 1.00 0.13 H new ATOM 0 HA ILE A 21 7.498 1.884 1.889 1.00 0.11 H new ATOM 0 HB ILE A 21 7.630 1.673 -1.101 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.966 -0.421 1.069 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.393 0.097 0.496 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.783 0.517 -1.019 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.917 2.231 -0.559 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.955 0.967 0.694 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.124 -1.922 -0.655 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.996 -0.559 -1.792 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.593 -1.086 -1.210 1.00 0.10 H new ATOM 296 N THR A 22 8.948 3.872 2.178 1.00 0.13 N ATOM 297 CA THR A 22 10.073 4.755 2.305 1.00 0.14 C ATOM 298 C THR A 22 11.314 3.910 2.241 1.00 0.14 C ATOM 299 O THR A 22 11.375 2.862 2.847 1.00 0.18 O ATOM 300 CB THR A 22 10.065 5.535 3.618 1.00 0.16 C ATOM 301 OG1 THR A 22 8.744 6.022 3.893 1.00 0.20 O ATOM 302 CG2 THR A 22 11.031 6.702 3.530 1.00 0.17 C ATOM 0 H THR A 22 8.509 3.589 3.054 1.00 0.13 H new ATOM 0 HA THR A 22 10.032 5.490 1.501 1.00 0.14 H new ATOM 0 HB THR A 22 10.375 4.871 4.425 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.748 6.519 4.737 1.00 0.20 H new ATOM 0 HG21 THR A 22 11.021 7.254 4.470 1.00 0.17 H new ATOM 0 HG22 THR A 22 12.037 6.328 3.340 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.730 7.363 2.717 1.00 0.17 H new ATOM 310 N ALA A 23 12.291 4.324 1.499 1.00 0.12 N ATOM 311 CA ALA A 23 13.479 3.527 1.395 1.00 0.12 C ATOM 312 C ALA A 23 14.666 4.346 1.807 1.00 0.14 C ATOM 313 O ALA A 23 14.932 5.365 1.218 1.00 0.16 O ATOM 314 CB ALA A 23 13.621 3.027 -0.019 1.00 0.11 C ATOM 0 H ALA A 23 12.295 5.192 0.964 1.00 0.12 H new ATOM 0 HA ALA A 23 13.415 2.664 2.058 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.523 2.421 -0.102 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.752 2.423 -0.280 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.690 3.875 -0.700 1.00 0.11 H new ATOM 320 N VAL A 24 15.380 3.897 2.819 1.00 0.16 N ATOM 321 CA VAL A 24 16.454 4.693 3.399 1.00 0.18 C ATOM 322 C VAL A 24 17.631 4.875 2.445 1.00 0.20 C ATOM 323 O VAL A 24 18.472 5.757 2.642 1.00 0.25 O ATOM 324 CB VAL A 24 16.953 4.082 4.718 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.041 4.949 5.325 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.792 3.914 5.676 1.00 0.23 C ATOM 0 H VAL A 24 15.240 2.988 3.259 1.00 0.16 H new ATOM 0 HA VAL A 24 16.026 5.676 3.596 1.00 0.18 H new ATOM 0 HB VAL A 24 17.382 3.100 4.519 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.384 4.503 6.258 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.877 5.023 4.630 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.645 5.945 5.523 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.150 3.481 6.610 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.342 4.886 5.877 1.00 0.23 H new ATOM 0 HG23 VAL A 24 15.047 3.254 5.232 1.00 0.23 H new ATOM 336 N ARG A 25 17.699 4.066 1.404 1.00 0.21 N ATOM 337 CA ARG A 25 18.787 4.182 0.456 1.00 0.24 C ATOM 338 C ARG A 25 18.285 4.146 -0.977 1.00 0.23 C ATOM 339 O ARG A 25 17.440 3.320 -1.332 1.00 0.26 O ATOM 340 CB ARG A 25 19.815 3.096 0.705 1.00 0.33 C ATOM 341 CG ARG A 25 20.591 3.337 1.974 1.00 0.40 C ATOM 342 CD ARG A 25 21.529 4.511 1.815 1.00 0.73 C ATOM 343 NE ARG A 25 22.214 4.843 3.059 1.00 0.80 N ATOM 344 CZ ARG A 25 23.068 5.857 3.190 1.00 1.41 C ATOM 345 NH1 ARG A 25 23.372 6.620 2.146 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.618 6.106 4.370 1.00 1.42 N ATOM 0 H ARG A 25 17.023 3.331 1.196 1.00 0.21 H new ATOM 0 HA ARG A 25 19.264 5.151 0.603 1.00 0.24 H new ATOM 0 HB2 ARG A 25 19.315 2.129 0.763 1.00 0.33 H new ATOM 0 HB3 ARG A 25 20.504 3.048 -0.138 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.902 3.526 2.797 1.00 0.40 H new ATOM 0 HG3 ARG A 25 21.160 2.444 2.233 1.00 0.40 H new ATOM 0 HD2 ARG A 25 22.267 4.282 1.046 1.00 0.73 H new ATOM 0 HD3 ARG A 25 20.967 5.379 1.469 1.00 0.73 H new ATOM 0 HE ARG A 25 22.028 4.264 3.878 1.00 0.80 H new ATOM 0 HH11 ARG A 25 22.951 6.431 1.236 1.00 2.18 H new ATOM 0 HH12 ARG A 25 24.027 7.395 2.254 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.387 5.522 5.174 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.272 6.881 4.474 1.00 1.42 H new ATOM 360 N ASP A 26 18.811 5.059 -1.790 1.00 0.23 N ATOM 361 CA ASP A 26 18.384 5.194 -3.171 1.00 0.25 C ATOM 362 C ASP A 26 18.901 4.032 -3.999 1.00 0.24 C ATOM 363 O ASP A 26 20.020 3.551 -3.799 1.00 0.32 O ATOM 364 CB ASP A 26 18.854 6.524 -3.775 1.00 0.31 C ATOM 365 CG ASP A 26 20.347 6.571 -4.031 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.110 6.816 -3.073 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.761 6.377 -5.194 1.00 1.54 O ATOM 0 H ASP A 26 19.538 5.718 -1.509 1.00 0.23 H new ATOM 0 HA ASP A 26 17.294 5.185 -3.185 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.326 6.696 -4.713 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.582 7.337 -3.102 1.00 0.31 H new ATOM 372 N GLY A 27 18.063 3.575 -4.900 1.00 0.24 N ATOM 373 CA GLY A 27 18.396 2.468 -5.757 1.00 0.26 C ATOM 374 C GLY A 27 17.141 1.785 -6.235 1.00 0.21 C ATOM 375 O GLY A 27 16.158 2.448 -6.553 1.00 0.23 O ATOM 0 H GLY A 27 17.132 3.962 -5.057 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.975 2.821 -6.611 1.00 0.26 H new ATOM 0 HA3 GLY A 27 19.023 1.757 -5.219 1.00 0.26 H new ATOM 379 N ALA A 28 17.146 0.473 -6.251 1.00 0.19 N ATOM 380 CA ALA A 28 15.976 -0.276 -6.662 1.00 0.18 C ATOM 381 C ALA A 28 15.850 -1.546 -5.843 1.00 0.24 C ATOM 382 O ALA A 28 16.839 -2.241 -5.613 1.00 0.45 O ATOM 383 CB ALA A 28 16.038 -0.596 -8.144 1.00 0.21 C ATOM 0 H ALA A 28 17.946 -0.101 -5.985 1.00 0.19 H new ATOM 0 HA ALA A 28 15.092 0.337 -6.486 1.00 0.18 H new ATOM 0 HB1 ALA A 28 15.150 -1.159 -8.432 1.00 0.21 H new ATOM 0 HB2 ALA A 28 16.081 0.331 -8.715 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.928 -1.191 -8.351 1.00 0.21 H new ATOM 389 N GLY A 29 14.639 -1.844 -5.408 1.00 0.15 N ATOM 390 CA GLY A 29 14.418 -2.997 -4.575 1.00 0.19 C ATOM 391 C GLY A 29 13.172 -3.741 -4.980 1.00 0.17 C ATOM 392 O GLY A 29 12.556 -3.422 -5.997 1.00 0.21 O ATOM 0 H GLY A 29 13.801 -1.302 -5.620 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.278 -3.664 -4.639 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.334 -2.684 -3.534 1.00 0.19 H new ATOM 396 N SER A 30 12.782 -4.709 -4.177 1.00 0.15 N ATOM 397 CA SER A 30 11.627 -5.527 -4.499 1.00 0.15 C ATOM 398 C SER A 30 10.682 -5.621 -3.311 1.00 0.13 C ATOM 399 O SER A 30 11.111 -5.757 -2.164 1.00 0.14 O ATOM 400 CB SER A 30 12.070 -6.917 -4.949 1.00 0.20 C ATOM 401 OG SER A 30 13.000 -7.483 -4.038 1.00 0.23 O ATOM 0 H SER A 30 13.244 -4.949 -3.300 1.00 0.15 H new ATOM 0 HA SER A 30 11.089 -5.053 -5.320 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.200 -7.568 -5.035 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.520 -6.854 -5.940 1.00 0.20 H new ATOM 0 HG SER A 30 12.542 -7.710 -3.202 1.00 0.23 H new ATOM 407 N TYR A 31 9.395 -5.531 -3.603 1.00 0.13 N ATOM 408 CA TYR A 31 8.363 -5.516 -2.585 1.00 0.11 C ATOM 409 C TYR A 31 7.025 -5.976 -3.167 1.00 0.13 C ATOM 410 O TYR A 31 6.805 -5.903 -4.377 1.00 0.18 O ATOM 411 CB TYR A 31 8.255 -4.122 -1.970 1.00 0.10 C ATOM 412 CG TYR A 31 8.926 -3.022 -2.771 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.343 -2.552 -3.933 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.126 -2.431 -2.348 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.921 -1.540 -4.659 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.707 -1.407 -3.074 1.00 0.09 C ATOM 417 CZ TYR A 31 10.100 -0.966 -4.227 1.00 0.11 C ATOM 418 OH TYR A 31 10.671 0.056 -4.947 1.00 0.13 O ATOM 0 H TYR A 31 9.038 -5.466 -4.556 1.00 0.13 H new ATOM 0 HA TYR A 31 8.634 -6.216 -1.794 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.201 -3.874 -1.850 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.693 -4.145 -0.972 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.417 -2.989 -4.276 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.602 -2.780 -1.444 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.453 -1.193 -5.568 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.630 -0.957 -2.738 1.00 0.09 H new ATOM 0 HH TYR A 31 11.618 -0.142 -5.101 1.00 0.13 H new ATOM 428 N LYS A 32 6.150 -6.459 -2.297 1.00 0.13 N ATOM 429 CA LYS A 32 4.878 -7.051 -2.702 1.00 0.14 C ATOM 430 C LYS A 32 3.700 -6.394 -1.993 1.00 0.14 C ATOM 431 O LYS A 32 3.528 -6.554 -0.784 1.00 0.13 O ATOM 432 CB LYS A 32 4.879 -8.550 -2.385 1.00 0.16 C ATOM 433 CG LYS A 32 5.601 -8.897 -1.104 1.00 0.17 C ATOM 434 CD LYS A 32 6.954 -9.537 -1.370 1.00 0.25 C ATOM 435 CE LYS A 32 6.799 -10.970 -1.854 1.00 0.40 C ATOM 436 NZ LYS A 32 6.215 -11.849 -0.805 1.00 1.26 N ATOM 0 H LYS A 32 6.300 -6.453 -1.288 1.00 0.13 H new ATOM 0 HA LYS A 32 4.767 -6.891 -3.774 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.849 -8.899 -2.318 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.344 -9.087 -3.211 