USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 866 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 2 SER OG : rot 180:sc= -0.0125 USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0423 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 174:sc= 0 (180deg=-0.0627) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 26:sc= -0.249! USER MOD Single : A 22 ASN : amide:sc= -0.673 K(o=-0.67,f=-3.5!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 38 THR OG1 : rot 180:sc=-0.00849 USER MOD Single : A 40 GLN : amide:sc= -0.0326 K(o=-0.033,f=-1.2) USER MOD Single : A 41 GLN : amide:sc= -3.94! C(o=-3.9!,f=-1.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.13) USER MOD Single : A 47 SER OG : rot -160:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.823 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0113) USER MOD Single : A 57 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.013) USER MOD Single : A 67 GLN : amide:sc=-2.88e-05 X(o=-2.9e-05,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 149:sc= -1.37 (180deg=-2.46!) USER MOD Single : A 74 SER OG : rot 180:sc= -0.262 USER MOD Single : A 76 ASN : amide:sc= -1.66 K(o=-1.7,f=-1.1) USER MOD Single : A 78 GLN : amide:sc= -0.519 X(o=-0.52,f=-0.044) USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0927) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 85 HIS : no HE2:sc= 0.106 K(o=0.11,f=-4!) USER MOD Single : A 86 GLN : amide:sc= 0.0707 X(o=0.071,f=-0.00091) USER MOD Single : A 94 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.6! C(o=-2.6!,f=-1.8!) USER MOD Single : A 105 HIS : no HE2:sc= -0.0307 K(o=-0.031,f=-1.5) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 GLN : amide:sc= -0.0517 K(o=-0.052,f=-0.87) USER MOD Single : A 111 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.8!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.851 13.042 -17.065 1.00 0.00 N ATOM 2 CA GLY A 1 -21.422 13.295 -17.076 1.00 0.00 C ATOM 3 C GLY A 1 -20.734 12.791 -15.822 1.00 0.00 C ATOM 4 O GLY A 1 -21.358 12.678 -14.767 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.082 12.323 -17.780 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.136 12.699 -16.125 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.361 13.922 -17.282 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.978 12.815 -17.948 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.247 14.366 -17.178 1.00 0.00 H new ATOM 8 N SER A 2 -19.445 12.486 -15.938 1.00 0.00 N ATOM 9 CA SER A 2 -18.674 11.986 -14.806 1.00 0.00 C ATOM 10 C SER A 2 -17.902 13.117 -14.133 1.00 0.00 C ATOM 11 O SER A 2 -17.735 13.129 -12.913 1.00 0.00 O ATOM 12 CB SER A 2 -17.705 10.895 -15.265 1.00 0.00 C ATOM 13 OG SER A 2 -16.464 11.450 -15.666 1.00 0.00 O ATOM 0 H SER A 2 -18.913 12.576 -16.804 1.00 0.00 H new ATOM 0 HA SER A 2 -19.370 11.563 -14.082 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.544 10.183 -14.455 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.144 10.340 -16.094 1.00 0.00 H new ATOM 0 HG SER A 2 -15.862 10.732 -15.953 1.00 0.00 H new ATOM 19 N SER A 3 -17.434 14.066 -14.937 1.00 0.00 N ATOM 20 CA SER A 3 -16.676 15.200 -14.421 1.00 0.00 C ATOM 21 C SER A 3 -17.562 16.438 -14.304 1.00 0.00 C ATOM 22 O SER A 3 -18.072 16.945 -15.302 1.00 0.00 O ATOM 23 CB SER A 3 -15.481 15.498 -15.328 1.00 0.00 C ATOM 24 OG SER A 3 -14.652 14.357 -15.471 1.00 0.00 O ATOM 0 H SER A 3 -17.566 14.072 -15.948 1.00 0.00 H new ATOM 0 HA SER A 3 -16.312 14.940 -13.427 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.835 15.819 -16.308 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.902 16.323 -14.912 1.00 0.00 H new ATOM 0 HG SER A 3 -13.896 14.573 -16.057 1.00 0.00 H new ATOM 30 N GLY A 4 -17.738 16.918 -13.077 1.00 0.00 N ATOM 31 CA GLY A 4 -18.562 18.091 -12.851 1.00 0.00 C ATOM 32 C GLY A 4 -19.650 17.847 -11.825 1.00 0.00 C ATOM 33 O GLY A 4 -19.390 17.846 -10.622 1.00 0.00 O ATOM 0 H GLY A 4 -17.325 16.516 -12.236 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.931 18.915 -12.518 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.017 18.398 -13.793 1.00 0.00 H new ATOM 37 N SER A 5 -20.874 17.640 -12.301 1.00 0.00 N ATOM 38 CA SER A 5 -22.008 17.398 -11.416 1.00 0.00 C ATOM 39 C SER A 5 -21.584 16.579 -10.201 1.00 0.00 C ATOM 40 O SER A 5 -21.822 16.972 -9.059 1.00 0.00 O ATOM 41 CB SER A 5 -23.125 16.674 -12.169 1.00 0.00 C ATOM 42 OG SER A 5 -23.490 17.380 -13.343 1.00 0.00 O ATOM 0 H SER A 5 -21.106 17.635 -13.294 1.00 0.00 H new ATOM 0 HA SER A 5 -22.379 18.363 -11.070 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.798 15.668 -12.433 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.994 16.566 -11.521 1.00 0.00 H new ATOM 0 HG SER A 5 -24.204 16.896 -13.807 1.00 0.00 H new ATOM 48 N SER A 6 -20.954 15.437 -10.456 1.00 0.00 N ATOM 49 CA SER A 6 -20.499 14.558 -9.385 1.00 0.00 C ATOM 50 C SER A 6 -19.192 15.067 -8.783 1.00 0.00 C ATOM 51 O SER A 6 -19.056 15.172 -7.565 1.00 0.00 O ATOM 52 CB SER A 6 -20.312 13.134 -9.909 1.00 0.00 C ATOM 53 OG SER A 6 -21.530 12.412 -9.872 1.00 0.00 O ATOM 0 H SER A 6 -20.747 15.098 -11.396 1.00 0.00 H new ATOM 0 HA SER A 6 -21.260 14.553 -8.605 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.936 13.166 -10.932 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.562 12.618 -9.309 1.00 0.00 H new ATOM 0 HG SER A 6 -21.383 11.505 -10.214 1.00 0.00 H new ATOM 59 N GLY A 7 -18.233 15.381 -9.648 1.00 0.00 N ATOM 60 CA GLY A 7 -16.949 15.875 -9.184 1.00 0.00 C ATOM 61 C GLY A 7 -16.047 14.764 -8.685 1.00 0.00 C ATOM 62 O GLY A 7 -16.265 14.217 -7.604 1.00 0.00 O ATOM 0 H GLY A 7 -18.322 15.302 -10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.452 16.405 -9.996 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.109 16.597 -8.383 1.00 0.00 H new ATOM 66 N MET A 8 -15.031 14.428 -9.474 1.00 0.00 N ATOM 67 CA MET A 8 -14.093 13.375 -9.105 1.00 0.00 C ATOM 68 C MET A 8 -13.285 13.772 -7.874 1.00 0.00 C ATOM 69 O MET A 8 -12.839 12.918 -7.111 1.00 0.00 O ATOM 70 CB MET A 8 -13.151 13.070 -10.272 1.00 0.00 C ATOM 71 CG MET A 8 -12.101 12.020 -9.946 1.00 0.00 C ATOM 72 SD MET A 8 -11.120 11.550 -11.384 1.00 0.00 S ATOM 73 CE MET A 8 -10.096 13.006 -11.586 1.00 0.00 C ATOM 0 H MET A 8 -14.837 14.870 -10.373 1.00 0.00 H new ATOM 0 HA MET A 8 -14.667 12.479 -8.867 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.740 12.731 -11.125 1.00 0.00 H new ATOM 0 HB3 MET A 8 -12.651 13.990 -10.575 1.00 0.00 H new ATOM 0 HG2 MET A 8 -11.439 12.402 -9.169 1.00 0.00 H new ATOM 0 HG3 MET A 8 -12.591 11.135 -9.540 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.360 12.827 -12.370 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.721 13.855 -11.862 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.583 13.223 -10.649 1.00 0.00 H new ATOM 83 N ASN A 9 -13.101 15.076 -7.689 1.00 0.00 N ATOM 84 CA ASN A 9 -12.345 15.586 -6.550 1.00 0.00 C ATOM 85 C ASN A 9 -13.010 15.190 -5.235 1.00 0.00 C ATOM 86 O ASN A 9 -14.127 15.613 -4.940 1.00 0.00 O ATOM 87 CB ASN A 9 -12.222 17.109 -6.635 1.00 0.00 C ATOM 88 CG ASN A 9 -11.117 17.548 -7.576 1.00 0.00 C ATOM 89 OD1 ASN A 9 -9.934 17.381 -7.282 1.00 0.00 O ATOM 90 ND2 ASN A 9 -11.501 18.115 -8.714 1.00 0.00 N ATOM 0 H ASN A 9 -13.464 15.797 -8.312 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.348 15.145 -6.579 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -13.170 17.529 -6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.030 17.511 -5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.803 18.433 -9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -12.494 18.233 -8.915 1.00 0.00 H new ATOM 97 N GLY A 10 -12.313 14.376 -4.448 1.00 0.00 N ATOM 98 CA GLY A 10 -12.850 13.937 -3.173 1.00 0.00 C ATOM 99 C GLY A 10 -11.828 14.011 -2.057 1.00 0.00 C ATOM 100 O GLY A 10 -10.813 14.698 -2.179 1.00 0.00 O ATOM 0 H GLY A 10 -11.386 14.013 -4.671 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -13.711 14.553 -2.914 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.208 12.912 -3.267 1.00 0.00 H new ATOM 104 N ARG A 11 -12.095 13.303 -0.964 1.00 0.00 N ATOM 105 CA ARG A 11 -11.191 13.294 0.180 1.00 0.00 C ATOM 106 C ARG A 11 -10.205 12.134 0.084 1.00 0.00 C ATOM 107 O ARG A 11 -10.242 11.350 -0.865 1.00 0.00 O ATOM 108 CB ARG A 11 -11.986 13.195 1.484 1.00 0.00 C ATOM 109 CG ARG A 11 -12.865 14.405 1.755 1.00 0.00 C ATOM 110 CD ARG A 11 -12.106 15.488 2.504 1.00 0.00 C ATOM 111 NE ARG A 11 -11.442 16.419 1.596 1.00 0.00 N ATOM 112 CZ ARG A 11 -10.854 17.542 1.995 1.00 0.00 C ATOM 113 NH1 ARG A 11 -10.847 17.870 3.280 1.00 0.00 N ATOM 114 NH2 ARG A 11 -10.270 