USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 907 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 86 ASN : amide:sc= -3.84! C(o=-3.9!,f=-6.8!) USER MOD Set 1.2: A 108 GLN : amide:sc= -0.0492 X(o=-3.9,f=-3.8) USER MOD Set 2.1: A 45 SER OG : rot 20:sc= -4.7! USER MOD Set 2.2: A 95 ASN : amide:sc= -10.3! C(o=-15!,f=-21!) USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= 0 F(o=-2.2,f=-0.63) USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -0.635 F(o=-2.5!,f=-0.63) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 1.23 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 57:sc= 0.108 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 40:sc= 0.38 USER MOD Single : A 28 GLN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.86! C(o=-1.9!,f=-3.3!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.03 F(o=-1.6!,f=-1) USER MOD Single : A 48 THR OG1 : rot -24:sc= -1.14 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -155:sc= -0.159 (180deg=-0.852) USER MOD Single : A 59 HIS : no HE2:sc= -3.85! C(o=-3.8!,f=-12!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.455 K(o=-0.45,f=-2.1!) USER MOD Single : A 66 HIS : no HD1:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 67 GLN :FLIP amide:sc= -0.696 F(o=-1.2,f=-0.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0722 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN :FLIP amide:sc= -7.68! C(o=-12!,f=-7.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 36:sc= 0.331 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.301 K(o=-0.3,f=-5.4!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -110:sc= -1.28 USER MOD Single : A 88 SER OG : rot -101:sc= 0.968 USER MOD Single : A 92 MET CE :methyl 157:sc= -4.91! (180deg=-6.7!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -164:sc= 0.791 USER MOD Single : A 103 SER OG : rot 120:sc= -0.13 USER MOD Single : A 106 SER OG : rot -20:sc= -2.84! USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -167:sc= 0.496 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.97) USER MOD Single : A 121 THR OG1 : rot -97:sc= 0.0848 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.999 9.458 7.556 1.00 0.00 N ATOM 2 CA GLY A 1 -29.942 8.012 7.688 1.00 0.00 C ATOM 3 C GLY A 1 -31.303 7.381 7.388 1.00 0.00 C ATOM 4 O GLY A 1 -32.253 7.556 8.149 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.064 9.863 7.764 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.276 9.707 6.585 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.698 9.840 8.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.192 7.610 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.629 7.747 8.698 1.00 0.00 H new ATOM 8 N SER A 2 -31.353 6.659 6.278 1.00 0.00 N ATOM 9 CA SER A 2 -32.581 6.000 5.869 1.00 0.00 C ATOM 10 C SER A 2 -32.305 5.060 4.694 1.00 0.00 C ATOM 11 O SER A 2 -31.256 5.149 4.057 1.00 0.00 O ATOM 12 CB SER A 2 -33.654 7.023 5.489 1.00 0.00 C ATOM 13 OG SER A 2 -34.412 7.446 6.619 1.00 0.00 O ATOM 0 H SER A 2 -30.563 6.516 5.649 1.00 0.00 H new ATOM 0 HA SER A 2 -32.954 5.418 6.712 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.181 7.889 5.025 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.323 6.588 4.746 1.00 0.00 H new ATOM 0 HG SER A 2 -33.815 7.570 7.386 1.00 0.00 H new ATOM 19 N SER A 3 -33.263 4.182 4.442 1.00 0.00 N ATOM 20 CA SER A 3 -33.136 3.226 3.354 1.00 0.00 C ATOM 21 C SER A 3 -34.427 2.417 3.215 1.00 0.00 C ATOM 22 O SER A 3 -35.335 2.544 4.035 1.00 0.00 O ATOM 23 CB SER A 3 -31.945 2.292 3.578 1.00 0.00 C ATOM 24 OG SER A 3 -32.261 1.231 4.475 1.00 0.00 O ATOM 0 H SER A 3 -34.132 4.112 4.972 1.00 0.00 H new ATOM 0 HA SER A 3 -32.961 3.779 2.431 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.626 1.876 2.622 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.105 2.863 3.974 1.00 0.00 H new ATOM 0 HG SER A 3 -31.476 0.656 4.591 1.00 0.00 H new ATOM 30 N GLY A 4 -34.467 1.601 2.171 1.00 0.00 N ATOM 31 CA GLY A 4 -35.631 0.771 1.914 1.00 0.00 C ATOM 32 C GLY A 4 -35.525 0.085 0.551 1.00 0.00 C ATOM 33 O GLY A 4 -35.400 0.752 -0.475 1.00 0.00 O ATOM 0 H GLY A 4 -33.712 1.497 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.726 0.019 2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -36.533 1.382 1.948 1.00 0.00 H new ATOM 37 N SER A 5 -35.580 -1.238 0.584 1.00 0.00 N ATOM 38 CA SER A 5 -35.492 -2.022 -0.636 1.00 0.00 C ATOM 39 C SER A 5 -35.701 -3.504 -0.323 1.00 0.00 C ATOM 40 O SER A 5 -35.078 -4.043 0.591 1.00 0.00 O ATOM 41 CB SER A 5 -34.144 -1.811 -1.330 1.00 0.00 C ATOM 42 OG SER A 5 -34.277 -1.068 -2.539 1.00 0.00 O ATOM 0 H SER A 5 -35.684 -1.787 1.437 1.00 0.00 H new ATOM 0 HA SER A 5 -36.277 -1.687 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 5 -33.467 -1.287 -0.655 1.00 0.00 H new ATOM 0 HB3 SER A 5 -33.692 -2.779 -1.547 1.00 0.00 H new ATOM 0 HG SER A 5 -34.704 -0.207 -2.348 1.00 0.00 H new ATOM 48 N SER A 6 -36.581 -4.122 -1.098 1.00 0.00 N ATOM 49 CA SER A 6 -36.880 -5.532 -0.914 1.00 0.00 C ATOM 50 C SER A 6 -36.009 -6.377 -1.845 1.00 0.00 C ATOM 51 O SER A 6 -35.152 -7.131 -1.384 1.00 0.00 O ATOM 52 CB SER A 6 -38.362 -5.818 -1.168 1.00 0.00 C ATOM 53 OG SER A 6 -38.939 -6.605 -0.130 1.00 0.00 O ATOM 0 H SER A 6 -37.096 -3.672 -1.854 1.00 0.00 H new ATOM 0 HA SER A 6 -36.659 -5.797 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 6 -38.904 -4.876 -1.253 1.00 0.00 H new ATOM 0 HB3 SER A 6 -38.473 -6.336 -2.120 1.00 0.00 H new ATOM 0 HG SER A 6 -39.885 -6.764 -0.328 1.00 0.00 H new ATOM 59 N GLY A 7 -36.258 -6.224 -3.137 1.00 0.00 N ATOM 60 CA GLY A 7 -35.506 -6.965 -4.136 1.00 0.00 C ATOM 61 C GLY A 7 -36.218 -8.268 -4.503 1.00 0.00 C ATOM 62 O GLY A 7 -36.992 -8.802 -3.710 1.00 0.00 O ATOM 0 H GLY A 7 -36.969 -5.598 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -35.378 -6.352 -5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.509 -7.186 -3.756 1.00 0.00 H new ATOM 66 N PRO A 8 -35.924 -8.756 -5.738 1.00 0.00 N ATOM 67 CA PRO A 8 -36.527 -9.987 -6.220 1.00 0.00 C ATOM 68 C PRO A 8 -35.894 -11.207 -5.549 1.00 0.00 C ATOM 69 O PRO A 8 -34.670 -11.328 -5.499 1.00 0.00 O ATOM 70 CB PRO A 8 -36.321 -9.963 -7.726 1.00 0.00 C ATOM 71 CG PRO A 8 -35.209 -8.957 -7.978 1.00 0.00 C ATOM 72 CD PRO A 8 -35.012 -8.151 -6.705 1.00 0.00 C ATOM 0 HA PRO A 8 -37.587 -10.059 -5.978 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -36.047 -10.950 -8.099 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -37.236 -9.671 -8.241 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -34.286 -9.469 -8.252 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -35.469 -8.301 -8.809 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -33.979 -8.201 -6.360 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -35.244 -7.098 -6.863 1.00 0.00 H new ATOM 80 N THR A 9 -36.755 -12.081 -5.049 1.00 0.00 N ATOM 81 CA THR A 9 -36.295 -13.288 -4.383 1.00 0.00 C ATOM 82 C THR A 9 -35.415 -14.114 -5.324 1.00 0.00 C ATOM 83 O THR A 9 -34.293 -14.475 -4.973 1.00 0.00 O ATOM 84 CB THR A 9 -37.523 -14.047 -3.877 1.00 0.00 C ATOM 85 OG1 THR A 9 -37.520 -13.814 -2.471 1.00 0.00 O ATOM 86 CG2 THR A 9 -37.369 -15.563 -4.004 1.00 0.00 C ATOM 0 H THR A 9 -37.769 -11.977 -5.092 1.00 0.00 H new ATOM 0 HA THR A 9 -35.666 -13.051 -3.525 1.00 0.00 H new ATOM 0 HB THR A 9 -38.403 -13.725 -4.434 1.00 0.00 H new ATOM 0 HG1 THR A 9 -38.285 -14.270 -2.062 1.00 0.00 H new ATOM 0 HG21 THR A 9 -38.268 -16.053 -3.631 1.00 0.00 H new ATOM 0 HG22 THR A 9 -37.220 -15.827 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 9 -36.509 -15.891 -3.421 1.00 0.00 H new ATOM 94 N PRO A 10 -35.973 -14.398 -6.531 1.00 0.00 N ATOM 95 CA PRO A 10 -35.253 -15.175 -7.525 1.00 0.00 C ATOM 96 C PRO A 10 -34.159 -14.336 -8.189 1.00 0.00 C ATOM 97 O PRO A 10 -34.306 -13.124 -8.339 1.00 0.00 O ATOM 98 CB PRO A 10 -36.316 -15.645 -8.503 1.00 0.00 C ATOM 99 CG PRO A 10 -37.515 -14.736 -8.286 1.00 0.00 C ATOM 100 CD PRO A 10 -37.301 -13.987 -6.980 1.00 0.00 C ATOM 0 HA PRO A 10 -34.725 -16.025 -7.093 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -35.958 -15.580 -9.530 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -36.579 -16.687 -8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -37.619 -14.036 -9.115 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -38.434 -15.320 -8.245 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -37.353 -12.908 -7.129 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -38.065 -14.244 -6.246 1.00 0.00 H new ATOM 108 N ALA A 11 -33.085 -15.015 -8.567 1.00 0.00 N ATOM 109 CA ALA A 11 -31.967 -14.347 -9.212 1.00 0.00 C ATOM 110 C ALA A 11 -31.073 -13.714 -8.144 1.00 0.00 C ATOM 111 O ALA A 11 -31.567 -13.101 -7.199 1.00 0.00 O ATOM 112 CB ALA A 11 -32.495 -13.319 -10.214 1.00 0.00 C ATOM 0 H ALA A 11 -32.966 -16.020 -8.439 1.00 0.00 H new ATOM 0 HA ALA A 11 -31.361 -15.062 -9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -31.656 -12.818 -10.698 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -33.100 -13.823 -10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -33.105 -12.582 -9.692 1.00 0.00 H new ATOM 118 N PRO A 12 -29.738 -13.889 -8.335 1.00 0.00 N ATOM 119 CA PRO A 12 -28.770 -13.343 -7.399 1.00 0.00 C ATOM 120 C PRO A 12 -28.631 -11.829 -7.575 1.00 0.00 C ATOM 121 O PRO A 12 -29.415 -11.210 -8.293 1.00 0.00 O ATOM 122 CB PRO A 12 -27.479 -14.094 -7.684 1.00 0.00 C ATOM 123 CG PRO A 12 -27.646 -14.698 -9.069 1.00 0.00 C ATOM 124 CD PRO A 12 -29.116 -14.610 -9.442 1.00 0.00 C ATOM 0 HA PRO A 12 -29.071 -13.474 -6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.621 -13.422 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.305 -14.869 -6.938 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -27.035 -14.162 -9.795 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.312 -15.736 -9.076 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -29.254 -14.082 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -29.553 -15.601 -9.564 1.00 0.00 H new ATOM 132 N VAL A 13 -27.629 -11.277 -6.907 1.00 0.00 N ATOM 133 CA VAL A 13 -27.378 -9.848 -6.981 1.00 0.00 C ATOM 134 C VAL A 13 -25.889 -9.583 -6.751 1.00 0.00 C ATOM 135 O VAL A 13 -25.282 -10.169 -5.856 1.00 0.00 O ATOM 136 CB VAL A 13 -28.277 -9.107 -5.989 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.490 -7.654 -6.421 1.00 0.00 C ATOM 138 CG2 VAL A 13 -29.615 -9.829 -5.816 1.00 0.00 C ATOM 0 H VAL A 13 -26.981 -11.794 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 13 -27.626 -9.468 -7.972 1.00 0.00 H new ATOM 0 HB VAL A 13 -27.773 -9.099 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -29.132 -7.150 -5.699 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -27.528 -7.144 -6.469 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -28.962 -7.632 -7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -30.235 -9.281 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -30.126 -9.883 -6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -29.439 -10.837 -5.441 1.00 0.00 H new ATOM 148 N TYR A 14 -25.343 -8.700 -7.574 1.00 0.00 N ATOM 149 CA TYR A 14 -23.937 -8.351 -7.472 1.00 0.00 C ATOM 150 C TYR A 14 -23.763 -6.868 -7.135 1.00 0.00 C ATOM 151 O TYR A 14 -24.738 -6.173 -6.855 1.00 0.00 O ATOM 152 CB TYR A 14 -23.333 -8.622 -8.851 1.00 0.00 C ATOM 153 CG TYR A 14 -23.748 -9.964 -9.459 1.00 0.00 C ATOM 154 CD1 TYR A 14 -23.067 -11.115 -9.120 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.804 -10.022 -10.346 1.00 0.00 C ATOM 156 CE1 TYR A 14 -23.457 -12.378 -9.692 1.00 0.00 C ATOM 157 CE2 TYR A 14 -25.195 -11.285 -10.918 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.502 -12.400 -10.562 1.00 0.00 C ATOM 159 OH TYR A 14 -24.871 -13.593 -11.103 1.00 0.00 O ATOM 0 H TYR A 14 -25.850 -8.216 -8.315 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.455 -8.929 -6.684 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.627 -7.821 -9.529 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.246 -8.591 -8.773 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -22.241 -11.069 -8.425 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.337 -9.121 -10.611 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.932 -13.286 -9.436 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -26.019 -11.345 -11.613 1.00 0.00 H new ATOM 0 HH TYR A 14 -25.632 -13.458 -11.705 1.00 0.00 H new ATOM 169 N ASP A 15 -22.514 -6.428 -7.174 1.00 0.00 N ATOM 170 CA ASP A 15 -22.200 -5.041 -6.876 1.00 0.00 C ATOM 171 C ASP A 15 -20.699 -4.908 -6.612 1.00 0.00 C ATOM 172 O ASP A 15 -20.291 -4.368 -5.585 1.00 0.00 O ATOM 173 CB ASP A 15 -22.943 -4.563 -5.627 1.00 0.00 C ATOM 174 CG ASP A 15 -24.257 -3.827 -5.899 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.211 -2.857 -6.686 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.276 -4.250 -5.313 1.00 0.00 O ATOM 0 H ASP A 15 -21.708 -7.007 -7.407 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.504 -4.436 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.151 -5.426 -4.994 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.285 -3.904 -5.061 1.00 0.00 H new ATOM 181 N VAL A 16 -19.917 -5.409 -7.558 1.00 0.00 N ATOM 182 CA VAL A 16 -18.470 -5.352 -7.441 1.00 0.00 C ATOM 183 C VAL A 16 -18.054 -5.875 -6.064 1.00 0.00 C ATOM 184 O VAL A 16 -18.875 -5.956 -5.152 1.00 0.00 O ATOM 185 CB VAL A 16 -17.978 -3.930 -7.714 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.299 -3.504 -9.148 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.566 -2.942 -6.704 1.00 0.00 C ATOM 0 H VAL A 16 -20.259 -5.856 -8.409 1.00 0.00 H new ATOM 0 HA VAL A 16 -18.001 -5.992 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.894 -3.923 -7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.938 -2.489 -9.315 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.810 -4.183 -9.847 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.377 -3.536 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.200 -1.939 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.654 -2.954 -6.774 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.264 -3.228 -5.697 1.00 0.00 H new ATOM 197 N PRO A 17 -16.744 -6.224 -5.954 1.00 0.00 N ATOM 198 CA PRO A 17 -16.209 -6.737 -4.704 1.00 0.00 C ATOM 199 C PRO A 17 -16.030 -5.612 -3.682 1.00 0.00 C ATOM 200 O PRO A 17 -15.307 -4.650 -3.934 1.00 0.00 O ATOM 201 CB PRO A 17 -14.899 -7.408 -5.084 1.00 0.00 C ATOM 202 CG PRO A 17 -14.521 -6.847 -6.445 1.00 0.00 C ATOM 203 CD PRO A 17 -15.742 -6.142 -7.013 1.00 0.00 C ATOM 0 HA PRO A 17 -16.879 -7.447 -4.219 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.124 -7.198 -4.346 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.013 -8.491 -5.126 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.687 -6.151 -6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.197 -7.647 -7.111 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.518 -5.106 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.090 -6.626 -7.926 1.00 0.00 H new ATOM 211 N ASN A 18 -16.701 -5.772 -2.551 1.00 0.00 N ATOM 212 CA ASN A 18 -16.626 -4.782 -1.490 1.00 0.00 C ATOM 213 C ASN A 18 -15.170 -4.350 -1.305 1.00 0.00 C ATOM 214 O ASN A 18 -14.255 -5.016 -1.786 1.00 0.00 O ATOM 215 CB ASN A 18 -17.121 -5.359 -0.163 1.00 0.00 C ATOM 216 CG ASN A 18 -18.627 -5.145 0.000 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.321 -5.304 -1.123 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -19.127 -4.856 1.075 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.299 -6.572 -2.346 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.254 -3.937 -1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.895 -6.424 -0.119 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.591 -4.886 0.664 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.536 -4.749 1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -20.135 -4.722 1.149 1.00 0.00 H new ATOM 225 N PRO A 19 -14.997 -3.208 -0.587 1.00 0.00 N ATOM 226 CA PRO A 19 -13.668 -2.679 -0.331 1.00 0.00 C ATOM 227 C PRO A 19 -12.946 -3.502 0.738 1.00 0.00 C ATOM 228 O PRO A 19 -13.580 -4.041 1.644 1.00 0.00 O ATOM 229 CB PRO A 19 -13.892 -1.234 0.083 1.00 0.00 C ATOM 230 CG PRO A 19 -15.353 -1.140 0.492 1.00 0.00 C ATOM 231 CD PRO A 19 -16.057 -2.393 -0.001 1.00 0.00 C ATOM 0 HA PRO A 19 -13.019 -2.733 -1.205 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.237 -0.958 0.909 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.672 -0.553 -0.739 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.441 -1.054 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.813 -0.250 0.063 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.553 -2.916 0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.824 -2.152 -0.737 1.00 0.00 H new ATOM 239 N PRO A 20 -11.596 -3.574 0.594 1.00 0.00 N ATOM 240 CA PRO A 20 -10.781 -4.322 1.536 1.00 0.00 C ATOM 241 C PRO A 20 -10.634 -3.563 2.857 1.00 0.00 C ATOM 242 O PRO A 20 -11.013 -2.397 2.952 1.00 0.00 O ATOM 243 CB PRO A 20 -9.456 -4.539 0.825 1.00 0.00 C ATOM 244 CG PRO A 20 -9.411 -3.513 -0.295 1.00 0.00 C ATOM 245 CD PRO A 20 -10.812 -2.948 -0.467 1.00 0.00 C ATOM 0 HA PRO A 20 -11.229 -5.276 1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.619 -4.406 1.510 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.386 -5.552 0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.705 -2.717 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.069 -3.974 -1.222 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.815 -1.862 -0.374 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.217 -3.185 -1.451 1.00 0.00 H new ATOM 253 N PHE A 21 -10.083 -4.256 3.842 1.00 0.00 N ATOM 254 CA PHE A 21 -9.881 -3.662 5.153 1.00 0.00 C ATOM 255 C PHE A 21 -8.690 -4.304 5.868 1.00 0.00 C ATOM 256 O PHE A 21 -8.054 -5.209 5.331 1.00 0.00 O ATOM 257 CB PHE A 21 -11.151 -3.926 5.964 1.00 0.00 C ATOM 258 CG PHE A 21 -11.523 -5.406 6.073 1.00 0.00 C ATOM 259 CD1 PHE A 21 -10.957 -6.180 7.037 1.00 0.00 C ATOM 260 CD2 PHE A 21 -12.420 -5.948 5.206 1.00 0.00 C ATOM 261 CE1 PHE A 21 -11.302 -7.554 7.139 1.00 0.00 C ATOM 262 CE2 PHE A 21 -12.766 -7.321 5.308 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.200 -8.095 6.272 1.00 0.00 C ATOM 0 H PHE A 21 -9.770 -5.223 3.759 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.678 -2.596 5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.020 -3.520 6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.980 -3.386 5.507 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -10.245 -5.750 7.725 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -12.869 -5.334 4.440 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -10.852 -8.169 7.904 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.479 -7.751 4.620 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.463 -9.140 6.349 1.00 0.00 H new ATOM 273 N ASP A 22 -8.426 -3.810 7.068 1.00 0.00 N ATOM 274 CA ASP A 22 -7.323 -4.324 7.863 1.00 0.00 C ATOM 275 C ASP A 22 -6.003 -4.022 7.150 1.00 0.00 C ATOM 276 O ASP A 22 -4.966 -4.590 7.490 1.00 0.00 O ATOM 277 CB ASP A 22 -7.430 -5.840 8.038 1.00 0.00 C ATOM 278 CG ASP A 22 -7.578 -6.315 9.485 1.00 0.00 C ATOM 279 OD1 ASP A 22 -8.290 -5.618 10.241 1.00 0.00 O ATOM 280 OD2 ASP A 22 -6.976 -7.363 9.803 1.00 0.00 O ATOM 0 H ASP A 22 -8.957 -3.059 7.510 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.360 -3.845 8.841 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.286 -6.197 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.542 -6.304 7.608 1.00 0.00 H new ATOM 285 N LEU A 23 -6.084 -3.129 6.175 1.00 0.00 N ATOM 286 CA LEU A 23 -4.909 -2.745 5.412 1.00 0.00 C ATOM 287 C LEU A 23 -3.763 -2.426 6.374 1.00 0.00 C ATOM 288 O LEU A 23 -3.952 -1.706 7.353 1.00 0.00 O ATOM 289 CB LEU A 23 -5.243 -1.602 4.452 1.00 0.00 C ATOM 290 CG LEU A 23 -5.115 -1.918 2.961 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.313 -2.732 2.468 1.00 0.00 C ATOM 292 CD2 LEU A 23 -4.916 -0.640 2.144 1.00 0.00 C ATOM 0 H LEU A 23 -6.946 -2.660 5.896 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.577 -3.571 4.783 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.265 -1.277 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.591 -0.759 4.682 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.227 -2.533 2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.197 -2.943 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.368 -3.670 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.229 -2.164 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.828 -0.894 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.771 0.021 2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.007 -0.136 2.473 1.00 0.00 H new ATOM 304 N GLU A 24 -2.599 -2.977 6.062 1.00 0.00 N ATOM 305 CA GLU A 24 -1.423 -2.760 6.887 1.00 0.00 C ATOM 306 C GLU A 24 -0.154 -3.086 6.097 1.00 0.00 C ATOM 307 O GLU A 24 -0.167 -3.951 5.223 1.00 0.00 O ATOM 308 CB GLU A 24 -1.496 -3.584 8.173 1.00 0.00 C ATOM 309 CG GLU A 24 -1.640 -2.678 9.398 1.00 0.00 C ATOM 310 CD GLU A 24 -2.733 -3.193 10.336 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.816 -3.532 9.812 1.00 0.00 O ATOM 312 OE2 GLU A 24 -2.461 -3.235 11.555 1.00 0.00 O ATOM 0 H GLU A 24 -2.445 -3.573 5.249 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.391 -1.708 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.342 -4.270 8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.597 -4.193 8.270 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.691 -2.629 9.932 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.879 -1.664 9.078 1.00 0.00 H new ATOM 319 N LEU A 25 0.913 -2.377 6.434 1.00 0.00 N ATOM 320 CA LEU A 25 2.188 -2.580 5.768 1.00 0.00 C ATOM 321 C LEU A 25 3.095 -3.430 6.660 1.00 0.00 C ATOM 322 O LEU A 25 3.360 -3.069 7.806 1.00 0.00 O ATOM 323 CB LEU A 25 2.804 -1.238 5.367 1.00 0.00 C ATOM 324 CG LEU A 25 2.114 -0.501 4.218 1.00 0.00 C ATOM 325 CD1 LEU A 25 2.076 -1.365 2.956 1.00 0.00 C ATOM 326 CD2 LEU A 25 0.719 -0.026 4.629 1.00 0.00 C ATOM 0 H LEU A 25 0.921 -1.661 7.160 1.00 0.00 H new ATOM 0 HA LEU A 25 2.047 -3.130 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.807 -0.586 6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.845 -1.406 5.091 1.00 0.00 H new ATOM 0 HG LEU A 25 2.700 0.387 3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.580 -0.817 2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.094 -1.610 2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.527 -2.284 3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.251 0.495 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.110 -0.886 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.801 0.652 5.479 1.00 0.00 H new ATOM 338 N THR A 26 3.546 -4.544 6.102 1.00 0.00 N ATOM 339 CA THR A 26 4.417 -5.448 6.832 1.00 0.00 C ATOM 340 C THR A 26 5.479 -6.036 5.900 1.00 0.00 C ATOM 341 O THR A 26 5.152 -6.750 4.953 1.00 0.00 O ATOM 342 CB THR A 26 3.542 -6.510 7.502 1.00 0.00 C ATOM 343 OG1 THR A 26 2.722 -7.001 6.446 1.00 0.00 O ATOM 344 CG2 THR A 26 2.548 -5.906 8.496 1.00 0.00 C ATOM 0 H THR A 26 3.324 -4.841 5.152 1.00 0.00 H new ATOM 0 HA THR A 26 4.969 -4.922 7.611 1.00 0.00 H new ATOM 0 HB THR A 26 4.176 -7.232 8.016 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.257 -7.088 5.630 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.952 -6.701 8.943 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.092 -5.377 9.278 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.891 -5.209 7.976 1.00 0.00 H new ATOM 352 N ASP A 27 6.728 -5.713 6.200 1.00 0.00 N ATOM 353 CA ASP A 27 7.839 -6.200 5.401 1.00 0.00 C ATOM 354 C ASP A 27 9.031 -6.489 6.315 1.00 0.00 C ATOM 355 O ASP A 27 9.142 -5.916 7.397 1.00 0.00 O ATOM 356 CB ASP A 27 8.276 -5.156 4.371 1.00 0.00 C ATOM 357 CG ASP A 27 9.226 -4.081 4.902 1.00 0.00 C ATOM 358 OD1 ASP A 27 9.223 -3.881 6.136 1.00 0.00 O ATOM 359 OD2 ASP A 27 9.934 -3.484 4.063 1.00 0.00 O ATOM 0 H ASP A 27 6.995 -5.120 6.986 1.00 0.00 H new ATOM 0 HA ASP A 27 7.512 -7.102 4.884 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.760 -5.668 3.540 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.387 -4.668 3.971 1.00 0.00 H new ATOM 364 N GLN A 28 9.894 -7.379 5.846 1.00 0.00 N ATOM 365 CA GLN A 28 11.074 -7.751 6.608 1.00 0.00 C ATOM 366 C GLN A 28 12.343 -7.379 5.838 1.00 0.00 C ATOM 367 O GLN A 28 13.452 -7.558 6.338 1.00 0.00 O ATOM 368 CB GLN A 28 11.058 -9.243 6.949 1.00 0.00 C ATOM 369 CG GLN A 28 10.913 -10.093 5.685 1.00 0.00 C ATOM 370 CD GLN A 28 10.989 -11.585 6.016 1.00 0.00 C ATOM 371 OE1 GLN A 28 12.003 -12.097 6.461 1.00 0.00 O ATOM 372 NE2 GLN A 28 9.864 -12.251 5.775 1.00 0.00 N ATOM 0 H GLN A 28 9.799 -7.853 4.948 1.00 0.00 H new ATOM 0 HA GLN A 28 11.066 -7.196 7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 28 11.978 -9.511 7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.234 -9.455 7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.962 -9.872 5.201 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.699 -9.834 4.976 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.051 -11.761 5.402 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.814 -13.252 5.963 1.00 0.00 H new ATOM 381 N LEU A 29 12.136 -6.866 4.633 1.00 0.00 N ATOM 382 CA LEU A 29 13.250 -6.467 3.789 1.00 0.00 C ATOM 383 C LEU A 29 13.225 -4.948 3.605 1.00 0.00 C ATOM 384 O LEU A 29 12.157 -4.339 3.583 1.00 0.00 O ATOM 385 CB LEU A 29 13.231 -7.246 2.473 1.00 0.00 C ATOM 386 CG LEU A 29 14.479 -8.077 2.167 1.00 0.00 C ATOM 387 CD1 LEU A 29 15.660 -7.177 1.799 1.00 0.00 C ATOM 388 CD2 LEU A 29 14.812 -9.014 3.329 1.00 0.00 C ATOM 0 H LEU A 29 11.214 -6.718 4.222 1.00 0.00 H new ATOM 0 HA LEU A 29 14.198 -6.716 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.368 -7.912 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.081 -6.539 1.657 1.00 0.00 H new ATOM 0 HG LEU A 29 14.269 -8.703 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.534 -7.793 1.586 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.408 -6.588 0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.881 -6.508 2.631 1.00 0.00 H new ATOM 0 HD21 LEU A 29 15.703 -9.593 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 29 14.995 -8.427 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 29 13.975 -9.691 3.502 1.00 0.00 H new ATOM 400 N ASP A 30 14.416 -4.380 3.479 1.00 0.00 N ATOM 401 CA ASP A 30 14.544 -2.944 3.298 1.00 0.00 C ATOM 402 C ASP A 30 14.749 -2.638 1.813 1.00 0.00 C ATOM 403 O ASP A 30 15.879 -2.444 1.366 1.00 0.00 O ATOM 404 CB ASP A 30 15.751 -2.398 4.064 1.00 0.00 C ATOM 405 CG ASP A 30 15.587 -2.359 5.585 1.00 0.00 C ATOM 406 OD1 ASP A 30 14.979 -1.378 6.065 1.00 0.00 O ATOM 407 OD2 ASP A 30 16.074 -3.311 6.233 1.00 0.00 O ATOM 0 H ASP A 30 15.300 -4.888 3.499 1.00 0.00 H new ATOM 0 HA ASP A 30 13.635 -2.474 3.674 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.622 -3.008 3.823 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.961 -1.389 3.710 1.00 0.00 H new ATOM 412 N LYS A 31 13.640 -2.604 1.090 1.00 0.00 N ATOM 413 CA LYS A 31 13.683 -2.325 -0.336 1.00 0.00 C ATOM 414 C LYS A 31 12.256 -2.169 -0.864 1.00 0.00 C ATOM 415 O LYS A 31 11.916 -1.140 -1.446 1.00 0.00 O ATOM 416 CB LYS A 31 14.496 -3.396 -1.066 1.00 0.00 C ATOM 417 CG LYS A 31 15.519 -2.759 -2.010 1.00 0.00 C ATOM 418 CD LYS A 31 16.934 -3.250 -1.697 1.00 0.00 C ATOM 419 CE LYS A 31 17.814 -2.102 -1.199 1.00 0.00 C ATOM 420 NZ LYS A 31 19.098 -2.622 -0.677 1.00 0.00 N ATOM 0 H LYS A 31 12.705 -2.765 1.465 1.00 0.00 H new ATOM 0 HA LYS A 31 14.197 -1.383 -0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 31 15.009 -4.026 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.826 -4.043 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.266 -3.001 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.478 -1.674 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.892 -4.035 -0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.376 -3.691 -2.591 1.00 0.00 H new ATOM 0 HE2 LYS A 31 18.002 -1.401 -2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 31 17.293 -1.550 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 19.683 -1.830 -0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 18.914 -3.273 0.