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.737 -7.994 -0.508 1.00 0.17 H new ATOM 0 HG3 LYS A 32 4.987 -9.578 -0.515 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.494 -8.955 -2.117 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.552 -9.521 -0.459 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.162 -10.988 -2.739 1.00 0.40 H new ATOM 0 HE3 LYS A 32 7.772 -11.359 -2.154 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 6.431 -12.842 -1.025 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 6.622 -11.603 0.120 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 5.184 -11.717 -0.776 1.00 1.26 H new ATOM 450 N LEU A 33 2.875 -5.681 -2.741 1.00 0.17 N ATOM 451 CA LEU A 33 1.706 -5.040 -2.160 1.00 0.17 C ATOM 452 C LEU A 33 0.450 -5.819 -2.521 1.00 0.19 C ATOM 453 O LEU A 33 0.107 -5.979 -3.694 1.00 0.27 O ATOM 454 CB LEU A 33 1.600 -3.570 -2.612 1.00 0.22 C ATOM 455 CG LEU A 33 0.434 -2.744 -2.018 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.871 -3.036 -2.732 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.276 -3.004 -0.525 1.00 0.49 C ATOM 0 H LEU A 33 2.991 -5.532 -3.743 1.00 0.17 H new ATOM 0 HA LEU A 33 1.812 -5.041 -1.075 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.535 -3.068 -2.362 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.510 -3.553 -3.698 1.00 0.22 H new ATOM 0 HG LEU A 33 0.681 -1.693 -2.165 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.669 -2.439 -2.290 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.772 -2.784 -3.788 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.111 -4.094 -2.632 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.551 -2.409 -0.138 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.071 -4.062 -0.360 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.195 -2.727 -0.008 1.00 0.49 H new ATOM 469 N ALA A 34 -0.221 -6.311 -1.506 1.00 0.16 N ATOM 470 CA ALA A 34 -1.505 -6.964 -1.685 1.00 0.19 C ATOM 471 C ALA A 34 -2.592 -6.148 -1.001 1.00 0.18 C ATOM 472 O ALA A 34 -2.397 -5.656 0.107 1.00 0.25 O ATOM 473 CB ALA A 34 -1.466 -8.385 -1.143 1.00 0.25 C ATOM 0 H ALA A 34 0.101 -6.273 -0.539 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.729 -7.024 -2.750 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.438 -8.856 -1.287 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.704 -8.956 -1.673 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.228 -8.362 -0.080 1.00 0.25 H new ATOM 479 N VAL A 35 -3.725 -5.986 -1.661 1.00 0.16 N ATOM 480 CA VAL A 35 -4.814 -5.205 -1.100 1.00 0.14 C ATOM 481 C VAL A 35 -5.940 -6.123 -0.652 1.00 0.16 C ATOM 482 O VAL A 35 -6.288 -7.086 -1.340 1.00 0.23 O ATOM 483 CB VAL A 35 -5.368 -4.160 -2.097 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.376 -3.244 -1.416 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.242 -3.341 -2.700 1.00 0.21 C ATOM 0 H VAL A 35 -3.915 -6.382 -2.581 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.408 -4.664 -0.245 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.874 -4.698 -2.899 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.752 -2.517 -2.136 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.206 -3.838 -1.032 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.893 -2.720 -0.591 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.655 -2.613 -3.398 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.706 -2.820 -1.907 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.555 -4.001 -3.229 1.00 0.21 H new ATOM 495 N ASP A 36 -6.488 -5.827 0.507 1.00 0.19 N ATOM 496 CA ASP A 36 -7.569 -6.604 1.077 1.00 0.24 C ATOM 497 C ASP A 36 -8.843 -5.776 1.067 1.00 0.25 C ATOM 498 O ASP A 36 -8.945 -4.774 1.761 1.00 0.31 O ATOM 499 CB ASP A 36 -7.204 -7.005 2.509 1.00 0.33 C ATOM 500 CG ASP A 36 -8.296 -7.787 3.210 1.00 1.05 C ATOM 501 OD1 ASP A 36 -8.460 -8.987 2.919 1.00 1.52 O ATOM 502 OD2 ASP A 36 -9.024 -7.191 4.030 1.00 1.67 O ATOM 0 H ASP A 36 -6.196 -5.038 1.083 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.730 -7.507 0.488 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.293 -7.604 2.490 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -6.983 -6.107 3.085 1.00 0.33 H new ATOM 507 N LYS A 37 -9.807 -6.184 0.272 1.00 0.28 N ATOM 508 CA LYS A 37 -11.038 -5.443 0.152 1.00 0.33 C ATOM 509 C LYS A 37 -12.209 -6.292 0.613 1.00 0.46 C ATOM 510 O LYS A 37 -12.356 -7.440 0.199 1.00 0.63 O ATOM 511 CB LYS A 37 -11.220 -4.969 -1.283 1.00 0.42 C ATOM 512 CG LYS A 37 -12.665 -4.871 -1.689 1.00 0.95 C ATOM 513 CD LYS A 37 -12.844 -4.255 -3.069 1.00 0.77 C ATOM 514 CE LYS A 37 -12.459 -5.206 -4.187 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.814 -4.657 -5.521 1.00 1.34 N ATOM 0 H LYS A 37 -9.760 -7.027 -0.301 1.00 0.28 H new ATOM 0 HA LYS A 37 -10.995 -4.563 0.794 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -10.748 -3.994 -1.401 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -10.705 -5.655 -1.955 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -13.110 -5.866 -1.679 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -13.205 -4.273 -0.955 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -13.884 -3.953 -3.196 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -12.238 -3.352 -3.141 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.387 -5.400 -4.147 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -12.962 -6.162 -4.041 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.959 -5.439 -6.191 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.689 -4.099 -5.445 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -12.043 -4.048 -5.862 1.00 1.34 H new ATOM 529 N ALA A 38 -13.016 -5.727 1.489 1.00 0.41 N ATOM 530 CA ALA A 38 -14.176 -6.411 2.016 1.00 0.52 C ATOM 531 C ALA A 38 -15.382 -5.483 2.003 1.00 0.47 C ATOM 532 O ALA A 38 -15.494 -4.572 2.824 1.00 0.43 O ATOM 533 CB ALA A 38 -13.883 -6.913 3.420 1.00 0.60 C ATOM 0 H ALA A 38 -12.885 -4.783 1.854 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.407 -7.270 1.387 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -14.760 -7.428 3.813 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.040 -7.603 3.391 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.639 -6.069 4.065 1.00 0.60 H new ATOM 539 N GLY A 39 -16.279 -5.722 1.066 1.00 0.57 N ATOM 540 CA GLY A 39 -17.434 -4.867 0.904 1.00 0.60 C ATOM 541 C GLY A 39 -18.729 -5.634 1.030 1.00 0.81 C ATOM 542 O GLY A 39 -18.743 -6.753 1.548 1.00 0.96 O ATOM 0 H GLY A 39 -16.229 -6.500 0.408 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.407 -4.076 1.653 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.393 -4.383 -0.072 1.00 0.60 H new ATOM 546 N ALA A 40 -19.814 -5.042 0.548 1.00 0.90 N ATOM 547 CA ALA A 40 -21.125 -5.675 0.604 1.00 1.14 C ATOM 548 C ALA A 40 -21.146 -6.972 -0.199 1.00 1.33 C ATOM 549 O ALA A 40 -21.874 -7.908 0.132 1.00 1.57 O ATOM 550 CB ALA A 40 -22.190 -4.721 0.099 1.00 1.24 C ATOM 0 H ALA A 40 -19.811 -4.120 0.112 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.338 -5.922 1.644 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -23.165 -5.206 0.146 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.200 -3.825 0.720 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -21.972 -4.445 -0.933 1.00 1.24 H new ATOM 556 N ALA A 41 -20.323 -7.027 -1.241 1.00 1.28 N ATOM 557 CA ALA A 41 -20.236 -8.209 -2.089 1.00 1.49 C ATOM 558 C ALA A 41 -19.221 -9.210 -1.541 1.00 1.45 C ATOM 559 O ALA A 41 -18.820 -10.151 -2.232 1.00 1.72 O ATOM 560 CB ALA A 41 -19.877 -7.812 -3.509 1.00 1.58 C ATOM 0 H ALA A 41 -19.705 -6.264 -1.519 1.00 1.28 H new ATOM 0 HA ALA A 41 -21.213 -8.693 -2.095 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -19.815 -8.704 -4.132 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -20.643 -7.145 -3.905 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -18.914 -7.301 -3.511 1.00 1.58 H new ATOM 566 N GLY A 42 -18.800 -9.001 -0.303 1.00 1.19 N ATOM 567 CA GLY A 42 -17.862 -9.908 0.321 1.00 1.21 C ATOM 568 C GLY A 42 -16.431 -9.448 0.171 1.00 1.01 C ATOM 569 O GLY A 42 -16.173 -8.276 -0.119 1.00 0.86 O ATOM 0 H GLY A 42 -19.092 -8.218 0.281 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.102 -10.002 1.380 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -17.971 -10.899 -0.120 1.00 1.21 H new ATOM 573 N THR A 43 -15.500 -10.370 0.350 1.00 1.03 N ATOM 574 CA THR A 43 -14.091 -10.048 0.304 1.00 0.88 C ATOM 575 C THR A 43 -13.520 -10.289 -1.089 1.00 0.82 C ATOM 576 O THR A 43 -14.006 -11.143 -1.830 1.00 0.92 O ATOM 577 CB THR A 43 -13.311 -10.888 1.330 1.00 0.97 C ATOM 578 OG1 THR A 43 -13.547 -12.287 1.104 1.00 1.14 O ATOM 579 CG2 THR A 43 -13.722 -10.530 2.748 1.00 1.00 C ATOM 0 H THR A 43 -15.701 -11.354 0.530 1.00 1.03 H new ATOM 0 HA THR A 43 -13.985 -8.991 0.549 1.00 0.88 H new ATOM 0 HB THR A 43 -12.250 -10.672 1.207 1.00 0.97 H new ATOM 0 HG1 THR A 43 -13.045 -12.814 1.761 1.00 1.14 H new ATOM 0 HG21 THR A 43 -13.157 -11.137 3.455 1.00 1.00 H new ATOM 0 HG22 THR A 43 -13.517 -9.475 2.931 1.00 1.00 H new ATOM 0 HG23 THR A 43 -14.787 -10.720 2.877 1.00 1.00 H new ATOM 587 N SER A 44 -12.498 -9.527 -1.438 1.00 0.73 N ATOM 588 CA SER A 44 -11.848 -9.656 -2.727 1.00 0.69 C ATOM 589 C SER A 44 -10.338 -9.758 -2.544 1.00 0.59 C ATOM 590 O SER A 44 -9.800 -9.330 -1.520 1.00 0.60 O ATOM 591 CB SER A 44 -12.202 -8.459 -3.605 1.00 0.72 C ATOM 592 OG SER A 44 -13.610 -8.307 -3.717 1.00 1.15 O ATOM 0 H SER A 44 -12.098 -8.805 -0.838 1.00 0.73 H new ATOM 0 HA SER A 44 -12.198 -10.565 -3.216 1.00 0.69 H new ATOM 0 HB2 SER A 44 -11.768 -7.553 -3.183 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.767 -8.589 -4.596 1.00 0.72 H new ATOM 0 HG SER A 44 -13.840 -8.056 -4.636 1.00 1.15 H new ATOM 598 N ARG A 45 -9.657 -10.321 -3.531 1.00 0.63 N ATOM 599 CA ARG A 45 -8.232 -10.587 -3.411 1.00 0.60 C ATOM 600 C ARG A 45 -7.431 -9.868 -4.485 1.00 0.51 C ATOM 601 O ARG A 45 -7.531 -10.182 -5.673 1.00 0.65 O ATOM 602 CB ARG A 45 -7.981 -12.094 -3.477 1.00 0.78 C ATOM 603 CG ARG A 45 -8.628 -12.851 -2.330 1.00 1.48 C ATOM 604 CD ARG A 45 -7.970 -12.505 -1.007 1.00 1.56 C ATOM 605 NE ARG A 45 -8.809 -12.848 0.136 1.00 1.96 N ATOM 606 CZ ARG A 45 -9.086 -12.001 1.125 1.00 2.32 C ATOM 607 NH1 ARG A 45 -8.612 -10.763 1.085 1.00 2.28 N ATOM 608 NH2 ARG A 45 -9.838 -12.386 2.148 1.00 3.08 N ATOM 0 H ARG A 45 -10.067 -10.602 -4.422 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.897 -10.205 -2.447 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -8.363 -12.480 -4.422 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.907 -12.279 -3.468 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -9.690 -12.611 -2.285 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -8.551 -13.923 -2.509 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -7.019 -13.032 -0.928 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -7.746 -11.439 -0.983 1.00 1.56 H new ATOM 0 HE ARG A 45 -9.205 -13.787 0.180 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -8.037 -10.462 0.298 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -8.822 -10.112 1.841 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -10.208 -13.336 2.180 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -10.046 -11.732 2.902 1.00 3.08 H new ATOM 622 N ILE A 46 -6.641 -8.895 -4.054 1.00 0.38 N ATOM 623 CA ILE A 46 -5.754 -8.166 -4.943 1.00 0.33 C ATOM 624 C ILE A 46 -4.310 -8.361 -4.498 1.00 0.30 C ATOM 625 O ILE A 46 -4.001 -8.208 -3.316 1.00 0.34 O ATOM 626 CB ILE A 46 -6.070 -6.662 -4.978 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.498 -6.424 -5.464 1.00 0.44 C ATOM 628 CG2 ILE A 46 -5.083 -5.941 -5.878 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.532 -6.402 -4.356 1.00 0.40 C ATOM 0 H ILE A 46 -6.598 -8.591 -3.081 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.904 -8.563 -5.947 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.980 -6.266 -3.966 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.535 -5.476 -6.000 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.762 -7.204 -6.178 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.317 -4.876 -5.895 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -4.072 -6.085 -5.498 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.151 -6.344 -6.889 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.520 -6.228 -4.783 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.526 -7.359 -3.834 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -8.295 -5.603 -3.653 1.00 0.40 H new ATOM 641 N LYS A 47 -3.436 -8.720 -5.422 1.00 0.31 N ATOM 642 CA LYS A 47 -2.039 -8.946 -5.089 1.00 0.38 C ATOM 643 C LYS A 47 -1.127 -8.537 -6.236 1.00 0.41 C ATOM 644 O LYS A 47 -1.150 -9.144 -7.305 1.00 0.51 O ATOM 645 CB LYS A 47 -1.823 -10.403 -4.729 1.00 0.51 C ATOM 646 CG LYS A 47 -0.400 -10.733 -4.316 1.00 0.91 C ATOM 647 CD LYS A 47 -0.352 -12.057 -3.584 1.00 1.56 C ATOM 648 CE LYS A 47 1.064 -12.430 -3.175 1.00 2.17 C ATOM 649 NZ LYS A 47 1.935 -12.699 -4.348 1.00 2.74 N ATOM 0 H LYS A 47 -3.667 -8.861 -6.405 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.786 -8.327 -4.228 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.498 -10.669 -3.915 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -2.095 -11.022 -5.584 1.00 0.51 H new ATOM 0 HG2 LYS A 47 0.240 -10.775 -5.197 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -0.009 -9.943 -3.675 1.00 0.91 H new ATOM 0 HD2 LYS A 47 -0.984 -12.004 -2.697 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -0.763 -12.839 -4.222 1.00 1.56 H new ATOM 0 HE2 LYS A 47 1.494 -11.622 -2.583 1.00 2.17 H new ATOM 0 HE3 LYS A 47 1.035 -13.313 -2.536 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 2.841 -13.095 -4.024 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 1.466 -13.379 -4.980 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 2.109 -11.812 -4.862 1.00 2.74 H new ATOM 663 N GLN A 48 -0.333 -7.500 -6.016 1.00 0.40 N ATOM 664 CA GLN A 48 0.636 -7.059 -7.005 1.00 0.47 C ATOM 665 C GLN A 48 2.034 -7.090 -6.405 1.00 0.50 C ATOM 666 O GLN A 48 2.336 -6.358 -5.462 1.00 0.78 O ATOM 667 CB GLN A 48 0.300 -5.648 -7.495 1.00 0.52 C ATOM 668 CG GLN A 48 -1.062 -5.545 -8.167 1.00 0.55 C ATOM 669 CD GLN A 48 -1.366 -4.151 -8.686 1.00 0.82 C ATOM 670 OE1 GLN A 48 -0.830 -3.136 -8.028 1.00 1.63 O flip ATOM 671 NE2 GLN A 48 -2.081 -3.990 -9.674 1.00 1.37 N flip ATOM 0 H GLN A 48 -0.342 -6.948 -5.159 1.00 0.40 H new ATOM 0 HA GLN A 48 0.599 -7.735 -7.859 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.331 -4.961 -6.649 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.068 -5.324 -8.197 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -1.106 -6.252 -8.995 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.834 -5.838 -7.456 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -2.476 -4.798 -10.155 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -2.279 -3.048 -10.012 1.00 1.37 H new ATOM 680 N ALA A 49 2.886 -7.936 -6.953 1.00 0.32 N ATOM 681 CA ALA A 49 4.232 -8.101 -6.437 1.00 0.31 C ATOM 682 C ALA A 49 5.257 -7.939 -7.544 1.00 0.31 C ATOM 683 O ALA A 49 4.968 -8.207 -8.714 1.00 0.39 O ATOM 684 CB ALA A 49 4.378 -9.456 -5.768 1.00 0.33 C ATOM 0 H ALA A 49 2.668 -8.522 -7.759 1.00 0.32 H new ATOM 0 HA ALA A 49 4.412 -7.325 -5.693 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.393 -9.566 -5.386 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.669 -9.533 -4.943 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.177 -10.244 -6.494 1.00 0.33 H new ATOM 690 N GLY A 50 6.447 -7.500 -7.173 1.00 0.25 N ATOM 691 CA GLY A 50 7.498 -7.296 -8.143 1.00 0.26 C ATOM 692 C GLY A 50 8.619 -6.459 -7.580 1.00 0.23 C ATOM 693 O GLY A 50 9.006 -6.625 -6.420 1.00 0.25 O ATOM 0 H GLY A 50 6.705 -7.280 -6.211 1.00 0.25 H new ATOM 0 HA2 GLY A 50 7.890 -8.261 -8.464 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.088 -6.808 -9.027 1.00 0.26 H new ATOM 697 N ALA A 51 9.133 -5.551 -8.389 1.00 0.23 N ATOM 698 CA ALA A 51 10.216 -4.689 -7.978 1.00 0.21 C ATOM 699 C ALA A 51 10.035 -3.299 -8.570 1.00 0.23 C ATOM 700 O ALA A 51 9.351 -3.133 -9.581 1.00 0.38 O ATOM 701 CB ALA A 51 11.548 -5.285 -8.394 1.00 0.23 C ATOM 0 H ALA A 51 8.811 -5.394 -9.344 1.00 0.23 H new ATOM 0 HA ALA A 51 10.206 -4.602 -6.892 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.356 -4.625 -8.078 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.672 -6.261 -7.925 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.574 -5.397 -9.478 1.00 0.23 H new ATOM 707 N PHE A 52 10.638 -2.309 -7.942 1.00 0.15 N ATOM 708 CA PHE A 52 10.513 -0.929 -8.383 1.00 0.16 C ATOM 709 C PHE A 52 11.728 -0.133 -7.906 1.00 0.14 C ATOM 710 O PHE A 52 12.597 -0.672 -7.215 1.00 0.16 O ATOM 711 CB PHE A 52 9.200 -0.334 -7.851 1.00 0.17 C ATOM 712 CG PHE A 52 8.872 1.052 -8.339 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.690 1.310 -9.686 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.748 2.096 -7.438 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.390 2.587 -10.127 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.450 3.374 -7.871 1.00 0.18 C ATOM 717 CZ PHE A 52 8.271 3.620 -9.217 1.00 0.23 C ATOM 0 H PHE A 52 11.225 -2.434 -7.117 1.00 0.15 H new ATOM 0 HA PHE A 52 10.483 -0.882 -9.472 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.382 -1.000 -8.126 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.245 -0.316 -6.762 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.783 0.506 -10.401 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.886 1.909 -6.383 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.249 2.776 -11.181 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.357 4.179 -7.157 1.00 0.18 H new ATOM 0 HZ PHE A 52 8.038 4.618 -9.558 1.00 0.23 H new ATOM 727 N THR A 53 11.799 1.128 -8.288 1.00 0.15 N ATOM 728 CA THR A 53 12.914 1.976 -7.932 1.00 0.16 C ATOM 729 C THR A 53 12.580 2.805 -6.700 1.00 0.16 C ATOM 730 O THR A 53 11.513 3.418 -6.628 1.00 0.27 O ATOM 731 CB THR A 53 13.259 2.906 -9.090 1.00 0.21 C ATOM 732 OG1 THR A 53 12.955 2.264 -10.338 1.00 0.43 O ATOM 733 CG2 THR A 53 14.727 3.277 -9.060 1.00 0.40 C ATOM 0 H THR A 53 11.086 1.590 -8.852 1.00 0.15 H new ATOM 0 HA THR A 53 13.771 1.339 -7.712 1.00 0.16 H new