USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 795 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 67 TYR OH : rot 7:sc= -9.74! USER MOD Set 1.2: A 77 MET CE :methyl -148:sc= -9.53! (180deg=-7.53!) USER MOD Set 2.1: A 48 ASN : amide:sc= -4.25! C(o=-10!,f=-8.7!) USER MOD Set 2.2: A 80 CYS SG : rot -35:sc= -6.12! USER MOD Set 3.1: A 23 HIS : no HE2:sc= -0.253 K(o=-0.51,f=-3) USER MOD Set 3.2: A 24 HIS : no HD1:sc= -0.261 X(o=-0.51,f=-0.85) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -88:sc= -1.39! USER MOD Single : A 14 CYS SG : rot 61:sc= -4.59 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00849 USER MOD Single : A 25 THR OG1 : rot 153:sc= -1.66! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.89 K(o=-1.9,f=-0.52) USER MOD Single : A 32 LYS NZ :NH3+ -179:sc= -4.97! (180deg=-5.06!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -3.74! C(o=-3.7!,f=-2.6!) USER MOD Single : A 36 SER OG : rot 140:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -13.5! C(o=-14!,f=-14!) USER MOD Single : A 53 SER OG : rot 180:sc= -0.066 USER MOD Single : A 55 MET CE :methyl 156:sc= -21! (180deg=-21.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00677 USER MOD Single : A 58 SER OG : rot -160:sc= -0.459 USER MOD Single : A 68 LYS NZ :NH3+ 134:sc= -0.278 (180deg=-3.7!) USER MOD Single : A 69 GLN : amide:sc= -2.73! C(o=-2.7!,f=-3.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00491 X(o=-0.0049,f=-0.053) USER MOD Single : A 83 SER OG : rot 180:sc= -1.03 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 MET CE :methyl 175:sc= 0 (180deg=-0.0382) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc=-0.00584 X(o=-0.0058,f=-0.21) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -12.7! C(o=-13!,f=-12!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.315 -16.116 -1.111 1.00 0.00 N ATOM 2 CA SER A 1 -10.620 -15.068 -0.153 1.00 0.00 C ATOM 3 C SER A 1 -9.709 -13.861 -0.390 1.00 0.00 C ATOM 4 O SER A 1 -10.124 -12.877 -1.001 1.00 0.00 O ATOM 5 CB SER A 1 -10.468 -15.572 1.284 1.00 0.00 C ATOM 6 OG SER A 1 -11.713 -15.590 1.978 1.00 0.00 O ATOM 0 H1 SER A 1 -10.938 -16.932 -0.943 1.00 0.00 H new ATOM 0 H2 SER A 1 -10.465 -15.759 -2.076 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.323 -16.409 -1.001 1.00 0.00 H new ATOM 0 HA SER A 1 -11.658 -14.767 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 1 -10.044 -16.576 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.764 -14.935 1.819 1.00 0.00 H new ATOM 0 HG SER A 1 -11.574 -15.919 2.891 1.00 0.00 H new ATOM 11 N LEU A 2 -8.486 -13.976 0.106 1.00 0.00 N ATOM 12 CA LEU A 2 -7.514 -12.907 -0.045 1.00 0.00 C ATOM 13 C LEU A 2 -6.117 -13.511 -0.199 1.00 0.00 C ATOM 14 O LEU A 2 -5.775 -14.475 0.485 1.00 0.00 O ATOM 15 CB LEU A 2 -7.630 -11.911 1.111 1.00 0.00 C ATOM 16 CG LEU A 2 -6.484 -10.906 1.247 1.00 0.00 C ATOM 17 CD1 LEU A 2 -6.814 -9.598 0.525 1.00 0.00 C ATOM 18 CD2 LEU A 2 -6.128 -10.675 2.716 1.00 0.00 C ATOM 0 H LEU A 2 -8.146 -14.793 0.613 1.00 0.00 H new ATOM 0 HA LEU A 2 -7.715 -12.334 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.561 -11.357 0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.707 -12.472 2.042 1.00 0.00 H new ATOM 0 HG LEU A 2 -5.602 -11.327 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.983 -8.901 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.979 -9.798 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.715 -9.161 0.957 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.311 -9.957 2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.998 -10.286 3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.821 -11.618 3.169 1.00 0.00 H new ATOM 29 N GLY A 3 -5.348 -12.921 -1.102 1.00 0.00 N ATOM 30 CA GLY A 3 -3.995 -13.390 -1.354 1.00 0.00 C ATOM 31 C GLY A 3 -2.970 -12.531 -0.612 1.00 0.00 C ATOM 32 O GLY A 3 -3.322 -11.793 0.307 1.00 0.00 O ATOM 0 H GLY A 3 -5.635 -12.123 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.902 -14.429 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.790 -13.363 -2.424 1.00 0.00 H new ATOM 36 N ILE A 4 -1.722 -12.655 -1.039 1.00 0.00 N ATOM 37 CA ILE A 4 -0.643 -11.900 -0.425 1.00 0.00 C ATOM 38 C ILE A 4 0.686 -12.310 -1.061 1.00 0.00 C ATOM 39 O ILE A 4 0.925 -13.492 -1.302 1.00 0.00 O ATOM 40 CB ILE A 4 -0.673 -12.060 1.096 1.00 0.00 C ATOM 41 CG1 ILE A 4 -0.436 -10.720 1.794 1.00 0.00 C ATOM 42 CG2 ILE A 4 0.322 -13.129 1.554 1.00 0.00 C ATOM 43 CD1 ILE A 4 0.576 -9.871 1.021 1.00 0.00 C ATOM 0 H ILE A 4 -1.434 -13.267 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.771 -10.834 -0.611 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.668 -12.401 1.384 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.379 -10.179 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -0.073 -10.893 2.807 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.281 -13.223 2.639 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.065 -14.085 1.097 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.329 -12.842 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 4 0.727 -8.924 1.538 1.00 0.00 H new ATOM 0 HD12 ILE A 4 1.525 -10.404 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 4 0.199 -9.680 0.016 1.00 0.00 H new ATOM 54 N ASP A 5 1.518 -11.310 -1.315 1.00 0.00 N ATOM 55 CA ASP A 5 2.818 -11.552 -1.919 1.00 0.00 C ATOM 56 C ASP A 5 3.799 -10.472 -1.459 1.00 0.00 C ATOM 57 O ASP A 5 3.426 -9.306 -1.325 1.00 0.00 O ATOM 58 CB ASP A 5 2.735 -11.496 -3.446 1.00 0.00 C ATOM 59 CG ASP A 5 3.488 -12.610 -4.175 1.00 0.00 C ATOM 60 OD1 ASP A 5 2.885 -13.443 -4.867 1.00 0.00 O ATOM 61 OD2 ASP A 5 4.768 -12.602 -4.009 1.00 0.00 O ATOM 0 H ASP A 5 1.317 -10.330 -1.114 1.00 0.00 H new ATOM 0 HA ASP A 5 3.153 -12.543 -1.612 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.686 -11.535 -3.740 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.125 -10.535 -3.781 1.00 0.00 H new ATOM 66 N MET A 6 5.032 -10.896 -1.229 1.00 0.00 N ATOM 67 CA MET A 6 6.069 -9.979 -0.787 1.00 0.00 C ATOM 68 C MET A 6 7.324 -10.113 -1.651 1.00 0.00 C ATOM 69 O MET A 6 7.767 -11.223 -1.942 1.00 0.00 O ATOM 70 CB MET A 6 6.420 -10.271 0.673 1.00 0.00 C ATOM 71 CG MET A 6 5.338 -9.738 1.615 1.00 0.00 C ATOM 72 SD MET A 6 5.621 -10.338 3.272 1.00 0.00 S ATOM 73 CE MET A 6 6.493 -8.942 3.962 1.00 0.00 C ATOM 0 H MET A 6 5.337 -11.863 -1.340 1.00 0.00 H new ATOM 0 HA MET A 6 5.692 -8.961 -0.883 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.534 -11.346 0.815 1.00 0.00 H new ATOM 0 HB3 MET A 6 7.378 -9.814 0.919 1.00 0.00 H new ATOM 0 HG2 MET A 6 5.343 -8.648 1.608 1.00 0.00 H new ATOM 0 HG3 MET A 6 4.354 -10.054 1.268 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.748 -9.150 5.001 1.00 0.00 H new ATOM 0 HE2 MET A 6 7.406 -8.766 3.393 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.859 -8.057 3.914 1.00 0.00 H new ATOM 81 N ASN A 7 7.864 -8.966 -2.037 1.00 0.00 N ATOM 82 CA ASN A 7 9.059 -8.940 -2.861 1.00 0.00 C ATOM 83 C ASN A 7 9.968 -7.800 -2.400 1.00 0.00 C ATOM 84 O ASN A 7 9.488 -6.724 -2.044 1.00 0.00 O ATOM 85 CB ASN A 7 8.710 -8.702 -4.332 1.00 0.00 C ATOM 86 CG ASN A 7 9.148 -9.884 -5.199 1.00 0.00 C ATOM 87 OD1 ASN A 7 8.370 -10.760 -5.537 1.00 0.00 O ATOM 88 ND2 ASN A 7 10.434 -9.858 -5.540 1.00 0.00 N ATOM 0 H ASN A 7 7.495 -8.047 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 7 9.558 -9.904 -2.760 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.635 -8.550 -4.434 1.00 0.00 H new ATOM 0 HB3 ASN A 7 9.195 -7.791 -4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 7 10.823 -10.602 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.030 -9.094 -5.222 1.00 0.00 H new ATOM 94 N VAL A 8 11.264 -8.074 -2.421 1.00 0.00 N ATOM 95 CA VAL A 8 12.245 -7.083 -2.010 1.00 0.00 C ATOM 96 C VAL A 8 13.070 -6.652 -3.224 1.00 0.00 C ATOM 97 O VAL A 8 13.452 -7.484 -4.046 1.00 0.00 O ATOM 98 CB VAL A 8 13.103 -7.639 -0.870 1.00 0.00 C ATOM 99 CG1 VAL A 8 14.497 -8.020 -1.371 1.00 0.00 C ATOM 100 CG2 VAL A 8 13.189 -6.641 0.287 1.00 0.00 C ATOM 0 H VAL A 8 11.658 -8.967 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 8 11.749 -6.193 -1.623 1.00 0.00 H new ATOM 0 HB VAL A 8 12.622 -8.543 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.087 -8.412 -0.542 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.410 -8.781 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 8 14.989 -7.139 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 8 13.804 -7.060 1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.636 -5.712 -0.066 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.188 -6.439 0.669 1.00 0.00 H new ATOM 110 N LYS A 9 13.320 -5.353 -3.299 1.00 0.00 N ATOM 111 CA LYS A 9 14.092 -4.803 -4.399 1.00 0.00 C ATOM 112 C LYS A 9 14.982 -3.673 -3.876 1.00 0.00 C ATOM 113 O LYS A 9 14.501 -2.574 -3.602 1.00 0.00 O ATOM 114 CB LYS A 9 13.168 -4.378 -5.542 1.00 0.00 C ATOM 115 CG LYS A 9 11.751 -4.913 -5.329 1.00 0.00 C ATOM 116 CD LYS A 9 11.662 -6.394 -5.701 1.00 0.00 C ATOM 117 CE LYS A 9 10.694 -6.610 -6.867 1.00 0.00 C ATOM 118 NZ LYS A 9 11.436 -6.938 -8.104 1.00 0.00 N ATOM 0 H LYS A 9 13.001 -4.666 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 9 14.752 -5.562 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.144 -3.290 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.562 -4.747 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.460 -4.778 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.048 -4.340 -5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.651 -6.765 -5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.331 -6.970 -4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.001 -7.417 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.096 -5.712 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.764 -7.081 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.080 -6.156 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.987 -7.808 -7.958 1.00 0.00 H new ATOM 127 N GLU A 10 16.265 -3.982 -3.754 1.00 0.00 N ATOM 128 CA GLU A 10 17.227 -3.005 -3.269 1.00 0.00 C ATOM 129 C GLU A 10 16.899 -2.609 -1.829 1.00 0.00 C ATOM 130 O GLU A 10 17.782 -2.192 -1.080 1.00 0.00 O ATOM 131 CB GLU A 10 17.268 -1.777 -4.180 1.00 0.00 C ATOM 132 CG GLU A 10 17.904 -0.584 -3.464 1.00 0.00 C ATOM 133 CD GLU A 10 18.746 0.250 -4.430 1.00 0.00 C ATOM 134 OE1 GLU A 10 18.199 0.874 -5.351 1.00 0.00 O ATOM 135 OE2 GLU A 10 20.015 0.238 -4.196 1.00 0.00 O ATOM 0 H GLU A 10 16.661 -4.894 -3.982 1.00 0.00 H new ATOM 0 HA GLU A 10 18.217 -3.460 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 10 17.834 -2.008 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 10 16.257 -1.520 -4.495 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.125 0.039 -3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 10 18.529 -0.938 -2.644 1.00 0.00 H new ATOM 141 N SER A 11 15.628 -2.752 -1.483 1.00 0.00 N ATOM 142 CA SER A 11 15.173 -2.414 -0.145 1.00 0.00 C ATOM 143 C SER A 11 13.662 -2.180 -0.149 1.00 0.00 C ATOM 144 O SER A 11 13.058 -1.974 0.902 1.00 0.00 O ATOM 145 CB SER A 11 15.900 -1.177 0.387 1.00 0.00 C ATOM 146 OG SER A 11 16.537 -0.442 -0.655 1.00 0.00 O ATOM 0 H SER A 11 14.899 -3.098 -2.107 1.00 0.00 H new ATOM 0 HA SER A 11 15.402 -3.250 0.516 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.188 -0.532 0.903 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.644 -1.482 1.122 1.00 0.00 H new ATOM 0 HG SER A 11 17.439 -0.796 -0.801 1.00 0.00 H new ATOM 151 N VAL A 12 13.093 -2.218 -1.346 1.00 0.00 N ATOM 152 CA VAL A 12 11.662 -2.013 -1.501 1.00 0.00 C ATOM 153 C VAL A 12 10.935 -3.342 -1.290 1.00 0.00 C ATOM 154 O VAL A 12 11.216 -4.324 -1.976 1.00 0.00 O ATOM 155 CB VAL A 12 11.369 -1.382 -2.864 1.00 0.00 C ATOM 156 CG1 VAL A 12 11.601 -2.385 -3.994 1.00 0.00 C ATOM 157 CG2 VAL A 12 9.948 -0.819 -2.912 1.00 0.00 C ATOM 0 H VAL A 12 13.597 -2.388 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 12 11.292 -1.317 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 12 12.063 -0.553 -3.006 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.385 -1.911 -4.951 1.00 0.00 H new ATOM 0 HG12 VAL A 12 12.639 -2.716 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.944 -3.244 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.765 -0.376 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 12 9.232 -1.622 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 12 9.833 -0.057 -2.142 1.00 0.00 H new ATOM 167 N LEU A 13 10.015 -3.331 -0.336 1.00 0.00 N ATOM 168 CA LEU A 13 9.244 -4.524 -0.026 1.00 0.00 C ATOM 169 C LEU A 13 7.908 -4.470 -0.768 1.00 0.00 C ATOM 170 O LEU A 13 6.966 -3.822 -0.313 1.00 0.00 O ATOM 171 CB LEU A 13 9.101 -4.689 1.488 1.00 0.00 C ATOM 172 CG LEU A 13 9.701 -3.573 2.345 1.00 0.00 C ATOM 173 CD1 LEU A 13 8.659 -2.495 2.650 1.00 0.00 C ATOM 174 CD2 LEU A 13 10.331 -4.138 3.620 1.00 0.00 C ATOM 0 H LEU A 13 9.786 -2.515 0.232 1.00 0.00 H new ATOM 0 HA LEU A 13 9.765 -5.416 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.040 -4.772 1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.567 -5.631 1.776 1.00 0.00 H new ATOM 0 HG LEU A 13 10.499 -3.097 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.112 -1.714 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.299 -2.063 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.823 -2.939 3.191 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.750 -3.323 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.570 -4.655 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.123 -4.839 3.355 1.00 0.00 H new ATOM 185 N CYS A 14 7.867 -5.160 -1.898 1.00 0.00 N ATOM 186 CA CYS A 14 6.661 -5.199 -2.709 1.00 0.00 C ATOM 187 C CYS A 14 5.639 -6.094 -2.006 1.00 0.00 C ATOM 188 O CYS A 14 5.956 -7.219 -1.618 1.00 0.00 O ATOM 189 CB CYS A 14 6.951 -5.674 -4.133 1.00 0.00 C ATOM 190 SG CYS A 14 8.678 -5.271 -4.588 1.00 0.00 S ATOM 0 H CYS A 14 8.650 -5.697 -2.272 1.00 0.00 H new ATOM 0 HA CYS A 14 6.254 -4.193 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.788 -6.749 -4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.262 -5.199 -4.831 1.00 0.00 H new ATOM 0 HG CYS A 14 9.493 -5.884 -3.783 1.00 0.00 H new ATOM 195 N ILE A 15 4.434 -5.564 -1.862 1.00 0.00 N ATOM 196 CA ILE A 15 3.364 -6.301 -1.212 1.00 0.00 C ATOM 197 C ILE A 15 2.213 -6.498 -2.202 1.00 0.00 C ATOM 198 O ILE A 15 1.361 -5.623 -2.351 1.00 0.00 O ATOM 199 CB ILE A 15 2.946 -5.607 0.086 1.00 0.00 C ATOM 200 CG1 ILE A 15 3.780 -6.108 1.267 1.00 0.00 C ATOM 201 CG2 ILE A 15 1.445 -5.767 0.334 1.00 0.00 C ATOM 202 CD1 ILE A 15 5.275 -6.053 0.947 1.00 0.00 C ATOM 0 H ILE A 15 4.174 -4.632 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 15 3.708 -7.293 -0.919 1.00 0.00 H new ATOM 0 HB ILE A 15 3.142 -4.540 -0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.571 -5.501 2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.494 -7.131 1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.174 -5.265 1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.890 -5.324 -0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.200 -6.826 0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.844 -6.415 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.485 -6.680 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.563 -5.025 0.728 1.00 0.00 H new ATOM 213 N ARG A 16 2.224 -7.653 -2.851 1.00 0.00 N ATOM 214 CA ARG A 16 1.193 -7.976 -3.821 1.00 0.00 C ATOM 215 C ARG A 16 0.160 -8.922 -3.204 1.00 0.00 C ATOM 216 O ARG A 16 0.435 -10.105 -3.010 1.00 0.00 O ATOM 217 CB ARG A 16 1.793 -8.631 -5.066 1.00 0.00 C ATOM 218 CG ARG A 16 1.780 -7.667 -6.254 1.00 0.00 C ATOM 219 CD ARG A 16 3.071 -7.782 -7.068 1.00 0.00 C ATOM 220 NE ARG A 16 2.921 -7.072 -8.358 1.00 0.00 N ATOM 221 CZ ARG A 16 2.320 -7.598 -9.447 1.00 0.00 C ATOM 222 NH1 ARG A 16 1.809 -8.846 -9.411 1.00 0.00 N ATOM 223 NH2 ARG A 16 2.242 -6.873 -10.548 1.00 0.00 N ATOM 0 H ARG A 16 2.931 -8.377 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 16 0.709 -7.044 -4.112 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.816 -8.944 -4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.229 -9.529 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.923 -7.882 -6.892 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.662 -6.644 -5.896 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.904 -7.360 -6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.306 -8.831 -7.246 1.00 0.00 H new ATOM 0 HE ARG A 16 3.295 -6.126 -8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.875 -9.400 -8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.357 -9.236 -10.238 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.632 -5.931 -10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.791 -7.255 -11.379 1.00 0.00 H new ATOM 233 N LEU A 17 -1.005 -8.364 -2.912 1.00 0.00 N ATOM 234 CA LEU A 17 -2.080 -9.143 -2.320 1.00 0.00 C ATOM 235 C LEU A 17 -3.288 -9.133 -3.258 1.00 0.00 C ATOM 236 O LEU A 17 -3.642 -8.091 -3.809 1.00 0.00 O ATOM 237 CB LEU A 17 -2.393 -8.640 -0.909 1.00 0.00 C ATOM 238 CG LEU A 17 -3.302 -7.413 -0.821 1.00 0.00 C ATOM 239 CD1 LEU A 17 -2.693 -6.223 -1.563 1.00 0.00 C ATOM 240 CD2 LEU A 17 -4.711 -7.739 -1.322 1.00 0.00 C ATOM 0 H LEU A 17 -1.229 -7.382 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.776 -10.183 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.857 -9.452 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.452 -8.407 -0.411 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.389 -7.128 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.360 -5.365 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.728 -5.974 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.556 -6.481 -2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.338 -6.850 -1.249 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.662 -8.064 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.139 -8.535 -0.713 1.00 0.00 H new ATOM 251 N THR A 18 -3.888 -10.304 -3.412 1.00 0.00 N ATOM 252 CA THR A 18 -5.050 -10.443 -4.274 1.00 0.00 C ATOM 253 C THR A 18 -6.240 -10.985 -3.481 1.00 0.00 C ATOM 254 O THR A 18 -6.181 -12.091 -2.945 1.00 0.00 O ATOM 255 CB THR A 18 -4.655 -11.326 -5.460 1.00 0.00 C ATOM 256 OG1 THR A 18 -3.651 -12.188 -4.932 1.00 0.00 O ATOM 257 CG2 THR A 18 -3.935 -10.544 -6.559 1.00 0.00 C ATOM 0 H THR A 18 -3.591 -11.166 -2.954 1.00 0.00 H new ATOM 0 HA THR A 18 -5.373 -9.477 -4.663 1.00 0.00 H new ATOM 0 HB THR A 18 -5.547 -11.796 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.339 -12.796 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.677 -11.218 -7.376 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.588 -9.755 -6.932 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.025 -10.101 -6.154 1.00 0.00 H new ATOM 265 N GLY A 19 -7.293 -10.183 -3.434 1.00 0.00 N ATOM 266 CA GLY A 19 -8.496 -10.569 -2.716 1.00 0.00 C ATOM 267 C GLY A 19 -9.409 -9.363 -2.487 1.00 0.00 C ATOM 268 O GLY A 19 -9.749 -8.649 -3.429 1.00 0.00 O ATOM 0 H GLY A 19 -7.338 -9.267 -3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.031 -11.333 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.225 -11.012 -1.757 1.00 0.00 H new ATOM 272 N GLU A 20 -9.780 -9.171 -1.229 1.00 0.00 N ATOM 273 CA GLU A 20 -10.647 -8.063 -0.865 1.00 0.00 C ATOM 274 C GLU A 20 -9.953 -7.162 0.159 1.00 0.00 C ATOM 275 O GLU A 20 -9.070 -7.610 0.887 1.00 0.00 O ATOM 276 CB GLU A 20 -11.988 -8.569 -0.332 1.00 0.00 C ATOM 277 CG GLU A 20 -13.082 -8.449 -1.394 1.00 0.00 C ATOM 278 CD GLU A 20 -13.273 -9.773 -2.136 1.00 0.00 C ATOM 279 OE1 GLU A 20 -12.488 -10.096 -3.040 1.00 0.00 O ATOM 280 OE2 GLU A 20 -14.281 -10.477 -1.744 1.00 0.00 O ATOM 0 H GLU A 20 -9.496 -9.764 -0.449 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.849 -7.474 -1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.891 -9.609 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.271 -7.998 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.020 -8.153 -0.924 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.820 -7.665 -2.104 1.00 0.00 H new ATOM 286 N LEU A 21 -10.382 -5.908 0.182 1.00 0.00 N ATOM 287 CA LEU A 21 -9.814 -4.940 1.105 1.00 0.00 C ATOM 288 C LEU A 21 -10.868 -4.555 2.146 1.00 0.00 C ATOM 289 O LEU A 21 -11.630 -3.612 1.943 1.00 0.00 O ATOM 290 CB LEU A 21 -9.239 -3.746 0.341 1.00 0.00 C ATOM 291 CG LEU A 21 -7.821 -3.919 -0.205 1.00 0.00 C ATOM 292 CD1 LEU A 21 -7.296 -2.608 -0.795 1.00 0.00 C ATOM 293 CD2 LEU A 21 -6.885 -4.481 0.867 1.00 0.00 C ATOM 0 H LEU A 21 -11.116 -5.540 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.975 -5.376 1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.903 -3.520 -0.493 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.250 -2.879 1.001 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.854 -4.646 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.286 -2.759 -1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.947 -2.289 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.281 -1.841 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.883 -4.594 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.851 -3.797 1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.253 -5.452 1.198 1.00 0.00 H new ATOM 304 N ASP A 22 -10.876 -5.305 3.239 1.00 0.00 N ATOM 305 CA ASP A 22 -11.822 -5.054 4.312 1.00 0.00 C ATOM 306 C ASP A 22 -11.148 -5.334 5.656 1.00 0.00 C ATOM 307 O ASP A 22 -10.075 -5.932 5.705 1.00 0.00 O ATOM 308 CB ASP A 22 -13.043 -5.970 4.195 1.00 0.00 C ATOM 309 CG ASP A 22 -12.994 -6.968 3.035 1.00 0.00 C ATOM 310 OD1 ASP A 22 -13.371 -8.139 3.185 1.00 0.00 O ATOM 311 OD2 ASP A 22 -12.540 -6.492 1.926 1.00 0.00 O ATOM 0 H ASP A 22 -10.242 -6.087 3.404 1.00 0.00 H new ATOM 0 HA ASP A 22 -12.143 -4.015 4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.153 -6.524 5.127 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -13.934 -5.351 4.085 1.00 0.00 H new ATOM 316 N HIS A 23 -11.807 -4.888 6.716 1.00 0.00 N ATOM 317 CA HIS A 23 -11.285 -5.082 8.058 1.00 0.00 C ATOM 318 C HIS A 23 -10.741 -6.505 8.196 1.00 0.00 C ATOM 319 O HIS A 23 -9.832 -6.752 8.986 1.00 0.00 O ATOM 320 CB HIS A 23 -12.347 -4.749 9.108 1.00 0.00 C ATOM 321 CG HIS A 23 -13.216 -5.922 9.495 1.00 0.00 C ATOM 322 ND1 HIS A 23 -12.953 -6.718 10.596 1.00 0.00 N ATOM 323 CD2 HIS A 23 -14.345 -6.423 8.919 1.00 0.00 C ATOM 324 CE1 HIS A 23 -13.888 -7.653 10.668 1.00 0.00 C ATOM 325 NE2 HIS A 23 -14.750 -7.470 9.628 1.00 0.00 N ATOM 0 H HIS A 23 -12.698 -4.393 6.672 1.00 0.00 H new ATOM 0 HA HIS A 23 -10.457 -4.395 8.233 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.853 -4.366 10.001 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.982 -3.949 8.727 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -12.172 -6.604 11.242 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.829 -6.034 8.035 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -13.956 -8.426 11.420 1.00 0.00 H new ATOM 332 N HIS A 24 -11.321 -7.404 7.414 1.00 0.00 N ATOM 333 CA HIS A 24 -10.904 -8.796 7.439 1.00 0.00 C ATOM 334 C HIS A 24 -9.556 -8.942 6.732 1.00 0.00 C ATOM 335 O HIS A 24 -8.612 -9.496 7.295 1.00 0.00 O ATOM 336 CB HIS A 24 -11.987 -9.696 6.841 1.00 0.00 C ATOM 337 CG HIS A 24 -12.997 -10.195 7.847 1.00 0.00 C ATOM 338 ND1 HIS A 24 -14.342 -9.875 7.782 1.00 0.00 N ATOM 339 CD2 HIS A 24 -12.844 -10.992 8.943 1.00 0.00 C ATOM 340 CE1 HIS A 24 -14.961 -10.458 8.798 1.00 0.00 C ATOM 341 NE2 HIS A 24 -14.031 -11.150 9.516 1.00 0.00 N ATOM 0 H HIS A 24 -12.075 -7.196 6.760 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.770 -9.121 8.471 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -12.510 -9.146 6.059 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.510 -10.553 6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.915 -11.422 9.287 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -16.016 -10.396 9.019 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.217 -11.699 10.355 1.00 0.00 H new ATOM 348 N THR A 25 -9.507 -8.434 5.509 1.00 0.00 N ATOM 349 CA THR A 25 -8.289 -8.500 4.719 1.00 0.00 C ATOM 350 C THR A 25 -7.312 -7.405 5.152 1.00 0.00 C ATOM 351 O THR A 25 -6.099 -7.571 5.041 1.00 0.00 O ATOM 352 CB THR A 25 -8.678 -8.420 3.243 1.00 0.00 C ATOM 353 OG1 THR A 25 -8.705 -7.022 2.967 1.00 0.00 O ATOM 354 CG2 THR A 25 -10.116 -8.878 2.990 1.00 0.00 C ATOM 0 H THR A 25 -10.291 -7.975 5.046 1.00 0.00 H new ATOM 0 HA THR A 25 -7.764 -9.441 4.880 1.00 0.00 H new ATOM 0 HB THR A 25 -7.994 -9.031 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.513 -6.872 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.341 -8.801 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.230 -9.913 3.311 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.803 -8.246 3.552 1.00 0.00 H new ATOM 362 N ALA A 26 -7.878 -6.309 5.636 1.00 0.00 N ATOM 363 CA ALA A 26 -7.073 -5.186 6.085 1.00 0.00 C ATOM 364 C ALA A 26 -6.247 -5.611 7.300 1.00 0.00 C ATOM 365 O ALA A 26 -5.256 -4.966 7.637 1.00 0.00 O ATOM 366 CB ALA A 26 -7.984 -3.994 6.386 1.00 0.00 C ATOM 0 H ALA A 26 -8.885 -6.175 5.727 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.377 -4.875 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.381 -3.151 6.723 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.527 -3.714 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.694 -4.267 7.167 1.00 0.00 H new ATOM 372 N GLU A 27 -6.686 -6.694 7.926 1.00 0.00 N ATOM 373 CA GLU A 27 -6.000 -7.213 9.096 1.00 0.00 C ATOM 374 C GLU A 27 -4.661 -7.836 8.693 1.00 0.00 C ATOM 375 O GLU A 27 -3.637 -7.576 9.323 1.00 0.00 O ATOM 376 CB GLU A 27 -6.873 -8.223 9.842 1.00 0.00 C ATOM 377 CG GLU A 27 -7.054 -7.816 11.305 1.00 0.00 C ATOM 378 CD GLU A 27 -8.363 -7.050 11.505 1.00 0.00 C ATOM 379 OE1 GLU A 27 -9.426 -7.668 11.662 1.00 0.00 O ATOM 380 OE2 GLU A 27 -8.251 -5.765 11.491 1.00 0.00 O ATOM 0 H GLU A 27 -7.509 -7.226 7.644 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.803 -6.383 9.775 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.847 -8.295 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.417 -9.212 9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -7.049 -8.705 11.936 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.214 -7.196 11.620 1.00 0.00 H new ATOM 386 N THR A 28 -4.714 -8.648 7.648 1.00 0.00 N ATOM 387 CA THR A 28 -3.519 -9.310 7.154 1.00 0.00 C ATOM 388 C THR A 28 -2.383 -8.300 6.977 1.00 0.00 C ATOM 389 O THR A 28 -1.293 -8.485 7.516 1.00 0.00 O ATOM 390 CB THR A 28 -3.885 -10.046 5.863 1.00 0.00 C ATOM 391 OG1 THR A 28 -4.946 -10.916 6.248 1.00 0.00 O ATOM 392 CG2 THR A 28 -2.779 -10.993 5.395 1.00 0.00 C ATOM 0 H THR A 28 -5.566 -8.863 7.130 1.00 0.00 H new ATOM 0 HA THR A 28 -3.150 -10.044 7.870 1.00 0.00 H new ATOM 0 HB THR A 28 -4.096 -9.319 5.079 1.00 0.00 H new ATOM 0 HG1 THR A 28 -5.246 -11.431 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.090 -11.489 4.476 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.867 -10.425 5.210 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.590 -11.741 6.165 1.00 0.00 H new ATOM 400 N LEU A 29 -2.678 -7.255 6.217 1.00 0.00 N ATOM 401 CA LEU A 29 -1.695 -6.215 5.962 1.00 0.00 C ATOM 402 C LEU A 29 -1.362 -5.501 7.273 1.00 0.00 C ATOM 403 O LEU A 29 -0.360 -4.793 7.362 1.00 0.00 O ATOM 404 CB LEU A 29 -2.183 -5.277 4.857 1.00 0.00 C ATOM 405 CG LEU A 29 -1.488 -3.916 4.777 1.00 0.00 C ATOM 406 CD1 LEU A 29 -1.810 -3.063 6.005 1.00 0.00 C ATOM 407 CD2 LEU A 29 0.019 -4.081 4.573 1.00 0.00 C ATOM 0 H LEU A 29 -3.583 -7.106 5.770 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.767 -6.650 5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.061 -5.782 3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.251 -5.110 4.995 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.874 -3.386 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.304 -2.101 5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.886 -2.902 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.470 -3.577 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.489 -3.099 4.520 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.440 -4.640 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.203 -4.622 3.645 1.00 0.00 H new ATOM 418 N LYS A 30 -2.223 -5.710 8.259 1.00 0.00 N ATOM 419 CA LYS A 30 -2.033 -5.095 9.561 1.00 0.00 C ATOM 420 C LYS A 30 -0.791 -5.692 10.227 1.00 0.00 C ATOM 421 O LYS A 30 -0.026 -4.980 10.875 1.00 0.00 O ATOM 422 CB LYS A 30 -3.303 -5.221 10.404 1.00 0.00 C ATOM 423 CG LYS A 30 -3.587 -3.925 11.167 1.00 0.00 C ATOM 424 CD LYS A 30 -4.008 -4.217 12.609 1.00 0.00 C ATOM 425 CE LYS A 30 -2.786 -4.385 13.514 1.00 0.00 C ATOM 426 NZ LYS A 30 -3.034 -3.772 14.837 1.00 0.00 N ATOM 0 H LYS A 30 -3.054 -6.297 8.182 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.854 -4.025 9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.149 -5.460 9.760 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.196 -6.046 11.109 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.697 -3.295 11.165 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.374 -3.366 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.632 -3.404 12.981 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.614 -5.123 12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.558 -5.444 13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.915 -3.922 13.