18.338 1.108 1.00 0.00 N ATOM 0 H ARG A 11 -12.930 12.729 -0.847 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.629 14.228 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.611 12.303 1.452 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.291 13.068 2.314 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.236 14.805 0.811 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -13.735 14.101 2.336 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -12.796 16.037 3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.364 15.026 3.156 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.429 16.195 0.601 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.294 17.260 3.965 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.395 18.732 3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.272 18.088 0.119 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.819 19.200 1.415 1.00 0.00 H new ATOM 128 N VAL A 12 -9.322 12.031 1.073 1.00 0.00 N ATOM 129 CA VAL A 12 -8.326 10.967 1.101 1.00 0.00 C ATOM 130 C VAL A 12 -8.773 9.818 1.998 1.00 0.00 C ATOM 131 O VAL A 12 -8.030 9.376 2.874 1.00 0.00 O ATOM 132 CB VAL A 12 -6.962 11.488 1.593 1.00 0.00 C ATOM 133 CG1 VAL A 12 -6.414 12.537 0.637 1.00 0.00 C ATOM 134 CG2 VAL A 12 -7.084 12.050 3.001 1.00 0.00 C ATOM 0 H VAL A 12 -9.277 12.672 1.865 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.221 10.605 0.078 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.261 10.653 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.450 12.893 1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.288 12.097 -0.352 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.110 13.373 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.112 12.414 3.333 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.799 12.873 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.429 11.267 3.677 1.00 0.00 H new ATOM 144 N ASP A 13 -9.991 9.339 1.773 1.00 0.00 N ATOM 145 CA ASP A 13 -10.538 8.240 2.560 1.00 0.00 C ATOM 146 C ASP A 13 -10.123 6.894 1.975 1.00 0.00 C ATOM 147 O ASP A 13 -10.342 5.847 2.584 1.00 0.00 O ATOM 148 CB ASP A 13 -12.063 8.336 2.618 1.00 0.00 C ATOM 149 CG ASP A 13 -12.540 9.383 3.606 1.00 0.00 C ATOM 150 OD1 ASP A 13 -11.864 9.575 4.638 1.00 0.00 O ATOM 151 OD2 ASP A 13 -13.589 10.009 3.347 1.00 0.00 O ATOM 0 H ASP A 13 -10.619 9.694 1.052 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.138 8.315 3.571 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -12.447 8.575 1.626 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -12.475 7.365 2.894 1.00 0.00 H new ATOM 156 N TYR A 14 -9.523 6.929 0.790 1.00 0.00 N ATOM 157 CA TYR A 14 -9.080 5.712 0.121 1.00 0.00 C ATOM 158 C TYR A 14 -8.494 4.722 1.122 1.00 0.00 C ATOM 159 O TYR A 14 -7.587 5.057 1.887 1.00 0.00 O ATOM 160 CB TYR A 14 -8.043 6.044 -0.953 1.00 0.00 C ATOM 161 CG TYR A 14 -6.675 6.364 -0.394 1.00 0.00 C ATOM 162 CD1 TYR A 14 -6.492 7.427 0.481 1.00 0.00 C ATOM 163 CD2 TYR A 14 -5.565 5.604 -0.743 1.00 0.00 C ATOM 164 CE1 TYR A 14 -5.244 7.724 0.994 1.00 0.00 C ATOM 165 CE2 TYR A 14 -4.313 5.892 -0.234 1.00 0.00 C ATOM 166 CZ TYR A 14 -4.158 6.953 0.634 1.00 0.00 C ATOM 167 OH TYR A 14 -2.912 7.245 1.141 1.00 0.00 O ATOM 0 H TYR A 14 -9.332 7.787 0.273 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.948 5.251 -0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.958 5.200 -1.638 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -8.396 6.894 -1.537 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.340 8.032 0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.683 4.774 -1.424 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.119 8.555 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.461 5.290 -0.514 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.258 6.606 0.789 1.00 0.00 H new ATOM 177 N LEU A 15 -9.017 3.501 1.113 1.00 0.00 N ATOM 178 CA LEU A 15 -8.545 2.460 2.020 1.00 0.00 C ATOM 179 C LEU A 15 -7.386 1.684 1.403 1.00 0.00 C ATOM 180 O LEU A 15 -7.361 1.440 0.196 1.00 0.00 O ATOM 181 CB LEU A 15 -9.687 1.503 2.366 1.00 0.00 C ATOM 182 CG LEU A 15 -9.617 0.845 3.745 1.00 0.00 C ATOM 183 CD1 LEU A 15 -8.411 -0.076 3.836 1.00 0.00 C ATOM 184 CD2 LEU A 15 -9.566 1.903 4.838 1.00 0.00 C ATOM 0 H LEU A 15 -9.768 3.207 0.488 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.191 2.940 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.627 2.050 2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.717 0.717 1.612 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.517 0.247 3.887 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.378 -0.535 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.489 -0.854 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -7.500 0.500 3.673 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.516 1.417 5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -8.684 2.528 4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.461 2.523 4.787 1.00 0.00 H new ATOM 196 N VAL A 16 -6.429 1.296 2.239 1.00 0.00 N ATOM 197 CA VAL A 16 -5.268 0.545 1.776 1.00 0.00 C ATOM 198 C VAL A 16 -5.234 -0.849 2.394 1.00 0.00 C ATOM 199 O VAL A 16 -5.390 -1.008 3.605 1.00 0.00 O ATOM 200 CB VAL A 16 -3.955 1.276 2.114 1.00 0.00 C ATOM 201 CG1 VAL A 16 -3.976 2.694 1.564 1.00 0.00 C ATOM 202 CG2 VAL A 16 -3.720 1.282 3.617 1.00 0.00 C ATOM 0 H VAL A 16 -6.434 1.489 3.241 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.358 0.458 0.693 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.130 0.741 1.643 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.040 3.195 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.094 2.662 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.809 3.243 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.788 1.803 3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.546 1.792 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.657 0.256 3.980 1.00 0.00 H new ATOM 212 N THR A 17 -5.028 -1.858 1.553 1.00 0.00 N ATOM 213 CA THR A 17 -4.974 -3.239 2.015 1.00 0.00 C ATOM 214 C THR A 17 -3.582 -3.829 1.822 1.00 0.00 C ATOM 215 O THR A 17 -2.995 -3.718 0.746 1.00 0.00 O ATOM 216 CB THR A 17 -5.999 -4.119 1.276 1.00 0.00 C ATOM 217 OG1 THR A 17 -5.595 -4.305 -0.085 1.00 0.00 O ATOM 218 CG2 THR A 17 -7.383 -3.489 1.318 1.00 0.00 C ATOM 0 H THR A 17 -4.896 -1.744 0.548 1.00 0.00 H new ATOM 0 HA THR A 17 -5.216 -3.226 3.078 1.00 0.00 H new ATOM 0 HB THR A 17 -6.042 -5.086 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.623 -4.204 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.090 -4.129 0.790 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.700 -3.376 2.355 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.352 -2.510 0.840 1.00 0.00 H new ATOM 226 N GLU A 18 -3.060 -4.458 2.870 1.00 0.00 N ATOM 227 CA GLU A 18 -1.735 -5.066 2.814 1.00 0.00 C ATOM 228 C GLU A 18 -1.820 -6.509 2.325 1.00 0.00 C ATOM 229 O GLU A 18 -2.599 -7.306 2.845 1.00 0.00 O ATOM 230 CB GLU A 18 -1.070 -5.020 4.191 1.00 0.00 C ATOM 231 CG GLU A 18 -0.268 -3.754 4.438 1.00 0.00 C ATOM 232 CD GLU A 18 -0.161 -3.409 5.911 1.00 0.00 C ATOM 233 OE1 GLU A 18 -1.079 -2.743 6.433 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.841 -3.806 6.541 1.00 0.00 O ATOM 0 H GLU A 18 -3.534 -4.560 3.768 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.131 -4.496 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.838 -5.109 4.959 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.412 -5.883 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.733 -3.876 4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.734 -2.924 3.907 1.00 0.00 H new ATOM 241 N GLU A 19 -1.011 -6.835 1.321 1.00 0.00 N ATOM 242 CA GLU A 19 -0.995 -8.182 0.761 1.00 0.00 C ATOM 243 C GLU A 19 0.435 -8.696 0.622 1.00 0.00 C ATOM 244 O GLU A 19 1.325 -7.971 0.179 1.00 0.00 O ATOM 245 CB GLU A 19 -1.690 -8.199 -0.602 1.00 0.00 C ATOM 246 CG GLU A 19 -1.534 -9.513 -1.348 1.00 0.00 C ATOM 247 CD GLU A 19 -2.573 -9.692 -2.438 1.00 0.00 C ATOM 248 OE1 GLU A 19 -3.778 -9.722 -2.109 1.00 0.00 O ATOM 249 OE2 GLU A 19 -2.182 -9.803 -3.618 1.00 0.00 O ATOM 0 H GLU A 19 -0.359 -6.186 0.880 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.534 -8.839 1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.751 -7.994 -0.462 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.288 -7.393 -1.215 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.538 -9.560 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.609 -10.339 -0.641 1.00 0.00 H new ATOM 256 N GLU A 20 0.645 -9.952 1.004 1.00 0.00 N ATOM 257 CA GLU A 20 1.967 -10.563 0.923 1.00 0.00 C ATOM 258 C GLU A 20 2.130 -11.335 -0.383 1.00 0.00 C ATOM 259 O GLU A 20 1.453 -12.338 -0.612 1.00 0.00 O ATOM 260 CB GLU A 20 2.195 -11.497 2.113 1.00 0.00 C ATOM 261 CG GLU A 20 3.648 -11.898 2.302 1.00 0.00 C ATOM 262 CD GLU A 20 3.858 -12.771 3.524 1.00 0.00 C ATOM 263 OE1 GLU A 20 3.323 -13.899 3.547 1.00 0.00 O ATOM 264 OE2 GLU A 20 4.560 -12.326 4.457 1.00 0.00 O ATOM 0 H GLU A 20 -0.082 -10.565 1.372 1.00 0.00 H new ATOM 0 HA GLU A 20 2.710 -9.766 0.949 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.841 -11.008 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.593 -12.396 1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.992 -12.431 1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.260 -11.001 2.392 1.00 0.00 H new ATOM 271 N ILE A 21 3.032 -10.860 -1.235 1.00 0.00 N ATOM 272 CA ILE A 21 3.285 -11.506 -2.517 1.00 0.00 C ATOM 273 C ILE A 21 4.526 -12.390 -2.453 1.00 0.00 C ATOM 274 O ILE A 21 5.649 -11.895 -2.370 1.00 0.00 O ATOM 275 CB ILE A 21 3.465 -10.470 -3.643 1.00 0.00 C ATOM 276 CG1 ILE A 21 2.265 -9.522 -3.690 1.00 0.00 C ATOM 277 CG2 ILE A 21 3.646 -11.169 -4.982 1.00 0.00 C ATOM 278 CD1 ILE A 21 0.990 -10.183 -4.163 1.00 0.00 C ATOM 0 H ILE A 21 3.600 -10.031 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 21 2.414 -12.123 -2.736 1.00 0.00 H new ATOM 0 HB ILE A 21 4.360 -9.884 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.102 -9.106 -2.696 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.498 -8.687 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.772 -10.424 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.529 -11.808 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.767 -11.777 -5.197 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.182 -9.451 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 21 1.135 -10.574 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.732 -11.000 -3.490 1.00 0.00 H new ATOM 290 N ASN A 22 4.313 -13.701 -2.493 1.00 0.00 N ATOM 291 CA ASN A 22 5.415 -14.656 -2.440 1.00 0.00 C ATOM 292 C ASN A 22 5.652 -15.289 -3.808 1.00 0.00 C ATOM 293 O ASN A 22 4.866 -16.120 -4.265 1.00 0.00 O ATOM 294 CB ASN A 22 5.125 -15.745 -1.406 1.00 0.00 C ATOM 295 CG ASN A 22 3.669 -16.170 -1.407 1.00 0.00 C ATOM 296 OD1 ASN A 22 3.313 -17.201 -1.979 1.00 0.00 O ATOM 297 ND2 ASN A 22 2.820 -15.376 -0.765 1.00 0.00 N ATOM 0 H ASN A 22 3.389 -14.127 -2.562 1.00 0.00 H new ATOM 0 HA ASN A 22 6.316 -14.117 -2.147 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.754 -16.612 -1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.394 -15.381 -0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.828 -15.611 -0.732 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.160 -14.531 -0.305 1.00 0.00 H new ATOM 304 N LEU A 23 6.741 -14.890 -4.457 1.00 0.00 N ATOM 305 CA LEU A 23 7.083 -15.419 -5.773 1.00 0.00 C ATOM 306 C LEU A 23 8.444 -16.107 -5.747 1.00 0.00 C ATOM 307 O LEU A 23 9.201 -15.975 -4.784 1.00 0.00 O ATOM 308 CB LEU A 23 7.087 -14.295 -6.811 1.00 0.00 C ATOM 309 CG LEU A 23 5.715 -13.784 -7.253 1.00 0.00 C ATOM 310 CD1 LEU A 23 5.850 -12.457 -7.983 1.00 0.00 C ATOM 311 CD2 LEU A 23 5.022 -14.812 -8.134 1.00 0.00 C ATOM 0 H LEU A 23 7.401 -14.203 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 23 6.329 -16.157 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.652 -13.455 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.624 -14.644 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 23 5.104 -13.626 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.864 -12.109 -8.290 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.304 -11.721 -7.319 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.479 -12.588 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.047 -14.432 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.630 -15.003 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.891 -15.740 -7.577 1.00 0.00 H new ATOM 323 N THR A 24 8.751 -16.841 -6.812 1.00 0.00 N ATOM 324 CA THR A 24 10.022 -17.549 -6.911 1.00 0.00 C ATOM 325 C THR A 24 10.888 -16.969 -8.023 1.00 0.00 C ATOM 326 O THR A 24 10.380 -16.531 -9.055 1.00 0.00 O ATOM 327 CB THR A 24 9.808 -19.052 -7.173 1.00 0.00 C ATOM 328 OG1 THR A 24 9.078 -19.639 -6.090 1.00 0.00 O ATOM 329 CG2 THR A 24 11.140 -19.766 -7.339 1.00 0.00 C ATOM 0 H THR A 24 8.137 -16.961 -7.618 1.00 0.00 H new ATOM 0 HA THR A 24 10.530 -17.423 -5.955 1.00 0.00 H new ATOM 0 HB THR A 24 9.238 -19.160 -8.096 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.945 -20.594 -6.265 1.00 0.00 H new ATOM 0 HG21 THR A 24 10.964 -20.826 -7.523 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.681 -19.336 -8.182 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.731 -19.649 -6.431 1.00 0.00 H new ATOM 337 N ARG A 25 12.199 -16.970 -7.806 1.00 0.00 N ATOM 338 CA ARG A 25 13.137 -16.443 -8.790 1.00 0.00 C ATOM 339 C ARG A 25 12.921 -17.098 -10.152 1.00 0.00 C ATOM 340 O ARG A 25 12.811 -18.318 -10.254 1.00 0.00 O ATOM 341 CB ARG A 25 14.577 -16.669 -8.327 1.00 0.00 C ATOM 342 CG ARG A 25 15.610 -15.932 -9.164 1.00 0.00 C ATOM 343 CD ARG A 25 16.940 -16.667 -9.182 1.00 0.00 C ATOM 344 NE ARG A 25 17.701 -16.453 -7.953 1.00 0.00 N ATOM 345 CZ ARG A 25 18.852 -17.059 -7.686 1.00 0.00 C ATOM 346 NH1 ARG A 25 19.373 -17.912 -8.557 1.00 0.00 N ATOM 347 NH2 ARG A 25 19.485 -16.812 -6.547 1.00 0.00 N ATOM 0 H ARG A 25 12.636 -17.330 -6.957 1.00 0.00 H new ATOM 0 HA ARG A 25 12.958 -15.372 -8.888 1.00 0.00 H new ATOM 0 HB2 ARG A 25 14.670 -16.351 -7.289 1.00 0.00 H new ATOM 0 HB3 ARG A 25 14.795 -17.737 -8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 25 15.241 -15.820 -10.184 1.00 0.00 H new ATOM 0 HG3 ARG A 25 15.754 -14.928 -8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 25 16.763 -17.734 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 25 17.528 -16.331 -10.036 1.00 0.00 H new ATOM 0 HE ARG A 25 17.327 -15.802 -7.262 1.00 0.00 H new ATOM 0 HH11 ARG A 25 18.890 -18.104 -9.434 1.00 0.00 H new ATOM 0 HH12 ARG A 25 20.257 -18.376 -8.350 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.088 -16.156 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.369 -17.278 -6.343 1.00 0.00 H new ATOM 361 N GLY A 26 12.860 -16.276 -11.195 1.00 0.00 N ATOM 362 CA GLY A 26 12.657 -16.792 -12.536 1.00 0.00 C ATOM 363 C GLY A 26 13.929 -16.783 -13.360 1.00 0.00 C ATOM 364 O GLY A 26 15.039 -16.799 -12.828 1.00 0.00 O ATOM 0 H GLY A 26 12.948 -15.262 -11.135 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.274 -17.811 -12.476 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.897 -16.195 -13.040 1.00 0.00 H new ATOM 368 N PRO A 27 13.775 -16.758 -14.692 1.00 0.00 N ATOM 369 CA PRO A 27 14.910 -16.748 -15.620 1.00 0.00 C ATOM 370 C PRO A 27 15.675 -15.429 -15.586 1.00 0.00 C ATOM 371 O PRO A 27 16.868 -15.385 -15.882 1.00 0.00 O ATOM 372 CB PRO A 27 14.252 -16.949 -16.988 1.00 0.00 C ATOM 373 CG PRO A 27 12.863 -16.438 -16.819 1.00 0.00 C ATOM 374 CD PRO A 27 12.481 -16.738 -15.396 1.00 0.00 C ATOM 0 HA PRO A 27 15.647 -17.511 -15.370 1.00 0.00 H new ATOM 0 HB2 PRO A 27 14.783 -16.402 -17.767 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.255 -18.000 -17.278 1.00 0.00 H new ATOM 0 HG2 PRO A 27 12.814 -15.368 -17.019 1.00 0.00 H new ATOM 0 HG3 PRO A 27 12.181 -16.924 -17.517 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.814 -15.977 -14.990 1.00 0.00 H new ATOM 0 HD3 PRO A 27 11.963 -17.693 -15.312 1.00 0.00 H new ATOM 382 N SER A 28 14.979 -14.356 -15.221 1.00 0.00 N ATOM 383 CA SER A 28 15.592 -13.035 -15.151 1.00 0.00 C ATOM 384 C SER A 28 15.228 -12.335 -13.846 1.00 0.00 C ATOM 385 O SER A 28 14.313 -11.514 -13.803 1.00 0.00 O ATOM 386 CB SER A 28 15.151 -12.181 -16.342 1.00 0.00 C ATOM 387 OG SER A 28 16.052 -11.110 -16.562 1.00 0.00 O ATOM 0 H SER A 28 13.991 -14.376 -14.969 1.00 0.00 H new ATOM 0 HA SER A 28 16.674 -13.162 -15.185 1.00 0.00 H new ATOM 0 HB2 SER A 28 15.093 -12.801 -17.237 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.151 -11.788 -16.161 1.00 0.00 H new ATOM 0 HG SER A 28 15.749 -10.580 -17.329 1.00 0.00 H new ATOM 393 N GLY A 29 15.951 -12.668 -12.781 1.00 0.00 N ATOM 394 CA GLY A 29 15.689 -12.063 -11.488 1.00 0.00 C ATOM 395 C GLY A 29 14.295 -12.369 -10.976 1.00 0.00 C ATOM 396 O GLY A 29 14.077 -13.387 -10.318 1.00 0.00 O ATOM 0 H GLY A 29 16.713 -13.346 -12.791 1.00 0.00 H new ATOM 0 HA2 GLY A 29 16.424 -12.421 -10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 29 15.816 -10.983 -11.563 1.00 0.00 H new ATOM 400 N LEU A 30 13.350 -11.486 -11.277 1.00 0.00 N ATOM 401 CA LEU A 30 11.969 -11.665 -10.842 1.00 0.00 C ATOM 402 C LEU A 30 11.007 -11.546 -12.019 1.00 0.00 