ATOM 0 HB THR A 53 12.665 3.814 -8.990 1.00 0.21 H new ATOM 0 HG1 THR A 53 13.177 2.866 -11.078 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.952 3.941 -9.895 1.00 0.40 H new ATOM 0 HG22 THR A 53 14.955 3.783 -8.122 1.00 0.40 H new ATOM 0 HG23 THR A 53 15.332 2.374 -9.142 1.00 0.40 H new ATOM 741 N ALA A 54 13.485 2.834 -5.737 1.00 0.13 N ATOM 742 CA ALA A 54 13.228 3.532 -4.493 1.00 0.13 C ATOM 743 C ALA A 54 14.346 4.518 -4.174 1.00 0.14 C ATOM 744 O ALA A 54 15.514 4.259 -4.448 1.00 0.23 O ATOM 745 CB ALA A 54 13.038 2.537 -3.353 1.00 0.15 C ATOM 0 H ALA A 54 14.399 2.385 -5.793 1.00 0.13 H new ATOM 0 HA ALA A 54 12.307 4.103 -4.608 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.846 3.078 -2.426 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.192 1.886 -3.575 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.940 1.935 -3.242 1.00 0.15 H new ATOM 751 N ILE A 55 13.978 5.655 -3.606 1.00 0.17 N ATOM 752 CA ILE A 55 14.937 6.698 -3.270 1.00 0.18 C ATOM 753 C ILE A 55 15.097 6.821 -1.766 1.00 0.16 C ATOM 754 O ILE A 55 14.132 6.673 -1.017 1.00 0.14 O ATOM 755 CB ILE A 55 14.511 8.043 -3.860 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.636 7.989 -5.377 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.338 9.179 -3.288 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.694 8.906 -5.941 1.00 0.33 C ATOM 0 H ILE A 55 13.013 5.881 -3.366 1.00 0.17 H new ATOM 0 HA ILE A 55 15.897 6.416 -3.702 1.00 0.18 H new ATOM 0 HB ILE A 55 13.472 8.234 -3.592 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.861 6.965 -5.676 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.674 8.246 -5.820 1.00 0.26 H new ATOM 0 HG21 ILE A 55 15.012 10.123 -3.726 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.206 9.216 -2.207 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.390 9.015 -3.520 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.719 8.808 -7.026 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.461 9.937 -5.675 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.667 8.636 -5.529 1.00 0.33 H new ATOM 770 N ALA A 56 16.327 7.094 -1.344 1.00 0.17 N ATOM 771 CA ALA A 56 16.657 7.191 0.072 1.00 0.18 C ATOM 772 C ALA A 56 15.840 8.252 0.784 1.00 0.17 C ATOM 773 O ALA A 56 15.815 9.413 0.370 1.00 0.20 O ATOM 774 CB ALA A 56 18.129 7.467 0.289 1.00 0.22 C ATOM 0 H ALA A 56 17.117 7.253 -1.969 1.00 0.17 H new ATOM 0 HA ALA A 56 16.410 6.219 0.500 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.333 7.532 1.358 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.718 6.659 -0.145 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.397 8.409 -0.190 1.00 0.22 H new ATOM 780 N GLU A 57 15.160 7.822 1.844 1.00 0.16 N ATOM 781 CA GLU A 57 14.376 8.692 2.702 1.00 0.18 C ATOM 782 C GLU A 57 13.238 9.338 1.923 1.00 0.19 C ATOM 783 O GLU A 57 12.617 10.308 2.364 1.00 0.28 O ATOM 784 CB GLU A 57 15.283 9.716 3.355 1.00 0.23 C ATOM 785 CG GLU A 57 16.306 9.061 4.269 1.00 0.27 C ATOM 786 CD GLU A 57 15.670 8.470 5.510 1.00 0.74 C ATOM 787 OE1 GLU A 57 15.261 7.291 5.473 1.00 1.33 O ATOM 788 OE2 GLU A 57 15.577 9.176 6.534 1.00 0.75 O ATOM 0 H GLU A 57 15.141 6.843 2.131 1.00 0.16 H new ATOM 0 HA GLU A 57 13.915 8.102 3.494 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.798 10.289 2.584 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.682 10.421 3.929 1.00 0.23 H new ATOM 0 HG2 GLU A 57 16.829 8.276 3.722 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.053 9.798 4.562 1.00 0.27 H new ATOM 795 N GLN A 58 12.971 8.755 0.768 1.00 0.16 N ATOM 796 CA GLN A 58 11.884 9.144 -0.077 1.00 0.18 C ATOM 797 C GLN A 58 10.776 8.142 0.035 1.00 0.17 C ATOM 798 O GLN A 58 11.001 6.960 0.301 1.00 0.19 O ATOM 799 CB GLN A 58 12.320 9.257 -1.512 1.00 0.20 C ATOM 800 CG GLN A 58 12.649 10.674 -1.926 1.00 0.28 C ATOM 801 CD GLN A 58 11.999 11.726 -1.051 1.00 0.70 C ATOM 802 OE1 GLN A 58 12.578 12.175 -0.061 1.00 1.38 O ATOM 803 NE2 GLN A 58 10.791 12.128 -1.413 1.00 1.48 N ATOM 0 H GLN A 58 13.522 7.983 0.394 1.00 0.16 H new ATOM 0 HA GLN A 58 11.533 10.123 0.250 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.195 8.627 -1.669 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.530 8.871 -2.156 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.730 10.810 -1.901 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.333 10.825 -2.958 1.00 0.28 H new ATOM 0 HE21 GLN A 58 10.348 11.730 -2.241 1.00 1.48 H new ATOM 0 HE22 GLN A 58 10.303 12.836 -0.864 1.00 1.48 H new ATOM 812 N ARG A 59 9.591 8.626 -0.165 1.00 0.16 N ATOM 813 CA ARG A 59 8.412 7.799 -0.088 1.00 0.17 C ATOM 814 C ARG A 59 8.086 7.223 -1.453 1.00 0.17 C ATOM 815 O ARG A 59 7.856 7.956 -2.416 1.00 0.22 O ATOM 816 CB ARG A 59 7.227 8.599 0.431 1.00 0.24 C ATOM 817 CG ARG A 59 7.070 8.594 1.945 1.00 0.30 C ATOM 818 CD ARG A 59 8.316 9.062 2.662 1.00 0.44 C ATOM 819 NE ARG A 59 8.094 9.198 4.102 1.00 1.37 N ATOM 820 CZ ARG A 59 9.007 9.658 4.961 1.00 1.72 C ATOM 821 NH1 ARG A 59 10.204 10.034 4.528 1.00 1.51 N ATOM 822 NH2 ARG A 59 8.721 9.747 6.252 1.00 2.72 N ATOM 0 H ARG A 59 9.406 9.604 -0.387 1.00 0.16 H new ATOM 0 HA ARG A 59 8.612 6.983 0.606 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.327 9.631 0.093 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.315 8.204 -0.016 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.234 9.236 2.222 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.821 7.586 2.277 1.00 0.30 H new ATOM 0 HD2 ARG A 59 9.126 8.354 2.484 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.634 10.020 2.251 1.00 0.44 H new ATOM 0 HE ARG A 59 7.184 8.924 4.473 1.00 1.37 H new ATOM 0 HH11 ARG A 59 10.430 9.972 3.535 1.00 1.51 H new ATOM 0 HH12 ARG A 59 10.898 10.385 5.188 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.802 9.464 6.591 1.00 2.72 H new ATOM 0 HH22 ARG A 59 9.420 10.099 6.906 1.00 2.72 H new ATOM 836 N VAL A 60 8.075 5.912 -1.529 1.00 0.13 N ATOM 837 CA VAL A 60 7.786 5.217 -2.759 1.00 0.14 C ATOM 838 C VAL A 60 6.500 4.436 -2.600 1.00 0.13 C ATOM 839 O VAL A 60 6.465 3.428 -1.914 1.00 0.12 O ATOM 840 CB VAL A 60 8.954 4.266 -3.109 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.585 3.335 -4.256 1.00 0.15 C ATOM 842 CG2 VAL A 60 10.181 5.086 -3.463 1.00 0.15 C ATOM 0 H VAL A 60 8.267 5.298 -0.737 1.00 0.13 H new ATOM 0 HA VAL A 60 7.669 5.936 -3.570 1.00 0.14 H new ATOM 0 HB VAL A 60 9.170 3.644 -2.240 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.427 2.679 -4.478 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.721 2.733 -3.973 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.342 3.925 -5.140 1.00 0.15 H new ATOM 0 HG21 VAL A 60 11.006 4.418 -3.710 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.959 5.721 -4.320 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.460 5.708 -2.613 1.00 0.15 H new ATOM 852 N THR A 61 5.439 4.872 -3.249 1.00 0.15 N ATOM 853 CA THR A 61 4.166 4.229 -3.036 1.00 0.15 C ATOM 854 C THR A 61 3.965 3.106 -4.026 1.00 0.16 C ATOM 855 O THR A 61 4.118 3.282 -5.236 1.00 0.19 O ATOM 856 CB THR A 61 2.993 5.211 -3.087 1.00 0.17 C ATOM 857 OG1 THR A 61 3.405 6.487 -2.577 1.00 0.19 O ATOM 858 CG2 THR A 61 1.850 4.673 -2.253 1.00 0.19 C ATOM 0 H THR A 61 5.434 5.648 -3.911 1.00 0.15 H new ATOM 0 HA THR A 61 4.186 3.814 -2.028 1.00 0.15 H new ATOM 0 HB THR A 61 2.665 5.329 -4.120 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.652 7.113 -2.613 1.00 0.19 H new ATOM 0 HG21 THR A 61 1.014 5.371 -2.288 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.534 3.708 -2.649 1.00 0.19 H new ATOM 0 HG23 THR A 61 2.178 4.552 -1.221 1.00 0.19 H new ATOM 866 N VAL A 62 3.635 1.950 -3.496 1.00 0.15 N ATOM 867 CA VAL A 62 3.661 0.739 -4.265 1.00 0.15 C ATOM 868 C VAL A 62 2.326 0.006 -4.247 1.00 0.15 C ATOM 869 O VAL A 62 1.658 -0.068 -3.215 1.00 0.16 O ATOM 870 CB VAL A 62 4.797 -0.175 -3.749 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.538 -1.651 -4.033 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.125 0.277 -4.346 1.00 0.16 C ATOM 0 H VAL A 62 3.344 1.829 -2.526 1.00 0.15 H new ATOM 0 HA VAL A 62 3.850 1.008 -5.304 1.00 0.15 H new ATOM 0 HB VAL A 62 4.837 -0.079 -2.664 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.367 -2.246 -3.650 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.614 -1.959 -3.544 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.448 -1.804 -5.108 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.925 -0.367 -3.982 1.00 0.16 H new ATOM 0 HG22 VAL A 62 6.075 0.215 -5.433 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.325 1.307 -4.050 1.00 0.16 H new ATOM 882 N GLY A 63 1.947 -0.514 -5.409 1.00 0.18 N ATOM 883 CA GLY A 63 0.756 -1.323 -5.510 1.00 0.21 C ATOM 884 C GLY A 63 -0.487 -0.492 -5.702 1.00 0.20 C ATOM 885 O GLY A 63 -1.412 -0.570 -4.903 1.00 0.28 O ATOM 0 H GLY A 63 2.451 -0.386 -6.287 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.860 -2.015 -6.345 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.651 -1.926 -4.608 1.00 0.21 H new ATOM 889 N ASN A 64 -0.512 0.297 -6.766 1.00 0.33 N ATOM 890 CA ASN A 64 -1.645 1.163 -7.042 1.00 0.40 C ATOM 891 