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.195 -3.895 15.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.230 -2.757 14.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.852 -4.232 15.285 1.00 0.00 H new ATOM 435 N GLN A 31 -0.630 -6.995 10.044 1.00 0.00 N ATOM 436 CA GLN A 31 0.505 -7.696 10.619 1.00 0.00 C ATOM 437 C GLN A 31 1.802 -7.256 9.937 1.00 0.00 C ATOM 438 O GLN A 31 2.822 -7.068 10.598 1.00 0.00 O ATOM 439 CB GLN A 31 0.320 -9.212 10.519 1.00 0.00 C ATOM 440 CG GLN A 31 0.801 -9.734 9.164 1.00 0.00 C ATOM 441 CD GLN A 31 0.113 -11.054 8.810 1.00 0.00 C ATOM 442 OE1 GLN A 31 0.747 -12.065 8.555 1.00 0.00 O ATOM 443 NE2 GLN A 31 -1.216 -10.989 8.809 1.00 0.00 N ATOM 0 H GLN A 31 -1.267 -7.583 9.506 1.00 0.00 H new ATOM 0 HA GLN A 31 0.569 -7.439 11.676 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.873 -9.703 11.319 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.731 -9.464 10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.595 -8.994 8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.881 -9.878 9.188 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.684 -10.110 9.032 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.767 -11.818 8.586 1.00 0.00 H new ATOM 450 N LYS A 32 1.720 -7.103 8.623 1.00 0.00 N ATOM 451 CA LYS A 32 2.874 -6.687 7.845 1.00 0.00 C ATOM 452 C LYS A 32 3.276 -5.269 8.253 1.00 0.00 C ATOM 453 O LYS A 32 4.351 -4.794 7.888 1.00 0.00 O ATOM 454 CB LYS A 32 2.595 -6.841 6.348 1.00 0.00 C ATOM 455 CG LYS A 32 1.092 -6.948 6.080 1.00 0.00 C ATOM 456 CD LYS A 32 0.714 -8.363 5.640 1.00 0.00 C ATOM 457 CE LYS A 32 1.108 -8.608 4.181 1.00 0.00 C ATOM 458 NZ LYS A 32 2.372 -7.908 3.862 1.00 0.00 N ATOM 0 H LYS A 32 0.872 -7.260 8.078 1.00 0.00 H new ATOM 0 HA LYS A 32 3.727 -7.332 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.005 -5.987 5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.100 -7.730 5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.538 -6.683 6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.805 -6.234 5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.210 -9.092 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.359 -8.510 5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.223 -9.677 4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.315 -8.258 3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.616 -8.070 2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.256 -6.888 4.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.134 -8.273 4.469 1.00 0.00 H new ATOM 467 N VAL A 33 2.391 -4.631 9.006 1.00 0.00 N ATOM 468 CA VAL A 33 2.640 -3.276 9.468 1.00 0.00 C ATOM 469 C VAL A 33 3.717 -3.302 10.555 1.00 0.00 C ATOM 470 O VAL A 33 4.749 -2.645 10.428 1.00 0.00 O ATOM 471 CB VAL A 33 1.332 -2.634 9.936 1.00 0.00 C ATOM 472 CG1 VAL A 33 1.520 -1.139 10.201 1.00 0.00 C ATOM 473 CG2 VAL A 33 0.210 -2.877 8.926 1.00 0.00 C ATOM 0 H VAL A 33 1.501 -5.028 9.307 1.00 0.00 H new ATOM 0 HA VAL A 33 3.016 -2.657 8.653 1.00 0.00 H new ATOM 0 HB VAL A 33 1.043 -3.106 10.875 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.576 -0.707 10.532 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.275 -0.999 10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.844 -0.645 9.285 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.708 -2.410 9.283 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.486 -2.445 7.964 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.051 -3.949 8.810 1.00 0.00 H new ATOM 483 N THR A 34 3.439 -4.069 11.599 1.00 0.00 N ATOM 484 CA THR A 34 4.371 -4.190 12.708 1.00 0.00 C ATOM 485 C THR A 34 5.763 -4.568 12.196 1.00 0.00 C ATOM 486 O THR A 34 6.768 -4.064 12.694 1.00 0.00 O ATOM 487 CB THR A 34 3.794 -5.199 13.703 1.00 0.00 C ATOM 488 OG1 THR A 34 4.918 -5.599 14.482 1.00 0.00 O ATOM 489 CG2 THR A 34 3.333 -6.491 13.025 1.00 0.00 C ATOM 0 H THR A 34 2.582 -4.613 11.701 1.00 0.00 H new ATOM 0 HA THR A 34 4.497 -3.239 13.225 1.00 0.00 H new ATOM 0 HB THR A 34 2.955 -4.747 14.233 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.634 -6.253 15.155 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.932 -7.173 13.775 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.559 -6.261 12.293 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.179 -6.961 12.523 1.00 0.00 H new ATOM 497 N GLN A 35 5.775 -5.451 11.209 1.00 0.00 N ATOM 498 CA GLN A 35 7.027 -5.902 10.624 1.00 0.00 C ATOM 499 C GLN A 35 7.749 -4.734 9.949 1.00 0.00 C ATOM 500 O GLN A 35 8.951 -4.552 10.134 1.00 0.00 O ATOM 501 CB GLN A 35 6.789 -7.044 9.635 1.00 0.00 C ATOM 502 CG GLN A 35 6.496 -8.353 10.371 1.00 0.00 C ATOM 503 CD GLN A 35 5.532 -9.229 9.569 1.00 0.00 C ATOM 504 OE1 GLN A 35 5.902 -10.240 8.994 1.00 0.00 O ATOM 505 NE2 GLN A 35 4.278 -8.786 9.561 1.00 0.00 N ATOM 0 H GLN A 35 4.938 -5.866 10.799 1.00 0.00 H new ATOM 0 HA GLN A 35 7.663 -6.283 11.423 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.953 -6.795 8.981 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.666 -7.168 8.999 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.427 -8.894 10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 35 6.068 -8.136 11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 35 4.036 -7.932 10.063 1.00 0.00 H new ATOM 0 HE22 GLN A 35 3.559 -9.300 9.053 1.00 0.00 H new ATOM 512 N SER A 36 6.984 -3.971 9.181 1.00 0.00 N ATOM 513 CA SER A 36 7.536 -2.826 8.478 1.00 0.00 C ATOM 514 C SER A 36 7.764 -1.671 9.455 1.00 0.00 C ATOM 515 O SER A 36 8.597 -0.800 9.209 1.00 0.00 O ATOM 516 CB SER A 36 6.616 -2.383 7.339 1.00 0.00 C ATOM 517 OG SER A 36 7.344 -2.073 6.154 1.00 0.00 O ATOM 0 H SER A 36 5.987 -4.124 9.031 1.00 0.00 H new ATOM 0 HA SER A 36 8.492 -3.120 8.044 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.896 -3.174 7.126 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.045 -1.509 7.653 1.00 0.00 H new ATOM 0 HG SER A 36 6.856 -2.409 5.373 1.00 0.00 H new ATOM 522 N LEU A 37 7.009 -1.703 10.544 1.00 0.00 N ATOM 523 CA LEU A 37 7.118 -0.669 11.560 1.00 0.00 C ATOM 524 C LEU A 37 8.580 -0.536 11.990 1.00 0.00 C ATOM 525 O LEU A 37 9.037 0.558 12.320 1.00 0.00 O ATOM 526 CB LEU A 37 6.160 -0.954 12.719 1.00 0.00 C ATOM 527 CG LEU A 37 5.075 0.097 12.964 1.00 0.00 C ATOM 528 CD1 LEU A 37 5.688 1.425 13.409 1.00 0.00 C ATOM 529 CD2 LEU A 37 4.182 0.261 11.732 1.00 0.00 C ATOM 0 H LEU A 37 6.320 -2.428 10.745 1.00 0.00 H new ATOM 0 HA LEU A 37 6.814 0.297 11.156 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.675 -1.913 12.536 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.746 -1.062 13.631 1.00 0.00 H new ATOM 0 HG LEU A 37 4.439 -0.252 13.778 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.895 2.154 13.576 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.245 1.277 14.334 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.361 1.793 12.635 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.420 1.014 11.933 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.788 0.576 10.883 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.701 -0.690 11.502 1.00 0.00 H new ATOM 540 N GLU A 38 9.275 -1.664 11.973 1.00 0.00 N ATOM 541 CA GLU A 38 10.676 -1.686 12.357 1.00 0.00 C ATOM 542 C GLU A 38 11.336 -2.981 11.877 1.00 0.00 C ATOM 543 O GLU A 38 11.620 -3.871 12.677 1.00 0.00 O ATOM 544 CB GLU A 38 10.833 -1.519 13.870 1.00 0.00 C ATOM 545 CG GLU A 38 10.845 -0.040 14.258 1.00 0.00 C ATOM 546 CD GLU A 38 9.567 0.341 15.008 1.00 0.00 C ATOM 547 OE1 GLU A 38 9.158 -0.369 15.939 1.00 0.00 O ATOM 548 OE2 GLU A 38 8.991 1.419 14.593 1.00 0.00 O ATOM 0 H GLU A 38 8.894 -2.570 11.699 1.00 0.00 H new ATOM 0 HA GLU A 38 11.178 -0.845 11.878 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.016 -2.027 14.383 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.758 -1.993 14.198 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.713 0.169 14.883 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.942 0.574 13.362 1.00 0.00 H new ATOM 554 N LYS A 39 11.563 -3.044 10.573 1.00 0.00 N ATOM 555 CA LYS A 39 12.185 -4.214 9.977 1.00 0.00 C ATOM 556 C LYS A 39 13.673 -4.234 10.337 1.00 0.00 C ATOM 557 O LYS A 39 14.198 -5.262 10.761 1.00 0.00 O ATOM 558 CB LYS A 39 11.916 -4.256 8.472 1.00 0.00 C ATOM 559 CG LYS A 39 12.281 -5.622 7.887 1.00 0.00 C ATOM 560 CD LYS A 39 11.291 -6.696 8.342 1.00 0.00 C ATOM 561 CE LYS A 39 11.928 -7.629 9.373 1.00 0.00 C ATOM 562 NZ LYS A 39 11.896 -9.030 8.893 1.00 0.00 N ATOM 0 H LYS A 39 11.327 -2.303 9.912 1.00 0.00 H new ATOM 0 HA LYS A 39 11.746 -5.126 10.381 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.864 -4.044 8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.493 -3.477 7.974 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.287 -5.566 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.289 -5.897 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.408 -6.223 8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.956 -7.275 7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.958 -7.326 9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.396 -7.551 10.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.332 -9.651 9.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.910 -9.321 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.424 -9.103 8.000 1.00 0.00 H new ATOM 571 N ASP A 40 14.308 -3.086 10.155 1.00 0.00 N ATOM 572 CA ASP A 40 15.724 -2.959 10.455 1.00 0.00 C ATOM 573 C ASP A 40 16.222 -1.594 9.976 1.00 0.00 C ATOM 574 O ASP A 40 16.118 -0.603 10.698 1.00 0.00 O ATOM 575 CB ASP A 40 16.539 -4.037 9.737 1.00 0.00 C ATOM 576 CG ASP A 40 16.729 -5.335 10.524 1.00 0.00 C ATOM 577 OD1 ASP A 40 16.490 -6.437 10.008 1.00 0.00 O ATOM 578 OD2 ASP A 40 17.147 -5.182 11.735 1.00 0.00 O ATOM 0 H ASP A 40 13.868 -2.235 9.804 1.00 0.00 H new ATOM 0 HA ASP A 40 15.851 -3.068 11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 40 16.050 -4.271 8.791 1.00 0.00 H new ATOM 0 HB3 ASP A 40 17.521 -3.629 9.496 1.00 0.00 H new ATOM 583 N ASP A 41 16.752 -1.586 8.762 1.00 0.00 N ATOM 584 CA ASP A 41 17.266 -0.359 8.178 1.00 0.00 C ATOM 585 C ASP A 41 16.107 0.444 7.585 1.00 0.00 C ATOM 586 O ASP A 41 15.009 0.458 8.140 1.00 0.00 O ATOM 587 CB ASP A 41 18.258 -0.656 7.052 1.00 0.00 C ATOM 588 CG ASP A 41 19.322 0.419 6.826 1.00 0.00 C ATOM 589 OD1 ASP A 41 19.653 0.759 5.680 1.00 0.00 O ATOM 590 OD2 ASP A 41 19.828 0.921 7.901 1.00 0.00 O ATOM 0 H ASP A 41 16.837 -2.410 8.167 1.00 0.00 H new ATOM 0 HA ASP A 41 17.771 0.201 8.965 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.758 -1.600 7.268 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.701 -0.795 6.125 1.00 0.00 H new ATOM 595 N ILE A 42 16.389 1.094 6.465 1.00 0.00 N ATOM 596 CA ILE A 42 15.383 1.897 5.791 1.00 0.00 C ATOM 597 C ILE A 42 15.070 1.277 4.428 1.00 0.00 C ATOM 598 O ILE A 42 15.739 1.572 3.440 1.00 0.00 O ATOM 599 CB ILE A 42 15.828 3.359 5.714 1.00 0.00 C ATOM 600 CG1 ILE A 42 14.925 4.254 6.565 1.00 0.00 C ATOM 601 CG2 ILE A 42 15.899 3.834 4.261 1.00 0.00 C ATOM 602 CD1 ILE A 42 14.611 3.593 7.910 1.00 0.00 C ATOM 0 H ILE A 42 17.300 1.081 6.007 1.00 0.00 H new ATOM 0 HA ILE A 42 14.454 1.900 6.361 1.00 0.00 H new ATOM 0 HB ILE A 42 16.834 3.431 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 42 15.412 5.215 6.732 1.00 0.00 H new ATOM 0 HG13 ILE A 42 13.997 4.456 6.029 1.00 0.00 H new ATOM 0 HG21 ILE A 42 16.218 4.876 4.234 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.615 3.221 3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 42 14.915 3.743 3.800 1.00 0.00 H new ATOM 0 HD11 ILE A 42 13.968 4.249 8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 42 14.103 2.644 7.739 1.00 0.00 H new ATOM 0 HD13 ILE A 42 15.539 3.415 8.453 1.00 0.00 H new ATOM 613 N ARG A 43 14.053 0.427 4.420 1.00 0.00 N ATOM 614 CA ARG A 43 13.644 -0.238 3.196 1.00 0.00 C ATOM 615 C ARG A 43 12.666 0.643 2.414 1.00 0.00 C ATOM 616 O ARG A 43 12.521 1.829 2.709 1.00 0.00 O ATOM 617 CB ARG A 43 12.980 -1.583 3.494 1.00 0.00 C ATOM 618 CG ARG A 43 13.993 -2.726 3.409 1.00 0.00 C ATOM 619 CD ARG A 43 15.403 -2.234 3.745 1.00 0.00 C ATOM 620 NE ARG A 43 16.190 -3.330 4.354 1.00 0.00 N ATOM 621 CZ ARG A 43 17.524 -3.285 