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 19.600 -3.129 -1.433 1.00 0.00 H new ATOM 434 N SER A 32 11.460 -3.205 -0.643 1.00 0.00 N ATOM 435 CA SER A 32 10.078 -3.195 -1.090 1.00 0.00 C ATOM 436 C SER A 32 9.164 -3.706 0.026 1.00 0.00 C ATOM 437 O SER A 32 9.251 -4.867 0.422 1.00 0.00 O ATOM 438 CB SER A 32 9.901 -4.043 -2.351 1.00 0.00 C ATOM 439 OG SER A 32 11.010 -3.920 -3.237 1.00 0.00 O ATOM 0 H SER A 32 11.746 -4.057 -0.160 1.00 0.00 H new ATOM 0 HA SER A 32 9.804 -2.168 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 32 9.776 -5.089 -2.070 1.00 0.00 H new ATOM 0 HB3 SER A 32 8.990 -3.740 -2.867 1.00 0.00 H new ATOM 0 HG SER A 32 10.860 -4.478 -4.029 1.00 0.00 H new ATOM 445 N VAL A 33 8.308 -2.813 0.501 1.00 0.00 N ATOM 446 CA VAL A 33 7.378 -3.159 1.563 1.00 0.00 C ATOM 447 C VAL A 33 6.164 -3.869 0.961 1.00 0.00 C ATOM 448 O VAL A 33 5.716 -3.522 -0.130 1.00 0.00 O ATOM 449 CB VAL A 33 7.005 -1.907 2.360 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.155 -0.954 1.517 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.288 -2.278 3.660 1.00 0.00 C ATOM 0 H VAL A 33 8.239 -1.851 0.170 1.00 0.00 H new ATOM 0 HA VAL A 33 7.842 -3.850 2.267 1.00 0.00 H new ATOM 0 HB VAL A 33 7.928 -1.389 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.903 -0.072 2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.716 -0.651 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.239 -1.459 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.034 -1.370 4.207 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.377 -2.829 3.428 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.942 -2.899 4.272 1.00 0.00 H new ATOM 461 N GLN A 34 5.666 -4.849 1.700 1.00 0.00 N ATOM 462 CA GLN A 34 4.512 -5.611 1.253 1.00 0.00 C ATOM 463 C GLN A 34 3.233 -5.053 1.879 1.00 0.00 C ATOM 464 O GLN A 34 3.175 -4.831 3.087 1.00 0.00 O ATOM 465 CB GLN A 34 4.678 -7.097 1.576 1.00 0.00 C ATOM 466 CG GLN A 34 3.482 -7.906 1.068 1.00 0.00 C ATOM 467 CD GLN A 34 3.932 -8.997 0.094 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.182 -8.757 -1.075 1.00 0.00 O ATOM 469 NE2 GLN A 34 4.021 -10.206 0.641 1.00 0.00 N ATOM 0 H GLN A 34 6.040 -5.133 2.605 1.00 0.00 H new ATOM 0 HA GLN A 34 4.435 -5.515 0.170 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.595 -7.472 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.780 -7.229 2.653 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.960 -8.359 1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.773 -7.242 0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.797 -10.337 1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.314 -11.002 0.074 1.00 0.00 H new ATOM 478 N LEU A 35 2.239 -4.843 1.028 1.00 0.00 N ATOM 479 CA LEU A 35 0.964 -4.315 1.483 1.00 0.00 C ATOM 480 C LEU A 35 -0.041 -5.462 1.614 1.00 0.00 C ATOM 481 O LEU A 35 -0.422 -6.074 0.617 1.00 0.00 O ATOM 482 CB LEU A 35 0.493 -3.186 0.564 1.00 0.00 C ATOM 483 CG LEU A 35 -0.898 -2.619 0.856 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.833 -1.536 1.935 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.564 -2.113 -0.425 1.00 0.00 C ATOM 0 H LEU A 35 2.291 -5.029 0.026 1.00 0.00 H new ATOM 0 HA LEU A 35 1.068 -3.868 2.472 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.215 -2.372 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.507 -3.551 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.520 -3.425 1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.835 -1.150 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.429 -1.961 2.854 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.189 -0.724 1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.551 -1.715 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.952 -1.327 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.664 -2.936 -1.133 1.00 0.00 H new ATOM 497 N SER A 36 -0.441 -5.718 2.850 1.00 0.00 N ATOM 498 CA SER A 36 -1.393 -6.780 3.124 1.00 0.00 C ATOM 499 C SER A 36 -2.804 -6.200 3.244 1.00 0.00 C ATOM 500 O SER A 36 -3.074 -5.394 4.133 1.00 0.00 O ATOM 501 CB SER A 36 -1.021 -7.538 4.400 1.00 0.00 C ATOM 502 OG SER A 36 0.305 -8.057 4.345 1.00 0.00 O ATOM 0 H SER A 36 -0.123 -5.208 3.674 1.00 0.00 H new ATOM 0 HA SER A 36 -1.366 -7.486 2.294 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.114 -6.872 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.725 -8.356 4.554 1.00 0.00 H new ATOM 0 HG SER A 36 0.505 -8.532 5.178 1.00 0.00 H new ATOM 508 N TRP A 37 -3.666 -6.632 2.336 1.00 0.00 N ATOM 509 CA TRP A 37 -5.043 -6.166 2.329 1.00 0.00 C ATOM 510 C TRP A 37 -5.955 -7.384 2.486 1.00 0.00 C ATOM 511 O TRP A 37 -5.528 -8.517 2.271 1.00 0.00 O ATOM 512 CB TRP A 37 -5.340 -5.355 1.066 1.00 0.00 C ATOM 513 CG TRP A 37 -5.131 -6.132 -0.236 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.003 -6.926 -0.872 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.932 -6.155 -1.039 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.456 -7.458 -2.022 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.157 -6.974 -2.127 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.699 -5.507 -0.853 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.194 -7.220 -3.114 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.747 -5.763 -1.848 1.00 0.00 C ATOM 521 CH2 TRP A 37 -1.958 -6.584 -2.949 1.00 0.00 C ATOM 0 H TRP A 37 -3.438 -7.300 1.600 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.225 -5.486 3.161 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.371 -5.004 1.106 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.702 -4.471 1.056 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.007 -7.125 -0.528 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.920 -8.090 -2.675 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.501 -4.862 -0.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.394 -7.865 -3.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.781 -5.289 -1.753 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.172 -6.731 -3.675 1.00 0.00 H new ATOM 532 N THR A 38 -7.196 -7.109 2.861 1.00 0.00 N ATOM 533 CA THR A 38 -8.173 -8.168 3.050 1.00 0.00 C ATOM 534 C THR A 38 -9.436 -7.880 2.236 1.00 0.00 C ATOM 535 O THR A 38 -10.168 -6.937 2.532 1.00 0.00 O ATOM 536 CB THR A 38 -8.436 -8.306 4.551 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.142 -8.508 5.112 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.196 -9.589 4.896 1.00 0.00 C ATOM 0 H THR A 38 -7.547 -6.168 3.039 1.00 0.00 H new ATOM 0 HA THR A 38 -7.798 -9.123 2.682 1.00 0.00 H new ATOM 0 HB THR A 38 -9.002 -7.443 4.902 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.219 -8.606 6.084 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.357 -9.638 5.973 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.159 -9.590 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.614 -10.454 4.576 1.00 0.00 H new ATOM 546 N PRO A 39 -9.658 -8.731 1.199 1.00 0.00 N ATOM 547 CA PRO A 39 -10.820 -8.577 0.340 1.00 0.00 C ATOM 548 C PRO A 39 -12.091 -9.051 1.047 1.00 0.00 C ATOM 549 O PRO A 39 -12.303 -10.252 1.214 1.00 0.00 O ATOM 550 CB PRO A 39 -10.498 -9.385 -0.906 1.00 0.00 C ATOM 551 CG PRO A 39 -9.378 -10.334 -0.510 1.00 0.00 C ATOM 552 CD PRO A 39 -8.813 -9.859 0.818 1.00 0.00 C ATOM 0 HA PRO A 39 -11.018 -7.536 0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.373 -9.936 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.188 -8.735 -1.724 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.754 -11.353 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.600 -10.346 -1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.846 -10.649 1.568 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.770 -9.557 0.719 1.00 0.00 H new ATOM 560 N GLY A 40 -12.905 -8.084 1.445 1.00 0.00 N ATOM 561 CA GLY A 40 -14.150 -8.388 2.130 1.00 0.00 C ATOM 562 C GLY A 40 -15.070 -9.232 1.247 1.00 0.00 C ATOM 563 O GLY A 40 -14.602 -10.072 0.480 1.00 0.00 O ATOM 0 H GLY A 40 -12.727 -7.089 1.306 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.938 -8.922 3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.654 -7.461 2.405 1.00 0.00 H new ATOM 567 N ASP A 41 -16.364 -8.979 1.384 1.00 0.00 N ATOM 568 CA ASP A 41 -17.355 -9.705 0.608 1.00 0.00 C ATOM 569 C ASP A 41 -17.062 -9.522 -0.883 1.00 0.00 C ATOM 570 O ASP A 41 -16.466 -8.524 -1.285 1.00 0.00 O ATOM 571 CB ASP A 41 -18.764 -9.176 0.881 1.00 0.00 C ATOM 572 CG ASP A 41 -19.145 -9.086 2.360 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.284 -9.446 3.191 1.00 0.00 O ATOM 574 OD2 ASP A 41 -20.290 -8.660 2.626 1.00 0.00 O ATOM 0 H ASP A 41 -16.749 -8.281 2.021 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.303 -10.756 0.893 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.856 -8.185 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.482 -9.821 0.375 1.00 0.00 H new ATOM 579 N ASP A 42 -17.495 -10.502 -1.663 1.00 0.00 N ATOM 580 CA ASP A 42 -17.288 -10.462 -3.100 1.00 0.00 C ATOM 581 C ASP A 42 -18.608 -10.120 -3.793 1.00 0.00 C ATOM 582 O ASP A 42 -18.618 -9.721 -4.957 1.00 0.00 O ATOM 583 CB ASP A 42 -16.815 -11.818 -3.627 1.00 0.00 C ATOM 584 CG ASP A 42 -15.906 -12.600 -2.676 1.00 0.00 C ATOM 585 OD1 ASP A 42 -15.019 -11.953 -2.079 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.119 -13.827 -2.568 1.00 0.00 O ATOM 0 H ASP A 42 -17.988 -11.329 -1.326 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.528 -9.709 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.689 -12.428 -3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.284 -11.661 -4.566 1.00 0.00 H new ATOM 591 N ASN A 43 -19.691 -10.288 -3.048 1.00 0.00 N ATOM 592 CA ASN A 43 -21.014 -10.003 -3.576 1.00 0.00 C ATOM 593 C ASN A 43 -21.280 -10.900 -4.786 1.00 0.00 C ATOM 594 O ASN A 43 -21.356 -10.418 -5.916 1.00 0.00 O ATOM 595 CB ASN A 43 -21.122 -8.547 -4.034 1.00 0.00 C ATOM 596 CG ASN A 43 -21.202 -7.600 -2.835 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.289 -7.835 -1.897 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -22.038 -6.714 -2.765 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.679 -10.618 -2.083 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.740 -10.187 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.259 -8.290 -4.648 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -22.006 -8.423 -4.659 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.711 -6.587 -3.521 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -22.064 -6.100 -1.951 1.00 0.00 H new ATOM 605 N ASN A 44 -21.415 -12.188 -4.510 1.00 0.00 N ATOM 606 CA ASN A 44 -21.670 -13.157 -5.562 1.00 0.00 C ATOM 607 C ASN A 44 -20.447 -13.246 -6.476 1.00 0.00 C ATOM 608 O ASN A 44 -19.833 -14.305 -6.596 1.00 0.00 O ATOM 609 CB ASN A 44 -22.869 -12.739 -6.416 1.00 0.00 C ATOM 610 CG ASN A 44 -24.180 -13.235 -5.802 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.707 -12.403 -4.908 1.00 0.00 O flip ATOM 612 ND2 ASN A 44 -24.679 -14.302 -6.119 1.00 0.00 N flip ATOM 0 H ASN A 44 -21.353 -12.584 -3.572 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.879 -14.118 -5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.894 -11.653 -6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.760 -13.141 -7.423 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -24.221 -14.893 -6.813 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -25.554 -14.603 -5.690 1.00 0.00 H new ATOM 619 N SER A 45 -20.129 -12.120 -7.097 1.00 0.00 N ATOM 620 CA SER A 45 -18.989 -12.057 -7.997 1.00 0.00 C ATOM 621 C SER A 45 -17.687 -12.102 -7.195 1.00 0.00 C ATOM 622 O SER A 45 -17.414 -11.207 -6.397 1.00 0.00 O ATOM 623 CB SER A 45 -19.038 -10.795 -8.860 1.00 0.00 C ATOM 624 OG SER A 45 -17.891 -10.676 -9.697 1.00 0.00 O ATOM 0 H SER A 45 -20.641 -11.244 -6.995 1.00 0.00 H new ATOM 0 HA SER A 45 -19.029 -12.920 -8.661 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.937 -10.812 -9.477 1.00 0.00 H new ATOM 0 HB3 SER A 45 -19.110 -9.918 -8.216 1.00 0.00 H new ATOM 0 HG SER A 45 -17.464 -11.553 -9.794 1.00 0.00 H new ATOM 630 N PRO A 46 -16.897 -13.181 -7.442 1.00 0.00 N ATOM 631 CA PRO A 46 -15.629 -13.354 -6.753 1.00 0.00 C ATOM 632 C PRO A 46 -14.567 -12.405 -7.311 1.00 0.00 C ATOM 633 O PRO A 46 -14.666 -11.960 -8.454 1.00 0.00 O ATOM 634 CB PRO A 46 -15.275 -14.820 -6.944 1.00 0.00 C ATOM 635 CG PRO A 46 -16.113 -15.303 -8.116 1.00 0.00 C ATOM 636 CD PRO A 46 -17.188 -14.261 -8.381 1.00 0.00 C ATOM 0 HA PRO A 46 -15.689 -13.107 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.211 -14.941 -7.149 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.494 -15.395 -6.044 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.490 -15.442 -8.999 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.565 -16.269 -7.890 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.153 -13.909 -9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.185 -14.670 -8.217 1.00 0.00 H new ATOM 644 N ILE A 47 -13.575 -12.124 -6.480 1.00 0.00 N ATOM 645 CA ILE A 47 -12.495 -11.236 -6.876 1.00 0.00 C ATOM 646 C ILE A 47 -11.644 -11.921 -7.947 1.00 0.00 C ATOM 647 O ILE A 47 -11.464 -13.137 -7.917 1.00 0.00 O ATOM 648 CB ILE A 47 -11.697 -10.784 -5.652 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.736 -9.262 -5.503 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.264 -11.318 -5.704 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.169 -8.574 -6.747 1.00 0.00 C ATOM 0 H ILE A 47 -13.496 -12.496 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.895 -10.325 -7.321 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.166 -11.206 -4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.763 -8.935 -5.339 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.162 -8.964 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.718 -10.982 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.282 -12.408 -5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.769 -10.945 -6.601 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.209 -7.493 -6.615 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.134 -8.884 -6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.760 -8.855 -7.619 1.00 0.00 H new ATOM 663 N THR A 48 -11.144 -11.110 -8.868 1.00 0.00 N ATOM 664 CA THR A 48 -10.316 -11.623 -9.946 1.00 0.00 C ATOM 665 C THR A 48 -8.978 -10.883 -9.990 1.00 0.00 C ATOM 666 O THR A 48 -7.949 -11.472 -10.318 1.00 0.00 O ATOM 667 CB THR A 48 -11.114 -11.513 -11.248 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.432 -10.127 -11.344 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.476 -12.203 -11.159 1.00 0.00 C ATOM 0 H THR A 48 -11.296 -10.102 -8.890 1.00 0.00 H new ATOM 0 HA THR A 48 -10.066 -12.672 -9.788 1.00 0.00 H new ATOM 0 HB THR A 48 -10.539 -11.949 -12.065 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.411 -9.724 -10.451 1.00 0.00 H new ATOM 0 HG21 THR A 48 -13.001 -12.095 -12.108 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.334 -13.261 -10.941 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.065 -11.744 -10.365 1.00 0.00 H new ATOM 677 N LYS A 49 -9.035 -9.603 -9.653 1.00 0.00 N ATOM 678 CA LYS A 49 -7.840 -8.776 -9.650 1.00 0.00 C ATOM 679 C LYS A 49 -7.898 -7.808 -8.467 1.00 0.00 C ATOM 680 O LYS A 49 -8.974 -7.532 -7.939 1.00 0.00 O ATOM 681 CB LYS A 49 -7.663 -8.084 -11.003 1.00 0.00 C ATOM 682 CG LYS A 49 -7.080 -6.680 -10.828 1.00 0.00 C ATOM 683 CD LYS A 49 -6.801 -6.030 -12.185 1.00 0.00 C ATOM 684 CE LYS A 49 -8.102 -5.771 -12.947 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.965 -6.186 -14.361 1.00 0.00 N ATOM 0 H LYS A 49 -9.890 -9.118 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.951 -9.392 -9.515 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.005 -8.679 -11.636 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.625 -8.022 -11.512 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.775 -6.062 -10.260 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.157 -6.735 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.268 -5.091 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.152 -6.677 -12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.920 -6.318 -12.479 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.356 -4.712 -12.