C ASN A 64 -2.827 0.350 -7.535 1.00 0.37 C ATOM 892 O ASN A 64 -2.842 -0.164 -8.653 1.00 0.52 O ATOM 893 CB ASN A 64 -1.273 2.264 -8.050 1.00 0.67 C ATOM 894 CG ASN A 64 -0.534 1.750 -9.275 1.00 1.31 C ATOM 895 OD1 ASN A 64 0.694 1.646 -9.273 1.00 2.17 O ATOM 896 ND2 ASN A 64 -1.265 1.441 -10.334 1.00 1.98 N ATOM 0 H ASN A 64 0.241 0.354 -7.452 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.931 1.653 -6.111 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -2.183 2.771 -8.372 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.654 3.008 -7.549 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -0.814 1.104 -11.185 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -2.280 1.540 -10.300 1.00 1.98 H new ATOM 903 N VAL A 65 -3.811 0.233 -6.674 1.00 0.25 N ATOM 904 CA VAL A 65 -5.028 -0.493 -6.978 1.00 0.33 C ATOM 905 C VAL A 65 -6.231 0.396 -6.720 1.00 0.27 C ATOM 906 O VAL A 65 -6.458 0.826 -5.593 1.00 0.35 O ATOM 907 CB VAL A 65 -5.140 -1.765 -6.121 1.00 0.43 C ATOM 908 CG1 VAL A 65 -6.397 -2.548 -6.473 1.00 1.29 C ATOM 909 CG2 VAL A 65 -3.895 -2.624 -6.285 1.00 1.10 C ATOM 0 H VAL A 65 -3.792 0.639 -5.739 1.00 0.25 H new ATOM 0 HA VAL A 65 -4.999 -0.784 -8.028 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.216 -1.471 -5.074 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -6.454 -3.443 -5.854 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -7.275 -1.927 -6.294 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -6.364 -2.836 -7.524 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -3.988 -3.521 -5.673 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -3.785 -2.909 -7.331 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -3.019 -2.058 -5.969 1.00 1.10 H new ATOM 919 N VAL A 66 -6.985 0.695 -7.761 1.00 0.25 N ATOM 920 CA VAL A 66 -8.132 1.573 -7.616 1.00 0.23 C ATOM 921 C VAL A 66 -9.409 0.780 -7.387 1.00 0.24 C ATOM 922 O VAL A 66 -9.781 -0.076 -8.190 1.00 0.27 O ATOM 923 CB VAL A 66 -8.308 2.494 -8.837 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.448 3.474 -8.603 1.00 0.30 C ATOM 925 CG2 VAL A 66 -7.013 3.231 -9.140 1.00 0.29 C ATOM 0 H VAL A 66 -6.827 0.348 -8.707 1.00 0.25 H new ATOM 0 HA VAL A 66 -7.939 2.195 -6.742 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.559 1.880 -9.702 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.559 4.118 -9.475 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.374 2.923 -8.438 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -9.229 4.085 -7.727 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -7.156 3.877 -10.006 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.729 3.836 -8.279 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -6.225 2.509 -9.353 1.00 0.29 H new ATOM 935 N LEU A 67 -10.058 1.069 -6.273 1.00 0.22 N ATOM 936 CA LEU A 67 -11.329 0.464 -5.918 1.00 0.23 C ATOM 937 C LEU A 67 -12.433 1.486 -6.145 1.00 0.24 C ATOM 938 O LEU A 67 -12.152 2.679 -6.291 1.00 0.26 O ATOM 939 CB LEU A 67 -11.357 0.062 -4.438 1.00 0.21 C ATOM 940 CG LEU A 67 -10.189 -0.775 -3.893 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.908 -1.975 -4.783 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.933 0.067 -3.694 1.00 0.18 C ATOM 0 H LEU A 67 -9.714 1.737 -5.583 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.471 -0.425 -6.532 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.418 0.975 -3.846 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.277 -0.495 -4.261 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.489 -1.147 -2.913 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -9.077 -2.547 -4.371 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.795 -2.607 -4.832 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.651 -1.632 -5.785 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.131 -0.562 -3.308 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.629 0.498 -4.648 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.140 0.868 -2.984 1.00 0.18 H new ATOM 954 N ASP A 68 -13.679 1.045 -6.180 1.00 0.26 N ATOM 955 CA ASP A 68 -14.787 1.985 -6.133 1.00 0.28 C ATOM 956 C ASP A 68 -14.903 2.503 -4.705 1.00 0.28 C ATOM 957 O ASP A 68 -14.904 1.725 -3.750 1.00 0.30 O ATOM 958 CB ASP A 68 -16.105 1.360 -6.618 1.00 0.32 C ATOM 959 CG ASP A 68 -16.622 0.249 -5.726 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.172 -0.906 -5.886 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.508 0.518 -4.888 1.00 1.25 O ATOM 0 H ASP A 68 -13.946 0.062 -6.240 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.588 2.811 -6.816 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.863 2.141 -6.686 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -15.961 0.967 -7.625 1.00 0.32 H new ATOM 966 N TYR A 69 -14.955 3.815 -4.559 1.00 0.28 N ATOM 967 CA TYR A 69 -14.861 4.435 -3.247 1.00 0.27 C ATOM 968 C TYR A 69 -16.150 4.307 -2.454 1.00 0.27 C ATOM 969 O TYR A 69 -17.225 4.663 -2.929 1.00 0.30 O ATOM 970 CB TYR A 69 -14.481 5.910 -3.378 1.00 0.29 C ATOM 971 CG TYR A 69 -14.811 6.720 -2.151 1.00 0.28 C ATOM 972 CD1 TYR A 69 -14.250 6.405 -0.922 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.693 7.787 -2.223 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.567 7.135 0.211 1.00 0.27 C ATOM 975 CE2 TYR A 69 -16.011 8.521 -1.102 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.450 8.190 0.110 1.00 0.30 C ATOM 977 OH TYR A 69 -15.778 8.911 1.228 1.00 0.33 O ATOM 0 H TYR A 69 -15.062 4.472 -5.332 1.00 0.28 H new ATOM 0 HA TYR A 69 -14.082 3.903 -2.701 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.412 5.987 -3.579 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -14.999 6.337 -4.237 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.557 5.580 -0.848 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.137 8.047 -3.172 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -14.127 6.881 1.164 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.697 9.352 -1.174 1.00 0.32 H new ATOM 0 HH TYR A 69 -16.385 9.639 0.981 1.00 0.33 H new ATOM 987 N SER A 70 -16.026 3.778 -1.246 1.00 0.25 N ATOM 988 CA SER A 70 -17.107 3.826 -0.281 1.00 0.27 C ATOM 989 C SER A 70 -16.512 4.036 1.102 1.00 0.29 C ATOM 990 O SER A 70 -15.659 3.263 1.538 1.00 0.28 O ATOM 991 CB SER A 70 -17.962 2.554 -0.328 1.00 0.30 C ATOM 992 OG SER A 70 -17.558 1.706 -1.393 1.00 0.99 O ATOM 0 H SER A 70 -15.183 3.310 -0.913 1.00 0.25 H new ATOM 0 HA SER A 70 -17.770 4.656 -0.526 1.00 0.27 H new ATOM 0 HB2 SER A 70 -17.877 2.020 0.618 1.00 0.30 H new ATOM 0 HB3 SER A 70 -19.012 2.822 -0.450 1.00 0.30 H new ATOM 0 HG SER A 70 -18.117 0.901 -1.401 1.00 0.99 H new ATOM 998 N SER A 71 -16.941 5.091 1.774 1.00 0.36 N ATOM 999 CA SER A 71 -16.403 5.446 3.078 1.00 0.42 C ATOM 1000 C SER A 71 -16.732 4.391 4.133 1.00 0.43 C ATOM 1001 O SER A 71 -16.122 4.361 5.204 1.00 0.50 O ATOM 1002 CB SER A 71 -16.933 6.809 3.490 1.00 0.50 C ATOM 1003 OG SER A 71 -18.305 6.946 3.153 1.00 0.54 O ATOM 0 H SER A 71 -17.667 5.722 1.435 1.00 0.36 H new ATOM 0 HA SER A 71 -15.317 5.490 3.002 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.804 6.944 4.564 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.355 7.591 2.999 1.00 0.50 H new ATOM 0 HG SER A 71 -18.623 7.831 3.430 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.685 3.524 3.818 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.087 2.458 4.722 1.00 0.43 C ATOM 1011 C ALA A 72 -17.500 1.114 4.299 1.00 0.40 C ATOM 1012 O ALA A 72 -17.655 0.113 4.999 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.599 2.370 4.773 1.00 0.47 C ATOM 0 H ALA A 72 -18.197 3.540 2.936 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.701 2.694 5.714 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.894 1.570 5.452 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.007 3.316 5.129 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -19.985 2.161 3.775 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.824 1.086 3.159 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.295 -0.160 2.636 1.00 0.30 C ATOM 1021 C ASN A 73 -14.952 -0.475 3.265 1.00 0.33 C ATOM 1022 O ASN A 73 -14.077 0.388 3.334 1.00 0.47 O ATOM 1023 CB ASN A 73 -16.155 -0.095 1.123 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.993 -1.154 0.428 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -18.043 -1.563 0.932 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.550 -1.601 -0.735 1.00 0.95 N ATOM 0 H ASN A 73 -16.631 1.906 2.584 1.00 0.32 H new ATOM 0 HA ASN A 73 -16.998 -0.954 2.887 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.456 0.893 0.773 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -15.108 -0.225 0.850 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -17.081 -2.307 -1.246 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -15.678 -1.240 -1.121 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.788 -1.704 3.725 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.545 -2.112 4.353 1.00 0.35 C ATOM 1035 C ARG A 74 -12.473 -2.327 3.301 1.00 0.27 C ATOM 1036 O ARG A 74 -12.526 -3.277 2.521 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.752 -3.390 