4.550 1.00 0.00 C ATOM 622 NH1 ARG A 43 18.234 -2.197 4.185 1.00 0.00 N ATOM 623 NH2 ARG A 43 18.126 -4.322 5.103 1.00 0.00 N ATOM 0 H ARG A 43 13.501 0.184 5.242 1.00 0.00 H new ATOM 0 HA ARG A 43 14.539 -0.412 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.535 -1.560 4.489 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.170 -1.757 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 43 13.708 -3.522 4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.982 -3.153 2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 43 15.898 -1.878 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 43 15.348 -1.389 4.432 1.00 0.00 H new ATOM 0 HE ARG A 43 15.692 -4.172 4.644 1.00 0.00 H new ATOM 0 HH11 ARG A 43 17.762 -1.400 3.757 1.00 0.00 H new ATOM 0 HH12 ARG A 43 19.242 -2.171 4.337 1.00 0.00 H new ATOM 0 HH21 ARG A 43 17.583 -5.141 5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 43 19.134 -4.304 5.258 1.00 0.00 H new ATOM 633 N HIS A 44 12.020 0.030 1.433 1.00 0.00 N ATOM 634 CA HIS A 44 11.060 0.743 0.608 1.00 0.00 C ATOM 635 C HIS A 44 9.761 -0.060 0.521 1.00 0.00 C ATOM 636 O HIS A 44 9.760 -1.270 0.738 1.00 0.00 O ATOM 637 CB HIS A 44 11.655 1.060 -0.766 1.00 0.00 C ATOM 638 CG HIS A 44 12.739 2.111 -0.738 1.00 0.00 C ATOM 639 ND1 HIS A 44 12.653 3.257 0.033 1.00 0.00 N ATOM 640 CD2 HIS A 44 13.934 2.176 -1.393 1.00 0.00 C ATOM 641 CE1 HIS A 44 13.751 3.974 -0.158 1.00 0.00 C ATOM 642 NE2 HIS A 44 14.543 3.303 -1.043 1.00 0.00 N ATOM 0 H HIS A 44 12.143 -0.953 1.191 1.00 0.00 H new ATOM 0 HA HIS A 44 10.822 1.703 1.067 1.00 0.00 H new ATOM 0 HB2 HIS A 44 12.062 0.144 -1.194 1.00 0.00 H new ATOM 0 HB3 HIS A 44 10.856 1.394 -1.428 1.00 0.00 H new ATOM 0 HD1 HIS A 44 11.876 3.507 0.645 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.319 1.437 -2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.979 4.923 0.305 1.00 0.00 H new ATOM 649 N ILE A 45 8.687 0.647 0.203 1.00 0.00 N ATOM 650 CA ILE A 45 7.383 0.015 0.085 1.00 0.00 C ATOM 651 C ILE A 45 7.017 -0.112 -1.395 1.00 0.00 C ATOM 652 O ILE A 45 7.519 0.639 -2.230 1.00 0.00 O ATOM 653 CB ILE A 45 6.344 0.772 0.913 1.00 0.00 C ATOM 654 CG1 ILE A 45 5.518 1.712 0.031 1.00 0.00 C ATOM 655 CG2 ILE A 45 7.004 1.512 2.078 1.00 0.00 C ATOM 656 CD1 ILE A 45 6.404 2.416 -0.998 1.00 0.00 C ATOM 0 H ILE A 45 8.692 1.651 0.023 1.00 0.00 H new ATOM 0 HA ILE A 45 7.409 -0.994 0.496 1.00 0.00 H new ATOM 0 HB ILE A 45 5.655 0.045 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.739 1.146 -0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.017 2.454 0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.243 2.042 2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.510 0.795 2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.730 2.227 1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.793 3.078 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.167 3.000 -0.483 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.885 1.672 -1.634 1.00 0.00 H new ATOM 667 N VAL A 46 6.144 -1.070 -1.675 1.00 0.00 N ATOM 668 CA VAL A 46 5.704 -1.305 -3.039 1.00 0.00 C ATOM 669 C VAL A 46 4.390 -2.088 -3.018 1.00 0.00 C ATOM 670 O VAL A 46 4.390 -3.313 -3.136 1.00 0.00 O ATOM 671 CB VAL A 46 6.807 -2.010 -3.831 1.00 0.00 C ATOM 672 CG1 VAL A 46 6.214 -2.991 -4.844 1.00 0.00 C ATOM 673 CG2 VAL A 46 7.721 -0.995 -4.520 1.00 0.00 C ATOM 0 H VAL A 46 5.730 -1.692 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 46 5.512 -0.360 -3.546 1.00 0.00 H new ATOM 0 HB VAL A 46 7.412 -2.582 -3.127 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.020 -3.478 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.625 -3.744 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.574 -2.451 -5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.496 -1.522 -5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.134 -0.384 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.185 -0.355 -3.770 1.00 0.00 H new ATOM 683 N LEU A 47 3.300 -1.350 -2.868 1.00 0.00 N ATOM 684 CA LEU A 47 1.981 -1.960 -2.830 1.00 0.00 C ATOM 685 C LEU A 47 1.461 -2.129 -4.259 1.00 0.00 C ATOM 686 O LEU A 47 1.868 -1.399 -5.162 1.00 0.00 O ATOM 687 CB LEU A 47 1.045 -1.157 -1.926 1.00 0.00 C ATOM 688 CG LEU A 47 1.602 -0.778 -0.551 1.00 0.00 C ATOM 689 CD1 LEU A 47 0.702 0.248 0.141 1.00 0.00 C ATOM 690 CD2 LEU A 47 1.823 -2.022 0.313 1.00 0.00 C ATOM 0 H LEU A 47 3.303 -0.335 -2.771 1.00 0.00 H new ATOM 0 HA LEU A 47 2.034 -2.956 -2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.765 -0.242 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.131 -1.733 -1.780 1.00 0.00 H new ATOM 0 HG LEU A 47 2.575 -0.308 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.120 0.500 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.639 1.148 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.295 -0.172 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.219 -1.725 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.875 -2.542 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.533 -2.686 -0.180 1.00 0.00 H new ATOM 701 N ASN A 48 0.568 -3.096 -4.419 1.00 0.00 N ATOM 702 CA ASN A 48 -0.011 -3.369 -5.723 1.00 0.00 C ATOM 703 C ASN A 48 -1.079 -4.456 -5.584 1.00 0.00 C ATOM 704 O ASN A 48 -0.759 -5.614 -5.316 1.00 0.00 O ATOM 705 CB ASN A 48 1.050 -3.871 -6.705 1.00 0.00 C ATOM 706 CG ASN A 48 0.403 -4.577 -7.897 1.00 0.00 C ATOM 707 OD1 ASN A 48 0.329 -4.053 -8.997 1.00 0.00 O ATOM 708 ND2 ASN A 48 -0.058 -5.793 -7.621 1.00 0.00 N ATOM 0 H ASN A 48 0.232 -3.699 -3.668 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.441 -2.441 -6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.651 -3.032 -7.057 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.727 -4.557 -6.195 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.506 -6.347 -8.351 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.036 -6.172 -6.679 1.00 0.00 H new ATOM 714 N LEU A 49 -2.324 -4.046 -5.770 1.00 0.00 N ATOM 715 CA LEU A 49 -3.440 -4.971 -5.670 1.00 0.00 C ATOM 716 C LEU A 49 -3.835 -5.442 -7.070 1.00 0.00 C ATOM 717 O LEU A 49 -4.170 -4.630 -7.931 1.00 0.00 O ATOM 718 CB LEU A 49 -4.592 -4.337 -4.886 1.00 0.00 C ATOM 719 CG LEU A 49 -4.952 -5.011 -3.560 1.00 0.00 C ATOM 720 CD1 LEU A 49 -4.953 -3.999 -2.413 1.00 0.00 C ATOM 721 CD2 LEU A 49 -6.284 -5.756 -3.668 1.00 0.00 C ATOM 0 H LEU A 49 -2.585 -3.085 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.150 -5.858 -5.106 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.339 -3.296 -4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.478 -4.332 -5.521 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.185 -5.752 -3.334 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.212 -4.504 -1.482 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.963 -3.553 -2.320 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.685 -3.218 -2.618 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.517 -6.226 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.075 -5.052 -3.928 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.211 -6.521 -4.441 1.00 0.00 H new ATOM 732 N GLU A 50 -3.784 -6.754 -7.255 1.00 0.00 N ATOM 733 CA GLU A 50 -4.133 -7.343 -8.537 1.00 0.00 C ATOM 734 C GLU A 50 -5.617 -7.713 -8.564 1.00 0.00 C ATOM 735 O GLU A 50 -6.211 -7.830 -9.635 1.00 0.00 O ATOM 736 CB GLU A 50 -3.258 -8.562 -8.835 1.00 0.00 C ATOM 737 CG GLU A 50 -2.529 -8.400 -10.171 1.00 0.00 C ATOM 738 CD GLU A 50 -2.489 -9.724 -10.937 1.00 0.00 C ATOM 739 OE1 GLU A 50 -3.484 -10.462 -10.952 1.00 0.00 O ATOM 740 OE2 GLU A 50 -1.372 -9.974 -11.534 1.00 0.00 O ATOM 0 H GLU A 50 -3.506 -7.425 -6.539 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.949 -6.605 -9.317 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.531 -8.697 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.875 -9.460 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.030 -7.642 -10.773 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.513 -8.047 -9.995 1.00 0.00 H new ATOM 746 N ASP A 51 -6.174 -7.887 -7.374 1.00 0.00 N ATOM 747 CA ASP A 51 -7.576 -8.241 -7.249 1.00 0.00 C ATOM 748 C ASP A 51 -8.283 -7.205 -6.372 1.00 0.00 C ATOM 749 O ASP A 51 -8.731 -7.522 -5.270 1.00 0.00 O ATOM 750 CB ASP A 51 -7.742 -9.612 -6.589 1.00 0.00 C ATOM 751 CG ASP A 51 -9.187 -10.012 -6.283 1.00 0.00 C ATOM 752 OD1 ASP A 51 -9.547 -10.269 -5.124 1.00 0.00 O ATOM 753 OD2 ASP A 51 -9.969 -10.055 -7.309 1.00 0.00 O ATOM 0 H ASP A 51 -5.678 -7.789 -6.488 1.00 0.00 H new ATOM 0 HA ASP A 51 -8.007 -8.268 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.302 -10.367 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.173 -9.622 -5.659 1.00 0.00 H new ATOM 758 N LEU A 52 -8.362 -5.990 -6.893 1.00 0.00 N ATOM 759 CA LEU A 52 -9.006 -4.907 -6.171 1.00 0.00 C ATOM 760 C LEU A 52 -10.487 -4.855 -6.553 1.00 0.00 C ATOM 761 O LEU A 52 -10.831 -4.475 -7.670 1.00 0.00 O ATOM 762 CB LEU A 52 -8.265 -3.589 -6.407 1.00 0.00 C ATOM 763 CG LEU A 52 -8.369 -2.550 -5.289 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.710 -2.662 -4.561 1.00 0.00 C ATOM 765 CD2 LEU A 52 -7.184 -2.658 -4.329 1.00 0.00 C ATOM 0 H LEU A 52 -7.990 -5.732 -7.807 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.958 -5.085 -5.097 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.211 -3.812 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.643 -3.143 -7.327 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.329 -1.558 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.759 -1.913 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.523 -2.497 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.805 -3.656 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.282 -1.908 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.167 -3.652 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.256 -2.491 -4.876 1.00 0.00 H new ATOM 776 N SER A 53 -11.324 -5.243 -5.602 1.00 0.00 N ATOM 777 CA SER A 53 -12.759 -5.246 -5.823 1.00 0.00 C ATOM 778 C SER A 53 -13.466 -4.494 -4.693 1.00 0.00 C ATOM 779 O SER A 53 -13.694 -3.290 -4.792 1.00 0.00 O ATOM 780 CB SER A 53 -13.298 -6.675 -5.927 1.00 0.00 C ATOM 781 OG SER A 53 -14.720 -6.716 -5.855 1.00 0.00 O ATOM 0 H SER A 53 -11.035 -5.558 -4.676 1.00 0.00 H new ATOM 0 HA SER A 53 -12.959 -4.741 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.970 -7.119 -6.867 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.877 -7.281 -5.124 1.00 0.00 H new ATOM 0 HG SER A 53 -15.025 -7.645 -5.927 1.00 0.00 H new ATOM 786 N PHE A 54 -13.793 -5.236 -3.645 1.00 0.00 N ATOM 787 CA PHE A 54 -14.468 -4.654 -2.498 1.00 0.00 C ATOM 788 C PHE A 54 -13.795 -3.348 -2.069 1.00 0.00 C ATOM 789 O PHE A 54 -14.310 -2.264 -2.339 1.00 0.00 O ATOM 790 CB PHE A 54 -14.362 -5.667 -1.356 1.00 0.00 C ATOM 791 CG PHE A 54 -14.832 -5.130 -0.003 1.00 0.00 C ATOM 792 CD1 PHE A 54 -16.154 -5.145 0.314 1.00 0.00 C ATOM 793 CD2 PHE A 54 -13.927 -4.636 0.884 1.00 0.00 C ATOM 794 CE1 PHE A 54 -16.590 -4.646 1.570 1.00 0.00 C ATOM 795 CE2 PHE A 54 -14.363 -4.137 2.140 1.00 0.00 C ATOM 796 CZ PHE A 54 -15.685 -4.153 2.457 1.00 0.00 C ATOM 0 H PHE A 54 -13.603 -6.235 -3.566 1.00 0.00 H new ATOM 0 HA PHE A 54 -15.505 -4.431 -2.750 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.951 -6.548 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.325 -5.991 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -16.873 -5.537 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -12.877 -4.623 0.633 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.640 -4.658 1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -13.644 -3.745 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.016 -3.774 3.413 1.00 0.00 H new ATOM 805 N MET A 55 -12.655 -3.496 -1.410 1.00 0.00 N ATOM 806 CA MET A 55 -11.907 -2.341 -0.943 1.00 0.00 C ATOM 807 C MET A 55 -12.849 -1.223 -0.493 1.00 0.00 C ATOM 808 O MET A 55 -13.194 -0.343 -1.280 1.00 0.00 O ATOM 809 CB MET A 55 -11.004 -1.828 -2.066 1.00 0.00 C ATOM 810 CG MET A 55 -10.812 -0.314 -1.967 1.00 0.00 C ATOM 811 SD MET A 55 -11.531 0.489 -3.390 1.00 0.00 S ATOM 812 CE MET A 55 -12.819 -0.681 -3.788 1.00 0.00 C ATOM 0 H MET A 55 -12.232 -4.397 -1.189 1.00 0.00 H new ATOM 0 HA MET A 55 -11.301 -2.645 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 55 -10.035 -2.325 -2.014 1.00 0.00 H new ATOM 0 HB3 MET A 55 -11.441 -2.080 -3.032 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.277 0.061 -1.055 1.00 0.00 H new ATOM 0 HG3 MET A 55 -9.750 -0.077 -1.904 1.00 0.00 H new ATOM 0 HE1 MET A 55 -13.610 -0.176 -4.342 1.00 0.00 H new ATOM 0 HE2 MET A 55 -12.405 -1.485 -4.397 1.00 0.00 H new ATOM 0 HE3 MET A 55 -13.229 -1.097 -2.868 1.00 0.00 H new ATOM 820 N ASP A 56 -13.238 -1.293 0.772 1.00 0.00 N ATOM 821 CA ASP A 56 -14.133 -0.298 1.336 1.00 0.00 C ATOM 822 C ASP A 56 -13.331 0.662 2.218 1.00 0.00 C ATOM 823 O ASP A 56 -12.158 0.921 1.952 1.00 0.00 O ATOM 824 CB ASP A 56 -15.207 -0.953 2.206 1.00 0.00 C ATOM 825 CG ASP A 56 -16.556 -0.229 2.224 1.00 0.00 C ATOM 826 OD1 ASP A 56 -17.102 0.129 1.169 1.00 0.00 O ATOM 827 OD2 ASP A 56 -17.052 -0.032 3.397 1.00 0.00 O ATOM 0 H ASP A 56 -12.949 -2.024 1.422 1.00 0.00 H new ATOM 0 HA ASP A 56 -14.610 0.232 0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.364 -1.973 1.856 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.834 -1.020 3.228 1.00 0.00 H new ATOM 832 N SER A 57 -13.995 1.163 3.250 1.00 0.00 N ATOM 833 CA SER A 57 -13.359 2.087 4.171 1.00 0.00 C ATOM 834 C SER A 57 -12.810 1.327 5.380 1.00 0.00 C ATOM 835 O SER A 57 -12.637 1.902 6.454 1.00 0.00 O ATOM 836 CB SER A 57 -14.337 3.172 4.627 1.00 0.00 C ATOM 837 OG SER A 57 -15.624 2.638 4.928 1.00 0.00 O ATOM 0 H SER A 57 -14.967 0.946 3.468 1.00 0.00 H new ATOM 0 HA SER A 57 -12.534 2.574 3.650 1.00 0.00 H new ATOM 0 HB2 SER A 57 -13.937 3.673 5.508 