C ATOM 403 O LEU A 30 10.436 -12.538 -12.471 1.00 0.00 O ATOM 404 CB LEU A 30 11.613 -10.633 -9.771 1.00 0.00 C ATOM 405 CG LEU A 30 12.192 -10.883 -8.378 1.00 0.00 C ATOM 406 CD1 LEU A 30 12.141 -9.614 -7.542 1.00 0.00 C ATOM 407 CD2 LEU A 30 11.442 -12.011 -7.684 1.00 0.00 C ATOM 0 H LEU A 30 13.514 -10.639 -11.821 1.00 0.00 H new ATOM 0 HA LEU A 30 11.874 -12.665 -10.420 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.950 -9.654 -10.112 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.527 -10.585 -9.688 1.00 0.00 H new ATOM 0 HG LEU A 30 13.235 -11.179 -8.487 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.557 -9.812 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.723 -8.833 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.106 -9.286 -7.441 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.867 -12.176 -6.694 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.390 -11.743 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.531 -12.924 -8.273 1.00 0.00 H new ATOM 419 N GLY A 31 10.834 -10.324 -12.514 1.00 0.00 N ATOM 420 CA GLY A 31 9.942 -10.097 -13.636 1.00 0.00 C ATOM 421 C GLY A 31 9.200 -8.780 -13.530 1.00 0.00 C ATOM 422 O GLY A 31 8.039 -8.679 -13.929 1.00 0.00 O ATOM 0 H GLY A 31 11.296 -9.487 -12.158 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.517 -10.113 -14.562 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.221 -10.913 -13.694 1.00 0.00 H new ATOM 426 N PHE A 32 9.869 -7.767 -12.990 1.00 0.00 N ATOM 427 CA PHE A 32 9.265 -6.450 -12.830 1.00 0.00 C ATOM 428 C PHE A 32 10.296 -5.433 -12.350 1.00 0.00 C ATOM 429 O PHE A 32 11.263 -5.785 -11.676 1.00 0.00 O ATOM 430 CB PHE A 32 8.099 -6.516 -11.841 1.00 0.00 C ATOM 431 CG PHE A 32 8.510 -6.936 -10.459 1.00 0.00 C ATOM 432 CD1 PHE A 32 8.601 -8.278 -10.126 1.00 0.00 C ATOM 433 CD2 PHE A 32 8.803 -5.989 -9.491 1.00 0.00 C ATOM 434 CE1 PHE A 32 8.979 -8.668 -8.855 1.00 0.00 C ATOM 435 CE2 PHE A 32 9.182 -6.372 -8.219 1.00 0.00 C ATOM 436 CZ PHE A 32 9.268 -7.713 -7.900 1.00 0.00 C ATOM 0 H PHE A 32 10.830 -7.833 -12.656 1.00 0.00 H new ATOM 0 HA PHE A 32 8.890 -6.130 -13.802 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.622 -5.537 -11.788 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.352 -7.215 -12.218 1.00 0.00 H new ATOM 0 HD1 PHE A 32 8.374 -9.028 -10.869 1.00 0.00 H new ATOM 0 HD2 PHE A 32 8.734 -4.939 -9.734 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.048 -9.717 -8.609 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.411 -5.624 -7.475 1.00 0.00 H new ATOM 0 HZ PHE A 32 9.561 -8.014 -6.905 1.00 0.00 H new ATOM 446 N ASN A 33 10.082 -4.170 -12.704 1.00 0.00 N ATOM 447 CA ASN A 33 10.993 -3.101 -12.311 1.00 0.00 C ATOM 448 C ASN A 33 10.442 -2.329 -11.116 1.00 0.00 C ATOM 449 O ASN A 33 9.236 -2.104 -11.012 1.00 0.00 O ATOM 450 CB ASN A 33 11.230 -2.147 -13.483 1.00 0.00 C ATOM 451 CG ASN A 33 12.360 -2.607 -14.383 1.00 0.00 C ATOM 452 OD1 ASN A 33 13.510 -2.707 -13.954 1.00 0.00 O ATOM 453 ND2 ASN A 33 12.038 -2.890 -15.640 1.00 0.00 N ATOM 0 H ASN A 33 9.286 -3.862 -13.262 1.00 0.00 H new ATOM 0 HA ASN A 33 11.942 -3.554 -12.023 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.315 -2.061 -14.069 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.457 -1.153 -13.098 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.757 -3.204 -16.292 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.072 -2.793 -15.953 1.00 0.00 H new ATOM 460 N ILE A 34 11.334 -1.925 -10.217 1.00 0.00 N ATOM 461 CA ILE A 34 10.938 -1.177 -9.031 1.00 0.00 C ATOM 462 C ILE A 34 11.553 0.219 -9.030 1.00 0.00 C ATOM 463 O ILE A 34 12.542 0.473 -9.717 1.00 0.00 O ATOM 464 CB ILE A 34 11.350 -1.908 -7.740 1.00 0.00 C ATOM 465 CG1 ILE A 34 12.869 -2.080 -7.688 1.00 0.00 C ATOM 466 CG2 ILE A 34 10.655 -3.259 -7.652 1.00 0.00 C ATOM 467 CD1 ILE A 34 13.407 -2.283 -6.289 1.00 0.00 C ATOM 0 H ILE A 34 12.336 -2.104 -10.288 1.00 0.00 H new ATOM 0 HA ILE A 34 9.852 -1.093 -9.060 1.00 0.00 H new ATOM 0 HB ILE A 34 11.042 -1.306 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 34 13.151 -2.934 -8.304 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.341 -1.201 -8.126 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.956 -3.764 -6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.575 -3.113 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 34 10.936 -3.869 -8.511 1.00 0.00 H new ATOM 0 HD11 ILE A 34 14.490 -2.398 -6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.156 -1.419 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 34 12.963 -3.179 -5.855 1.00 0.00 H new ATOM 479 N VAL A 35 10.962 1.120 -8.252 1.00 0.00 N ATOM 480 CA VAL A 35 11.454 2.489 -8.158 1.00 0.00 C ATOM 481 C VAL A 35 11.443 2.979 -6.714 1.00 0.00 C ATOM 482 O VAL A 35 10.395 3.025 -6.071 1.00 0.00 O ATOM 483 CB VAL A 35 10.611 3.448 -9.020 1.00 0.00 C ATOM 484 CG1 VAL A 35 10.821 3.160 -10.499 1.00 0.00 C ATOM 485 CG2 VAL A 35 9.139 3.342 -8.651 1.00 0.00 C ATOM 0 H VAL A 35 10.142 0.926 -7.678 1.00 0.00 H new ATOM 0 HA VAL A 35 12.479 2.484 -8.529 1.00 0.00 H new ATOM 0 HB VAL A 35 10.938 4.469 -8.823 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.218 3.847 -11.093 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.874 3.292 -10.750 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.522 2.134 -10.716 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.559 4.026 -9.270 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.795 2.321 -8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.008 3.602 -7.601 1.00 0.00 H new ATOM 495 N GLY A 36 12.618 3.347 -6.211 1.00 0.00 N ATOM 496 CA GLY A 36 12.722 3.829 -4.847 1.00 0.00 C ATOM 497 C GLY A 36 14.095 4.390 -4.533 1.00 0.00 C ATOM 498 O GLY A 36 14.989 4.370 -5.378 1.00 0.00 O ATOM 0 H GLY A 36 13.499 3.320 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.971 4.601 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.500 3.013 -4.159 1.00 0.00 H new ATOM 502 N GLY A 37 14.262 4.894 -3.314 1.00 0.00 N ATOM 503 CA GLY A 37 15.538 5.458 -2.914 1.00 0.00 C ATOM 504 C GLY A 37 15.461 6.952 -2.669 1.00 0.00 C ATOM 505 O GLY A 37 15.196 7.727 -3.589 1.00 0.00 O ATOM 0 H GLY A 37 13.537 4.922 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 37 15.883 4.962 -2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 37 16.279 5.258 -3.688 1.00 0.00 H new ATOM 509 N THR A 38 15.691 7.359 -1.425 1.00 0.00 N ATOM 510 CA THR A 38 15.643 8.770 -1.062 1.00 0.00 C ATOM 511 C THR A 38 16.281 9.637 -2.141 1.00 0.00 C ATOM 512 O THR A 38 15.963 10.820 -2.268 1.00 0.00 O ATOM 513 CB THR A 38 16.358 9.029 0.278 1.00 0.00 C ATOM 514 OG1 THR A 38 17.687 8.497 0.236 1.00 0.00 O ATOM 515 CG2 THR A 38 15.591 8.400 1.431 1.00 0.00 C ATOM 0 H THR A 38 15.912 6.732 -0.652 1.00 0.00 H new ATOM 0 HA THR A 38 14.591 9.036 -0.962 1.00 0.00 H new ATOM 0 HB THR A 38 16.404 10.106 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 38 18.135 8.667 1.091 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.115 8.596 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.590 8.829 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.518 7.324 1.275 1.00 0.00 H new ATOM 523 N ASP A 39 17.182 9.043 -2.915 1.00 0.00 N ATOM 524 CA ASP A 39 17.863 9.762 -3.986 1.00 0.00 C ATOM 525 C ASP A 39 17.069 9.682 -5.286 1.00 0.00 C ATOM 526 O ASP A 39 17.014 10.644 -6.050 1.00 0.00 O ATOM 527 CB ASP A 39 19.268 9.195 -4.196 1.00 0.00 C ATOM 528 CG ASP A 39 20.158 10.133 -4.987 1.00 0.00 C ATOM 529 OD1 ASP A 39 19.622 10.919 -5.796 1.00 0.00 O ATOM 530 OD2 ASP A 39 21.391 10.080 -4.798 1.00 0.00 O ATOM 0 H ASP A 39 17.458 8.066 -2.821 1.00 0.00 H new ATOM 0 HA ASP A 39 17.942 10.809 -3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.725 8.996 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 39 19.197 8.240 -4.717 1.00 0.00 H new ATOM 535 N GLN A 40 16.456 8.527 -5.529 1.00 0.00 N ATOM 536 CA GLN A 40 15.667 8.322 -6.737 1.00 0.00 C ATOM 537 C GLN A 40 14.180 8.241 -6.409 1.00 0.00 C ATOM 538 O GLN A 40 13.407 7.619 -7.137 1.00 0.00 O ATOM 539 CB GLN A 40 16.113 7.045 -7.452 1.00 0.00 C ATOM 540 CG GLN A 40 17.592 7.030 -7.804 1.00 0.00 C ATOM 541 CD GLN A 40 17.879 7.673 -9.146 1.00 0.00 C ATOM 542 OE1 GLN A 40 17.010 8.311 -9.740 1.00 0.00 O ATOM 543 NE2 GLN A 40 19.105 7.510 -9.631 1.00 0.00 N ATOM 0 H GLN A 40 16.491 7.720 -4.906 1.00 0.00 H new ATOM 0 HA GLN A 40 15.829 9.175 -7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.890 6.187 -6.818 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.529 6.927 -8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 40 18.152 7.552 -7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.948 6.000 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 40 19.794 6.973 -9.105 1.00 0.00 H new ATOM 0 HE22 GLN A 40 19.357 7.922 -10.530 1.00 0.00 H new ATOM 552 N GLN A 41 13.787 8.875 -5.308 1.00 0.00 N ATOM 553 CA GLN A 41 12.392 8.874 -4.884 1.00 0.00 C ATOM 554 C GLN A 41 11.461 9.092 -6.072 1.00 0.00 C ATOM 555 O GLN A 41 11.394 10.189 -6.628 1.00 0.00 O ATOM 556 CB GLN A 41 12.156 9.958 -3.830 1.00 0.00 C ATOM 557 CG GLN A 41 13.062 9.833 -2.616 1.00 0.00 C ATOM 558 CD GLN A 41 12.823 10.927 -1.595 1.00 0.00 C ATOM 559 OE1 GLN A 41 13.766 11.543 -1.096 1.00 0.00 O ATOM 560 NE2 GLN A 41 11.558 11.176 -1.278 1.00 0.00 N ATOM 0 H GLN A 41 14.414 9.395 -4.695 1.00 0.00 H new ATOM 0 HA GLN A 41 12.172 7.899 -4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.307 10.936 -4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 41 11.117 9.916 -3.504 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.903 8.862 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.103 9.864 -2.939 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.808 10.641 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.336 11.902 -0.597 1.00 0.00 H new ATOM 569 N TYR A 42 10.744 8.042 -6.456 1.00 0.00 N ATOM 570 CA TYR A 42 9.819 8.118 -7.581 1.00 0.00 C ATOM 571 C TYR A 42 8.905 9.333 -7.453 1.00 0.00 C ATOM 572 O TYR A 42 8.300 9.775 -8.430 1.00 0.00 O ATOM 573 CB TYR A 42 8.980 6.842 -7.665 1.00 0.00 C ATOM 574 CG TYR A 42 8.169 6.734 -8.937 1.00 0.00 C ATOM 575 CD1 TYR A 42 8.767 6.370 -10.137 1.00 0.00 C ATOM 576 CD2 TYR A 42 6.804 6.994 -8.938 1.00 0.00 C ATOM 577 CE1 TYR A 42 8.030 6.270 -11.301 1.00 0.00 C ATOM 578 CE2 TYR A 42 6.059 6.896 -10.097 1.00 0.00 C ATOM 579 CZ TYR A 42 6.676 6.534 -11.276 1.00 0.00 C ATOM 580 OH TYR A 42 5.938 6.435 -12.433 1.00 0.00 O ATOM 0 H TYR A 42 10.785 7.128 -6.005 1.00 0.00 H new ATOM 0 HA TYR A 42 10.405 8.221 -8.494 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.640 5.978 -7.590 1.00 0.00 H new ATOM 0 HB3 TYR A 42 8.306 6.803 -6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.826 6.162 -10.160 1.00 0.00 H new ATOM 0 HD2 TYR A 42 6.317 7.278 -8.017 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.511 5.987 -12.226 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.999 7.102 -10.080 1.00 0.00 H new ATOM 0 HH TYR A 42 5.001 6.652 -12.243 1.00 0.00 H new ATOM 590 N VAL A 43 8.811 9.870 -6.240 1.00 0.00 N ATOM 591 CA VAL A 43 7.973 11.035 -5.983 1.00 0.00 C ATOM 592 C VAL A 43 8.606 11.946 -4.937 1.00 0.00 C ATOM 593 O VAL A 43 9.591 11.582 -4.296 1.00 0.00 O ATOM 594 CB VAL A 43 6.568 10.622 -5.505 1.00 0.00 C ATOM 595 CG1 VAL A 43 5.556 11.713 -5.817 1.00 0.00 C ATOM 596 CG2 VAL A 43 6.156 9.303 -6.142 1.00 0.00 C ATOM 0 H VAL A 43 9.305 9.517 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 43 7.883 11.575 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 43 6.596 10.485 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.569 11.404 -5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.845 12.633 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.527 11.885 -6.893 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.161 9.026 -5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.144 9.411 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.868 8.526 -5.863 1.00 0.00 H new ATOM 606 N SER A 44 8.033 13.134 -4.771 1.00 0.00 N ATOM 607 CA SER A 44 8.542 14.100 -3.805 1.00 0.00 C ATOM 608 C SER A 44 8.085 13.749 -2.392 1.00 0.00 C ATOM 609 O SER A 44 8.802 13.981 -1.420 1.00 0.00 O ATOM 610 CB SER A 44 8.076 15.511 -4.168 1.00 0.00 C ATOM 611 OG SER A 44 8.988 16.137 -5.054 1.00 0.00 O ATOM 0 H SER A 44 7.216 13.450 -5.293 1.00 0.00 H new ATOM 0 HA SER A 44 9.631 14.066 -3.835 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.090 15.464 -4.630 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.976 16.109 -3.262 1.00 0.00 H new ATOM 0 HG SER A 44 8.667 17.037 -5.272 1.00 0.00 H new ATOM 617 N ASN A 45 6.884 13.188 -2.288 1.00 0.00 N ATOM 618 CA ASN A 45 6.329 12.805 -0.995 1.00 0.00 C ATOM 619 C ASN A 45 6.412 11.295 -0.793 1.00 0.00 C ATOM 620 O ASN A 45 5.926 10.765 0.205 1.00 0.00 O ATOM 621 CB ASN A 45 4.874 13.267 -0.885 1.00 0.00 C ATOM 622 CG ASN A 45 4.370 13.251 0.546 1.00 0.00 C ATOM 623 OD1 ASN A 45 4.819 14.035 1.382 1.00 0.00 O ATOM 624 ND2 ASN A 45 3.432 12.356 0.832 1.00 0.00 N ATOM 0 H ASN A 45 6.277 12.989 -3.083 1.00 0.00 H new ATOM 0 HA ASN A 45 6.917 13.290 -0.216 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.784 14.276 -1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 45 4.243 12.622 -1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.054 12.298 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 45 3.090 11.726 0.106 1.00 0.00 H new ATOM 631 N ASP A 46 7.032 10.610 -1.747 1.00 0.00 N ATOM 632 CA ASP A 46 7.181 9.161 -1.674 1.00 0.00 C ATOM 633 C ASP A 46 8.617 8.746 -1.979 1.00 0.00 C ATOM 634 O ASP A 46 9.152 9.063 -3.041 1.00 0.00 O ATOM 635 CB ASP A 46 6.221 8.478 -2.650 1.00 0.00 C ATOM 636 CG ASP A 46 4.845 9.114 -2.649 1.00 0.00 C ATOM 637 OD1 ASP A 46 4.755 10.335 -2.895 1.00 0.00 O ATOM 638 OD2 ASP A 46 3.857 8.390 -2.402 1.00 0.00 O ATOM 0 H ASP A 46 7.440 11.034 -2.580 1.00 0.00 H new ATOM 0 HA ASP A 46 6.939 8.847 -0.659 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.638 8.522 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.131 7.424 -2.389 1.00 0.00 H new ATOM 643 N SER A 47 9.235 8.037 -1.040 1.00 0.00 N ATOM 644 CA SER A 47 10.610 7.582 -1.207 1.00 0.00 C ATOM 645 C SER A 47 10.684 6.059 -1.195 1.00 0.00 C ATOM 646 O SER A 47 11.669 5.470 -1.640 1.00 0.00 O ATOM 647 CB SER A 47 11.496 8.156 -0.099 1.00 0.00 C ATOM 648 OG SER A 47 12.567 7.278 0.203 1.00 0.00 O ATOM 0 H SER A 47 8.805 7.765 -0.156 1.00 0.00 H new ATOM 0 HA SER A 47 10.970 7.937 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.891 9.123 -0.409 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.899 8.328 0.796 1.00 0.00 H new ATOM 0 HG SER A 47 12.922 7.489 1.092 1.00 0.00 H new ATOM 654 N GLY A 48 9.634 5.425 -0.682 1.00 0.00 N ATOM 655 CA GLY A 48 9.599 3.975 -0.621 1.00 0.00 C ATOM 656 C GLY A 48 9.863 3.332 -1.968 1.00 0.00 C ATOM 657 O GLY A 48 10.261 4.006 -2.918 1.00 0.00 O ATOM 0 H GLY A 48 8.807 5.890 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.342 3.626 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.625 3.653 -0.253 1.00 0.00 H new ATOM 661 N ILE A 49 9.642 2.024 -2.050 1.00 0.00 N ATOM 662 CA ILE A 49 9.858 1.290 -3.291 1.00 0.00 C ATOM 663 C ILE A 49 8.534 0.940 -3.961 1.00 0.00 C ATOM 664 O ILE A 49 7.654 0.338 -3.345 1.00 0.00 O ATOM 665 CB ILE A 49 10.655 -0.005 -3.046 1.00 0.00 C ATOM 666 CG1 ILE A 49 11.685 0.206 -1.934 1.00 0.00 C ATOM 667 CG2 ILE A 49 11.338 -0.456 -4.329 1.00 0.00 C ATOM 668 CD1 ILE A 49 12.591 1.394 -2.168 1.00 0.00 C ATOM 0 H ILE A 49 9.314 1.451 -1.272 1.00 0.00 H new ATOM 0 HA ILE A 49 10.433 1.943 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 49 9.963 -0.786 -2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.163 0.339 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 49 12.295 -0.693 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.898 -1.372 -4.141 1.00 0.00 H new ATOM 0 HG22 ILE A 49 10.586 -0.641 -5.096 1.00 0.00 H new ATOM 0 HG23 ILE A 49 12.021 0.322 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 49 13.295 1.483 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 49 13.140 1.255 -3.099 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.991 2.302 -2.233 1.00 0.00 H new ATOM 680 N TYR A 50 8.400 1.320 -5.227 1.00 0.00 N ATOM 681 CA TYR A 50 7.183 1.047 -5.982 1.00 0.00 C ATOM 682 C TYR A 50 7.487 0.217 -7.225 1.00 0.00 C ATOM 683 O TYR A 50 8.630 -0.177 -7.458 1.00 0.00 O ATOM 684 CB TYR A 50 6.502 2.357 -6.383 1.00 0.00 C ATOM 685 CG TYR A 50 6.084 3.208 -5.205 1.00 0.00 C ATOM 686 CD1 TYR A 50 7.023 3.924 -4.472 1.00 0.00 C ATOM 687 CD2 TYR A 50 4.750 3.297 -4.826 1.00 0.00 C ATOM 688 CE1 TYR A 50 6.646 4.702 -3.395 1.00 0.00 C ATOM 689 CE2 TYR A 50 4.364 4.074 -3.751 1.00 0.00 C ATOM 690 CZ TYR A 50 5.315 4.774 -3.039 1.00 0.00 C ATOM 691 OH TYR A 50 4.935 5.550 -1.967 1.00 0.00 O ATOM 0 H TYR A 50 9.119 1.818 -5.752 1.00 0.00 H new ATOM 0 HA TYR A 50 6.510 0.476 -5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.181 2.932 -7.013 1.00 0.00 H new ATOM 0 HB3 TYR A 50 5.623 2.130 -6.986 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.065 3.871 -4.749 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.003 2.750 -5.381 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.389 5.251 