5.163 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.609 -3.199 6.404 1.00 0.73 C ATOM 1039 CD ARG A 74 -13.878 -2.394 7.464 1.00 1.02 C ATOM 1040 NE ARG A 74 -14.732 -2.076 8.607 1.00 1.49 N ATOM 1041 CZ ARG A 74 -14.304 -2.025 9.868 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.053 -2.358 10.166 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -15.130 -1.657 10.837 1.00 2.50 N ATOM 0 H ARG A 74 -15.499 -2.434 3.675 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.221 -1.321 5.029 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.216 -4.142 4.525 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.779 -3.781 5.461 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.535 -2.691 6.134 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -14.886 -4.172 6.810 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.009 -2.955 7.808 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.506 -1.469 7.023 1.00 1.02 H new ATOM 0 HE ARG A 74 -15.717 -1.881 8.428 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -12.415 -2.655 9.428 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -12.731 -2.317 11.133 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.096 -1.412 10.618 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -14.800 -1.619 11.801 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.510 -1.427 3.282 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.364 -1.545 2.403 1.00 0.14 C ATOM 1059 C TYR A 75 -9.099 -1.554 3.225 1.00 0.13 C ATOM 1060 O TYR A 75 -8.816 -0.612 3.961 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.317 -0.401 1.398 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.454 -0.410 0.418 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.775 -1.566 -0.261 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.205 0.733 0.171 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.808 -1.595 -1.161 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.247 0.712 -0.735 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.543 -0.457 -1.399 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.581 -0.494 -2.303 1.00 0.35 O ATOM 0 H TYR A 75 -11.500 -0.596 3.873 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.453 -2.479 1.847 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.322 0.546 1.938 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.376 -0.450 0.850 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.203 -2.464 -0.081 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.971 1.649 0.694 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -13.045 -2.510 -1.683 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.825 1.605 -0.921 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.466 0.222 -2.962 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.361 -2.628 3.109 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.113 -2.786 3.813 1.00 0.13 C ATOM 1080 C ALA A 76 -6.028 -3.176 2.841 1.00 0.12 C ATOM 1081 O ALA A 76 -6.295 -3.468 1.681 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.226 -3.817 4.913 1.00 0.16 C ATOM 0 H ALA A 76 -8.610 -3.423 2.520 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.860 -1.833 4.278 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.267 -3.911 5.423 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -7.988 -3.505 5.627 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.504 -4.779 4.483 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.805 -3.151 3.303 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.678 -3.431 2.455 1.00 0.13 C ATOM 1090 C ALA A 77 -2.607 -4.128 3.249 1.00 0.14 C ATOM 1091 O ALA A 77 -2.640 -4.123 4.470 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.150 -2.148 1.847 1.00 0.12 C ATOM 0 H ALA A 77 -4.564 -2.937 4.271 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.992 -4.087 1.643 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.297 -2.373 1.207 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.934 -1.677 1.254 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.839 -1.470 2.642 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.684 -4.741 2.552 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.567 -5.404 3.174 1.00 0.16 C ATOM 1100 C ARG A 78 0.616 -5.392 2.219 1.00 0.14 C ATOM 1101 O ARG A 78 0.548 -5.928 1.113 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.943 -6.831 3.576 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.219 -7.736 2.422 1.00 0.56 C ATOM 1104 CD ARG A 78 -0.237 -8.874 2.473 1.00 1.56 C ATOM 1105 NE ARG A 78 -0.672 -9.930 3.380 1.00 2.06 N ATOM 1106 CZ ARG A 78 0.136 -10.590 4.208 1.00 2.77 C ATOM 1107 NH1 ARG A 78 1.424 -10.282 4.281 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -0.354 -11.561 4.967 1.00 3.35 N ATOM 0 H ARG A 78 -1.687 -4.794 1.533 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.289 -4.873 4.085 1.00 0.16 H new ATOM 0 HB2 ARG A 78 -0.134 -7.255 4.171 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.825 -6.796 4.216 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -2.241 -8.113 2.470 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.123 -7.193 1.482 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -0.107 -9.286 1.472 1.00 1.56 H new ATOM 0 HD3 ARG A 78 0.736 -8.500 2.792 1.00 1.56 H new ATOM 0 HE ARG A 78 -1.661 -10.180 3.380 1.00 2.06 H new ATOM 0 HH11 ARG A 78 1.803 -9.534 3.700 1.00 3.25 H new ATOM 0 HH12 ARG A 78 2.035 -10.793 4.918 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -1.345 -11.799 4.915 1.00 3.35 H new ATOM 0 HH22 ARG A 78 0.260 -12.070 5.603 1.00 3.35 H new ATOM 1122 N LEU A 79 1.686 -4.740 2.616 1.00 0.17 N ATOM 1123 CA LEU A 79 2.852 -4.680 1.766 1.00 0.15 C ATOM 1124 C LEU A 79 4.021 -5.356 2.438 1.00 0.15 C ATOM 1125 O LEU A 79 4.465 -4.944 3.503 1.00 0.22 O ATOM 1126 CB LEU A 79 3.220 -3.244 1.402 1.00 0.16 C ATOM 1127 CG LEU A 79 3.822 -3.077 0.000 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.096 -1.615 -0.299 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.086 -3.919 -0.164 1.00 0.16 C ATOM 0 H LEU A 79 1.773 -4.251 3.507 1.00 0.17 H new ATOM 0 HA LEU A 79 2.609 -5.204 0.842 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.327 -2.623 1.476 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.932 -2.867 2.137 1.00 0.16 H new ATOM 0 HG LEU A 79 3.091 -3.438 -0.723 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.522 -1.522 -1.298 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.164 -1.052 -0.248 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.799 -1.219 0.434 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.489 -3.779 -1.167 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.828 -3.608 0.571 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.844 -4.971 -0.013 1.00 0.16 H new ATOM 1141 N ASP A 80 4.503 -6.392 1.798 1.00 0.12 N ATOM 1142 CA ASP A 80 5.674 -7.095 2.254 1.00 0.12 C ATOM 1143 C ASP A 80 6.876 -6.630 1.451 1.00 0.11 C ATOM 1144 O ASP A 80 6.929 -6.804 0.244 1.00 0.15 O ATOM 1145 CB ASP A 80 5.476 -8.601 2.096 1.00 0.15 C ATOM 1146 CG ASP A 80 4.390 -9.160 2.994 1.00 1.16 C ATOM 1147 OD1 ASP A 80 3.209 -9.161 2.579 1.00 2.22 O ATOM 1148 OD2 ASP A 80 4.710 -9.583 4.128 1.00 1.06 O ATOM 0 H ASP A 80 4.093 -6.772 0.945 1.00 0.12 H new ATOM 0 HA ASP A 80 5.842 -6.882 3.310 1.00 0.12 H new ATOM 0 HB2 ASP A 80 5.228 -8.821 1.058 1.00 0.15 H new ATOM 0 HB3 ASP A 80 6.415 -9.109 2.314 1.00 0.15 H new ATOM 1153 N VAL A 81 7.826 -5.996 2.094 1.00 0.09 N ATOM 1154 CA VAL A 81 9.023 -5.591 1.392 1.00 0.10 C ATOM 1155 C VAL A 81 10.145 -6.550 1.724 1.00 0.12 C ATOM 1156 O VAL A 81 10.673 -6.533 2.827 1.00 0.13 O ATOM 1157 CB VAL A 81 9.462 -4.159 1.742 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.557 -3.699 0.803 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.284 -3.198 1.711 1.00 0.09 C ATOM 0 H VAL A 81 7.798 -5.752 3.084 1.00 0.09 H new ATOM 0 HA VAL A 81 8.796 -5.610 0.326 1.00 0.10 H new ATOM 0 HB VAL A 81 9.856 -4.165 2.758 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.857 -2.684 1.063 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.415 -4.365 0.891 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.188 -3.716 -0.222 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.627 -2.194 1.963 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.845 -3.192 0.713 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.534 -3.518 2.435 1.00 0.09 H new ATOM 1169 N SER A 82 10.491 -7.390 0.773 1.00 0.14 N ATOM 1170 CA SER A 82 11.570 -8.335 0.948 1.00 0.17 C ATOM 1171 C SER A 82 12.567 -8.160 -0.184 1.00 0.20 C ATOM 1172 O SER A 82 12.244 -8.373 -1.356 1.00 0.25 O ATOM 1173 CB SER A 82 11.052 -9.756 0.958 1.00 0.21 C ATOM 1174 OG SER A 82 12.001 -10.655 1.516 1.00 0.82 O ATOM 0 H SER A 82 10.035 -7.437 -0.138 1.00 0.14 H new ATOM 0 HA SER A 82 12.052 -8.145 1.907 1.00 0.17 H new ATOM 0 HB2 SER A 82 10.126 -9.802 1.531 1.00 0.21 H new ATOM 0 HB3 SER A 82 10.813 -10.064 -0.060 1.00 0.21 H new ATOM 0 HG SER A 82 12.239 -10.360 2.420 1.00 0.82 H new ATOM 1180 N PHE A 83 13.759 -7.751 0.172 1.00 0.21 N ATOM 1181 CA PHE A 83 14.796 -7.459 -0.799 1.00 