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.431 3.927 3.846 1.00 0.00 H new ATOM 0 HG SER A 57 -16.219 3.361 5.217 1.00 0.00 H new ATOM 842 N SER A 58 -12.551 0.046 5.165 1.00 0.00 N ATOM 843 CA SER A 58 -12.025 -0.800 6.223 1.00 0.00 C ATOM 844 C SER A 58 -10.497 -0.733 6.235 1.00 0.00 C ATOM 845 O SER A 58 -9.897 -0.351 7.240 1.00 0.00 O ATOM 846 CB SER A 58 -12.491 -2.247 6.054 1.00 0.00 C ATOM 847 OG SER A 58 -13.532 -2.364 5.088 1.00 0.00 O ATOM 0 H SER A 58 -12.696 -0.427 4.273 1.00 0.00 H new ATOM 0 HA SER A 58 -12.406 -0.433 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 58 -11.646 -2.867 5.753 1.00 0.00 H new ATOM 0 HB3 SER A 58 -12.842 -2.629 7.013 1.00 0.00 H new ATOM 0 HG SER A 58 -14.014 -3.206 5.227 1.00 0.00 H new ATOM 852 N GLY A 59 -9.910 -1.109 5.109 1.00 0.00 N ATOM 853 CA GLY A 59 -8.463 -1.096 4.978 1.00 0.00 C ATOM 854 C GLY A 59 -7.957 0.304 4.626 1.00 0.00 C ATOM 855 O GLY A 59 -6.770 0.594 4.770 1.00 0.00 O ATOM 0 H GLY A 59 -10.410 -1.425 4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.007 -1.428 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.158 -1.802 4.205 1.00 0.00 H new ATOM 859 N LEU A 60 -8.882 1.135 4.169 1.00 0.00 N ATOM 860 CA LEU A 60 -8.546 2.497 3.794 1.00 0.00 C ATOM 861 C LEU A 60 -7.753 3.153 4.928 1.00 0.00 C ATOM 862 O LEU A 60 -6.751 3.823 4.683 1.00 0.00 O ATOM 863 CB LEU A 60 -9.804 3.271 3.396 1.00 0.00 C ATOM 864 CG LEU A 60 -9.669 4.192 2.181 1.00 0.00 C ATOM 865 CD1 LEU A 60 -9.047 5.533 2.576 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.890 3.507 1.057 1.00 0.00 C ATOM 0 H LEU A 60 -9.865 0.890 4.050 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.906 2.501 2.912 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.600 2.554 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.122 3.871 4.248 1.00 0.00 H new ATOM 0 HG LEU A 60 -10.668 4.401 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.962 6.169 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.679 6.023 3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.056 5.364 2.998 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.809 4.183 0.206 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.892 3.248 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.413 2.601 0.752 1.00 0.00 H new ATOM 877 N GLY A 61 -8.234 2.938 6.144 1.00 0.00 N ATOM 878 CA GLY A 61 -7.584 3.498 7.315 1.00 0.00 C ATOM 879 C GLY A 61 -6.377 2.654 7.729 1.00 0.00 C ATOM 880 O GLY A 61 -5.388 3.185 8.233 1.00 0.00 O ATOM 0 H GLY A 61 -9.067 2.383 6.343 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.264 4.518 7.104 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.295 3.551 8.139 1.00 0.00 H new ATOM 884 N VAL A 62 -6.497 1.355 7.502 1.00 0.00 N ATOM 885 CA VAL A 62 -5.429 0.432 7.845 1.00 0.00 C ATOM 886 C VAL A 62 -4.212 0.718 6.963 1.00 0.00 C ATOM 887 O VAL A 62 -3.083 0.399 7.334 1.00 0.00 O ATOM 888 CB VAL A 62 -5.926 -1.010 7.731 1.00 0.00 C ATOM 889 CG1 VAL A 62 -5.304 -1.709 6.521 1.00 0.00 C ATOM 890 CG2 VAL A 62 -5.647 -1.789 9.018 1.00 0.00 C ATOM 0 H VAL A 62 -7.319 0.919 7.084 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.120 0.573 8.881 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.006 -0.982 7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.674 -2.733 6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -5.575 -1.173 5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.219 -1.720 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.010 -2.811 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.574 -1.803 9.209 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.158 -1.308 9.852 1.00 0.00 H new ATOM 900 N ILE A 63 -4.482 1.315 5.812 1.00 0.00 N ATOM 901 CA ILE A 63 -3.423 1.646 4.873 1.00 0.00 C ATOM 902 C ILE A 63 -2.931 3.069 5.148 1.00 0.00 C ATOM 903 O ILE A 63 -1.743 3.356 5.011 1.00 0.00 O ATOM 904 CB ILE A 63 -3.894 1.426 3.434 1.00 0.00 C ATOM 905 CG1 ILE A 63 -3.713 -0.034 3.016 1.00 0.00 C ATOM 906 CG2 ILE A 63 -3.192 2.389 2.475 1.00 0.00 C ATOM 907 CD1 ILE A 63 -5.016 -0.608 2.452 1.00 0.00 C ATOM 0 H ILE A 63 -5.419 1.578 5.508 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.571 0.981 5.010 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.961 1.644 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.925 -0.107 2.267 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.392 -0.625 3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.544 2.212 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.415 3.416 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.115 2.226 2.519 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.860 -1.647 2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.796 -0.556 3.212 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.321 -0.030 1.580 1.00 0.00 H new ATOM 918 N LEU A 64 -3.870 3.922 5.532 1.00 0.00 N ATOM 919 CA LEU A 64 -3.546 5.308 5.827 1.00 0.00 C ATOM 920 C LEU A 64 -2.524 5.356 6.964 1.00 0.00 C ATOM 921 O LEU A 64 -1.520 6.062 6.872 1.00 0.00 O ATOM 922 CB LEU A 64 -4.820 6.106 6.111 1.00 0.00 C ATOM 923 CG LEU A 64 -4.786 7.585 5.716 1.00 0.00 C ATOM 924 CD1 LEU A 64 -3.375 8.158 5.860 1.00 0.00 C ATOM 925 CD2 LEU A 64 -5.347 7.789 4.307 1.00 0.00 C ATOM 0 H LEU A 64 -4.854 3.680 5.646 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.085 5.785 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.648 5.629 5.587 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.037 6.040 7.177 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.429 8.137 6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.378 9.210 5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.049 8.065 6.896 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.691 7.608 5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.311 8.848 4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.750 7.223 3.592 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.380 7.442 4.273 1.00 0.00 H new ATOM 936 N GLY A 65 -2.814 4.597 8.011 1.00 0.00 N ATOM 937 CA GLY A 65 -1.933 4.546 9.165 1.00 0.00 C ATOM 938 C GLY A 65 -0.544 4.037 8.773 1.00 0.00 C ATOM 939 O GLY A 65 0.463 4.491 9.312 1.00 0.00 O ATOM 0 H GLY A 65 -3.647 4.013 8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.849 5.539 9.607 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.362 3.894 9.926 1.00 0.00 H new ATOM 943 N ARG A 66 -0.537 3.100 7.835 1.00 0.00 N ATOM 944 CA ARG A 66 0.711 2.524 7.364 1.00 0.00 C ATOM 945 C ARG A 66 1.507 3.560 6.567 1.00 0.00 C ATOM 946 O ARG A 66 2.727 3.643 6.696 1.00 0.00 O ATOM 947 CB ARG A 66 0.455 1.301 6.482 1.00 0.00 C ATOM 948 CG ARG A 66 1.221 0.081 7.000 1.00 0.00 C ATOM 949 CD ARG A 66 1.374 -0.976 5.904 1.00 0.00 C ATOM 950 NE ARG A 66 2.635 -1.726 6.097 1.00 0.00 N ATOM 951 CZ ARG A 66 3.256 -2.426 5.124 1.00 0.00 C ATOM 952 NH1 ARG A 66 2.736 -2.478 3.878 1.00 0.00 N ATOM 953 NH2 ARG A 66 4.377 -3.060 5.408 1.00 0.00 N ATOM 0 H ARG A 66 -1.375 2.726 7.389 1.00 0.00 H new ATOM 0 HA ARG A 66 1.283 2.214 8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.612 1.082 6.459 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.758 1.517 5.458 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.205 0.388 7.354 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.695 -0.348 7.853 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.527 -1.661 5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.371 -0.499 4.924 1.00 0.00 H new ATOM 0 HE ARG A 66 3.062 -1.713 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 66 1.868 -1.986 3.667 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.212 -3.009 3.149 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.762 -3.017 6.351 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.859 -3.593 4.684 1.00 0.00 H new ATOM 963 N TYR A 67 0.783 4.324 5.762 1.00 0.00 N ATOM 964 CA TYR A 67 1.406 5.352 4.946 1.00 0.00 C ATOM 965 C TYR A 67 2.358 6.212 5.778 1.00 0.00 C ATOM 966 O TYR A 67 3.445 6.562 5.321 1.00 0.00 O ATOM 967 CB TYR A 67 0.265 6.229 4.429 1.00 0.00 C ATOM 968 CG TYR A 67 0.498 6.792 3.026 1.00 0.00 C ATOM 969 CD1 TYR A 67 0.334 5.981 1.921 1.00 0.00 C ATOM 970 CD2 TYR A 67 0.873 8.111 2.864 1.00 0.00 C ATOM 971 CE1 TYR A 67 0.554 6.511 0.600 1.00 0.00 C ATOM 972 CE2 TYR A 67 1.093 8.640 1.543 1.00 0.00 C ATOM 973 CZ TYR A 67 0.923 7.814 0.477 1.00 0.00 C ATOM 974 OH TYR A 67 1.131 8.314 -0.771 1.00 0.00 O ATOM 0 H TYR A 67 -0.229 4.252 5.658 1.00 0.00 H new ATOM 0 HA TYR A 67 1.986 4.902 4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.655 5.645 4.427 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.115 7.057 5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 67 0.041 4.949 2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.001 8.746 3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.429 5.888 -0.273 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.386 9.670 1.402 1.00 0.00 H new ATOM 0 HH TYR A 67 0.867 7.647 -1.439 1.00 0.00 H new ATOM 983 N LYS A 68 1.916 6.528 6.986 1.00 0.00 N ATOM 984 CA LYS A 68 2.716 7.341 7.887 1.00 0.00 C ATOM 985 C LYS A 68 3.654 6.435 8.688 1.00 0.00 C ATOM 986 O LYS A 68 4.729 6.863 9.104 1.00 0.00 O ATOM 987 CB LYS A 68 1.815 8.218 8.760 1.00 0.00 C ATOM 988 CG LYS A 68 0.431 8.382 8.127 1.00 0.00 C ATOM 989 CD LYS A 68 -0.594 7.472 8.807 1.00 0.00 C ATOM 990 CE LYS A 68 -0.672 7.758 10.308 1.00 0.00 C ATOM 991 NZ LYS A 68 -0.366 6.536 11.085 1.00 0.00 N ATOM 0 H LYS A 68 1.014 6.236 7.362 1.00 0.00 H new ATOM 0 HA LYS A 68 3.343 8.031 7.322 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.716 7.772 9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.275 9.197 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.111 9.421 8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.483 8.147 7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.574 7.620 8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.323 6.429 8.646 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.031 8.549 10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.668 8.119 10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.300 6.768 11.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.243 6.156 11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.061 5.824 10.459 1.00 0.00 H new ATOM 1000 N GLN A 69 3.212 5.201 8.878 1.00 0.00 N ATOM 1001 CA GLN A 69 3.998 4.231 9.621 1.00 0.00 C ATOM 1002 C GLN A 69 4.918 3.457 8.676 1.00 0.00 C ATOM 1003 O GLN A 69 5.774 2.695 9.122 1.00 0.00 O ATOM 1004 CB GLN A 69 3.094 3.279 10.408 1.00 0.00 C ATOM 1005 CG GLN A 69 3.327 3.422 11.914 1.00 0.00 C ATOM 1006 CD GLN A 69 2.160 2.831 12.707 1.00 0.00 C ATOM 1007 OE1 GLN A 69 1.532 1.864 12.310 1.00 0.00 O ATOM 1008 NE2 GLN A 69 1.906 3.464 13.849 1.00 0.00 N ATOM 0 H GLN A 69 2.319 4.850 8.530 1.00 0.00 H new ATOM 0 HA GLN A 69 4.617 4.769 10.339 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.050 3.488 10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.288 2.251 10.102 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.253 2.918 12.192 1.00 0.00 H new ATOM 0 HG3 GLN A 69 3.448 4.475 12.169 1.00 0.00 H new ATOM 0 HE21 GLN A 69 2.471 4.268 14.123 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.147 3.145 14.451 1.00 0.00 H new ATOM 1015 N ILE A 70 4.710 3.679 7.386 1.00 0.00 N ATOM 1016 CA ILE A 70 5.510 3.011 6.372 1.00 0.00 C ATOM 1017 C ILE A 70 6.604 3.963 5.885 1.00 0.00 C ATOM 1018 O ILE A 70 7.744 3.550 5.677 1.00 0.00 O ATOM 1019 CB ILE A 70 4.617 2.475 5.253 1.00 0.00 C ATOM 1020 CG1 ILE A 70 5.328 1.375 4.463 1.00 0.00 C ATOM 1021 CG2 ILE A 70 4.133 3.609 4.346 1.00 0.00 C ATOM 1022 CD1 ILE A 70 5.191 0.021 5.164 1.00 0.00 C ATOM 0 H ILE A 70 3.999 4.312 7.019 1.00 0.00 H new ATOM 0 HA ILE A 70 6.010 2.139 6.793 1.00 0.00 H new ATOM 0 HB ILE A 70 3.734 2.026 5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.907 1.313 3.459 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.383 1.626 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.500 3.200 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.562 4.327 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.992 4.108 3.898 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.705 -0.744 4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 70 5.634 0.079 6.158 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.136 -0.238 5.252 1.00 0.00 H new ATOM 1033 N LYS A 71 6.219 5.219 5.716 1.00 0.00 N ATOM 1034 CA LYS A 71 7.153 6.233 5.256 1.00 0.00 C ATOM 1035 C LYS A 71 8.186 6.504 6.352 1.00 0.00 C ATOM 1036 O LYS A 71 9.298 6.945 6.066 1.00 0.00 O ATOM 1037 CB LYS A 71 6.402 7.484 4.795 1.00 0.00 C ATOM 1038 CG LYS A 71 6.664 7.766 3.314 1.00 0.00 C ATOM 1039 CD LYS A 71 6.407 9.238 2.983 1.00 0.00 C ATOM 1040 CE LYS A 71 7.386 10.146 3.729 1.00 0.00 C ATOM 1041 NZ LYS A 71 6.657 11.044 4.654 1.00 0.00 N ATOM 0 H LYS A 71 5.273 5.558 5.889 1.00 0.00 H new ATOM 0 HA LYS A 71 7.700 5.878 4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.333 7.352 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.714 8.341 5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.694 7.508 3.068 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.022 7.134 2.700 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.505 9.396 1.909 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.384 9.502 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.100 9.540 4.287 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.959 10.737 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.336 11.654 5.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.993 11.635 4.