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.857 -6.004 -14.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.198 -5.645 -14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.744 -7.201 -14.405 1.00 0.00 H new ATOM 699 N PHE A 50 -6.728 -7.319 -8.085 1.00 0.00 N ATOM 700 CA PHE A 50 -6.632 -6.387 -6.974 1.00 0.00 C ATOM 701 C PHE A 50 -5.729 -5.204 -7.326 1.00 0.00 C ATOM 702 O PHE A 50 -4.510 -5.351 -7.403 1.00 0.00 O ATOM 703 CB PHE A 50 -6.017 -7.152 -5.800 1.00 0.00 C ATOM 704 CG PHE A 50 -7.021 -7.993 -5.010 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.171 -7.427 -4.554 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.764 -9.305 -4.762 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.104 -8.207 -3.820 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.697 -10.085 -4.028 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.847 -9.520 -3.573 1.00 0.00 C ATOM 0 H PHE A 50 -5.837 -7.551 -8.525 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.620 -5.995 -6.731 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.230 -7.805 -6.178 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.544 -6.440 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.375 -6.385 -4.750 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.851 -9.754 -5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.017 -7.758 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.493 -11.127 -3.831 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.556 -10.114 -3.016 1.00 0.00 H new ATOM 719 N ILE A 51 -6.361 -4.058 -7.532 1.00 0.00 N ATOM 720 CA ILE A 51 -5.630 -2.851 -7.875 1.00 0.00 C ATOM 721 C ILE A 51 -5.226 -2.122 -6.591 1.00 0.00 C ATOM 722 O ILE A 51 -5.874 -2.275 -5.557 1.00 0.00 O ATOM 723 CB ILE A 51 -6.443 -1.988 -8.842 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.629 -2.696 -10.185 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.811 -0.604 -9.006 1.00 0.00 C ATOM 726 CD1 ILE A 51 -8.114 -2.895 -10.499 1.00 0.00 C ATOM 0 H ILE A 51 -7.372 -3.940 -7.468 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.710 -3.101 -8.404 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.435 -1.840 -8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.161 -2.110 -10.977 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.125 -3.662 -10.164 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.408 -0.011 -9.698 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.774 -0.104 -8.038 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.800 -0.710 -9.398 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.218 -3.400 -11.459 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.573 -3.501 -9.718 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.610 -1.925 -10.544 1.00 0.00 H new ATOM 738 N ILE A 52 -4.158 -1.346 -6.700 1.00 0.00 N ATOM 739 CA ILE A 52 -3.661 -0.594 -5.561 1.00 0.00 C ATOM 740 C ILE A 52 -3.416 0.857 -5.981 1.00 0.00 C ATOM 741 O ILE A 52 -3.188 1.137 -7.157 1.00 0.00 O ATOM 742 CB ILE A 52 -2.428 -1.277 -4.964 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.802 -2.610 -4.312 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.703 -0.346 -3.991 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.036 -3.768 -4.954 1.00 0.00 C ATOM 0 H ILE A 52 -3.623 -1.222 -7.560 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.404 -0.575 -4.764 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.734 -1.499 -5.775 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.583 -2.571 -3.245 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.874 -2.779 -4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.831 -0.856 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.384 0.553 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.377 -0.071 -3.180 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.320 -4.704 -4.472 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.276 -3.819 -6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.965 -3.608 -4.832 1.00 0.00 H new ATOM 757 N GLU A 53 -3.472 1.742 -4.996 1.00 0.00 N ATOM 758 CA GLU A 53 -3.259 3.157 -5.249 1.00 0.00 C ATOM 759 C GLU A 53 -2.606 3.821 -4.035 1.00 0.00 C ATOM 760 O GLU A 53 -2.508 3.214 -2.969 1.00 0.00 O ATOM 761 CB GLU A 53 -4.573 3.852 -5.613 1.00 0.00 C ATOM 762 CG GLU A 53 -4.886 3.686 -7.102 1.00 0.00 C ATOM 763 CD GLU A 53 -6.233 4.322 -7.453 1.00 0.00 C ATOM 764 OE1 GLU A 53 -7.253 3.619 -7.286 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.211 5.497 -7.880 1.00 0.00 O ATOM 0 H GLU A 53 -3.662 1.507 -4.022 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.585 3.257 -6.100 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.386 3.436 -5.018 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.508 4.912 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.097 4.146 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.902 2.627 -7.358 1.00 0.00 H new ATOM 772 N TYR A 54 -2.177 5.058 -4.236 1.00 0.00 N ATOM 773 CA TYR A 54 -1.536 5.810 -3.171 1.00 0.00 C ATOM 774 C TYR A 54 -1.617 7.315 -3.437 1.00 0.00 C ATOM 775 O TYR A 54 -1.810 7.738 -4.576 1.00 0.00 O ATOM 776 CB TYR A 54 -0.067 5.382 -3.178 1.00 0.00 C ATOM 777 CG TYR A 54 0.786 6.101 -4.225 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.382 7.307 -3.919 1.00 0.00 C ATOM 779 CD2 TYR A 54 0.959 5.542 -5.475 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.185 7.984 -4.905 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.762 6.218 -6.461 1.00 0.00 C ATOM 782 CZ TYR A 54 2.336 7.406 -6.127 1.00 0.00 C ATOM 783 OH TYR A 54 3.094 8.044 -7.058 1.00 0.00 O ATOM 0 H TYR A 54 -2.261 5.558 -5.121 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.024 5.615 -2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.358 5.564 -2.191 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.013 4.308 -3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.247 7.743 -2.940 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.492 4.598 -5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.656 8.929 -4.679 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.905 5.792 -7.443 1.00 0.00 H new ATOM 0 HH TYR A 54 3.114 7.514 -7.882 1.00 0.00 H new ATOM 793 N GLU A 55 -1.467 8.082 -2.367 1.00 0.00 N ATOM 794 CA GLU A 55 -1.521 9.530 -2.471 1.00 0.00 C ATOM 795 C GLU A 55 -0.412 10.164 -1.629 1.00 0.00 C ATOM 796 O GLU A 55 0.008 9.598 -0.621 1.00 0.00 O ATOM 797 CB GLU A 55 -2.895 10.058 -2.055 1.00 0.00 C ATOM 798 CG GLU A 55 -3.164 9.783 -0.575 1.00 0.00 C ATOM 799 CD GLU A 55 -2.970 11.049 0.262 1.00 0.00 C ATOM 800 OE1 GLU A 55 -1.836 11.573 0.244 1.00 0.00 O ATOM 801 OE2 GLU A 55 -3.961 11.464 0.902 1.00 0.00 O ATOM 0 H GLU A 55 -1.308 7.728 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.362 9.807 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.949 11.130 -2.245 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.668 9.587 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.181 9.412 -0.449 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.493 9.001 -0.219 1.00 0.00 H new ATOM 808 N ASP A 56 0.031 11.331 -2.074 1.00 0.00 N ATOM 809 CA ASP A 56 1.083 12.048 -1.374 1.00 0.00 C ATOM 810 C ASP A 56 0.457 13.141 -0.504 1.00 0.00 C ATOM 811 O ASP A 56 0.040 14.180 -1.013 1.00 0.00 O ATOM 812 CB ASP A 56 2.042 12.719 -2.359 1.00 0.00 C ATOM 813 CG ASP A 56 3.341 13.241 -1.743 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.276 13.694 -0.579 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.371 13.176 -2.449 1.00 0.00 O ATOM 0 H ASP A 56 -0.320 11.798 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 56 1.634 11.330 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.291 12.005 -3.144 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.525 13.551 -2.837 1.00 0.00 H new ATOM 820 N ALA A 57 0.413 12.869 0.792 1.00 0.00 N ATOM 821 CA ALA A 57 -0.154 13.816 1.736 1.00 0.00 C ATOM 822 C ALA A 57 0.817 14.983 1.927 1.00 0.00 C ATOM 823 O ALA A 57 0.399 16.099 2.234 1.00 0.00 O ATOM 824 CB ALA A 57 -0.470 13.099 3.051 1.00 0.00 C ATOM 0 H ALA A 57 0.761 12.006 1.210 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.090 14.225 1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.896 13.809 3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.186 12.298 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.446 12.678 3.465 1.00 0.00 H new ATOM 830 N MET A 58 2.094 14.685 1.738 1.00 0.00 N ATOM 831 CA MET A 58 3.128 15.696 1.885 1.00 0.00 C ATOM 832 C MET A 58 3.145 16.642 0.683 1.00 0.00 C ATOM 833 O MET A 58 3.772 17.699 0.729 1.00 0.00 O ATOM 834 CB MET A 58 4.491 15.016 2.019 1.00 0.00 C ATOM 835 CG MET A 58 5.625 15.993 1.702 1.00 0.00 C ATOM 836 SD MET A 58 7.204 15.200 1.958 1.00 0.00 S ATOM 837 CE MET A 58 7.182 15.032 3.734 1.00 0.00 C ATOM 0 H MET A 58 2.436 13.758 1.484 1.00 0.00 H new ATOM 0 HA MET A 58 2.914 16.280 2.780 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.611 14.630 3.031 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.543 14.162 1.344 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.544 16.335 0.670 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.544 16.875 2.337 1.00 0.00 H new ATOM 0 HE1 MET A 58 8.205 14.982 4.107 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.676 15.891 4.175 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.651 14.120 4.007 1.00 0.00 H new ATOM 847 N HIS A 59 2.449 16.227 -0.366 1.00 0.00 N ATOM 848 CA HIS A 59 2.377 17.025 -1.579 1.00 0.00 C ATOM 849 C HIS A 59 0.919 17.387 -1.868 1.00 0.00 C ATOM 850 O HIS A 59 0.539 18.554 -1.794 1.00 0.00 O ATOM 851 CB HIS A 59 3.051 16.301 -2.746 1.00 0.00 C ATOM 852 CG HIS A 59 4.540 16.116 -2.576 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.093 15.416 -1.518 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.584 16.547 -3.341 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.411 15.432 -1.650 1.00 0.00 C ATOM 856 NE2 HIS A 59 6.714 16.133 -2.780 1.00 0.00 N ATOM 0 H HIS A 59 1.930 15.349 -0.401 1.00 0.00 H new ATOM 0 HA HIS A 59 2.926 17.956 -1.440 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.586 15.323 -2.871 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.867 16.861 -3.663 1.00 0.00 H new ATOM 0 HD1 HIS A 59 4.574 14.965 -0.765 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.505 17.127 -4.249 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.121 14.971 -0.980 1.00 0.00 H new ATOM 864 N LYS A 60 0.141 16.364 -2.192 1.00 0.00 N ATOM 865 CA LYS A 60 -1.266 16.560 -2.494 1.00 0.00 C ATOM 866 C LYS A 60 -2.080 15.427 -1.865 1.00 0.00 C ATOM 867 O LYS A 60 -2.194 14.346 -2.441 1.00 0.00 O ATOM 868 CB LYS A 60 -1.477 16.705 -4.002 1.00 0.00 C ATOM 869 CG LYS A 60 -1.091 18.107 -4.478 1.00 0.00 C ATOM 870 CD LYS A 60 -2.300 18.838 -5.065 1.00 0.00 C ATOM 871 CE LYS A 60 -2.472 18.510 -6.549 1.00 0.00 C ATOM 872 NZ LYS A 60 -3.865 18.764 -6.979 1.00 0.00 N ATOM 0 H LYS A 60 0.459 15.397 -2.252 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.623 17.492 -2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.880 15.961 -4.529 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.521 16.508 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.685 18.679 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.304 18.036 -5.229 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.200 18.555 -4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.176 19.913 -4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.786 19.114 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -2.214 17.466 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.964 18.536 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.513 18.169 -6.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.098 19.766 -6.826 1.00 0.00 H new ATOM 886 N PRO A 61 -2.641 15.722 -0.661 1.00 0.00 N ATOM 887 CA PRO A 61 -3.441 14.740 0.052 1.00 0.00 C ATOM 888 C PRO A 61 -4.821 14.586 -0.592 1.00 0.00 C ATOM 889 O PRO A 61 -5.659 15.480 -0.492 1.00 0.00 O ATOM 890 CB PRO A 61 -3.506 15.251 1.482 1.00 0.00 C ATOM 891 CG PRO A 61 -3.138 16.724 1.416 1.00 0.00 C ATOM 892 CD PRO A 61 -2.528 16.991 0.050 1.00 0.00 C ATOM 0 HA PRO A 61 -3.009 13.740 0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.504 15.116 1.900 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.815 14.704 2.124 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.021 17.345 1.568 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.431 16.977 2.206 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.060 17.786 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.488 17.306 0.135 1.00 0.00 H new ATOM 900 N GLY A 62 -5.013 13.445 -1.238 1.00 0.00 N ATOM 901 CA GLY A 62 -6.276 13.162 -1.897 1.00 0.00 C ATOM 902 C GLY A 62 -6.050 12.685 -3.333 1.00 0.00 C ATOM 903 O GLY A 62 -6.902 12.008 -3.907 1.00 0.00 O ATOM 0 H GLY A 62 -4.315 12.706 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.819 12.400 -1.338 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.897 14.058 -1.901 1.00 0.00 H new ATOM 907 N LEU A 63 -4.898 13.056 -3.872 1.00 0.00 N ATOM 908 CA LEU A 63 -4.549 12.674 -5.230 1.00 0.00 C ATOM 909 C LEU A 63 -4.019 11.239 -5.231 1.00 0.00 C ATOM 910 O LEU A 63 -2.913 10.981 -4.758 1.00 0.00 O ATOM 911 CB LEU A 63 -3.579 13.688 -5.839 1.00 0.00 C ATOM 912 CG LEU A 63 -3.562 13.765 -7.367 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.886 14.311 -7.904 1.00 0.00 C ATOM 914 CD2 LEU A 63 -2.364 14.578 -7.861 1.00 0.00 C ATOM 0 H LEU A 63 -4.194 13.617 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.432 12.689 -5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.824 14.676 -5.448 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.572 13.450 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.449 12.754 -7.759 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.847 14.355 -8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.701 13.656 -7.597 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.055 15.312 -7.506 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.375 14.617 -8.950 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.421 15.590 -7.461 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.441 14.106 -7.525 1.00 0.00 H new ATOM 926 N TRP A 64 -4.833 10.342 -5.767 1.00 0.00 N ATOM 927 CA TRP A 64 -4.460 8.939 -5.836 1.00 0.00 C ATOM 928 C TRP A 64 -3.938 8.657 -7.246 1.00 0.00 C ATOM 929 O TRP A 64 -4.475 9.173 -8.225 1.00 0.00 O ATOM 930 CB TRP A 64 -5.633 8.039 -5.442 1.00 0.00 C ATOM 931 CG TRP A 64 -6.253 8.384 -4.086 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.324 9.151 -3.840 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.794 7.938 -2.793 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.587 9.233 -2.488 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.627 8.471 -1.831 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.710 7.112 -2.447 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.464 8.237 -0.460 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.561 6.888 -1.073 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.391 7.417 -0.092 1.00 0.00 C ATOM 0 H TRP A 64 -5.750 10.559 -6.158 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.669 8.715 -5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.403 8.106 -6.210 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.293 7.004 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.908 9.643 -4.604 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.346 9.756 -2.051 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.045 6.684 -3.