0.24 C ATOM 1182 C PHE A 83 16.168 -7.570 -0.150 1.00 0.24 C ATOM 1183 O PHE A 83 16.588 -6.686 0.597 1.00 0.23 O ATOM 1184 CB PHE A 83 14.579 -6.062 -1.397 1.00 0.26 C ATOM 1185 CG PHE A 83 15.705 -5.588 -2.273 1.00 0.27 C ATOM 1186 CD1 PHE A 83 16.048 -6.278 -3.425 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.426 -4.455 -1.935 1.00 0.29 C ATOM 1188 CE1 PHE A 83 17.088 -5.844 -4.224 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.469 -4.018 -2.729 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.800 -4.714 -3.876 1.00 0.34 C ATOM 0 H PHE A 83 14.043 -7.610 1.142 1.00 0.21 H new ATOM 0 HA PHE A 83 14.744 -8.187 -1.608 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.657 -6.067 -1.979 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.440 -5.348 -0.585 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.496 -7.164 -3.701 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.170 -3.907 -1.040 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.344 -6.389 -5.121 1.00 0.34 H new ATOM 0 HE2 PHE A 83 18.025 -3.134 -2.454 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.614 -4.374 -4.499 1.00 0.34 H new ATOM 1200 N GLY A 84 16.849 -8.672 -0.416 1.00 0.30 N ATOM 1201 CA GLY A 84 18.166 -8.883 0.143 1.00 0.34 C ATOM 1202 C GLY A 84 18.148 -9.000 1.653 1.00 0.34 C ATOM 1203 O GLY A 84 17.754 -10.030 2.200 1.00 0.41 O ATOM 0 H GLY A 84 16.511 -9.428 -1.012 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.596 -9.790 -0.283 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.815 -8.057 -0.146 1.00 0.34 H new ATOM 1207 N SER A 85 18.558 -7.939 2.327 1.00 0.32 N ATOM 1208 CA SER A 85 18.653 -7.941 3.774 1.00 0.36 C ATOM 1209 C SER A 85 17.407 -7.347 4.433 1.00 0.31 C ATOM 1210 O SER A 85 17.240 -7.439 5.651 1.00 0.35 O ATOM 1211 CB SER A 85 19.898 -7.187 4.201 1.00 0.43 C ATOM 1212 OG SER A 85 19.985 -5.925 3.559 1.00 0.42 O ATOM 0 H SER A 85 18.832 -7.059 1.890 1.00 0.32 H new ATOM 0 HA SER A 85 18.722 -8.976 4.107 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.887 -7.047 5.282 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.782 -7.779 3.965 1.00 0.43 H new ATOM 0 HG SER A 85 20.796 -5.462 3.856 1.00 0.42 H new ATOM 1218 N VAL A 86 16.527 -6.748 3.638 1.00 0.24 N ATOM 1219 CA VAL A 86 15.310 -6.166 4.186 1.00 0.20 C ATOM 1220 C VAL A 86 14.117 -7.093 3.979 1.00 0.17 C ATOM 1221 O VAL A 86 13.966 -7.702 2.919 1.00 0.18 O ATOM 1222 CB VAL A 86 14.993 -4.774 3.575 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.597 -4.878 2.109 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.900 -4.084 4.377 1.00 0.19 C ATOM 0 H VAL A 86 16.631 -6.654 2.628 1.00 0.24 H new ATOM 0 HA VAL A 86 15.488 -6.035 5.253 1.00 0.20 H new ATOM 0 HB VAL A 86 15.902 -4.174 3.625 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.383 -3.883 1.718 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.415 -5.322 1.542 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.709 -5.503 2.015 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.687 -3.109 3.938 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.997 -4.694 4.361 1.00 0.19 H new ATOM 0 HG23 VAL A 86 14.232 -3.954 5.407 1.00 0.19 H new ATOM 1234 N THR A 87 13.302 -7.238 5.014 1.00 0.17 N ATOM 1235 CA THR A 87 12.016 -7.907 4.898 1.00 0.17 C ATOM 1236 C THR A 87 11.068 -7.383 5.969 1.00 0.15 C ATOM 1237 O THR A 87 11.317 -7.525 7.168 1.00 0.18 O ATOM 1238 CB THR A 87 12.134 -9.438 5.014 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.121 -9.927 4.095 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.800 -10.084 4.699 1.00 0.23 C ATOM 0 H THR A 87 13.512 -6.897 5.952 1.00 0.17 H new ATOM 0 HA THR A 87 11.624 -7.687 3.905 1.00 0.17 H new ATOM 0 HB THR A 87 12.431 -9.688 6.033 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.273 -9.261 3.393 1.00 0.25 H new ATOM 0 HG21 THR A 87 10.891 -11.167 4.783 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.048 -9.727 5.403 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.500 -9.823 3.684 1.00 0.23 H new ATOM 1248 N ILE A 88 9.981 -6.778 5.521 1.00 0.12 N ATOM 1249 CA ILE A 88 9.035 -6.094 6.397 1.00 0.11 C ATOM 1250 C ILE A 88 7.631 -6.215 5.838 1.00 0.10 C ATOM 1251 O ILE A 88 7.455 -6.660 4.704 1.00 0.11 O ATOM 1252 CB ILE A 88 9.356 -4.605 6.541 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.110 -3.907 5.217 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.787 -4.393 7.009 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.457 -2.445 5.240 1.00 0.09 C ATOM 0 H ILE A 88 9.725 -6.745 4.534 1.00 0.12 H new ATOM 0 HA ILE A 88 9.111 -6.569 7.375 1.00 0.11 H new ATOM 0 HB ILE A 88 8.701 -4.175 7.299 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.695 -4.400 4.441 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.061 -4.020 4.945 1.00 0.09 H new ATOM 0 HG21 ILE A 88 10.985 -3.325 7.102 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.928 -4.874 7.977 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.475 -4.828 6.284 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.257 -2.008 4.262 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.853 -1.940 5.994 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.513 -2.325 5.482 1.00 0.09 H new ATOM 1267 N GLN A 89 6.638 -5.855 6.629 1.00 0.11 N ATOM 1268 CA GLN A 89 5.271 -5.817 6.144 1.00 0.14 C ATOM 1269 C GLN A 89 4.453 -4.768 6.896 1.00 0.14 C ATOM 1270 O GLN A 89 4.759 -4.422 8.039 1.00 0.20 O ATOM 1271 CB GLN A 89 4.607 -7.187 6.276 1.00 0.22 C ATOM 1272 CG GLN A 89 4.555 -7.707 7.702 1.00 0.68 C ATOM 1273 CD GLN A 89 3.839 -9.037 7.822 1.00 1.04 C ATOM 1274 OE1 GLN A 89 3.239 -9.342 8.854 1.00 1.53 O ATOM 1275 NE2 GLN A 89 3.879 -9.835 6.769 1.00 1.88 N ATOM 0 H GLN A 89 6.751 -5.586 7.606 1.00 0.11 H new ATOM 0 HA GLN A 89 5.303 -5.544 5.089 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.592 -7.128 5.883 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.147 -7.904 5.657 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.571 -7.812 8.082 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.054 -6.973 8.333 1.00 0.68 H new ATOM 0 HE21 GLN A 89 4.386 -9.549 5.931 1.00 1.88 H new ATOM 0 HE22 GLN A 89 3.403 -10.737 6.794 1.00 1.88 H new ATOM 1284 N CYS A 90 3.426 -4.263 6.235 1.00 0.20 N ATOM 1285 CA CYS A 90 2.505 -3.297 6.823 1.00 0.21 C ATOM 1286 C CYS A 90 1.087 -3.614 6.379 1.00 0.23 C ATOM 1287 O CYS A 90 0.893 -4.319 5.393 1.00 0.31 O ATOM 1288 CB CYS A 90 2.896 -1.878 6.406 1.00 0.22 C ATOM 1289 SG CYS A 90 3.656 -1.798 4.756 1.00 0.97 S ATOM 0 H CYS A 90 3.204 -4.510 5.271 1.00 0.20 H new ATOM 0 HA CYS A 90 2.557 -3.361 7.910 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.009 -1.245 6.421 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.592 -1.470 7.139 1.00 0.22 H new ATOM 1294 N ASN A 91 0.103 -3.110 7.104 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.294 -3.414 6.810 1.00 0.18 C ATOM 1296 C ASN A 91 -2.180 -2.185 7.010 1.00 0.16 C ATOM 1297 O ASN A 91 -2.104 -1.511 8.036 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.781 -4.584 7.676 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.600 -4.347 9.166 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -0.535 -4.616 9.722 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -2.644 -3.874 9.830 1.00 1.82 N ATOM 0 H ASN A 91 0.242 -2.488 7.901 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.364 -3.706 5.762 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.836 -4.765 7.470 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.241 -5.487 7.391 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -2.582 -3.721 10.837 1.00 1.82 H new ATOM 0 HD22 ASN A 91 -3.510 -3.663 9.335 1.00 1.82 H new ATOM 1308 N LEU A 92 -3.009 -1.891 6.009 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.840 -0.687 6.021 1.00 0.13 C ATOM 1310 C LEU A 92 -5.016 -0.824 6.981 1.00 0.14 C ATOM 1311 O LEU A 92 -5.742 -1.817 6.950 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.372 -0.352 4.616 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.609 0.552 4.583 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.289 1.955 5.078 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.178 0.630 3.188 1.00 0.12 C ATOM 0 H LEU A 92 -3.123 -2.471 5.178 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.198 0.126 6.361 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.575 0.129 4.049 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.610 -1.284 4.104 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.348 0.109 5.250 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.189 2.568 5.041 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.927 1.905 6.105 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.522 2.398 4.444 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -7.055 1.277 3.189 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.427 1.037 2.511 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.463 -0.368 2.855 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.185 0.173 7.841 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.399 0.306 8.636 1.00 0.19 C ATOM 1329 