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.129 10.475 5.346 1.00 0.00 H new ATOM 1050 N GLN A 72 7.781 6.228 7.583 1.00 0.00 N ATOM 1051 CA GLN A 72 8.657 6.437 8.723 1.00 0.00 C ATOM 1052 C GLN A 72 9.774 5.391 8.732 1.00 0.00 C ATOM 1053 O GLN A 72 10.903 5.687 9.123 1.00 0.00 O ATOM 1054 CB GLN A 72 7.868 6.407 10.033 1.00 0.00 C ATOM 1055 CG GLN A 72 8.736 5.895 11.184 1.00 0.00 C ATOM 1056 CD GLN A 72 8.597 6.791 12.416 1.00 0.00 C ATOM 1057 OE1 GLN A 72 7.512 7.188 12.809 1.00 0.00 O ATOM 1058 NE2 GLN A 72 9.754 7.087 13.003 1.00 0.00 N ATOM 0 H GLN A 72 6.858 5.861 7.816 1.00 0.00 H new ATOM 0 HA GLN A 72 9.110 7.424 8.632 1.00 0.00 H new ATOM 0 HB2 GLN A 72 7.503 7.408 10.265 1.00 0.00 H new ATOM 0 HB3 GLN A 72 6.993 5.767 9.920 1.00 0.00 H new ATOM 0 HG2 GLN A 72 8.446 4.875 11.437 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.779 5.861 10.870 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.627 6.722 12.623 1.00 0.00 H new ATOM 0 HE22 GLN A 72 9.768 7.679 13.833 1.00 0.00 H new ATOM 1065 N ILE A 73 9.421 4.191 8.296 1.00 0.00 N ATOM 1066 CA ILE A 73 10.380 3.100 8.249 1.00 0.00 C ATOM 1067 C ILE A 73 10.268 2.386 6.901 1.00 0.00 C ATOM 1068 O ILE A 73 10.414 1.167 6.825 1.00 0.00 O ATOM 1069 CB ILE A 73 10.196 2.174 9.452 1.00 0.00 C ATOM 1070 CG1 ILE A 73 9.493 2.899 10.601 1.00 0.00 C ATOM 1071 CG2 ILE A 73 11.533 1.570 9.888 1.00 0.00 C ATOM 1072 CD1 ILE A 73 7.977 2.900 10.402 1.00 0.00 C ATOM 0 H ILE A 73 8.484 3.950 7.972 1.00 0.00 H new ATOM 0 HA ILE A 73 11.398 3.484 8.323 1.00 0.00 H new ATOM 0 HB ILE A 73 9.552 1.348 9.151 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.739 2.415 11.546 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.856 3.925 10.665 1.00 0.00 H new ATOM 0 HG21 ILE A 73 11.374 0.916 10.745 1.00 0.00 H new ATOM 0 HG22 ILE A 73 11.958 0.994 9.066 1.00 0.00 H new ATOM 0 HG23 ILE A 73 12.221 2.369 10.164 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.501 3.422 11.233 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.733 3.406 9.468 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.614 1.873 10.363 1.00 0.00 H new ATOM 1083 N GLY A 74 10.010 3.176 5.868 1.00 0.00 N ATOM 1084 CA GLY A 74 9.877 2.635 4.526 1.00 0.00 C ATOM 1085 C GLY A 74 10.421 3.614 3.484 1.00 0.00 C ATOM 1086 O GLY A 74 10.249 3.406 2.284 1.00 0.00 O ATOM 0 H GLY A 74 9.890 4.187 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.414 1.689 4.457 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.828 2.422 4.318 1.00 0.00 H new ATOM 1090 N GLY A 75 11.067 4.659 3.980 1.00 0.00 N ATOM 1091 CA GLY A 75 11.637 5.670 3.107 1.00 0.00 C ATOM 1092 C GLY A 75 10.541 6.423 2.351 1.00 0.00 C ATOM 1093 O GLY A 75 10.392 7.634 2.511 1.00 0.00 O ATOM 0 H GLY A 75 11.208 4.827 4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.227 6.373 3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.317 5.200 2.396 1.00 0.00 H new ATOM 1097 N GLU A 76 9.802 5.676 1.543 1.00 0.00 N ATOM 1098 CA GLU A 76 8.724 6.258 0.763 1.00 0.00 C ATOM 1099 C GLU A 76 7.554 5.277 0.660 1.00 0.00 C ATOM 1100 O GLU A 76 7.757 4.065 0.625 1.00 0.00 O ATOM 1101 CB GLU A 76 9.215 6.673 -0.626 1.00 0.00 C ATOM 1102 CG GLU A 76 10.696 7.057 -0.592 1.00 0.00 C ATOM 1103 CD GLU A 76 10.897 8.408 0.097 1.00 0.00 C ATOM 1104 OE1 GLU A 76 9.914 9.077 0.447 1.00 0.00 O ATOM 1105 OE2 GLU A 76 12.128 8.756 0.267 1.00 0.00 O ATOM 0 H GLU A 76 9.929 4.672 1.412 1.00 0.00 H new ATOM 0 HA GLU A 76 8.376 7.156 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.064 5.854 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.625 7.516 -0.987 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.262 6.289 -0.066 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.087 7.101 -1.608 1.00 0.00 H new ATOM 1111 N MET A 77 6.355 5.840 0.614 1.00 0.00 N ATOM 1112 CA MET A 77 5.153 5.031 0.517 1.00 0.00 C ATOM 1113 C MET A 77 4.480 5.211 -0.846 1.00 0.00 C ATOM 1114 O MET A 77 4.172 6.332 -1.248 1.00 0.00 O ATOM 1115 CB MET A 77 4.176 5.431 1.625 1.00 0.00 C ATOM 1116 CG MET A 77 3.332 6.635 1.203 1.00 0.00 C ATOM 1117 SD MET A 77 4.360 8.090 1.084 1.00 0.00 S ATOM 1118 CE MET A 77 3.608 8.887 -0.325 1.00 0.00 C ATOM 0 H MET A 77 6.191 6.846 0.642 1.00 0.00 H new ATOM 0 HA MET A 77 5.433 3.984 0.629 1.00 0.00 H new ATOM 0 HB2 MET A 77 3.524 4.590 1.861 1.00 0.00 H new ATOM 0 HB3 MET A 77 4.729 5.670 2.533 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.855 6.437 0.243 1.00 0.00 H new ATOM 0 HG3 MET A 77 2.534 6.802 1.927 1.00 0.00 H new ATOM 0 HE1 MET A 77 4.368 9.435 -0.882 1.00 0.00 H new ATOM 0 HE2 MET A 77 3.157 8.134 -0.971 1.00 0.00 H new ATOM 0 HE3 MET A 77 2.839 9.580 0.016 1.00 0.00 H new ATOM 1126 N VAL A 78 4.271 4.089 -1.520 1.00 0.00 N ATOM 1127 CA VAL A 78 3.641 4.109 -2.829 1.00 0.00 C ATOM 1128 C VAL A 78 2.554 3.033 -2.883 1.00 0.00 C ATOM 1129 O VAL A 78 2.618 2.045 -2.153 1.00 0.00 O ATOM 1130 CB VAL A 78 4.699 3.945 -3.922 1.00 0.00 C ATOM 1131 CG1 VAL A 78 4.102 4.203 -5.306 1.00 0.00 C ATOM 1132 CG2 VAL A 78 5.900 4.857 -3.663 1.00 0.00 C ATOM 0 H VAL A 78 4.527 3.161 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 78 3.157 5.070 -3.005 1.00 0.00 H new ATOM 0 HB VAL A 78 5.050 2.913 -3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.875 4.080 -6.064 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.295 3.494 -5.492 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.710 5.219 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.637 4.721 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.571 5.896 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.348 4.604 -2.702 1.00 0.00 H new ATOM 1142 N VAL A 79 1.582 3.262 -3.754 1.00 0.00 N ATOM 1143 CA VAL A 79 0.483 2.326 -3.912 1.00 0.00 C ATOM 1144 C VAL A 79 -0.098 2.462 -5.321 1.00 0.00 C ATOM 1145 O VAL A 79 -0.377 3.570 -5.776 1.00 0.00 O ATOM 1146 CB VAL A 79 -0.557 2.548 -2.812 1.00 0.00 C ATOM 1147 CG1 VAL A 79 -1.196 3.932 -2.934 1.00 0.00 C ATOM 1148 CG2 VAL A 79 -1.620 1.449 -2.832 1.00 0.00 C ATOM 0 H VAL A 79 1.533 4.083 -4.358 1.00 0.00 H new ATOM 0 HA VAL A 79 0.836 1.301 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.044 2.499 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.931 4.064 -2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.425 4.698 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.687 4.022 -3.903 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.347 1.631 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -2.127 1.451 -3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.145 0.481 -2.673 1.00 0.00 H new ATOM 1158 N CYS A 80 -0.264 1.320 -5.971 1.00 0.00 N ATOM 1159 CA CYS A 80 -0.808 1.297 -7.318 1.00 0.00 C ATOM 1160 C CYS A 80 -1.885 0.213 -7.385 1.00 0.00 C ATOM 1161 O CYS A 80 -2.267 -0.351 -6.360 1.00 0.00 O ATOM 1162 CB CYS A 80 0.286 1.079 -8.365 1.00 0.00 C ATOM 1163 SG CYS A 80 1.236 -0.434 -7.973 1.00 0.00 S ATOM 0 H CYS A 80 -0.031 0.403 -5.590 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.254 2.264 -7.548 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.160 0.992 -9.356 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.953 1.941 -8.390 1.00 0.00 H new ATOM 0 HG CYS A 80 1.333 -0.564 -6.683 1.00 0.00 H new ATOM 1168 N ALA A 81 -2.345 -0.046 -8.599 1.00 0.00 N ATOM 1169 CA ALA A 81 -3.371 -1.052 -8.812 1.00 0.00 C ATOM 1170 C ALA A 81 -4.718 -0.511 -8.328 1.00 0.00 C ATOM 1171 O ALA A 81 -5.464 -1.215 -7.648 1.00 0.00 O ATOM 1172 CB ALA A 81 -2.973 -2.347 -8.101 1.00 0.00 C ATOM 0 H ALA A 81 -2.026 0.424 -9.446 1.00 0.00 H new ATOM 0 HA ALA A 81 -3.470 -1.280 -9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -3.743 -3.101 -8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.025 -2.706 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.867 -2.158 -7.033 1.00 0.00 H new ATOM 1178 N ILE A 82 -4.988 0.732 -8.696 1.00 0.00 N ATOM 1179 CA ILE A 82 -6.232 1.375 -8.308 1.00 0.00 C ATOM 1180 C ILE A 82 -7.351 0.918 -9.246 1.00 0.00 C ATOM 1181 O ILE A 82 -7.363 -0.227 -9.694 1.00 0.00 O ATOM 1182 CB ILE A 82 -6.056 2.893 -8.253 1.00 0.00 C ATOM 1183 CG1 ILE A 82 -7.045 3.524 -7.271 1.00 0.00 C ATOM 1184 CG2 ILE A 82 -6.162 3.509 -9.649 1.00 0.00 C ATOM 1185 CD1 ILE A 82 -6.577 3.341 -5.826 1.00 0.00 C ATOM 0 H ILE A 82 -4.366 1.312 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 82 -6.518 1.075 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.053 3.107 -7.883 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.153 4.586 -7.490 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -8.028 3.071 -7.398 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -6.033 4.589 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.387 3.091 -10.291 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.142 3.286 -10.071 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.298 3.799 -5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -6.494 2.277 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -5.605 3.816 -5.695 1.00 0.00 H new ATOM 1196 N SER A 83 -8.265 1.839 -9.515 1.00 0.00 N ATOM 1197 CA SER A 83 -9.386 1.546 -10.392 1.00 0.00 C ATOM 1198 C SER A 83 -10.331 2.747 -10.453 1.00 0.00 C ATOM 1199 O SER A 83 -10.276 3.629 -9.596 1.00 0.00 O ATOM 1200 CB SER A 83 -10.141 0.300 -9.925 1.00 0.00 C ATOM 1201 OG SER A 83 -10.359 -0.622 -10.989 1.00 0.00 O ATOM 0 H SER A 83 -8.252 2.788 -9.141 1.00 0.00 H new ATOM 0 HA SER A 83 -8.995 1.348 -11.390 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.577 -0.189 -9.131 1.00 0.00 H new ATOM 0 HB3 SER A 83 -11.100 0.595 -9.499 1.00 0.00 H new ATOM 0 HG SER A 83 -10.842 -1.404 -10.650 1.00 0.00 H new ATOM 1206 N PRO A 84 -11.200 2.744 -11.499 1.00 0.00 N ATOM 1207 CA PRO A 84 -12.156 3.823 -11.682 1.00 0.00 C ATOM 1208 C PRO A 84 -13.308 3.711 -10.681 1.00 0.00 C ATOM 1209 O PRO A 84 -14.133 4.616 -10.574 1.00 0.00 O ATOM 1210 CB PRO A 84 -12.611 3.704 -13.127 1.00 0.00 C ATOM 1211 CG PRO A 84 -12.251 2.294 -13.563 1.00 0.00 C ATOM 1212 CD PRO A 84 -11.294 1.717 -12.532 1.00 0.00 C ATOM 0 HA PRO A 84 -11.723 4.805 -11.494 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.684 3.878 -13.214 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -12.116 4.445 -13.755 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -13.147 1.678 -13.639 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -11.787 2.306 -14.549 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -11.670 0.778 -12.124 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -10.319 1.506 -12.971 1.00 0.00 H new ATOM 1217 N ALA A 85 -13.327 2.590 -9.973 1.00 0.00 N ATOM 1218 CA ALA A 85 -14.364 2.347 -8.985 1.00 0.00 C ATOM 1219 C ALA A 85 -13.713 1.989 -7.647 1.00 0.00 C ATOM 1220 O ALA A 85 -14.357 1.404 -6.777 1.00 0.00 O ATOM 1221 CB ALA A 85 -15.303 1.250 -9.489 1.00 0.00 C ATOM 0 H ALA A 85 -12.641 1.841 -10.064 1.00 0.00 H new ATOM 0 HA ALA A 85 -14.965 3.243 -8.830 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -16.081 1.068 -8.747 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -15.762 1.566 -10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.737 0.333 -9.653 1.00 0.00 H new ATOM 1227 N VAL A 86 -12.446 2.353 -7.525 1.00 0.00 N ATOM 1228 CA VAL A 86 -11.701 2.078 -6.308 1.00 0.00 C ATOM 1229 C VAL A 86 -11.002 3.356 -5.842 1.00 0.00 C ATOM 1230 O VAL A 86 -10.899 3.609 -4.643 1.00 0.00 O ATOM 1231 CB VAL A 86 -10.731 0.916 -6.541 1.00 0.00 C ATOM 1232 CG1 VAL A 86 -9.546 0.991 -5.576 1.00 0.00 C ATOM 1233 CG2 VAL A 86 -11.450 -0.430 -6.425 1.00 0.00 C ATOM 0 H VAL A 86 -11.915 2.837 -8.249 1.00 0.00 H new ATOM 0 HA VAL A 86 -12.375 1.768 -5.509 1.00 0.00 H new ATOM 0 HB VAL A 86 -10.342 1.001 -7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.872 0.155 -5.762 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.012 1.929 -5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.909 0.943 -4.549 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -10.739 -1.238 -6.595 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -11.880 -0.528 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -12.244 -0.483 -7.169 1.00 0.00 H new ATOM 1243 N LYS A 87 -10.540 4.128 -6.815 1.00 0.00 N ATOM 1244 CA LYS A 87 -9.853 5.374 -6.518 1.00 0.00 C ATOM 1245 C LYS A 87 -10.861 6.389 -5.975 1.00 0.00 C ATOM 1246 O LYS A 87 -10.475 7.437 -5.457 1.00 0.00 O ATOM 1247 CB LYS A 87 -9.084 5.868 -7.745 1.00 0.00 C ATOM 1248 CG LYS A 87 -9.893 6.914 -8.515 1.00 0.00 C ATOM 1249 CD LYS A 87 -9.532 6.899 -10.002 1.00 0.00 C ATOM 1250 CE LYS A 87 -9.207 8.310 -10.500 1.00 0.00 C ATOM 1251 NZ LYS A 87 -9.389 8.396 -11.967 1.00 0.00 N ATOM 0 H LYS A 87 -10.628 3.915 -7.809 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.104 5.220 -5.742 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -8.132 6.297 -7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.856 5.026 -8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.958 6.717 -8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.702 7.904 -8.101 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.675 6.245 -10.166 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.361 6.488 -10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.853 9.035 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.180 8.567 -10.