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.130 8.666 0.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.743 6.260 -0.753 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.209 7.196 0.949 1.00 0.00 H new ATOM 950 N HIS A 65 -2.897 7.839 -7.306 1.00 0.00 N ATOM 951 CA HIS A 65 -2.297 7.483 -8.580 1.00 0.00 C ATOM 952 C HIS A 65 -2.247 5.960 -8.716 1.00 0.00 C ATOM 953 O HIS A 65 -2.188 5.246 -7.716 1.00 0.00 O ATOM 954 CB HIS A 65 -0.923 8.137 -8.735 1.00 0.00 C ATOM 955 CG HIS A 65 -0.938 9.640 -8.589 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.160 10.494 -9.655 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.758 10.431 -7.493 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.112 11.741 -9.209 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.862 11.700 -7.869 1.00 0.00 N ATOM 0 H HIS A 65 -2.454 7.413 -6.492 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.911 7.866 -9.395 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.246 7.717 -7.991 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.519 7.881 -9.714 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.331 10.212 -10.620 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.564 10.084 -6.489 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.247 12.633 -9.803 1.00 0.00 H new ATOM 967 N HIS A 66 -2.274 5.508 -9.961 1.00 0.00 N ATOM 968 CA HIS A 66 -2.232 4.083 -10.241 1.00 0.00 C ATOM 969 C HIS A 66 -0.882 3.513 -9.802 1.00 0.00 C ATOM 970 O HIS A 66 0.158 3.884 -10.343 1.00 0.00 O ATOM 971 CB HIS A 66 -2.541 3.809 -11.714 1.00 0.00 C ATOM 972 CG HIS A 66 -3.324 2.540 -11.952 1.00 0.00 C ATOM 973 ND1 HIS A 66 -2.971 1.325 -11.391 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.445 2.310 -12.694 1.00 0.00 C ATOM 975 CE1 HIS A 66 -3.847 0.412 -11.786 1.00 0.00 C ATOM 976 NE2 HIS A 66 -4.759 1.025 -12.593 1.00 0.00 N ATOM 0 H HIS A 66 -2.324 6.104 -10.787 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.006 3.573 -9.667 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -3.102 4.651 -12.120 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.603 3.754 -12.267 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.986 3.049 -13.267 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.840 -0.634 -11.516 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.552 0.570 -13.045 1.00 0.00 H new ATOM 984 N GLN A 67 -0.942 2.619 -8.825 1.00 0.00 N ATOM 985 CA GLN A 67 0.263 1.994 -8.308 1.00 0.00 C ATOM 986 C GLN A 67 0.532 0.676 -9.037 1.00 0.00 C ATOM 987 O GLN A 67 1.404 0.608 -9.903 1.00 0.00 O ATOM 988 CB GLN A 67 0.161 1.774 -6.797 1.00 0.00 C ATOM 989 CG GLN A 67 1.412 1.076 -6.259 1.00 0.00 C ATOM 990 CD GLN A 67 2.175 1.985 -5.294 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.218 1.532 -4.044 1.00 0.00 O flip ATOM 992 NE2 GLN A 67 2.690 3.028 -5.659 1.00 0.00 N flip ATOM 0 H GLN A 67 -1.806 2.313 -8.378 1.00 0.00 H new ATOM 0 HA GLN A 67 1.103 2.664 -8.489 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.030 2.732 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.720 1.173 -6.572 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.128 0.155 -5.749 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.061 0.794 -7.088 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.619 3.318 -6.634 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.191 3.611 -4.989 1.00 0.00 H new ATOM 1001 N THR A 68 -0.232 -0.339 -8.660 1.00 0.00 N ATOM 1002 CA THR A 68 -0.086 -1.651 -9.267 1.00 0.00 C ATOM 1003 C THR A 68 -1.250 -2.558 -8.863 1.00 0.00 C ATOM 1004 O THR A 68 -1.918 -2.307 -7.861 1.00 0.00 O ATOM 1005 CB THR A 68 1.283 -2.206 -8.871 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.386 -3.427 -9.598 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.337 -2.640 -7.405 1.00 0.00 C ATOM 0 H THR A 68 -0.954 -0.279 -7.942 1.00 0.00 H new ATOM 0 HA THR A 68 -0.125 -1.590 -10.355 1.00 0.00 H new ATOM 0 HB THR A 68 2.047 -1.451 -9.055 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.246 -3.853 -9.401 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.330 -3.026 -7.176 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.124 -1.784 -6.764 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.595 -3.419 -7.229 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.458 -3.593 -9.663 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.530 -4.538 -9.401 1.00 0.00 C ATOM 1017 C GLU A 69 -1.986 -5.968 -9.395 1.00 0.00 C ATOM 1018 O GLU A 69 -0.886 -6.221 -9.885 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.658 -4.385 -10.423 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.121 -4.483 -11.852 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.639 -5.902 -12.160 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.280 -6.844 -11.645 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.641 -6.014 -12.905 1.00 0.00 O ATOM 0 H GLU A 69 -0.902 -3.798 -10.493 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.945 -4.323 -8.416 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.409 -5.158 -10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.153 -3.424 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.901 -4.199 -12.558 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.299 -3.779 -11.985 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.782 -6.868 -8.834 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.394 -8.266 -8.758 1.00 0.00 C ATOM 1032 C VAL A 70 -3.610 -9.145 -9.057 1.00 0.00 C ATOM 1033 O VAL A 70 -4.679 -8.638 -9.393 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.764 -8.561 -7.395 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.241 -8.663 -7.506 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.170 -7.506 -6.364 1.00 0.00 C ATOM 0 H VAL A 70 -3.693 -6.656 -8.428 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.636 -8.493 -9.508 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.140 -9.525 -7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.182 -8.873 -6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.021 -9.467 -8.193 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.160 -7.721 -7.880 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.709 -7.739 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.836 -6.524 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.254 -7.503 -6.254 1.00 0.00 H new ATOM 1046 N SER A 71 -3.406 -10.447 -8.924 1.00 0.00 N ATOM 1047 CA SER A 71 -4.473 -11.401 -9.176 1.00 0.00 C ATOM 1048 C SER A 71 -5.512 -11.332 -8.055 1.00 0.00 C ATOM 1049 O SER A 71 -5.278 -10.702 -7.025 1.00 0.00 O ATOM 1050 CB SER A 71 -3.921 -12.823 -9.301 1.00 0.00 C ATOM 1051 OG SER A 71 -4.193 -13.390 -10.580 1.00 0.00 O ATOM 0 H SER A 71 -2.518 -10.864 -8.645 1.00 0.00 H new ATOM 0 HA SER A 71 -4.950 -11.140 -10.121 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.844 -12.810 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.358 -13.451 -8.525 1.00 0.00 H new ATOM 0 HG SER A 71 -3.824 -14.297 -10.621 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.638 -11.987 -8.295 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.714 -12.008 -7.319 1.00 0.00 C ATOM 1059 C GLY A 72 -7.553 -13.181 -6.350 1.00 0.00 C ATOM 1060 O GLY A 72 -8.526 -13.630 -5.746 1.00 0.00 O ATOM 0 H GLY A 72 -6.829 -12.507 -9.151 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.723 -11.071 -6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.673 -12.084 -7.831 1.00 0.00 H new ATOM 1064 N THR A 73 -6.318 -13.643 -6.231 1.00 0.00 N ATOM 1065 CA THR A 73 -6.016 -14.755 -5.345 1.00 0.00 C ATOM 1066 C THR A 73 -5.061 -14.310 -4.236 1.00 0.00 C ATOM 1067 O THR A 73 -5.192 -14.737 -3.090 1.00 0.00 O ATOM 1068 CB THR A 73 -5.468 -15.902 -6.196 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.580 -16.778 -6.356 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.434 -16.745 -5.446 1.00 0.00 C ATOM 0 H THR A 73 -5.514 -13.268 -6.733 1.00 0.00 H new ATOM 0 HA THR A 73 -6.912 -15.109 -4.835 1.00 0.00 H new ATOM 0 HB THR A 73 -5.018 -15.498 -7.103 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.313 -17.550 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.077 -17.545 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.595 -16.115 -5.152 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.893 -17.177 -4.556 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.121 -13.456 -4.616 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.144 -12.949 -3.668 1.00 0.00 C ATOM 1080 C GLN A 74 -3.702 -11.728 -2.933 1.00 0.00 C ATOM 1081 O GLN A 74 -4.623 -11.074 -3.419 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.825 -12.613 -4.367 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.886 -11.229 -5.017 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.488 -10.745 -5.409 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.161 -9.563 -4.894 1.00 0.00 O flip ATOM 1086 NE2 GLN A 74 0.244 -11.401 -6.130 1.00 0.00 N flip ATOM 0 H GLN A 74 -4.016 -13.103 -5.567 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.940 -13.729 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.009 -12.644 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.609 -13.366 -5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.523 -11.266 -5.901 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.340 -10.519 -4.326 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.070 -12.302 -6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.170 -11.049 -6.372 1.00 0.00 H new ATOM 1095 N THR A 75 -3.119 -11.458 -1.774 1.00 0.00 N ATOM 1096 CA THR A 75 -3.547 -10.327 -0.967 1.00 0.00 C ATOM 1097 C THR A 75 -2.333 -9.569 -0.427 1.00 0.00 C ATOM 1098 O THR A 75 -2.447 -8.815 0.538 1.00 0.00 O ATOM 1099 CB THR A 75 -4.473 -10.853 0.131 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.844 -12.054 0.570 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.824 -11.319 -0.417 1.00 0.00 C ATOM 0 H THR A 75 -2.354 -12.002 -1.375 1.00 0.00 H new ATOM 0 HA THR A 75 -4.104 -9.604 -1.562 1.00 0.00 H new ATOM 0 HB THR A 75 -4.632 -10.073 0.876 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.378 -12.461 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.443 -11.683 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.325 -10.485 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.667 -12.122 -1.137 1.00 0.00 H new ATOM 1109 N THR A 76 -1.198 -9.796 -1.072 1.00 0.00 N ATOM 1110 CA THR A 76 0.036 -9.143 -0.667 1.00 0.00 C ATOM 1111 C THR A 76 0.876 -8.785 -1.895 1.00 0.00 C ATOM 1112 O THR A 76 1.130 -9.634 -2.748 1.00 0.00 O ATOM 1113 CB THR A 76 0.758 -10.066 0.316 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.933 -11.279 -0.411 1.00 0.00 O ATOM 1115 CG2 THR A 76 -0.123 -10.465 1.501 1.00 0.00 C ATOM 0 H THR A 76 -1.107 -10.423 -1.872 1.00 0.00 H new ATOM 0 HA THR A 76 -0.163 -8.198 -0.161 1.00 0.00 H new ATOM 0 HB THR A 76 1.657 -9.572 0.684 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.106 -11.073 -1.353 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.438 -11.120 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.429 -9.571 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.007 -10.989 1.137 1.00 0.00 H new ATOM 1123 N ALA A 77 1.285 -7.526 -1.945 1.00 0.00 N ATOM 1124 CA ALA A 77 2.092 -7.045 -3.053 1.00 0.00 C ATOM 1125 C ALA A 77 3.135 -6.056 -2.528 1.00 0.00 C ATOM 1126 O ALA A 77 2.896 -5.364 -1.539 1.00 0.00 O ATOM 1127 CB ALA A 77 1.182 -6.424 -4.115 1.00 0.00 C ATOM 0 H ALA A 77 1.073 -6.824 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 77 2.628 -7.869 -3.524 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.787 -6.063 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.480 -7.175 -4.477 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.630 -5.591 -3.679 1.00 0.00 H new ATOM 1133 N GLN A 78 4.268 -6.020 -3.213 1.00 0.00 N ATOM 1134 CA GLN A 78 5.348 -5.128 -2.828 1.00 0.00 C ATOM 1135 C GLN A 78 5.061 -3.706 -3.317 1.00 0.00 C ATOM 1136 O GLN A 78 4.549 -3.517 -4.419 1.00 0.00 O ATOM 1137 CB GLN A 78 6.691 -5.630 -3.360 1.00 0.00 C ATOM 1138 CG GLN A 78 7.260 -6.731 -2.463 1.00 0.00 C ATOM 1139 CD GLN A 78 7.928 -7.827 -3.296 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.105 -7.773 -3.610 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.113 -8.822 -3.634 1.00 0.00 N ATOM 0 H GLN A 78 4.462 -6.595 -4.033 1.00 0.00 H new ATOM 0 HA GLN A 78 5.410 -5.112 -1.740 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.565 -6.011 -4.374 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.397 -4.801 -3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.985 -6.303 -1.771 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.461 -7.163 -1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.137 -8.805 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.464 -9.602 -4.189 1.00 0.00 H new ATOM 1150 N LEU A 79 5.404 -2.744 -2.473 1.00 0.00 N ATOM 1151 CA LEU A 79 5.190 -1.346 -2.805 1.00 0.00 C ATOM 1152 C LEU A 79 6.540 -0.628 -2.865 1.00 0.00 C ATOM 1153 O LEU A 79 7.312 -0.669 -1.907 1.00 0.00 O ATOM 1154 CB LEU A 79 4.198 -0.709 -1.830 1.00 0.00 C ATOM 1155 CG LEU A 79 2.825 -1.379 -1.738 