C ASP A 93 -7.506 0.893 7.772 1.00 0.17 C ATOM 1330 O ASP A 93 -7.432 2.055 7.373 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.166 1.204 9.856 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.607 0.451 11.046 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -6.401 -0.096 11.838 1.00 2.13 O ATOM 1334 OD2 ASP A 93 -4.367 0.389 11.187 1.00 1.02 O ATOM 0 H ASP A 93 -4.493 0.904 8.006 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.688 -0.683 8.992 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.479 2.005 9.585 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.108 1.674 10.140 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.544 0.102 7.452 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.638 0.553 6.584 1.00 0.19 C ATOM 1341 C PRO A 94 -10.336 1.792 7.125 1.00 0.23 C ATOM 1342 O PRO A 94 -10.974 2.536 6.381 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.610 -0.630 6.568 1.00 0.24 C ATOM 1344 CG PRO A 94 -9.795 -1.808 6.961 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.732 -1.292 7.891 1.00 0.21 C ATOM 0 HA PRO A 94 -9.271 0.833 5.597 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.434 -0.472 7.263 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -11.048 -0.766 5.579 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.411 -2.561 7.453 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -9.350 -2.283 6.086 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -9.048 -1.346 8.933 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -7.810 -1.868 7.807 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.186 2.025 8.422 1.00 0.26 N ATOM 1354 CA GLU A 95 -10.775 3.162 9.077 1.00 0.34 C ATOM 1355 C GLU A 95 -10.082 4.463 8.676 1.00 0.32 C ATOM 1356 O GLU A 95 -10.442 5.541 9.147 1.00 0.46 O ATOM 1357 CB GLU A 95 -10.699 2.945 10.566 1.00 0.44 C ATOM 1358 CG GLU A 95 -11.664 1.907 11.070 1.00 0.69 C ATOM 1359 CD GLU A 95 -11.484 1.589 12.538 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -10.521 0.871 12.881 1.00 1.42 O ATOM 1361 OE2 GLU A 95 -12.308 2.040 13.356 1.00 1.21 O ATOM 0 H GLU A 95 -9.648 1.421 9.044 1.00 0.26 H new ATOM 0 HA GLU A 95 -11.816 3.256 8.769 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -9.685 2.646 10.830 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -10.895 3.889 11.074 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -12.683 2.256 10.903 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -11.541 0.993 10.489 1.00 0.69 H new ATOM 1368 N THR A 96 -9.098 4.362 7.797 1.00 0.23 N ATOM 1369 CA THR A 96 -8.387 5.527 7.322 1.00 0.24 C ATOM 1370 C THR A 96 -8.868 5.955 5.933 1.00 0.23 C ATOM 1371 O THR A 96 -8.619 7.083 5.499 1.00 0.30 O ATOM 1372 CB THR A 96 -6.884 5.268 7.276 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.585 4.334 6.241 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.390 4.728 8.610 1.00 0.31 C ATOM 0 H THR A 96 -8.776 3.479 7.400 1.00 0.23 H new ATOM 0 HA THR A 96 -8.594 6.333 8.026 1.00 0.24 H new ATOM 0 HB THR A 96 -6.378 6.212 7.073 1.00 0.25 H new ATOM 0 HG1 THR A 96 -7.104 3.514 6.380 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.316 4.550 8.555 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.598 5.454 9.396 1.00 0.31 H new ATOM 0 HG23 THR A 96 -6.902 3.792 8.836 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.541 5.033 5.237 1.00 0.20 N ATOM 1383 CA VAL A 97 -10.178 5.312 3.936 1.00 0.23 C ATOM 1384 C VAL A 97 -11.100 6.544 3.991 1.00 0.29 C ATOM 1385 O VAL A 97 -11.484 7.087 2.955 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.996 4.089 3.446 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.722 4.377 2.129 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -10.096 2.871 3.294 1.00 0.51 C ATOM 0 H VAL A 97 -9.662 4.072 5.555 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.369 5.519 3.235 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.753 3.882 4.202 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.283 3.494 1.822 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.408 5.213 2.267 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.993 4.630 1.359 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.687 2.023 2.949 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.312 3.086 2.568 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.643 2.631 4.256 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.436 6.994 5.195 1.00 0.29 N ATOM 1399 CA LYS A 98 -12.356 8.109 5.366 1.00 0.38 C ATOM 1400 C LYS A 98 -11.712 9.431 4.977 1.00 0.40 C ATOM 1401 O LYS A 98 -11.411 10.263 5.835 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.881 8.209 6.796 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.933 7.176 7.171 1.00 0.71 C ATOM 1404 CD LYS A 98 -13.303 5.964 7.813 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.810 4.974 6.787 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.809 3.915 6.490 1.00 2.40 N ATOM 0 H LYS A 98 -11.083 6.602 6.068 1.00 0.29 H new ATOM 0 HA LYS A 98 -13.196 7.910 4.701 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -12.040 8.114 7.483 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -13.302 9.204 6.943 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -14.655 7.620 7.857 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.484 6.874 6.280 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -12.471 6.279 8.443 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -14.030 5.479 8.464 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -12.562 5.503 5.867 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.891 4.511 7.146 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -13.385 3.206 5.858 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -14.104 3.458 7.376 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.638 4.340 6.027 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.498 9.602 3.678 1.00 0.47 N ATOM 1421 CA LEU A 99 -11.039 10.864 3.122 1.00 0.58 C ATOM 1422 C LEU A 99 -9.696 11.281 3.712 1.00 0.73 C ATOM 1423 O LEU A 99 -9.567 12.367 4.280 1.00 1.33 O ATOM 1424 CB LEU A 99 -12.086 11.952 3.352 1.00 0.53 C ATOM 1425 CG LEU A 99 -13.371 11.843 2.519 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -13.047 11.694 1.040 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -14.242 10.689 2.995 1.00 0.76 C ATOM 0 H LEU A 99 -11.638 8.869 2.983 1.00 0.47 H new ATOM 0 HA LEU A 99 -10.898 10.727 2.050 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -12.360 11.946 4.407 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -11.626 12.919 3.147 1.00 0.53 H new ATOM 0 HG LEU A 99 -13.933 12.767 2.656 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -13.973 11.619 0.470 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -12.483 12.563 0.702 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -12.453 10.793 0.887 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -15.144 10.638 2.385 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -13.689 9.754 2.903 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -14.517 10.847 4.038 1.00 0.76 H new ATOM 1439 N GLU A 100 -8.711 10.395 3.578 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.340 10.671 3.996 1.00 1.25 C ATOM 1441 C GLU A 100 -7.255 10.909 5.504 1.00 2.09 C ATOM 1442 O GLU A 100 -7.076 12.041 5.961 1.00 2.87 O ATOM 1443 CB GLU A 100 -6.787 11.877 3.235 1.00 2.15 C ATOM 1444 CG GLU A 100 -5.277 11.998 3.300 1.00 2.70 C ATOM 1445 CD GLU A 100 -4.574 10.866 2.583 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -4.567 10.861 1.336 1.00 4.13 O ATOM 1447 OE2 GLU A 100 -4.020 9.978 3.258 1.00 4.09 O ATOM 0 H GLU A 100 -8.842 9.466 3.177 1.00 1.05 H new ATOM 0 HA GLU A 100 -6.735 9.795 3.761 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -7.093 11.808 2.191 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -7.233 12.786 3.638 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -4.972 12.947 2.860 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -4.962 12.015 4.343 1.00 2.70 H new ATOM 1454 N HIS A 101 -7.394 9.840 6.274 1.00 2.68 N ATOM 1455 CA HIS A 101 -7.256 9.922 7.720 1.00 3.89 C ATOM 1456 C HIS A 101 -5.934 9.299 8.149 1.00 4.59 C ATOM 1457 O HIS A 101 -5.875 8.063 8.296 1.00 5.06 O ATOM 1458 CB HIS A 101 -8.435 9.229 8.419 1.00 4.61 C ATOM 1459 CG HIS A 101 -8.345 9.233 9.920 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -8.797 10.274 10.703 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -7.855 8.309 10.781 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -8.588 9.990 11.976 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -8.018 8.804 12.049 1.00 6.64 N ATOM 0 H HIS A 101 -7.602 8.906 5.921 1.00 2.68 H new ATOM 0 HA HIS A 101 -7.262 10.971 8.014 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -9.361 9.720 8.120 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -8.494 8.198 8.072 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -7.417 7.358 10.517 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -8.841 10.622 12.814 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -7.743 8.331 12.910 1.00 6.64 H new TER 1472 HIS A 101