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.323 4.133 -3.470 1.00 0.00 H new ATOM 0 HH TYR A 50 3.964 5.493 -1.850 1.00 0.00 H new ATOM 701 N VAL A 51 6.455 -0.044 -8.021 1.00 0.00 N ATOM 702 CA VAL A 51 6.611 -0.825 -9.242 1.00 0.00 C ATOM 703 C VAL A 51 6.465 0.054 -10.480 1.00 0.00 C ATOM 704 O VAL A 51 5.400 0.616 -10.732 1.00 0.00 O ATOM 705 CB VAL A 51 5.579 -1.967 -9.313 1.00 0.00 C ATOM 706 CG1 VAL A 51 5.825 -2.833 -10.539 1.00 0.00 C ATOM 707 CG2 VAL A 51 5.622 -2.803 -8.043 1.00 0.00 C ATOM 0 H VAL A 51 5.502 0.274 -7.842 1.00 0.00 H new ATOM 0 HA VAL A 51 7.614 -1.251 -9.219 1.00 0.00 H new ATOM 0 HB VAL A 51 4.584 -1.530 -9.400 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.087 -3.634 -10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.740 -2.223 -11.438 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.825 -3.263 -10.486 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.887 -3.605 -8.110 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.617 -3.232 -7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.393 -2.172 -7.184 1.00 0.00 H new ATOM 717 N SER A 52 7.543 0.167 -11.249 1.00 0.00 N ATOM 718 CA SER A 52 7.537 0.980 -12.459 1.00 0.00 C ATOM 719 C SER A 52 6.805 0.265 -13.590 1.00 0.00 C ATOM 720 O SER A 52 5.814 0.769 -14.119 1.00 0.00 O ATOM 721 CB SER A 52 8.969 1.305 -12.888 1.00 0.00 C ATOM 722 OG SER A 52 9.030 1.613 -14.270 1.00 0.00 O ATOM 0 H SER A 52 8.432 -0.294 -11.055 1.00 0.00 H new ATOM 0 HA SER A 52 7.011 1.909 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.343 2.148 -12.307 1.00 0.00 H new ATOM 0 HB3 SER A 52 9.618 0.456 -12.672 1.00 0.00 H new ATOM 0 HG SER A 52 9.955 1.818 -14.519 1.00 0.00 H new ATOM 728 N ARG A 53 7.300 -0.912 -13.956 1.00 0.00 N ATOM 729 CA ARG A 53 6.695 -1.697 -15.026 1.00 0.00 C ATOM 730 C ARG A 53 6.858 -3.191 -14.763 1.00 0.00 C ATOM 731 O ARG A 53 7.936 -3.651 -14.386 1.00 0.00 O ATOM 732 CB ARG A 53 7.323 -1.334 -16.372 1.00 0.00 C ATOM 733 CG ARG A 53 6.415 -1.603 -17.561 1.00 0.00 C ATOM 734 CD ARG A 53 5.398 -0.489 -17.749 1.00 0.00 C ATOM 735 NE ARG A 53 4.391 -0.830 -18.749 1.00 0.00 N ATOM 736 CZ ARG A 53 3.602 0.065 -19.334 1.00 0.00 C ATOM 737 NH1 ARG A 53 3.705 1.349 -19.019 1.00 0.00 N ATOM 738 NH2 ARG A 53 2.710 -0.323 -20.235 1.00 0.00 N ATOM 0 H ARG A 53 8.119 -1.344 -13.528 1.00 0.00 H new ATOM 0 HA ARG A 53 5.630 -1.465 -15.055 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.594 -0.278 -16.364 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.247 -1.899 -16.496 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.017 -1.704 -18.464 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.896 -2.550 -17.417 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.908 -0.281 -16.798 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.912 0.424 -18.049 1.00 0.00 H new ATOM 0 HE ARG A 53 4.287 -1.810 -19.013 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.391 1.651 -18.327 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.099 2.035 -19.469 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.629 -1.310 -20.480 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.105 0.365 -20.683 1.00 0.00 H new ATOM 752 N ILE A 54 5.781 -3.943 -14.962 1.00 0.00 N ATOM 753 CA ILE A 54 5.805 -5.384 -14.747 1.00 0.00 C ATOM 754 C ILE A 54 5.880 -6.136 -16.072 1.00 0.00 C ATOM 755 O ILE A 54 5.000 -6.006 -16.924 1.00 0.00 O ATOM 756 CB ILE A 54 4.562 -5.858 -13.971 1.00 0.00 C ATOM 757 CG1 ILE A 54 4.625 -5.374 -12.521 1.00 0.00 C ATOM 758 CG2 ILE A 54 4.451 -7.375 -14.024 1.00 0.00 C ATOM 759 CD1 ILE A 54 3.424 -5.780 -11.695 1.00 0.00 C ATOM 0 H ILE A 54 4.880 -3.578 -15.272 1.00 0.00 H new ATOM 0 HA ILE A 54 6.696 -5.600 -14.158 1.00 0.00 H new ATOM 0 HB ILE A 54 3.675 -5.432 -14.439 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.527 -5.769 -12.054 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.711 -4.287 -12.513 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.568 -7.695 -13.471 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.366 -7.698 -15.062 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.340 -7.821 -13.577 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.537 -5.403 -10.679 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.520 -5.363 -12.138 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.349 -6.867 -11.672 1.00 0.00 H new ATOM 771 N LYS A 55 6.936 -6.926 -16.238 1.00 0.00 N ATOM 772 CA LYS A 55 7.126 -7.703 -17.457 1.00 0.00 C ATOM 773 C LYS A 55 5.948 -8.643 -17.693 1.00 0.00 C ATOM 774 O LYS A 55 5.286 -9.070 -16.748 1.00 0.00 O ATOM 775 CB LYS A 55 8.426 -8.507 -17.377 1.00 0.00 C ATOM 776 CG LYS A 55 9.675 -7.664 -17.569 1.00 0.00 C ATOM 777 CD LYS A 55 10.799 -8.470 -18.198 1.00 0.00 C ATOM 778 CE LYS A 55 11.547 -9.289 -17.158 1.00 0.00 C ATOM 779 NZ LYS A 55 12.487 -8.451 -16.364 1.00 0.00 N ATOM 0 H LYS A 55 7.673 -7.045 -15.543 1.00 0.00 H new ATOM 0 HA LYS A 55 7.187 -7.008 -18.295 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.478 -9.003 -16.408 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.406 -9.290 -18.135 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.443 -6.807 -18.201 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.002 -7.271 -16.606 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.390 -9.134 -18.960 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.493 -7.797 -18.701 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.832 -9.766 -16.488 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.101 -10.086 -17.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.038 -9.058 -15.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.132 -7.949 -17.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.948 -7.759 -15.805 1.00 0.00 H new ATOM 793 N GLU A 56 5.695 -8.961 -18.958 1.00 0.00 N ATOM 794 CA GLU A 56 4.597 -9.852 -19.316 1.00 0.00 C ATOM 795 C GLU A 56 5.015 -11.313 -19.181 1.00 0.00 C ATOM 796 O GLU A 56 4.193 -12.180 -18.888 1.00 0.00 O ATOM 797 CB GLU A 56 4.130 -9.574 -20.746 1.00 0.00 C ATOM 798 CG GLU A 56 5.183 -9.875 -21.799 1.00 0.00 C ATOM 799 CD GLU A 56 4.914 -9.168 -23.113 1.00 0.00 C ATOM 800 OE1 GLU A 56 3.781 -9.279 -23.626 1.00 0.00 O ATOM 801 OE2 GLU A 56 5.837 -8.502 -23.628 1.00 0.00 O ATOM 0 H GLU A 56 6.234 -8.616 -19.752 1.00 0.00 H new ATOM 0 HA GLU A 56 3.772 -9.663 -18.629 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.241 -10.171 -20.952 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.836 -8.527 -20.826 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.162 -9.576 -21.424 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.222 -10.951 -21.971 1.00 0.00 H new ATOM 808 N ASN A 57 6.300 -11.577 -19.397 1.00 0.00 N ATOM 809 CA ASN A 57 6.828 -12.933 -19.301 1.00 0.00 C ATOM 810 C ASN A 57 7.671 -13.100 -18.040 1.00 0.00 C ATOM 811 O ASN A 57 8.748 -13.694 -18.075 1.00 0.00 O ATOM 812 CB ASN A 57 7.668 -13.264 -20.537 1.00 0.00 C ATOM 813 CG ASN A 57 6.821 -13.422 -21.785 1.00 0.00 C ATOM 814 OD1 ASN A 57 5.901 -14.238 -21.826 1.00 0.00 O ATOM 815 ND2 ASN A 57 7.131 -12.638 -22.812 1.00 0.00 N ATOM 0 H ASN A 57 6.994 -10.870 -19.639 1.00 0.00 H new ATOM 0 HA ASN A 57 5.985 -13.622 -19.247 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.402 -12.474 -20.697 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.224 -14.185 -20.359 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.597 -12.699 -23.679 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.902 -11.975 -22.733 1.00 0.00 H new ATOM 822 N GLY A 58 7.171 -12.572 -16.927 1.00 0.00 N ATOM 823 CA GLY A 58 7.890 -12.674 -15.670 1.00 0.00 C ATOM 824 C GLY A 58 7.119 -13.452 -14.622 1.00 0.00 C ATOM 825 O GLY A 58 5.897 -13.573 -14.704 1.00 0.00 O ATOM 0 H GLY A 58 6.282 -12.076 -16.873 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.851 -13.158 -15.843 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.100 -11.673 -15.293 1.00 0.00 H new ATOM 829 N ALA A 59 7.834 -13.983 -13.636 1.00 0.00 N ATOM 830 CA ALA A 59 7.209 -14.753 -12.568 1.00 0.00 C ATOM 831 C ALA A 59 5.979 -14.036 -12.022 1.00 0.00 C ATOM 832 O ALA A 59 4.974 -14.668 -11.698 1.00 0.00 O ATOM 833 CB ALA A 59 8.209 -15.014 -11.451 1.00 0.00 C ATOM 0 H ALA A 59 8.847 -13.894 -13.555 1.00 0.00 H new ATOM 0 HA ALA A 59 6.886 -15.708 -12.983 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.729 -15.590 -10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.056 -15.575 -11.845 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.559 -14.064 -11.047 1.00 0.00 H new ATOM 839 N ALA A 60 6.066 -12.714 -11.922 1.00 0.00 N ATOM 840 CA ALA A 60 4.959 -11.911 -11.417 