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.786 -0.422 -1.149 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.391 -1.930 -3.098 1.00 0.00 C ATOM 0 H LEU A 79 5.829 -2.905 -1.560 1.00 0.00 H new ATOM 0 HA LEU A 79 4.735 -1.254 -3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.646 -0.706 -0.836 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.054 0.332 -2.118 1.00 0.00 H new ATOM 0 HG LEU A 79 2.904 -2.227 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.819 -0.923 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.095 -0.120 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.702 0.460 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.412 -2.401 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.334 -1.115 -3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.117 -2.667 -3.440 1.00 0.00 H new ATOM 1169 N ASN A 80 6.784 0.013 -3.998 1.00 0.00 N ATOM 1170 CA ASN A 80 8.027 0.739 -4.195 1.00 0.00 C ATOM 1171 C ASN A 80 7.941 2.091 -3.484 1.00 0.00 C ATOM 1172 O ASN A 80 7.217 2.983 -3.924 1.00 0.00 O ATOM 1173 CB ASN A 80 8.282 1.001 -5.681 1.00 0.00 C ATOM 1174 CG ASN A 80 7.094 1.720 -6.323 1.00 0.00 C ATOM 1175 OD1 ASN A 80 5.948 1.327 -6.182 1.00 0.00 O ATOM 1176 ND2 ASN A 80 7.431 2.793 -7.033 1.00 0.00 N ATOM 0 H ASN A 80 6.142 0.045 -4.790 1.00 0.00 H new ATOM 0 HA ASN A 80 8.839 0.134 -3.791 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.183 1.603 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.461 0.057 -6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.710 3.342 -7.500 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.411 3.067 -7.110 1.00 0.00 H new ATOM 1183 N LEU A 81 8.690 2.200 -2.397 1.00 0.00 N ATOM 1184 CA LEU A 81 8.708 3.428 -1.620 1.00 0.00 C ATOM 1185 C LEU A 81 10.049 4.135 -1.823 1.00 0.00 C ATOM 1186 O LEU A 81 11.078 3.484 -2.001 1.00 0.00 O ATOM 1187 CB LEU A 81 8.380 3.140 -0.154 1.00 0.00 C ATOM 1188 CG LEU A 81 7.134 2.289 0.100 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.714 2.358 1.570 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.996 2.690 -0.841 1.00 0.00 C ATOM 0 H LEU A 81 9.289 1.458 -2.036 1.00 0.00 H new ATOM 0 HA LEU A 81 7.932 4.110 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.236 2.639 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.258 4.091 0.364 1.00 0.00 H new ATOM 0 HG LEU A 81 7.379 1.249 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.826 1.745 1.724 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.524 1.987 2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.492 3.391 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.122 2.070 -0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.743 3.738 -0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.311 2.548 -1.875 1.00 0.00 H new ATOM 1202 N SER A 82 9.995 5.459 -1.789 1.00 0.00 N ATOM 1203 CA SER A 82 11.194 6.261 -1.967 1.00 0.00 C ATOM 1204 C SER A 82 11.441 7.115 -0.722 1.00 0.00 C ATOM 1205 O SER A 82 10.532 7.332 0.077 1.00 0.00 O ATOM 1206 CB SER A 82 11.081 7.151 -3.207 1.00 0.00 C ATOM 1207 OG SER A 82 11.743 6.583 -4.334 1.00 0.00 O ATOM 0 H SER A 82 9.140 5.996 -1.641 1.00 0.00 H new ATOM 0 HA SER A 82 12.039 5.587 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.029 7.308 -3.446 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.509 8.130 -2.991 1.00 0.00 H new ATOM 0 HG SER A 82 11.647 7.180 -5.105 1.00 0.00 H new ATOM 1213 N PRO A 83 12.710 7.588 -0.592 1.00 0.00 N ATOM 1214 CA PRO A 83 13.089 8.413 0.542 1.00 0.00 C ATOM 1215 C PRO A 83 12.537 9.833 0.397 1.00 0.00 C ATOM 1216 O PRO A 83 12.587 10.414 -0.686 1.00 0.00 O ATOM 1217 CB PRO A 83 14.608 8.366 0.573 1.00 0.00 C ATOM 1218 CG PRO A 83 15.038 7.903 -0.810 1.00 0.00 C ATOM 1219 CD PRO A 83 13.813 7.351 -1.519 1.00 0.00 C ATOM 0 HA PRO A 83 12.674 8.051 1.482 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.025 9.346 0.804 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.962 7.680 1.342 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.464 8.732 -1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.811 7.139 -0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.646 7.855 -2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.926 6.289 -1.736 1.00 0.00 H new ATOM 1227 N TYR A 84 12.023 10.350 1.503 1.00 0.00 N ATOM 1228 CA TYR A 84 11.463 11.690 1.512 1.00 0.00 C ATOM 1229 C TYR A 84 10.227 11.774 0.615 1.00 0.00 C ATOM 1230 O TYR A 84 10.307 12.253 -0.515 1.00 0.00 O ATOM 1231 CB TYR A 84 12.551 12.606 0.948 1.00 0.00 C ATOM 1232 CG TYR A 84 13.956 12.297 1.468 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.316 12.669 2.747 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.864 11.646 0.657 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.638 12.378 3.237 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.187 11.355 1.147 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.508 11.735 2.413 1.00 0.00 C ATOM 1238 OH TYR A 84 17.758 11.461 2.875 1.00 0.00 O ATOM 0 H TYR A 84 11.983 9.865 2.399 1.00 0.00 H new ATOM 0 HA TYR A 84 11.160 11.972 2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.551 12.526 -0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.304 13.639 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.606 13.179 3.381 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.583 11.355 -0.344 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.932 12.664 4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.908 10.847 0.523 1.00 0.00 H new ATOM 0 HH TYR A 84 18.270 10.998 2.179 1.00 0.00 H new ATOM 1248 N VAL A 85 9.112 11.300 1.152 1.00 0.00 N ATOM 1249 CA VAL A 85 7.860 11.315 0.413 1.00 0.00 C ATOM 1250 C VAL A 85 6.794 10.563 1.212 1.00 0.00 C ATOM 1251 O VAL A 85 6.791 9.333 1.246 1.00 0.00 O ATOM 1252 CB VAL A 85 8.073 10.741 -0.989 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.849 9.424 -0.931 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.739 10.561 -1.715 1.00 0.00 C ATOM 0 H VAL A 85 9.049 10.903 2.090 1.00 0.00 H new ATOM 0 HA VAL A 85 7.506 12.337 0.280 1.00 0.00 H new ATOM 0 HB VAL A 85 8.670 11.455 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.986 9.038 -1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.823 9.595 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.291 8.699 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.918 10.152 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.106 9.877 -1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.240 11.526 -1.804 1.00 0.00 H new ATOM 1264 N ASN A 86 5.913 11.333 1.834 1.00 0.00 N ATOM 1265 CA ASN A 86 4.843 10.754 2.629 1.00 0.00 C ATOM 1266 C ASN A 86 3.649 10.448 1.724 1.00 0.00 C ATOM 1267 O ASN A 86 3.410 11.153 0.745 1.00 0.00 O ATOM 1268 CB ASN A 86 4.377 11.727 3.714 1.00 0.00 C ATOM 1269 CG ASN A 86 3.102 11.221 4.392 1.00 0.00 C ATOM 1270 OD1 ASN A 86 2.940 10.043 4.669 1.00 0.00 O ATOM 1271 ND2 ASN A 86 2.208 12.173 4.643 1.00 0.00 N ATOM 0 H ASN A 86 5.918 12.353 1.804 1.00 0.00 H new ATOM 0 HA ASN A 86 5.223 9.846 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.164 11.852 4.458 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.195 12.708 3.274 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.324 11.936 5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.406 13.140 4.385 1.00 0.00 H new ATOM 1278 N TYR A 87 2.930 9.394 2.083 1.00 0.00 N ATOM 1279 CA TYR A 87 1.766 8.985 1.315 1.00 0.00 C ATOM 1280 C TYR A 87 1.076 7.783 1.963 1.00 0.00 C ATOM 1281 O TYR A 87 1.602 7.196 2.907 1.00 0.00 O ATOM 1282 CB TYR A 87 2.292 8.575 -0.062 1.00 0.00 C ATOM 1283 CG TYR A 87 3.664 7.898 -0.028 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.884 6.826 0.814 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.681 8.358 -0.839 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.174 6.189 0.846 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.972 7.721 -0.806 1.00 0.00 C ATOM 1288 CZ TYR A 87 6.155 6.668 0.035 1.00 0.00 C ATOM 1289 OH TYR A 87 7.374 6.066 0.065 1.00 0.00 O ATOM 0 H TYR A 87 3.131 8.811 2.895 1.00 0.00 H new ATOM 0 HA TYR A 87 1.038 9.795 1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.575 7.898 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.351 9.460 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.088 6.466 1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.509 9.196 -1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 87 5.359 5.349 1.499 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.777 8.072 -1.435 1.00 0.00 H new ATOM 0 HH TYR A 87 8.026 6.668 0.480 1.00 0.00 H new ATOM 1299 N SER A 88 -0.091 7.453 1.430 1.00 0.00 N ATOM 1300 CA SER A 88 -0.858 6.332 1.945 1.00 0.00 C ATOM 1301 C SER A 88 -0.903 5.208 0.907 1.00 0.00 C ATOM 1302 O SER A 88 -0.320 5.329 -0.169 1.00 0.00 O ATOM 1303 CB SER A 88 -2.277 6.762 2.322 1.00 0.00 C ATOM 1304 OG SER A 88 -3.243 6.299 1.383 1.00 0.00 O ATOM 0 H SER A 88 -0.524 7.942 0.647 1.00 0.00 H new ATOM 0 HA SER A 88 -0.366 5.967 2.847 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.521 6.378 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.322 7.849 2.382 1.00 0.00 H new ATOM 0 HG SER A 88 -3.496 7.033 0.785 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.601 4.141 1.267 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.730 2.997 0.380 1.00 0.00 C ATOM 1312 C PHE A 89 -3.081 2.305 0.571 1.00 0.00 C ATOM 1313 O PHE A 89 -3.435 1.922 1.685 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.613 2.018 0.749 1.00 0.00 C ATOM 1315 CG PHE A 89 0.795 2.602 0.614 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.216 3.094 -0.582 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.626 2.629 1.691 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.523 3.635 -0.707 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.932 3.170 1.566 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.353 3.662 0.370 1.00 0.00 C ATOM 0 H PHE A 89 -2.083 4.044 2.161 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.661 3.321 -0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.760 1.685 1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.692 1.136 0.113 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.556 3.073 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.292 2.239 2.641 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.858 4.025 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.592 3.191 2.421 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.347 4.074 0.276 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.799 2.166 -0.534 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.104 1.527 -0.503 1.00 0.00 C ATOM 1332 C ARG A 90 -5.104 0.278 -1.388 1.00 0.00 C ATOM 1333 O ARG A 90 -4.079 -0.076 -1.968 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.197 2.484 -0.982 1.00 0.00 C ATOM 1335 CG ARG A 90 -5.960 2.904 -2.434 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.554 4.288 -2.708 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.290 4.277 -3.992 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.016 5.306 -4.450 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.108 6.433 -3.732 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.650 5.207 -5.626 1.00 0.00 N ATOM 0 H ARG A 90 -3.502 2.485 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.311 1.245 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.171 2.003 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.218 3.367 -0.343 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.890 2.915 -2.643 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.408 2.172 -3.106 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.225 4.572 -1.897 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.760 5.034 -2.741 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.242 3.434 -4.564 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.625 6.508 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.661 7.216 -4.081 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.580 4.349 -6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.203 5.990 -5.975 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.266 -0.354 -1.463 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.414 -1.555 -2.267 1.00 0.00 C ATOM 1356 C VAL A 91 -7.809 -1.576 -2.894 1.00 0.00 C ATOM 1357 O VAL A 91 -8.775 -1.121 -2.283 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.123 -2.793 -1.416 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.386 -4.076 -2.207 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.690 -2.765 -0.879 1.00 0.00 C ATOM 0 H VAL A 91 -7.114 -0.057 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.691 -1.560 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.801 -2.780 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.171 -4.941 -1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.430 -4.104 -2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.744 -4.099 -3.088 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.509 -3.656 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.989 -2.742 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.550 -1.877 -0.263 1.00 0.00 H new ATOM 1370 N MET A 92 -7.871 -2.108 -4.106 1.00 0.00 N ATOM 1371 CA MET A 92 -9.132 -2.194 -4.822 1.00 0.00 C ATOM 1372 C MET A 92 -9.368 -3.611 -5.348 1.00 0.00 C ATOM 1373 O MET A 92 -8.418 -4.358 -5.578 1.00 0.00 O ATOM 1374 CB MET A 92 -9.122 -1.209 -5.993 1.00 0.00 C ATOM 1375 CG MET A 92 -9.454 0.208 -5.521 1.00 0.00 C ATOM 1376 SD MET A 92 -8.102 0.865 -4.560 1.00 0.00 S ATOM 1377 CE MET A 92 -6.807 0.839 -5.788 1.00 0.00 C ATOM 0 H MET A 92 -7.068 -2.484 -4.610 1.00 0.00 H new ATOM 0 HA MET A 92 -9.938 -1.944 -4.132 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.142 -1.217 -6.471 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.846 -1.525 -6.744 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.646 0.851 -6.380 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.365 0.196 -4.922 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.036 1.562 -5.520 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.369 -0.158 -5.834 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.224 1.098 -6.762 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.640 -3.938 -5.525 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.013 -5.252 -6.020 1.00 0.00 C ATOM 1389 C ALA A 93 -11.820 -5.096 -7.310 1.00 0.00 C ATOM 1390 O ALA A 93 -12.635 -4.182 -7.430 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.786 -6.005 -4.936 1.00 0.00 C ATOM 0 H ALA A 93 -11.425 -3.315 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.126 -5.840 -6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.066 -6.991 -5.307 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.159 -6.115 -4.052 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.685 -5.446 -4.676 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.566 -6.002 -8.243 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.259 -5.976 -9.519 1.00 0.00 C ATOM 1399 C VAL A 94 -12.650 -7.403 -9.911 1.00 0.00 C ATOM 1400 O VAL A 94 -11.821 -8.311 -9.870 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.391 -5.284 -10.572 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.235 -4.825 -11.763 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.620 -4.112 -9.962 1.00 0.00 C ATOM 0 H VAL A 94 -10.890 -6.759 -8.140 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.179 -5.396 -9.442 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.664 -6.010 -10.937 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.594 -4.336 -12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.718 -5.688 -12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.995 -4.123 -11.421 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.011 -3.637 -10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.324 -3.385 -9.557 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.975 -4.477 -9.163 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.913 -7.555 -10.283 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.423 -8.856 -10.682 1.00 0.00 C ATOM 1415 C ASN A 95 -15.215 -8.711 -11.983 1.00 0.00 C ATOM 1416 O ASN A 95 -15.205 -7.649 -12.605 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.363 -9.428 -9.618 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.537 -8.483 -9.358 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.847 -7.604 -10.146 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.173 -8.713 -8.213 1.00 0.00 N ATOM 0 H ASN A 95 -14.597 -6.799 -10.316 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.574 -9.527 -10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.738 -10.399 -9.943 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.812 -9.593 -8.692 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -17.972 -8.137 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -16.862 -9.465 -7.599 1.00 0.00 H new ATOM 1427 N SER A 96 -15.882 -9.793 -12.356 1.00 0.00 N ATOM 1428 CA SER A 96 -16.677 -9.799 -13.572 1.00 0.00 C ATOM 1429 C SER A 96 -17.453 -8.486 -13.697 1.00 0.00 C ATOM 1430 O SER A 96 -17.420 -7.839 -14.743 1.00 0.00 O ATOM 1431 CB SER A 96 -17.640 -10.989 -13.595 1.00 0.00 C ATOM 1432 OG SER A 96 -16.954 -12.227 -13.759 1.00 0.00 O ATOM 0 H SER A 96 -15.888 -10.671 -11.838 1.00 0.00 H new ATOM 0 HA SER A 96 -16.001 -9.896 -14.422 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.211 -11.011 -12.667 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.356 -10.861 -14.407 1.00 0.00 H new ATOM 0 HG SER A 96 -17.602 -12.962 -13.767 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.133 -8.133 -12.617 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.916 -6.909 -12.592 1.00 0.00 C ATOM 1440 C ILE A 97 -18.036 -5.737 -13.030 1.00 0.00 C ATOM 1441 O ILE A 97 -17.943 -5.435 -14.219 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.563 -6.714 -11.219 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.439 -7.912 -10.851 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.339 -5.397 -11.161 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.870 -7.722 -11.357 1.00 0.00 C ATOM 0 H ILE A 97 -18.158 -8.673 -11.752 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.742 -6.970 -13.301 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.770 -6.654 -10.473 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -20.016 -8.821 -11.279 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.447 -8.042 -9.769 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.789 -5.283 -10.175 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.659 -4.566 -11.348 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.123 -5.403 -11.919 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.471 -8.588 -11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.298 -6.826 -10.909 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.861 -7.616 -12.442 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.412 -5.107 -12.045 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.542 -3.975 -12.313 1.00 0.00 C ATOM 1459 C GLY A 98 -15.542 -3.769 -11.174 1.00 0.00 C ATOM 1460 O GLY A 98 -15.232 -4.705 -10.438 1.00 0.00 O ATOM 0 H GLY A 98 -17.492 -5.359 -11.060 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -16.005 -4.138 -13.248 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.142 -3.074 -12.443 1.00 0.00 H new ATOM 1464 N LYS A 99 -15.065 -2.538 -11.063 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.107 -2.197 -10.025 1.00 0.00 C ATOM 1466 C LYS A 99 -14.835 -1.503 -8.872 1.00 0.00 C ATOM 1467 O LYS A 99 -15.647 -0.606 -9.096 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.955 -1.376 -10.608 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.978 -0.947 -9.511 1.00 0.00 C ATOM 1470 CD LYS A 99 -11.294 0.373 -9.872 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.369 0.200 -11.079 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.660 1.465 -11.374 1.00 0.00 N ATOM 0 H LYS A 99 -15.324 -1.764 -11.675 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.651 -3.099 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.428 -1.964 -11.360 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.351 -0.495 -11.113 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.511 -0.838 -8.566 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.226 -1.722 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.048 1.129 -10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.720 0.735 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.646 -0.591 -10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.949 -0.110 -11.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -9.037 1.330 -12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.354 2.211 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.091 1.744 -10.550 1.00 0.00 H new ATOM 1486 N SER A 100 -14.519 -1.945 -7.663 1.00 0.00 N ATOM 1487 CA SER A 100 -15.134 -1.378 -6.475 1.00 0.00 C ATOM 1488 C SER A 100 -14.377 -0.120 -6.045 1.00 0.00 C ATOM 1489 O SER A 100 -13.350 0.222 -6.629 1.00 0.00 O ATOM 1490 CB SER A 100 -15.165 -2.395 -5.333 1.00 0.00 C ATOM 1491 OG SER A 100 -13.870 -2.620 -4.782 1.00 0.00 O ATOM 0 H SER A 100 -13.845 -2.689 -7.481 1.00 0.00 H new ATOM 0 HA SER A 100 -16.163 -1.111 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.835 -2.040 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.572 -3.338 -5.698 1.00 0.00 H new ATOM 0 HG SER A 100 -13.882 -3.437 -4.241 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.914 0.536 -5.026 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.303 1.749 -4.511 1.00 0.00 C ATOM 1499 C LEU A 101 -12.963 1.402 -3.858 1.00 0.00 C ATOM 1500 O LEU A 101 -12.707 0.243 -3.537 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.269 2.483 -3.579 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.354 3.319 -4.261 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.423 3.754 -3.257 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.744 4.510 -5.001 1.00 0.00 C ATOM 0 H LEU A 101 -15.766 0.250 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.092 2.444 -5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.754 1.747 -2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.689 3.138 -2.929 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.848 2.696 -5.007 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.182 4.347 -3.768 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.887 2.872 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.962 4.353 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.537 5.087 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.209 5.143 -4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.051 4.150 -5.761 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.122 2.456 -3.676 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.816 2.274 -3.068 1.00 0.00 C ATOM 1518 C PRO A 102 -10.939 2.067 -1.557 1.00 0.00 C ATOM 1519 O PRO A 102 -11.696 2.770 -0.890 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.034 3.525 -3.434 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.070 4.562 -3.835 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.393 3.843 -4.044 1.00 0.00 C ATOM 0 HA PRO A 102 -10.305 1.381 -3.428 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.438 3.874 -2.590 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.342 3.327 -4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.167 5.323 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.765 5.073 -4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.179 4.271 -3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.727 3.920 -5.079 1.00 0.00 H new ATOM 1530 N SER A 103 -10.183 1.098 -1.061 1.00 0.00 N ATOM 1531 CA SER A 103 -10.198 0.789 0.359 1.00 0.00 C ATOM 1532 C SER A 103 -10.000 2.068 1.174 1.00 0.00 C ATOM 1533 O SER A 103 -9.484 3.061 0.663 1.00 0.00 O ATOM 1534 CB SER A 103 -9.120 -0.238 0.711 1.00 0.00 C ATOM 1535 OG SER A 103 -8.036 0.350 1.424 1.00 0.00 O ATOM 0 H SER A 103 -9.556 0.517 -1.617 1.00 0.00 H new ATOM 0 HA SER A 103 -11.167 0.356 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 103 -9.560 -1.034 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.745 -0.698 -0.203 1.00 0.00 H new ATOM 0 HG SER A 103 -7.951 -0.078 2.301 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.419 2.003 2.429 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.294 3.143 3.321 1.00 0.00 C ATOM 1543 C GLU A 104 -8.929 3.811 3.140 1.00 0.00 C ATOM 1544 O GLU A 104 -8.824 4.852 2.494 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.512 2.728 4.777 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.883 2.074 4.961 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.771 0.788 5.783 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.690 0.913 7.024 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -11.770 -0.291 5.151 1.00 0.00 O ATOM 0 H GLU A 104 -10.846 1.178 2.850 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.068 3.866 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.730 2.033 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.432 3.602 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.558 2.770 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.317 1.850 3.986 1.00 0.00 H new ATOM 1556 N ALA A 105 -7.918 3.183 3.722 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.564 3.704 3.633 1.00 0.00 C ATOM 1558 C ALA A 105 -5.721 3.118 4.768 1.00 0.00 C ATOM 1559 O ALA A 105 -6.004 3.354 5.942 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.601 5.233 3.665 1.00 0.00 C ATOM 0 H ALA A 105 -8.009 2.319 4.257 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.101 3.409 2.691 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.585 5.623 3.598 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.187 5.600 2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.057 5.566 4.597 1.00 0.00 H new ATOM 1566 N SER A 106 -4.704 2.364 4.378 1.00 0.00 N ATOM 1567 CA SER A 106 -3.818 1.742 5.348 1.00 0.00 C ATOM 1568 C SER A 106 -3.094 2.818 6.160 1.00 0.00 C ATOM 1569 O SER A 106 -3.059 3.982 5.764 1.00 0.00 O ATOM 1570 CB SER A 106 -2.806 0.824 4.661 1.00 0.00 C ATOM 1571 OG SER A 106 -2.465 -0.297 5.471 1.00 0.00 O ATOM 0 H SER A 106 -4.473 2.170 3.404 1.00 0.00 H new ATOM 0 HA SER A 106 -4.421 1.132 6.021 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.218 0.475 3.714 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.904 1.390 4.427 1.00 0.00 H new ATOM 0 HG SER A 106 -2.684 -0.103 6.406 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.534 2.390 7.282 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.812 3.302 8.153 1.00 0.00 C ATOM 1579 C GLU A 107 -0.843 4.160 7.338 1.00 0.00 C ATOM 1580 O GLU A 107 -0.346 3.726 6.300 1.00 0.00 O ATOM 1581 CB GLU A 107 -1.075 2.539 9.256 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.557 1.195 8.740 1.00 0.00 C ATOM 1583 CD GLU A 107 0.762 0.819 9.417 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.456 1.756 9.868 1.00 0.00 O ATOM 1585 OE2 GLU A 107 1.047 -0.397 9.470 1.00 0.00 O ATOM 0 H GLU A 107 -2.566 1.424 7.608 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.534 3.962 8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.241 3.138 9.623 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.745 2.375 10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -1.300 0.419 8.927 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.414 1.247 7.661 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.605 5.364 7.837 1.00 0.00 N ATOM 1593 CA GLN A 108 0.296 6.287 7.168 1.00 0.00 C ATOM 1594 C GLN A 108 1.739 5.788 7.269 1.00 0.00 C ATOM 1595 O GLN A 108 2.415 6.030 8.268 1.00 0.00 O ATOM 1596 CB GLN A 108 0.162 7.698 7.744 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.706 8.578 6.843 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.627 10.046 7.269 1.00 0.00 C ATOM 1599 OE1 GLN A 108 -1.593 10.643 7.716 1.00 0.00 O ATOM 1600 NE2 GLN A 108 0.575 10.592 7.106 1.00 0.00 N ATOM 0 H GLN A 108 -1.021 5.722 8.697 1.00 0.00 H new ATOM 0 HA GLN A 108 0.021 6.333 6.114 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.277 7.648 8.741 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.150 8.146 7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.380 8.478 5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.741 8.239 6.885 1.00 0.00 H new ATOM 0 HE21 GLN A 108 1.341 10.035 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.731 11.567 7.361 1.00 0.00 H new ATOM 1609 N TYR A 109 2.168 5.101 6.220 1.00 0.00 N ATOM 1610 CA TYR A 109 3.518 4.566 6.178 1.00 0.00 C ATOM 1611 C TYR A 109 4.492 5.582 5.578 1.00 0.00 C ATOM 1612 O TYR A 109 4.355 5.969 4.419 1.00 0.00 O ATOM 1613 CB TYR A 109 3.457 3.337 5.268 1.00 0.00 C ATOM 1614 CG TYR A 109 4.799 2.625 5.093 1.00 0.00 C ATOM 1615 CD1 TYR A 109 5.836 3.257 4.438 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.974 1.349 5.591 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.100 2.587 4.273 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.237 0.679 5.426 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.238 1.330 4.775 1.00 0.00 C ATOM 1620 OH TYR A 109 8.431 0.697 