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.165 9.359 -12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.755 7.718 -12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.375 8.171 -12.208 1.00 0.00 H new ATOM 1260 N ARG A 88 -12.133 6.044 -6.113 1.00 0.00 N ATOM 1261 CA ARG A 88 -13.199 6.913 -5.642 1.00 0.00 C ATOM 1262 C ARG A 88 -13.163 7.018 -4.117 1.00 0.00 C ATOM 1263 O ARG A 88 -13.598 8.019 -3.549 1.00 0.00 O ATOM 1264 CB ARG A 88 -14.569 6.390 -6.079 1.00 0.00 C ATOM 1265 CG ARG A 88 -15.175 5.481 -5.009 1.00 0.00 C ATOM 1266 CD ARG A 88 -14.430 4.146 -4.937 1.00 0.00 C ATOM 1267 NE ARG A 88 -15.391 3.024 -5.034 1.00 0.00 N ATOM 1268 CZ ARG A 88 -16.269 2.694 -4.065 1.00 0.00 C ATOM 1269 NH1 ARG A 88 -16.316 3.397 -2.913 1.00 0.00 N ATOM 1270 NH2 ARG A 88 -17.082 1.670 -4.259 1.00 0.00 N ATOM 0 H ARG A 88 -12.449 5.175 -6.544 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.042 7.898 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.238 7.229 -6.270 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.471 5.840 -7.015 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.134 5.977 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.227 5.303 -5.231 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.702 4.083 -5.745 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.875 4.080 -4.001 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.389 2.465 -5.887 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.684 4.185 -2.770 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.983 3.140 -2.186 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.039 1.143 -5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.752 1.407 -3.536 1.00 0.00 H new ATOM 1280 N LEU A 89 -12.643 5.970 -3.495 1.00 0.00 N ATOM 1281 CA LEU A 89 -12.545 5.931 -2.046 1.00 0.00 C ATOM 1282 C LEU A 89 -11.680 7.099 -1.566 1.00 0.00 C ATOM 1283 O LEU A 89 -12.044 7.800 -0.623 1.00 0.00 O ATOM 1284 CB LEU A 89 -12.046 4.563 -1.578 1.00 0.00 C ATOM 1285 CG LEU A 89 -13.022 3.748 -0.728 1.00 0.00 C ATOM 1286 CD1 LEU A 89 -12.392 2.424 -0.289 1.00 0.00 C ATOM 1287 CD2 LEU A 89 -13.528 4.565 0.462 1.00 0.00 C ATOM 0 H LEU A 89 -12.285 5.141 -3.969 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.529 6.056 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -11.782 3.975 -2.457 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.130 4.709 -1.005 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.889 3.504 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -13.106 1.863 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -12.123 1.840 -1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -11.498 2.625 0.301 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -14.220 3.962 1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.684 4.860 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.041 5.456 0.100 1.00 0.00 H new ATOM 1298 N PHE A 90 -10.551 7.271 -2.237 1.00 0.00 N ATOM 1299 CA PHE A 90 -9.630 8.342 -1.891 1.00 0.00 C ATOM 1300 C PHE A 90 -10.008 9.641 -2.604 1.00 0.00 C ATOM 1301 O PHE A 90 -9.663 10.728 -2.146 1.00 0.00 O ATOM 1302 CB PHE A 90 -8.240 7.904 -2.356 1.00 0.00 C ATOM 1303 CG PHE A 90 -7.860 6.485 -1.928 1.00 0.00 C ATOM 1304 CD1 PHE A 90 -8.219 5.423 -2.698 1.00 0.00 C ATOM 1305 CD2 PHE A 90 -7.161 6.285 -0.778 1.00 0.00 C ATOM 1306 CE1 PHE A 90 -7.866 4.106 -2.301 1.00 0.00 C ATOM 1307 CE2 PHE A 90 -6.808 4.969 -0.381 1.00 0.00 C ATOM 1308 CZ PHE A 90 -7.168 3.907 -1.151 1.00 0.00 C ATOM 0 H PHE A 90 -10.252 6.687 -3.018 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.660 8.527 -0.817 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.194 7.969 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.500 8.601 -1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.773 5.581 -3.612 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -6.875 7.128 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.152 3.263 -2.912 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.254 4.811 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.899 2.905 -0.849 1.00 0.00 H new ATOM 1317 N ASP A 91 -10.712 9.486 -3.716 1.00 0.00 N ATOM 1318 CA ASP A 91 -11.140 10.633 -4.498 1.00 0.00 C ATOM 1319 C ASP A 91 -12.246 11.374 -3.744 1.00 0.00 C ATOM 1320 O ASP A 91 -12.338 12.598 -3.815 1.00 0.00 O ATOM 1321 CB ASP A 91 -11.701 10.198 -5.853 1.00 0.00 C ATOM 1322 CG ASP A 91 -11.056 10.872 -7.066 1.00 0.00 C ATOM 1323 OD1 ASP A 91 -9.960 10.491 -7.501 1.00 0.00 O ATOM 1324 OD2 ASP A 91 -11.737 11.843 -7.577 1.00 0.00 O ATOM 0 H ASP A 91 -10.997 8.582 -4.094 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.274 11.275 -4.656 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.581 9.119 -5.949 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.771 10.403 -5.869 1.00 0.00 H new ATOM 1329 N MET A 92 -13.059 10.600 -3.041 1.00 0.00 N ATOM 1330 CA MET A 92 -14.156 11.168 -2.275 1.00 0.00 C ATOM 1331 C MET A 92 -13.683 11.619 -0.891 1.00 0.00 C ATOM 1332 O MET A 92 -14.192 12.598 -0.347 1.00 0.00 O ATOM 1333 CB MET A 92 -15.265 10.124 -2.119 1.00 0.00 C ATOM 1334 CG MET A 92 -16.099 10.016 -3.398 1.00 0.00 C ATOM 1335 SD MET A 92 -16.913 8.429 -3.463 1.00 0.00 S ATOM 1336 CE MET A 92 -18.106 8.639 -2.151 1.00 0.00 C ATOM 0 H MET A 92 -12.981 9.585 -2.985 1.00 0.00 H new ATOM 0 HA MET A 92 -14.536 12.038 -2.811 1.00 0.00 H new ATOM 0 HB2 MET A 92 -14.826 9.154 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 92 -15.909 10.394 -1.282 1.00 0.00 H new ATOM 0 HG2 MET A 92 -16.839 10.815 -3.428 1.00 0.00 H new ATOM 0 HG3 MET A 92 -15.459 10.142 -4.271 1.00 0.00 H new ATOM 0 HE1 MET A 92 -18.762 7.769 -2.113 1.00 0.00 H new ATOM 0 HE2 MET A 92 -17.585 8.743 -1.199 1.00 0.00 H new ATOM 0 HE3 MET A 92 -18.700 9.533 -2.339 1.00 0.00 H new ATOM 1344 N SER A 93 -12.714 10.886 -0.364 1.00 0.00 N ATOM 1345 CA SER A 93 -12.167 11.199 0.945 1.00 0.00 C ATOM 1346 C SER A 93 -11.409 12.527 0.891 1.00 0.00 C ATOM 1347 O SER A 93 -11.335 13.245 1.888 1.00 0.00 O ATOM 1348 CB SER A 93 -11.245 10.082 1.438 1.00 0.00 C ATOM 1349 OG SER A 93 -11.863 9.287 2.447 1.00 0.00 O ATOM 0 H SER A 93 -12.293 10.076 -0.820 1.00 0.00 H new ATOM 0 HA SER A 93 -12.994 11.288 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.963 9.447 0.598 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.326 10.517 1.831 1.00 0.00 H new ATOM 0 HG SER A 93 -11.244 8.584 2.735 1.00 0.00 H new ATOM 1354 N GLY A 94 -10.864 12.814 -0.283 1.00 0.00 N ATOM 1355 CA GLY A 94 -10.114 14.043 -0.480 1.00 0.00 C ATOM 1356 C GLY A 94 -8.776 13.993 0.259 1.00 0.00 C ATOM 1357 O GLY A 94 -8.128 15.021 0.449 1.00 0.00 O ATOM 0 H GLY A 94 -10.927 12.216 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.940 14.200 -1.544 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.699 14.891 -0.124 1.00 0.00 H new ATOM 1361 N LEU A 95 -8.400 12.786 0.655 1.00 0.00 N ATOM 1362 CA LEU A 95 -7.149 12.587 1.368 1.00 0.00 C ATOM 1363 C LEU A 95 -6.215 11.721 0.520 1.00 0.00 C ATOM 1364 O LEU A 95 -5.179 11.264 1.001 1.00 0.00 O ATOM 1365 CB LEU A 95 -7.412 12.022 2.764 1.00 0.00 C ATOM 1366 CG LEU A 95 -6.346 12.319 3.821 1.00 0.00 C ATOM 1367 CD1 LEU A 95 -5.721 13.697 3.596 1.00 0.00 C ATOM 1368 CD2 LEU A 95 -6.917 12.172 5.233 1.00 0.00 C ATOM 0 H LEU A 95 -8.940 11.935 0.496 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.645 13.541 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.366 12.413 3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -7.522 10.941 2.682 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.549 11.583 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.967 13.884 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.255 13.729 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.495 14.462 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.139 12.389 5.965 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.744 12.870 5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.276 11.153 5.376 1.00 0.00 H new ATOM 1379 N PHE A 96 -6.615 11.522 -0.728 1.00 0.00 N ATOM 1380 CA PHE A 96 -5.827 10.719 -1.647 1.00 0.00 C ATOM 1381 C PHE A 96 -4.358 11.146 -1.626 1.00 0.00 C ATOM 1382 O PHE A 96 -3.463 10.312 -1.752 1.00 0.00 O ATOM 1383 CB PHE A 96 -6.396 10.956 -3.047 1.00 0.00 C ATOM 1384 CG PHE A 96 -6.604 9.676 -3.858 1.00 0.00 C ATOM 1385 CD1 PHE A 96 -5.893 8.556 -3.557 1.00 0.00 C ATOM 1386 CD2 PHE A 96 -7.499 9.657 -4.882 1.00 0.00 C ATOM 1387 CE1 PHE A 96 -6.087 7.368 -4.310 1.00 0.00 C ATOM 1388 CE2 PHE A 96 -7.693 8.469 -5.635 1.00 0.00 C ATOM 1389 CZ PHE A 96 -6.982 7.349 -5.333 1.00 0.00 C ATOM 0 H PHE A 96 -7.474 11.903 -1.124 1.00 0.00 H new ATOM 0 HA PHE A 96 -5.876 9.668 -1.361 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -7.350 11.476 -2.957 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -5.723 11.616 -3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.181 8.570 -2.745 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -8.063 10.546 -5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.523 6.479 -4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.405 8.454 -6.447 1.00 0.00 H new ATOM 0 HZ PHE A 96 -7.129 6.445 -5.906 1.00 0.00 H new ATOM 1398 N LYS A 97 -4.154 12.446 -1.467 1.00 0.00 N ATOM 1399 CA LYS A 97 -2.809 12.993 -1.428 1.00 0.00 C ATOM 1400 C LYS A 97 -2.047 12.378 -0.254 1.00 0.00 C ATOM 1401 O LYS A 97 -0.817 12.346 -0.257 1.00 0.00 O ATOM 1402 CB LYS A 97 -2.854 14.523 -1.400 1.00 0.00 C ATOM 1403 CG LYS A 97 -3.900 15.059 -2.379 1.00 0.00 C ATOM 1404 CD LYS A 97 -3.271 16.040 -3.370 1.00 0.00 C ATOM 1405 CE LYS A 97 -4.304 16.528 -4.388 1.00 0.00 C ATOM 1406 NZ LYS A 97 -5.165 17.575 -3.792 1.00 0.00 N ATOM 0 H LYS A 97 -4.898 13.136 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 97 -2.264 12.730 -2.334 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -3.086 14.865 -0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.873 14.924 -1.655 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.354 14.230 -2.921 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -4.699 15.555 -1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.856 16.892 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.443 15.557 -3.889 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.797 16.923 -5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.917 15.691 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.860 17.895 -4.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.663 17.186 -2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -4.577 18.380 -3.495 1.00 0.00 H new ATOM 1415 N ILE A 98 -2.807 11.907 0.722 1.00 0.00 N ATOM 1416 CA ILE A 98 -2.218 11.294 1.901 1.00 0.00 C ATOM 1417 C ILE A 98 -1.880 9.833 1.597 1.00 0.00 C ATOM 1418 O ILE A 98 -1.225 9.164 2.395 1.00 0.00 O ATOM 1419 CB ILE A 98 -3.134 11.472 3.113 1.00 0.00 C ATOM 1420 CG1 ILE A 98 -2.399 12.172 4.258 1.00 0.00 C ATOM 1421 CG2 ILE A 98 -3.735 10.134 3.549 1.00 0.00 C ATOM 1422 CD1 ILE A 98 -2.291 11.256 5.479 1.00 0.00 C ATOM 0 H ILE A 98 -3.827 11.937 0.721 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.283 11.791 2.160 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.964 12.116 2.822 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -1.402 12.466 3.930 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.927 13.086 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.382 10.290 4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.318 9.713 2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -2.934 9.445 3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -1.765 11.777 6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.290 10.984 5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -1.741 10.354 5.210 1.00 0.00 H new ATOM 1433 N ILE A 99 -2.341 9.381 0.440 1.00 0.00 N ATOM 1434 CA ILE A 99 -2.095 8.011 0.020 1.00 0.00 C ATOM 1435 C ILE A 99 -1.297 8.019 -1.286 1.00 0.00 C ATOM 1436 O ILE A 99 -0.747 6.994 -1.685 1.00 0.00 O ATOM 1437 CB ILE A 99 -3.410 7.233 -0.067 1.00 0.00 C ATOM 1438 CG1 ILE A 99 -4.046 7.077 1.316 1.00 0.00 C ATOM 1439 CG2 ILE A 99 -3.205 5.885 -0.760 1.00 0.00 C ATOM 1440 CD1 ILE A 99 -3.048 6.490 2.316 1.00 0.00 C ATOM 0 H ILE A 99 -2.883 9.939 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 99 -1.490 7.487 0.761 1.00 0.00 H new ATOM 0 HB ILE A 99 -4.107 7.806 -0.679 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -4.394 8.047 1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.920 6.430 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.155 5.353 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.829 6.049 -1.770 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.485 5.292 -0.196 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.526 6.390 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.720 5.510 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.186 7.152 2.401 1.00 0.00 H new ATOM 1451 N ARG A 100 -1.261 9.184 -1.913 1.00 0.00 N ATOM 1452 CA ARG A 100 -0.539 9.338 -3.165 1.00 0.00 C ATOM 1453 C ARG A 100 -0.605 8.043 -3.978 1.00 0.00 C ATOM 1454 O ARG A 100 0.256 7.177 -3.843 1.00 0.00 O ATOM 1455 CB ARG A 100 0.927 9.700 -2.916 1.00 0.00 C ATOM 1456 CG ARG A 100 1.437 10.680 -3.974 1.00 0.00 C ATOM 1457 CD ARG A 100 2.828 11.203 -3.611 1.00 0.00 C ATOM 1458 NE ARG A 100 2.900 12.661 -3.858 1.00 0.00 N ATOM 1459 CZ ARG A 100 2.544 13.600 -2.954 1.00 0.00 C ATOM 1460 NH1 ARG A 100 2.086 13.240 -1.737 1.00 0.00 N ATOM 1461 NH2 ARG A 100 2.649 14.874 -3.281 1.00 0.00 N ATOM 0 H ARG A 100 -1.720 10.031 -1.578 1.00 0.00 H new ATOM 0 HA ARG A 100 -1.012 10.147 -3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 100 1.033 10.141 -1.925 1.00 0.00 H new ATOM 0 HB3 ARG A 100 1.536 8.796 -2.929 1.00 0.00 H new ATOM 0 HG2 ARG A 100 1.472 10.186 -4.945 1.00 0.00 H new ATOM 0 HG3 ARG A 100 0.743 11.515 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.043 10.992 -2.563 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.585 10.688 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 100 3.239 12.976 -4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 100 2.006 12.253 -1.494 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.819 13.955 -1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 100 2.994 15.137 -4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.385 15.596 -2.611 1.00 0.00 H new ATOM 1471 N PHE A 101 -1.638 7.954 -4.805 1.00 0.00 N ATOM 1472 CA PHE A 101 -1.829 6.781 -5.640 1.00 0.00 C ATOM 1473 C PHE A 101 -1.501 7.088 -7.102 1.00 0.00 C ATOM 1474 O PHE A 101 -1.192 8.229 -7.446 1.00 0.00 O ATOM 1475 CB PHE A 101 -3.303 6.389 -5.531 1.00 0.00 C ATOM 1476 CG PHE A 101 -3.534 4.901 -5.258 1.00 0.00 C ATOM 1477 CD1 PHE A 101 -3.564 4.017 -6.291 1.00 0.00 C ATOM 1478 CD2 PHE A 101 -3.710 4.463 -3.983 1.00 0.00 C ATOM 1479 CE1 PHE A 101 -3.778 2.636 -6.038 1.00 0.00 C ATOM 1480 CE2 PHE A 101 -3.924 3.083 -3.729 1.00 0.00 C ATOM 1481 CZ PHE A 101 -3.953 2.198 -4.762 1.00 0.00 C ATOM 0 H PHE A 101 -2.351 8.676 -4.914 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.170 5.979 -5.309 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -3.765 6.970 -4.733 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -3.810 6.661 -6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.425 4.365 -7.304 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -3.687 5.165 -3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -3.802 1.934 -6.858 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -4.064 2.736 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.115 1.148 -4.569 1.00 0.00 H new ATOM 1490 N GLU A 102 -1.579 6.053 -7.924 1.00 0.00 N ATOM 1491 CA GLU A 102 -1.295 6.198 -9.341 1.00 0.00 C ATOM 1492 C GLU A 102 -2.159 5.235 -10.158 1.00 0.00 C ATOM 1493 O GLU A 102 -3.292 4.939 -9.780 1.00 0.00 O ATOM 1494 CB GLU A 102 0.191 5.979 -9.627 1.00 0.00 C ATOM 1495 CG GLU A 102 0.731 7.050 -10.578 1.00 0.00 C ATOM 1496 CD GLU A 102 1.503 8.125 -9.810 1.00 0.00 C ATOM 1497 OE1 GLU A 102 2.256 7.802 -8.879 1.00 0.00 O ATOM 1498 OE2 GLU A 102 1.301 9.334 -10.211 1.00 0.00 O ATOM 0 H GLU A 102 -1.835 5.109 -7.635 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.542 7.217 -9.638 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.752 6.001 -8.693 1.00 0.00 H new ATOM 0 HB3 GLU A 102 0.339 4.992 -10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.383 6.588 -11.319 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.095 7.509 -11.122 1.00 0.00 H new ATOM 1504 N GLN A 103 -1.591 4.773 -11.262 1.00 0.00 N ATOM 1505 CA GLN A 103 -2.295 3.848 -12.135 1.00 0.00 C ATOM 1506 C GLN A 103 -1.297 2.981 -12.905 1.00 0.00 C ATOM 1507 O GLN A 103 -0.824 3.371 -13.971 1.00 0.00 O ATOM 1508 CB GLN A 103 -3.223 4.598 -13.093 1.00 0.00 C ATOM 1509 CG GLN A 103 -4.336 5.316 -12.327 1.00 0.00 C ATOM 1510 CD GLN A 103 -5.242 6.098 -13.281 1.00 0.00 C ATOM 1511 OE1 GLN A 103 -4.791 6.774 -14.192 1.00 0.00 O ATOM 1512 NE2 GLN A 103 -6.539 5.968 -13.025 1.00 0.00 N ATOM 0 H GLN A 103 -0.652 5.022 -11.572 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.913 3.195 -11.518 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -2.648 5.322 -13.670 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -3.660 3.898 -13.805 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -4.928 4.588 -11.772 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -3.899 5.996 -11.596 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -6.849 5.387 -12.247 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.224 6.450 -13.607 1.00 0.00 H new ATOM 1519 N SER A 104 -1.007 1.820 -12.335 1.00 0.00 N ATOM 1520 CA SER A 104 -0.074 0.894 -12.955 1.00 0.00 C ATOM 1521 C SER A 104 1.206 1.631 -13.354 1.00 0.00 C ATOM 1522 O SER A 104 2.281 1.345 -12.830 1.00 0.00 O ATOM 1523 CB SER A 104 -0.700 0.216 -14.174 1.00 0.00 C ATOM 1524 OG SER A 104 0.265 -0.498 -14.941 1.00 0.00 O ATOM 0 H SER A 104 -1.402 1.500 -11.451 1.00 0.00 H new ATOM 0 HA SER A 104 0.173 0.118 -12.230 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.482 -0.469 -13.846 1.00 0.00 H new ATOM 0 HB3 SER A 104 -1.178 0.968 -14.802 1.00 0.00 H new ATOM 0 HG SER A 104 -0.174 -0.918 -15.710 1.00 0.00 H new ATOM 1529 N GLU A 105 1.048 2.565 -14.281 1.00 0.00 N ATOM 1530 CA GLU A 105 2.178 3.345 -14.758 1.00 0.00 C ATOM 1531 C GLU A 105 3.169 3.593 -13.619 1.00 0.00 C ATOM 1532 O GLU A 105 4.375 3.681 -13.849 1.00 0.00 O ATOM 1533 CB GLU A 105 1.711 4.665 -15.375 1.00 0.00 C ATOM 1534 CG GLU A 105 2.905 5.529 -15.788 1.00 0.00 C ATOM 1535 CD GLU A 105 2.756 6.017 -17.230 1.00 0.00 C ATOM 1536 OE1 GLU A 105 2.185 5.305 -18.069 1.00 0.00 O ATOM 1537 OE2 GLU A 105 3.259 7.181 -17.467 1.00 0.00 O ATOM 0 H GLU A 105 0.155 2.799 -14.714 1.00 0.00 H new ATOM 0 HA GLU A 105 2.685 2.776 -15.538 1.00 0.00 H new ATOM 0 HB2 GLU A 105 1.085 4.463 -16.244 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.095 5.208 -14.658 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.989 6.384 -15.118 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.826 4.955 -15.688 1.00 0.00 H new ATOM 1543 N GLN A 106 2.626 3.698 -12.416 1.00 0.00 N ATOM 1544 CA GLN A 106 3.447 3.934 -11.241 1.00 0.00 C ATOM 1545 C GLN A 106 4.346 2.726 -10.970 1.00 0.00 C ATOM 1546 O GLN A 106 5.250 2.794 -10.138 1.00 0.00 O ATOM 1547 CB GLN A 106 2.582 4.259 -10.022 1.00 0.00 C ATOM 1548 CG GLN A 106 3.343 3.988 -8.722 1.00 0.00 C ATOM 1549 CD GLN A 106 2.772 4.818 -7.570 1.00 0.00 C ATOM 1550 OE1 GLN A 106 3.169 5.945 -7.325 1.00 0.00 O ATOM 1551 NE2 GLN A 106 1.818 4.200 -6.879 1.00 0.00 N ATOM 0 H GLN A 106 1.626 3.624 -12.229 1.00 0.00 H new ATOM 0 HA GLN A 106 4.082 4.799 -11.434 1.00 0.00 H new ATOM 0 HB2 GLN A 106 2.276 5.304 -10.057 1.00 0.00 H new ATOM 0 HB3 GLN A 106 1.672 3.659 -10.047 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.284 2.928 -8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.398 4.225 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.532 3.255 -7.137 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.372 4.671 -6.091 1.00 0.00 H new ATOM 1558 N GLN A 107 4.065 1.647 -11.687 1.00 0.00 N ATOM 1559 CA GLN A 107 4.836 0.426 -11.535 1.00 0.00 C ATOM 1560 C GLN A 107 6.301 0.755 -11.239 1.00 0.00 C ATOM 1561 O GLN A 107 6.984 0.000 -10.549 1.00 0.00 O ATOM 1562 CB GLN A 107 4.712 -0.460 -12.776 1.00 0.00 C ATOM 1563 CG GLN A 107 5.489 -1.766 -12.597 1.00 0.00 C ATOM 1564 CD GLN A 107 5.819 -2.396 -13.952 1.00 0.00 C ATOM 1565 OE1 GLN A 107 6.916 -2.273 -14.472 1.00 0.00 O ATOM 1566 NE2 GLN A 107 4.813 -3.078 -14.492 1.00 0.00 N ATOM 0 H GLN A 107 3.314 1.594 -12.375 1.00 0.00 H new ATOM 0 HA GLN A 107 4.432 -0.132 -10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.662 -0.681 -12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.088 0.075 -13.648 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.410 -1.573 -12.047 1.00 0.00 H new ATOM 0 HG3 GLN A 107 4.902 -2.464 -12.000 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.920 -3.142 -14.004 1.00 0.00 H new ATOM 0 HE22 GLN A 107 4.935 -3.537 -15.395 1.00 0.00 H new ATOM 1573 N ALA A 108 6.741 1.883 -11.778 1.00 0.00 N ATOM 1574 CA ALA A 108 8.111 2.322 -11.582 1.00 0.00 C ATOM 1575 C ALA A 108 8.209 3.103 -10.270 1.00 0.00 C ATOM 1576 O ALA A 108 9.031 2.782 -9.413 1.00 0.00 O ATOM 1577 CB ALA A 108 8.561 3.149 -12.788 1.00 0.00 C ATOM 0 H ALA A 108 6.172 2.506 -12.351 1.00 0.00 H new ATOM 0 HA ALA A 108 8.781 1.465 -11.507 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.590 3.478 -12.640 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.501 2.540 -13.690 1.00 0.00 H new ATOM 0 HB3 ALA A 108 7.913 4.019 -12.895 1.00 0.00 H new ATOM 1583 N LEU A 109 7.359 4.112 -10.154 1.00 0.00 N ATOM 1584 CA LEU A 109 7.340 4.942 -8.961 1.00 0.00 C ATOM 1585 C LEU A 109 6.953 4.083 -7.755 1.00 0.00 C ATOM 1586 O LEU A 109 7.203 4.463 -6.612 1.00 0.00 O ATOM 1587 CB LEU A 109 6.432 6.156 -9.167 1.00 0.00 C ATOM 1588 CG LEU A 109 7.104 7.525 -9.039 1.00 0.00 C ATOM 1589 CD1 LEU A 109 6.181 8.638 -9.538 1.00 0.00 C ATOM 1590 CD2 LEU A 109 7.578 7.771 -7.606 1.00 0.00 C ATOM 0 H LEU A 109 6.678 4.374 -10.867 1.00 0.00 H new ATOM 0 HA LEU A 109 8.333 5.346 -8.762 1.00 0.00 H new ATOM 0 HB2 LEU A 109 5.983 6.085 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 109 5.618 6.103 -8.443 1.00 0.00 H new ATOM 0 HG LEU A 109 7.989 7.532 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 109 6.683 9.600 -9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.937 8.466 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.264 8.643 -8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.052 8.751 -7.543 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.724 7.736 -6.929 1.00 0.00 H new ATOM 0 HD23 LEU A 109 8.296 7.002 -7.323 1.00 0.00 H new ATOM 1601 N LEU A 110 6.347 2.943 -8.051 1.00 0.00 N ATOM 1602 CA LEU A 110 5.923 2.027 -7.005 1.00 0.00 C ATOM 1603 C LEU A 110 7.140 1.603 -6.180 1.00 0.00 C ATOM 1604 O LEU A 110 7.052 1.473 -4.960 1.00 0.00 O ATOM 1605 CB LEU A 110 5.146 0.852 -7.604 1.00 0.00 C ATOM 1606 CG LEU A 110 4.647 -0.197 -6.608 1.00 0.00 C ATOM 1607 CD1 LEU A 110 3.662 0.416 -5.613 1.00 0.00 C ATOM 1608 CD2 LEU A 110 4.049 -1.403 -7.338 1.00 0.00 C ATOM 0 H LEU A 110 6.139 2.632 -9.000 1.00 0.00 H new ATOM 0 HA LEU A 110 5.232 2.522 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.287 1.248 -8.146 1.00 0.00 H new ATOM 0 HB3 LEU A 110 5.783 0.356 -8.336 1.00 0.00 H new ATOM 0 HG LEU A 110 5.501 -0.557 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.323 -0.351 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.154 1.216 -5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.805 0.821 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.702 -2.134 -6.608 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.210 -1.077 -7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.809 -1.857 -7.973 1.00 0.00 H new ATOM 1619 N THR A 111 8.247 1.400 -6.879 1.00 0.00 N ATOM 1620 CA THR A 111 9.480 0.993 -6.225 1.00 0.00 C ATOM 1621 C THR A 111 9.882 2.016 -5.163 1.00 0.00 C ATOM 1622 O THR A 111 10.820 1.788 -4.399 1.00 0.00 O ATOM 1623 CB THR A 111 10.543 0.790 -7.307 1.00 0.00 C ATOM 1624 OG1 THR A 111 10.842 -0.602 -7.242 1.00 0.00 O ATOM 1625 CG2 THR A 111 11.868 1.473 -6.962 1.00 0.00 C ATOM 0 H THR A 111 8.316 1.510 -7.891 1.00 0.00 H new ATOM 0 HA THR A 111 9.354 0.051 -5.692 1.00 0.00 H new ATOM 0 HB THR A 111 10.173 1.176 -8.257 1.00 0.00 H new ATOM 0 HG1 THR A 111 11.522 -0.822 -7.912 1.00 0.00 H new ATOM 0 HG21 THR A 111 12.587 1.298 -7.762 1.00 0.00 H new ATOM 0 HG22 THR A 111 11.706 2.545 -6.848 1.00 0.00 H new ATOM 0 HG23 THR A 111 12.256 1.064 -6.029 1.00 0.00 H new ATOM 1633 N LEU A 112 9.154 3.124 -5.146 1.00 0.00 N ATOM 1634 CA LEU A 112 9.424 4.183 -4.189 1.00 0.00 C ATOM 1635 C LEU A 112 10.106 5.350 -4.906 1.00 0.00 C ATOM 1636 O LEU A 112 10.800 6.149 -4.278 1.00 0.00 O ATOM 1637 CB LEU A 112 10.221 3.641 -3.001 1.00 0.00 C ATOM 1638 CG LEU A 112 11.744 3.690 -3.136 1.00 0.00 C ATOM 1639 CD1 LEU A 112 12.163 3.708 -4.607 1.00 0.00 C ATOM 1640 CD2 LEU A 112 12.326 4.872 -2.359 1.00 0.00 C ATOM 0 H LEU A 112 8.377 3.311 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 112 8.493 4.565 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.937 4.203 -2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 112 9.924 2.606 -2.832 1.00 0.00 H new ATOM 0 HG LEU A 112 12.156 2.782 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.250 3.743 -4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 112 11.797 2.808 -5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.740 4.586 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.410 4.883 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.911 5.802 -2.747 1.00 0.00 H new ATOM 0 HD23 LEU A 112 12.072 4.774 -1.304 1.00 0.00 H new ATOM 1651 N GLY A 113 9.886 5.412 -6.211 1.00 0.00 N ATOM 1652 CA GLY A 113 10.470 6.468 -7.019 1.00 0.00 C ATOM 1653 C GLY A 113 11.939 6.691 -6.653 1.00 0.00 C ATOM 1654 O GLY A 113 12.362 7.823 -6.427 1.00 0.00 O ATOM 0 H GLY A 113 9.311 4.747 -6.729 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.390 6.209 -8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 113 9.911 7.393 -6.874 1.00 0.00 H new ATOM 1658 N VAL A 114 12.676 5.590 -6.604 1.00 0.00 N ATOM 1659 CA VAL A 114 14.088 5.651 -6.268 1.00 0.00 C ATOM 1660 C VAL A 114 14.661 4.232 -6.233 1.00 0.00 C ATOM 1661 O VAL A 114 14.726 3.611 -5.174 1.00 0.00 O ATOM 1662 CB VAL A 114 14.282 6.406 -4.952 1.00 0.00 C ATOM 1663 CG1 VAL A 114 15.389 5.767 -4.111 1.00 0.00 C ATOM 1664 CG2 VAL A 114 14.572 7.886 -5.206 1.00 0.00 C ATOM 0 H VAL A 114 12.322 4.652 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 114 14.637 6.206 -7.029 1.00 0.00 H new ATOM 0 HB VAL A 114 13.352 6.339 -4.388 1.00 0.00 H new ATOM 0 HG11 VAL A 114 15.506 6.323 -3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 114 15.124 4.734 -3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 114 16.326 5.788 -4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.706 8.399 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 114 15.480 7.982 -5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 114 13.737 8.333 -5.745 1.00 0.00 H new ATOM 1674 N ALA A 115 15.059 3.760 -7.406 1.00 0.00 N ATOM 1675 CA ALA A 115 15.624 2.427 -7.523 1.00 0.00 C ATOM 1676 C ALA A 115 15.354 1.884 -8.928 1.00 0.00 C ATOM 1677 O ALA A 115 14.282 1.344 -9.192 1.00 0.00 O ATOM 1678 CB ALA A 115 15.043 1.529 -6.429 1.00 0.00 C ATOM 0 H ALA A 115 15.001 4.277 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 115 16.705 2.455 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 115 15.467 0.529 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 115 15.288 1.943 -5.451 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.960 1.475 -6.539 1.00 0.00 H new ATOM 1684 N SER A 116 16.346 2.048 -9.791 1.00 0.00 N ATOM 1685 CA SER A 116 16.228 1.582 -11.163 1.00 0.00 C ATOM 1686 C SER A 116 15.049 2.271 -11.851 1.00 0.00 C ATOM 1687 O SER A 116 14.969 2.295 -13.078 1.00 0.00 O ATOM 1688 CB SER A 116 16.059 0.063 -11.215 1.00 0.00 C ATOM 1689 OG SER A 116 17.306 -0.608 -11.377 1.00 0.00 O ATOM 0 H SER A 116 17.234 2.497 -9.567 1.00 0.00 H new ATOM 0 HA SER A 116 17.147 1.837 -11.691 1.00 0.00 H new ATOM 0 HB2 SER A 116 15.579 -0.280 -10.298 1.00 0.00 H new ATOM 0 HB3 SER A 116 15.396 -0.200 -12.039 1.00 0.00 H new ATOM 0 HG SER A 116 17.156 -1.576 -11.404 1.00 0.00 H new TER 1694 SER A 116