1.00 0.00 C ATOM 841 C ALA A 60 3.775 -11.942 -12.378 1.00 0.00 C ATOM 842 O ALA A 60 2.625 -12.061 -11.957 1.00 0.00 O ATOM 843 CB ALA A 60 5.411 -10.478 -11.179 1.00 0.00 C ATOM 0 H ALA A 60 6.892 -12.176 -12.184 1.00 0.00 H new ATOM 0 HA ALA A 60 4.635 -12.340 -10.469 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.574 -9.890 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.220 -10.468 -10.448 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.764 -10.047 -12.116 1.00 0.00 H new ATOM 849 N ALA A 61 4.065 -11.832 -13.670 1.00 0.00 N ATOM 850 CA ALA A 61 3.024 -11.848 -14.691 1.00 0.00 C ATOM 851 C ALA A 61 2.316 -13.198 -14.731 1.00 0.00 C ATOM 852 O ALA A 61 1.113 -13.287 -14.484 1.00 0.00 O ATOM 853 CB ALA A 61 3.616 -11.520 -16.053 1.00 0.00 C ATOM 0 H ALA A 61 5.012 -11.731 -14.035 1.00 0.00 H new ATOM 0 HA ALA A 61 2.286 -11.087 -14.435 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.828 -11.536 -16.806 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.070 -10.530 -16.023 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.375 -12.260 -16.307 1.00 0.00 H new ATOM 859 N LEU A 62 3.069 -14.247 -15.044 1.00 0.00 N ATOM 860 CA LEU A 62 2.512 -15.594 -15.118 1.00 0.00 C ATOM 861 C LEU A 62 1.590 -15.867 -13.934 1.00 0.00 C ATOM 862 O LEU A 62 0.448 -16.292 -14.110 1.00 0.00 O ATOM 863 CB LEU A 62 3.637 -16.630 -15.153 1.00 0.00 C ATOM 864 CG LEU A 62 4.592 -16.544 -16.344 1.00 0.00 C ATOM 865 CD1 LEU A 62 5.818 -17.413 -16.109 1.00 0.00 C ATOM 866 CD2 LEU A 62 3.884 -16.954 -17.626 1.00 0.00 C ATOM 0 H LEU A 62 4.066 -14.191 -15.251 1.00 0.00 H new ATOM 0 HA LEU A 62 1.928 -15.670 -16.035 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.221 -16.534 -14.237 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.189 -17.624 -15.143 1.00 0.00 H new ATOM 0 HG LEU A 62 4.920 -15.510 -16.448 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.486 -17.339 -16.967 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.338 -17.073 -15.213 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.509 -18.450 -15.978 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.579 -16.887 -18.463 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.527 -17.980 -17.532 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.038 -16.290 -17.803 1.00 0.00 H new ATOM 878 N ASP A 63 2.092 -15.618 -12.730 1.00 0.00 N ATOM 879 CA ASP A 63 1.312 -15.834 -11.517 1.00 0.00 C ATOM 880 C ASP A 63 0.227 -14.772 -11.372 1.00 0.00 C ATOM 881 O ASP A 63 -0.867 -15.051 -10.882 1.00 0.00 O ATOM 882 CB ASP A 63 2.225 -15.819 -10.289 1.00 0.00 C ATOM 883 CG ASP A 63 3.004 -17.110 -10.130 1.00 0.00 C ATOM 884 OD1 ASP A 63 3.525 -17.617 -11.146 1.00 0.00 O ATOM 885 OD2 ASP A 63 3.093 -17.612 -8.991 1.00 0.00 O ATOM 0 H ASP A 63 3.036 -15.266 -12.568 1.00 0.00 H new ATOM 0 HA ASP A 63 0.832 -16.810 -11.592 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.922 -14.985 -10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.624 -15.648 -9.396 1.00 0.00 H new ATOM 890 N GLY A 64 0.538 -13.553 -11.802 1.00 0.00 N ATOM 891 CA GLY A 64 -0.421 -12.467 -11.710 1.00 0.00 C ATOM 892 C GLY A 64 -0.677 -12.039 -10.279 1.00 0.00 C ATOM 893 O GLY A 64 -1.809 -11.726 -9.911 1.00 0.00 O ATOM 0 H GLY A 64 1.436 -13.298 -12.212 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.055 -11.614 -12.281 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -1.361 -12.777 -12.167 1.00 0.00 H new ATOM 897 N ARG A 65 0.377 -12.025 -9.470 1.00 0.00 N ATOM 898 CA ARG A 65 0.260 -11.635 -8.070 1.00 0.00 C ATOM 899 C ARG A 65 0.534 -10.143 -7.897 1.00 0.00 C ATOM 900 O ARG A 65 -0.338 -9.388 -7.464 1.00 0.00 O ATOM 901 CB ARG A 65 1.232 -12.445 -7.210 1.00 0.00 C ATOM 902 CG ARG A 65 1.311 -13.912 -7.598 1.00 0.00 C ATOM 903 CD ARG A 65 1.643 -14.788 -6.400 1.00 0.00 C ATOM 904 NE ARG A 65 0.716 -14.574 -5.292 1.00 0.00 N ATOM 905 CZ ARG A 65 0.774 -15.243 -4.145 1.00 0.00 C ATOM 906 NH1 ARG A 65 1.710 -16.163 -3.958 1.00 0.00 N ATOM 907 NH2 ARG A 65 -0.105 -14.991 -3.184 1.00 0.00 N ATOM 0 H ARG A 65 1.321 -12.279 -9.760 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.760 -11.840 -7.745 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.226 -12.004 -7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.929 -12.370 -6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.361 -14.227 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.070 -14.045 -8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 65 1.615 -15.836 -6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.660 -14.578 -6.068 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.016 -13.873 -5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.387 -16.359 -4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.753 -16.675 -3.077 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.826 -14.283 -3.325 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.060 -15.505 -2.304 1.00 0.00 H new ATOM 921 N LEU A 66 1.748 -9.726 -8.238 1.00 0.00 N ATOM 922 CA LEU A 66 2.137 -8.325 -8.120 1.00 0.00 C ATOM 923 C LEU A 66 1.584 -7.507 -9.283 1.00 0.00 C ATOM 924 O LEU A 66 1.573 -7.965 -10.426 1.00 0.00 O ATOM 925 CB LEU A 66 3.661 -8.200 -8.072 1.00 0.00 C ATOM 926 CG LEU A 66 4.210 -6.825 -7.692 1.00 0.00 C ATOM 927 CD1 LEU A 66 3.979 -6.549 -6.214 1.00 0.00 C ATOM 928 CD2 LEU A 66 5.691 -6.730 -8.029 1.00 0.00 C ATOM 0 H LEU A 66 2.480 -10.338 -8.598 1.00 0.00 H new ATOM 0 HA LEU A 66 1.718 -7.934 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 66 4.043 -8.931 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.059 -8.470 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 66 3.678 -6.070 -8.270 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.376 -5.566 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.910 -6.574 -6.002 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.485 -7.309 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.065 -5.744 -7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.239 -7.494 -7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.831 -6.883 -9.099 1.00 0.00 H new ATOM 940 N GLN A 67 1.129 -6.295 -8.984 1.00 0.00 N ATOM 941 CA GLN A 67 0.577 -5.413 -10.006 1.00 0.00 C ATOM 942 C GLN A 67 1.233 -4.037 -9.950 1.00 0.00 C ATOM 943 O GLN A 67 1.491 -3.507 -8.870 1.00 0.00 O ATOM 944 CB GLN A 67 -0.936 -5.277 -9.829 1.00 0.00 C ATOM 945 CG GLN A 67 -1.338 -4.614 -8.521 1.00 0.00 C ATOM 946 CD GLN A 67 -2.832 -4.375 -8.424 1.00 0.00 C ATOM 947 OE1 GLN A 67 -3.512 -4.958 -7.579 1.00 0.00 O ATOM 948 NE2 GLN A 67 -3.352 -3.513 -9.290 1.00 0.00 N ATOM 0 H GLN A 67 1.131 -5.901 -8.043 1.00 0.00 H new ATOM 0 HA GLN A 67 0.784 -5.854 -10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.340 -4.698 -10.659 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.390 -6.267 -9.880 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.019 -5.240 -7.688 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.814 -3.663 -8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.752 -3.052 -9.974 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.352 -3.312 -9.271 1.00 0.00 H new ATOM 957 N GLU A 68 1.500 -3.466 -11.120 1.00 0.00 N ATOM 958 CA GLU A 68 2.128 -2.152 -11.203 1.00 0.00 C ATOM 959 C GLU A 68 1.510 -1.190 -10.192 1.00 0.00 C ATOM 960 O GLU A 68 0.412 -1.422 -9.689 1.00 0.00 O ATOM 961 CB GLU A 68 1.987 -1.584 -12.616 1.00 0.00 C ATOM 962 CG GLU A 68 3.074 -2.049 -13.570 1.00 0.00 C ATOM 963 CD GLU A 68 2.807 -1.637 -15.005 1.00 0.00 C ATOM 964 OE1 GLU A 68 2.703 -0.420 -15.264 1.00 0.00 O ATOM 965 OE2 GLU A 68 2.701 -2.533 -15.869 1.00 0.00 O ATOM 0 H GLU A 68 1.292 -3.892 -12.023 1.00 0.00 H new ATOM 0 HA GLU A 68 3.186 -2.267 -10.970 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.015 -1.870 -13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.002 -0.495 -12.564 1.00 0.00 H new ATOM 0 HG2 GLU A 68 4.032 -1.639 -13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.158 -3.134 -13.517 1.00 0.00 H new ATOM 972 N GLY A 69 2.227 -0.109 -9.899 1.00 0.00 N ATOM 973 CA GLY A 69 1.735 0.872 -8.949 1.00 0.00 C ATOM 974 C GLY A 69 1.727 0.348 -7.526 1.00 0.00 C ATOM 975 O GLY A 69 1.184 0.988 -6.626 1.00 0.00 O ATOM 0 H GLY A 69 3.139 0.105 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.356 1.766 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.724 1.169 -9.229 1.00 0.00 H new ATOM 979 N ASP A 70 2.330 -0.818 -7.324 1.00 0.00 N ATOM 980 CA ASP A 70 2.390 -1.428 -6.000 1.00 0.00 C ATOM 981 C ASP A 70 3.538 -0.842 -5.183 1.00 0.00 C ATOM 982 O ASP A 70 4.597 -0.519 -5.723 1.00 0.00 O ATOM 983 CB ASP A 70 2.555 -2.943 -6.121 1.00 0.00 C ATOM 984 CG