4.620 1.00 0.00 O ATOM 0 H TYR A 109 1.605 4.903 5.393 1.00 0.00 H new ATOM 0 HA TYR A 109 3.867 4.326 7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.733 2.631 5.676 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.088 3.641 4.288 1.00 0.00 H new ATOM 0 HD1 TYR A 109 5.700 4.255 4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.163 0.854 6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 109 7.919 3.071 3.763 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.387 -0.319 5.811 1.00 0.00 H new ATOM 0 HH TYR A 109 8.385 -0.193 5.029 1.00 0.00 H new ATOM 1630 N LEU A 110 5.454 5.985 6.395 1.00 0.00 N ATOM 1631 CA LEU A 110 6.451 6.948 5.959 1.00 0.00 C ATOM 1632 C LEU A 110 7.845 6.337 6.110 1.00 0.00 C ATOM 1633 O LEU A 110 8.210 5.874 7.190 1.00 0.00 O ATOM 1634 CB LEU A 110 6.277 8.273 6.704 1.00 0.00 C ATOM 1635 CG LEU A 110 5.904 9.483 5.844 1.00 0.00 C ATOM 1636 CD1 LEU A 110 5.463 10.660 6.715 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.052 9.862 4.906 1.00 0.00 C ATOM 0 H LEU A 110 5.564 5.662 7.356 1.00 0.00 H new ATOM 0 HA LEU A 110 6.318 7.182 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.507 8.141 7.464 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.206 8.497 7.228 1.00 0.00 H new ATOM 0 HG LEU A 110 5.054 9.210 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.204 11.506 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.594 10.370 7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.277 10.944 7.382 1.00 0.00 H new ATOM 0 HD21 LEU A 110 6.762 10.724 4.306 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.936 10.110 5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.277 9.022 4.249 1.00 0.00 H new ATOM 1649 N THR A 111 8.587 6.356 5.013 1.00 0.00 N ATOM 1650 CA THR A 111 9.933 5.809 5.009 1.00 0.00 C ATOM 1651 C THR A 111 10.876 6.709 5.810 1.00 0.00 C ATOM 1652 O THR A 111 10.444 7.698 6.401 1.00 0.00 O ATOM 1653 CB THR A 111 10.364 5.621 3.553 1.00 0.00 C ATOM 1654 OG1 THR A 111 10.356 6.940 3.016 1.00 0.00 O ATOM 1655 CG2 THR A 111 9.315 4.875 2.725 1.00 0.00 C ATOM 0 H THR A 111 8.281 6.742 4.120 1.00 0.00 H new ATOM 0 HA THR A 111 9.966 4.837 5.500 1.00 0.00 H new ATOM 0 HB THR A 111 11.308 5.076 3.520 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.422 6.896 2.039 1.00 0.00 H new ATOM 0 HG21 THR A 111 9.670 4.768 1.700 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.146 3.888 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.381 5.437 2.729 1.00 0.00 H new ATOM 1663 N LYS A 112 12.147 6.335 5.803 1.00 0.00 N ATOM 1664 CA LYS A 112 13.155 7.096 6.522 1.00 0.00 C ATOM 1665 C LYS A 112 13.538 8.330 5.701 1.00 0.00 C ATOM 1666 O LYS A 112 13.309 8.372 4.493 1.00 0.00 O ATOM 1667 CB LYS A 112 14.345 6.204 6.882 1.00 0.00 C ATOM 1668 CG LYS A 112 13.930 5.106 7.863 1.00 0.00 C ATOM 1669 CD LYS A 112 14.493 3.749 7.438 1.00 0.00 C ATOM 1670 CE LYS A 112 14.533 2.777 8.619 1.00 0.00 C ATOM 1671 NZ LYS A 112 15.223 1.525 8.237 1.00 0.00 N ATOM 0 H LYS A 112 12.502 5.515 5.311 1.00 0.00 H new ATOM 0 HA LYS A 112 12.756 7.454 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 112 14.753 5.753 5.977 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.138 6.809 7.322 1.00 0.00 H new ATOM 0 HG2 LYS A 112 14.285 5.354 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 112 12.843 5.052 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.880 3.331 6.639 1.00 0.00 H new ATOM 0 HD3 LYS A 112 15.497 3.878 7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 112 15.047 3.240 9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.518 2.554 8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 15.241 0.877 9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.716 1.076 7.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.197 1.741 7.945 1.00 0.00 H new ATOM 1685 N ALA A 113 14.114 9.304 6.390 1.00 0.00 N ATOM 1686 CA ALA A 113 14.530 10.535 5.740 1.00 0.00 C ATOM 1687 C ALA A 113 15.201 11.448 6.768 1.00 0.00 C ATOM 1688 O ALA A 113 14.621 11.745 7.812 1.00 0.00 O ATOM 1689 CB ALA A 113 13.321 11.196 5.075 1.00 0.00 C ATOM 0 H ALA A 113 14.302 9.266 7.392 1.00 0.00 H new ATOM 0 HA ALA A 113 15.259 10.327 4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 113 13.634 12.119 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.899 10.519 4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 113 12.568 11.421 5.830 1.00 0.00 H new ATOM 1695 N SER A 114 16.413 11.867 6.438 1.00 0.00 N ATOM 1696 CA SER A 114 17.169 12.740 7.320 1.00 0.00 C ATOM 1697 C SER A 114 16.487 14.106 7.415 1.00 0.00 C ATOM 1698 O SER A 114 16.876 15.048 6.726 1.00 0.00 O ATOM 1699 CB SER A 114 18.611 12.900 6.834 1.00 0.00 C ATOM 1700 OG SER A 114 19.556 12.538 7.837 1.00 0.00 O ATOM 0 H SER A 114 16.891 11.618 5.572 1.00 0.00 H new ATOM 0 HA SER A 114 17.196 12.285 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 114 18.766 12.282 5.950 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.780 13.934 6.533 1.00 0.00 H new ATOM 0 HG SER A 114 20.464 12.652 7.487 1.00 0.00 H new ATOM 1706 N GLU A 115 15.480 14.171 8.274 1.00 0.00 N ATOM 1707 CA GLU A 115 14.740 15.406 8.468 1.00 0.00 C ATOM 1708 C GLU A 115 13.697 15.232 9.573 1.00 0.00 C ATOM 1709 O GLU A 115 13.182 14.134 9.779 1.00 0.00 O ATOM 1710 CB GLU A 115 14.085 15.863 7.163 1.00 0.00 C ATOM 1711 CG GLU A 115 14.530 17.280 6.793 1.00 0.00 C ATOM 1712 CD GLU A 115 13.336 18.135 6.363 1.00 0.00 C ATOM 1713 OE1 GLU A 115 12.529 18.473 7.255 1.00 0.00 O ATOM 1714 OE2 GLU A 115 13.257 18.430 5.151 1.00 0.00 O ATOM 0 H GLU A 115 15.159 13.388 8.844 1.00 0.00 H new ATOM 0 HA GLU A 115 15.441 16.182 8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 115 14.347 15.174 6.360 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.000 15.834 7.267 1.00 0.00 H new ATOM 0 HG2 GLU A 115 15.026 17.744 7.646 1.00 0.00 H new ATOM 0 HG3 GLU A 115 15.260 17.236 5.985 1.00 0.00 H new ATOM 1721 N PRO A 116 13.408 16.361 10.274 1.00 0.00 N ATOM 1722 CA PRO A 116 12.435 16.344 11.353 1.00 0.00 C ATOM 1723 C PRO A 116 11.008 16.278 10.805 1.00 0.00 C ATOM 1724 O PRO A 116 10.472 15.192 10.589 1.00 0.00 O ATOM 1725 CB PRO A 116 12.707 17.610 12.149 1.00 0.00 C ATOM 1726 CG PRO A 116 13.506 18.518 11.227 1.00 0.00 C ATOM 1727 CD PRO A 116 13.997 17.679 10.059 1.00 0.00 C ATOM 0 HA PRO A 116 12.527 15.463 11.988 1.00 0.00 H new ATOM 0 HB2 PRO A 116 11.776 18.086 12.456 1.00 0.00 H new ATOM 0 HB3 PRO A 116 13.265 17.387 13.058 1.00 0.00 H new ATOM 0 HG2 PRO A 116 12.887 19.342 10.872 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.348 18.959 11.761 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.680 18.103 9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.086 17.627 10.039 1.00 0.00 H new ATOM 1735 N ASP A 117 10.434 17.453 10.595 1.00 0.00 N ATOM 1736 CA ASP A 117 9.080 17.543 10.075 1.00 0.00 C ATOM 1737 C ASP A 117 8.175 16.587 10.854 1.00 0.00 C ATOM 1738 O ASP A 117 8.602 15.989 11.842 1.00 0.00 O ATOM 1739 CB ASP A 117 9.029 17.144 8.599 1.00 0.00 C ATOM 1740 CG ASP A 117 9.055 18.313 7.612 1.00 0.00 C ATOM 1741 OD1 ASP A 117 8.849 19.455 8.079 1.00 0.00 O ATOM 1742 OD2 ASP A 117 9.279 18.040 6.413 1.00 0.00 O ATOM 0 H ASP A 117 10.882 18.351 10.776 1.00 0.00 H new ATOM 0 HA ASP A 117 8.746 18.575 10.181 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.874 16.489 8.386 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.123 16.562 8.426 1.00 0.00 H new ATOM 1747 N LYS A 118 6.943 16.471 10.382 1.00 0.00 N ATOM 1748 CA LYS A 118 5.975 15.598 11.022 1.00 0.00 C ATOM 1749 C LYS A 118 6.408 14.142 10.838 1.00 0.00 C ATOM 1750 O LYS A 118 7.028 13.559 11.726 1.00 0.00 O ATOM 1751 CB LYS A 118 4.565 15.890 10.504 1.00 0.00 C ATOM 1752 CG LYS A 118 3.508 15.208 11.375 1.00 0.00 C ATOM 1753 CD LYS A 118 2.564 16.237 11.999 1.00 0.00 C ATOM 1754 CE LYS A 118 1.195 15.621 12.290 1.00 0.00 C ATOM 1755 NZ LYS A 118 0.185 16.126 11.332 1.00 0.00 N ATOM 0 H LYS A 118 6.593 16.968 9.563 1.00 0.00 H new ATOM 0 HA LYS A 118 5.941 15.788 12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.393 16.966 10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.473 15.543 9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 118 2.936 14.502 10.773 1.00 0.00 H new ATOM 0 HG3 LYS A 118 3.996 14.633 12.162 1.00 0.00 H new ATOM 0 HD2 LYS A 118 2.998 16.620 12.923 1.00 0.00 H new ATOM 0 HD3 LYS A 118 2.449 17.086 11.325 1.00 0.00 H new ATOM 0 HE2 LYS A 118 1.257 14.535 12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 118 0.891 15.861 13.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -0.739 15.698 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 0.114 17.160 11.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 0.469 15.875 10.364 1.00 0.00 H new ATOM 1769 N ASN A 119 6.064 13.597 9.681 1.00 0.00 N ATOM 1770 CA ASN A 119 6.410 12.221 9.369 1.00 0.00 C ATOM 1771 C ASN A 119 6.368 11.387 10.651 1.00 0.00 C ATOM 1772 O ASN A 119 7.410 11.035 11.202 1.00 0.00 O ATOM 1773 CB ASN A 119 7.822 12.125 8.790 1.00 0.00 C ATOM 1774 CG ASN A 119 8.186 13.396 8.019 1.00 0.00 C ATOM 1775 OD1 ASN A 119 9.240 13.983 8.201 1.00 0.00 O ATOM 1776 ND2 ASN A 119 7.257 13.786 7.150 1.00 0.00 N ATOM 0 H ASN A 119 5.549 14.084 8.948 1.00 0.00 H new ATOM 0 HA ASN A 119 5.694 11.852 8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 119 8.539 11.966 9.595 1.00 0.00 H new ATOM 0 HB3 ASN A 119 7.890 11.262 8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 119 7.405 14.623 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 119 6.397 13.248 7.047 1.00 0.00 H new ATOM 1783 N PRO A 120 5.120 11.086 11.101 1.00 0.00 N ATOM 1784 CA PRO A 120 4.928 10.300 12.308 1.00 0.00 C ATOM 1785 C PRO A 120 5.229 8.822 12.053 1.00 0.00 C ATOM 1786 O PRO A 120 5.614 8.096 12.968 1.00 0.00 O ATOM 1787 CB PRO A 120 3.485 10.551 12.715 1.00 0.00 C ATOM 1788 CG PRO A 120 2.790 11.092 11.477 1.00 0.00 C ATOM 1789 CD PRO A 120 3.863 11.486 10.475 1.00 0.00 C ATOM 0 HA PRO A 120 5.609 10.586 13.109 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.011 9.632 13.059 1.00 0.00 H new ATOM 0 HB3 PRO A 120 3.430 11.265 13.537 1.00 0.00 H new ATOM 0 HG2 PRO A 120 2.128 10.338 11.051 1.00 0.00 H new ATOM 0 HG3 PRO A 120 2.171 11.952 11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 120 3.718 10.981 9.520 1.00 0.00 H new ATOM 0 HD3 PRO A 120 3.844 12.557 10.275 1.00 0.00 H new ATOM 1797 N THR A 121 5.042 8.420 10.804 1.00 0.00 N ATOM 1798 CA THR A 121 5.289 7.041 10.417 1.00 0.00 C ATOM 1799 C THR A 121 4.341 6.100 11.163 1.00 0.00 C ATOM 1800 O THR A 121 3.311 5.696 10.626 1.00 0.00 O ATOM 1801 CB THR A 121 6.767 6.738 10.666 1.00 0.00 C ATOM 1802 OG1 THR A 121 7.456 7.617 9.781 1.00 0.00 O ATOM 1803 CG2 THR A 121 7.167 5.340 10.189 1.00 0.00 C ATOM 0 H THR A 121 4.722 9.025 10.047 1.00 0.00 H new ATOM 0 HA THR A 121 5.085 6.884 9.358 1.00 0.00 H new ATOM 0 HB THR A 121 6.982 6.834 11.730 1.00 0.00 H new ATOM 0 HG1 THR A 121 7.697 7.135 8.963 1.00 0.00 H new ATOM 0 HG21 THR A 121 8.226 5.176 10.389 1.00 0.00 H new ATOM 0 HG22 THR A 121 6.577 4.592 10.719 1.00 0.00 H new ATOM 0 HG23 THR A 121 6.983 5.254 9.118 1.00 0.00 H new ATOM 1811 N SER A 122 4.723 5.779 12.391 1.00 0.00 N ATOM 1812 CA SER A 122 3.920 4.893 13.216 1.00 0.00 C ATOM 1813 C SER A 122 3.842 5.435 14.645 1.00 0.00 C ATOM 1814 O SER A 122 4.660 6.264 15.043 1.00 0.00 O ATOM 1815 CB SER A 122 4.491 3.473 13.218 1.00 0.00 C ATOM 1816 OG SER A 122 3.579 2.530 12.661 1.00 0.00 O ATOM 0 H SER A 122 5.578 6.117 12.834 1.00 0.00 H new ATOM 0 HA SER A 122 2.916 4.851 12.794 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.422 3.456 12.651 1.00 0.00 H new ATOM 0 HB3 SER A 122 4.735 3.182 14.240 1.00 0.00 H new ATOM 0 HG SER A 122 3.981 1.636 12.679 1.00 0.00 H new ATOM 1822 N GLY A 123 2.852 4.946 15.377 1.00 0.00 N ATOM 1823 CA GLY A 123 2.658 5.371 16.752 1.00 0.00 C ATOM 1824 C GLY A 123 3.037 4.257 17.730 1.00 0.00 C ATOM 1825 O GLY A 123 3.111 3.090 17.348 1.00 0.00 O ATOM 0 H GLY A 123 2.176 4.259 15.043 1.00 0.00 H new ATOM 0 HA2 GLY A 123 3.263 6.256 16.951 1.00 0.00 H new ATOM 0 HA3 GLY A 123 1.617 5.655 16.905 1.00 0.00 H new ATOM 1829 N PRO A 124 3.272 4.666 19.005 1.00 0.00 N ATOM 1830 CA PRO A 124 3.641 3.716 20.040 1.00 0.00 C ATOM 1831 C PRO A 124 2.429 2.897 20.490 1.00 0.00 C ATOM 1832 O PRO A 124 2.075 2.902 21.668 1.00 0.00 O ATOM 1833 CB PRO A 124 4.234 4.560 21.156 1.00 0.00 C ATOM 1834 CG PRO A 124 3.753 5.980 20.905 1.00 0.00 C ATOM 1835 CD PRO A 124 3.193 6.040 19.494 1.00 0.00 C ATOM 0 HA PRO A 124 4.361 2.975 19.693 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.906 4.203 22.132 1.00 0.00 H new ATOM 0 HB3 PRO A 124 5.323 4.509 21.148 1.00 0.00 H new ATOM 0 HG2 PRO A 124 2.989 6.258 21.631 1.00 0.00 H new ATOM 0 HG3 PRO A 124 4.574 6.687 21.020 1.00 0.00 H new ATOM 0 HD2 PRO A 124 2.165 6.403 19.491 1.00 0.00 H new ATOM 0 HD3 PRO A 124 3.772 6.718 18.867 1.00 0.00 H new ATOM 1843 N SER A 125 1.827 2.213 19.528 1.00 0.00 N ATOM 1844 CA SER A 125 0.663 1.391 19.810 1.00 0.00 C ATOM 1845 C SER A 125 -0.494 2.270 20.290 1.00 0.00 C ATOM 1846 O SER A 125 -0.396 2.918 21.330 1.00 0.00 O ATOM 1847 CB SER A 125 0.985 0.320 20.854 1.00 0.00 C ATOM 1848 OG SER A 125 0.484 -0.960 20.478 1.00 0.00 O ATOM 0 H SER A 125 2.124 2.211 18.552 1.00 0.00 H new ATOM 0 HA SER A 125 0.370 0.886 18.890 1.00 0.00 H new ATOM 0 HB2 SER A 125 2.065 0.261 20.991 1.00 0.00 H new ATOM 0 HB3 SER A 125 0.557 0.609 21.814 1.00 0.00 H new ATOM 0 HG SER A 125 0.711 -1.616 21.169 1.00 0.00 H new ATOM 1854 N SER A 126 -1.564 2.263 19.508 1.00 0.00 N ATOM 1855 CA SER A 126 -2.738 3.051 19.840 1.00 0.00 C ATOM 1856 C SER A 126 -3.696 2.226 20.701 1.00 0.00 C ATOM 1857 O SER A 126 -4.248 1.228 20.240 1.00 0.00 O ATOM 1858 CB SER A 126 -3.449 3.540 18.576 1.00 0.00 C ATOM 1859 OG SER A 126 -3.584 4.959 18.555 1.00 0.00 O ATOM 0 H SER A 126 -1.642 1.724 18.646 1.00 0.00 H new ATOM 0 HA SER A 126 -2.414 3.926 20.404 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.891 3.216 17.698 1.00 0.00 H new ATOM 0 HB3 SER A 126 -4.436 3.081 18.514 1.00 0.00 H new ATOM 0 HG SER A 126 -4.041 5.232 17.732 1.00 0.00 H new ATOM 1865 N GLY A 127 -3.864 2.673 21.937 1.00 0.00 N ATOM 1866 CA GLY A 127 -4.746 1.988 22.867 1.00 0.00 C ATOM 1867 C GLY A 127 -4.281 2.188 24.311 1.00 0.00 C ATOM 1868 O GLY A 127 -3.988 3.309 24.724 1.00 0.00 O ATOM 0 H GLY A 127 -3.404 3.501 22.316 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -5.763 2.364 22.753 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -4.771 0.924 22.633 1.00 0.00 H new TER 1872 GLY A 127