ASP A 70 1.231 -3.657 -6.310 1.00 0.00 C ATOM 985 OD1 ASP A 70 0.179 -2.993 -6.202 1.00 0.00 O ATOM 986 OD2 ASP A 70 1.246 -4.879 -6.565 1.00 0.00 O ATOM 0 H ASP A 70 2.784 -1.360 -8.059 1.00 0.00 H new ATOM 0 HA ASP A 70 1.454 -1.212 -5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.209 -3.168 -6.963 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.046 -3.325 -5.226 1.00 0.00 H new ATOM 991 N LYS A 71 3.320 -0.706 -3.880 1.00 0.00 N ATOM 992 CA LYS A 71 4.335 -0.159 -2.987 1.00 0.00 C ATOM 993 C LYS A 71 4.843 -1.226 -2.023 1.00 0.00 C ATOM 994 O LYS A 71 4.147 -1.606 -1.081 1.00 0.00 O ATOM 995 CB LYS A 71 3.768 1.026 -2.202 1.00 0.00 C ATOM 996 CG LYS A 71 4.834 1.882 -1.540 1.00 0.00 C ATOM 997 CD LYS A 71 5.478 1.163 -0.366 1.00 0.00 C ATOM 998 CE LYS A 71 6.061 2.145 0.638 1.00 0.00 C ATOM 999 NZ LYS A 71 6.925 1.465 1.642 1.00 0.00 N ATOM 0 H LYS A 71 2.449 -0.967 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 71 5.172 0.184 -3.595 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.180 1.649 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.087 0.652 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.599 2.143 -2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.390 2.816 -1.196 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.737 0.534 0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.265 0.503 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.643 2.901 0.111 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.251 2.666 1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.679 2.113 1.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.351 1.190 2.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.350 0.616 1.217 1.00 0.00 H new ATOM 1013 N ILE A 72 6.060 -1.703 -2.263 1.00 0.00 N ATOM 1014 CA ILE A 72 6.660 -2.724 -1.413 1.00 0.00 C ATOM 1015 C ILE A 72 7.106 -2.136 -0.079 1.00 0.00 C ATOM 1016 O ILE A 72 8.113 -1.430 -0.004 1.00 0.00 O ATOM 1017 CB ILE A 72 7.870 -3.387 -2.099 1.00 0.00 C ATOM 1018 CG1 ILE A 72 7.440 -4.051 -3.409 1.00 0.00 C ATOM 1019 CG2 ILE A 72 8.514 -4.404 -1.169 1.00 0.00 C ATOM 1020 CD1 ILE A 72 8.580 -4.268 -4.379 1.00 0.00 C ATOM 0 H ILE A 72 6.649 -1.399 -3.038 1.00 0.00 H new ATOM 0 HA ILE A 72 5.893 -3.479 -1.237 1.00 0.00 H new ATOM 0 HB ILE A 72 8.606 -2.617 -2.329 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.976 -5.012 -3.185 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.679 -3.434 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 72 9.367 -4.864 -1.668 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.851 -3.904 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 72 7.786 -5.174 -0.911 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.202 -4.742 -5.285 1.00 0.00 H new ATOM 0 HD12 ILE A 72 9.030 -3.308 -4.633 1.00 0.00 H new ATOM 0 HD13 ILE A 72 9.331 -4.910 -3.920 1.00 0.00 H new ATOM 1032 N LEU A 73 6.352 -2.433 0.974 1.00 0.00 N ATOM 1033 CA LEU A 73 6.670 -1.936 2.308 1.00 0.00 C ATOM 1034 C LEU A 73 7.881 -2.662 2.885 1.00 0.00 C ATOM 1035 O LEU A 73 8.823 -2.033 3.366 1.00 0.00 O ATOM 1036 CB LEU A 73 5.467 -2.106 3.237 1.00 0.00 C ATOM 1037 CG LEU A 73 4.101 -1.778 2.634 1.00 0.00 C ATOM 1038 CD1 LEU A 73 3.015 -2.620 3.283 1.00 0.00 C ATOM 1039 CD2 LEU A 73 3.793 -0.296 2.787 1.00 0.00 C ATOM 0 H LEU A 73 5.516 -3.016 0.930 1.00 0.00 H new ATOM 0 HA LEU A 73 6.911 -0.876 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.448 -3.137 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.617 -1.473 4.112 1.00 0.00 H new ATOM 0 HG LEU A 73 4.128 -2.015 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.050 -2.373 2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.228 -3.677 3.121 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.987 -2.416 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.817 -0.080 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.785 -0.033 3.845 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.556 0.289 2.274 1.00 0.00 H new ATOM 1051 N SER A 74 7.848 -3.990 2.833 1.00 0.00 N ATOM 1052 CA SER A 74 8.942 -4.802 3.353 1.00 0.00 C ATOM 1053 C SER A 74 9.173 -6.028 2.474 1.00 0.00 C ATOM 1054 O SER A 74 8.344 -6.366 1.629 1.00 0.00 O ATOM 1055 CB SER A 74 8.643 -5.239 4.788 1.00 0.00 C ATOM 1056 OG SER A 74 8.697 -4.138 5.678 1.00 0.00 O ATOM 0 H SER A 74 7.076 -4.526 2.436 1.00 0.00 H new ATOM 0 HA SER A 74 9.848 -4.195 3.347 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.656 -5.699 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.362 -5.997 5.098 1.00 0.00 H new ATOM 0 HG SER A 74 8.501 -4.443 6.588 1.00 0.00 H new ATOM 1062 N VAL A 75 10.308 -6.689 2.679 1.00 0.00 N ATOM 1063 CA VAL A 75 10.650 -7.878 1.907 1.00 0.00 C ATOM 1064 C VAL A 75 11.417 -8.884 2.758 1.00 0.00 C ATOM 1065 O VAL A 75 12.475 -8.573 3.302 1.00 0.00 O ATOM 1066 CB VAL A 75 11.494 -7.520 0.670 1.00 0.00 C ATOM 1067 CG1 VAL A 75 12.570 -6.508 1.032 1.00 0.00 C ATOM 1068 CG2 VAL A 75 12.111 -8.772 0.065 1.00 0.00 C ATOM 0 H VAL A 75 11.006 -6.421 3.373 1.00 0.00 H new ATOM 0 HA VAL A 75 9.711 -8.324 1.580 1.00 0.00 H new ATOM 0 HB VAL A 75 10.840 -7.068 -0.076 1.00 0.00 H new ATOM 0 HG11 VAL A 75 13.156 -6.267 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.102 -5.601 1.415 1.00 0.00 H new ATOM 0 HG13 VAL A 75 13.224 -6.929 1.796 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.704 -8.500 -0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.752 -9.255 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.320 -9.460 -0.234 1.00 0.00 H new ATOM 1078 N ASN A 76 10.874 -10.093 2.868 1.00 0.00 N ATOM 1079 CA ASN A 76 11.507 -11.146 3.653 1.00 0.00 C ATOM 1080 C ASN A 76 11.690 -10.708 5.103 1.00 0.00 C ATOM 1081 O ASN A 76 12.570 -11.203 5.806 1.00 0.00 O ATOM 1082 CB ASN A 76 12.861 -11.519 3.047 1.00 0.00 C ATOM 1083 CG ASN A 76 12.726 -12.156 1.677 1.00 0.00 C ATOM 1084 OD1 ASN A 76 12.078 -13.192 1.524 1.00 0.00 O ATOM 1085 ND2 ASN A 76 13.338 -11.539 0.674 1.00 0.00 N ATOM 0 H ASN A 76 9.998 -10.367 2.424 1.00 0.00 H new ATOM 0 HA ASN A 76 10.855 -12.020 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A 76 13.480 -10.625 2.970 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.378 -12.208 3.715 1.00 0.00 H new ATOM 0 HD21 ASN A 76 13.282 -11.921 -0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.864 -10.682 0.847 1.00 0.00 H new ATOM 1092 N GLY A 77 10.851 -9.776 5.545 1.00 0.00 N ATOM 1093 CA GLY A 77 10.936 -9.287 6.909 1.00 0.00 C ATOM 1094 C GLY A 77 11.758 -8.019 7.020 1.00 0.00 C ATOM 1095 O GLY A 77 11.794 -7.386 8.075 1.00 0.00 O ATOM 0 H GLY A 77 10.114 -9.351 4.983 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.931 -9.099 7.288 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.376 -10.058 7.541 1.00 0.00 H new ATOM 1099 N GLN A 78 12.422 -7.648 5.929 1.00 0.00 N ATOM 1100 CA GLN A 78 13.250 -6.448 5.910 1.00 0.00 C ATOM 1101 C GLN A 78 12.405 -5.208 5.637 1.00 0.00 C ATOM 1102 O GLN A 78 11.579 -5.196 4.724 1.00 0.00 O ATOM 1103 CB GLN A 78 14.346 -6.576 4.852 1.00 0.00 C ATOM 1104 CG GLN A 78 15.543 -7.392 5.311 1.00 0.00 C ATOM 1105 CD GLN A 78 16.459 -6.615 6.236 1.00 0.00 C ATOM 1106 OE1 GLN A 78 16.850 -7.104 7.296 1.00 0.00 O ATOM 1107 NE2 GLN A 78 16.808 -5.397 5.838 1.00 0.00 N ATOM 0 H GLN A 78 12.402 -8.161 5.048 1.00 0.00 H new ATOM 0 HA GLN A 78 13.713 -6.341 6.891 1.00 0.00 H new ATOM 0 HB2 GLN A 78 13.925 -7.036 3.958 1.00 0.00 H new ATOM 0 HB3 GLN A 78 14.684 -5.579 4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 78 15.192 -8.289 5.822 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.108 -7.723 4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 78 16.461 -5.031 4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 78 17.424 -4.828 6.419 1.00 0.00 H new ATOM 1116 N ASP A 79 12.616 -4.167 6.435 1.00 0.00 N ATOM 1117 CA ASP A 79 11.874 -2.921 6.279 1.00 0.00 C ATOM 1118 C ASP A 79 12.561 -2.002 5.273 1.00 0.00 C ATOM 1119 O ASP A 79 13.737 -1.667 5.425 1.00 0.00 O ATOM 1120 CB ASP A 79 11.738 -2.211 7.627 1.00 0.00 C ATOM 1121 CG ASP A 79 11.504 -3.180 8.770 1.00 0.00 C ATOM 1122 OD1 ASP A 79 10.345 -3.601 8.962 1.00 0.00 O ATOM 1123 OD2 ASP A 79 12.481 -3.516 9.472 1.00 0.00 O ATOM 0 H ASP A 79 13.295 -4.161 7.196 1.00 0.00 H new ATOM 0 HA ASP A 79 10.880 -3.163 5.903 1.00 0.00 H new ATOM 0 HB2 ASP A 79 12.641 -1.633 7.823 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.911 -1.503 7.580 1.00 0.00 H new ATOM 1128 N LEU A 80 11.821 -1.598 4.247 1.00 0.00 N ATOM 1129 CA LEU A 80 12.359 -0.718 3.215 1.00 0.00 C ATOM 1130 C LEU A 80 12.025 0.740 3.515 1.00 0.00 C ATOM 1131 O LEU A 80 10.938 1.219 3.190 1.00 0.00 O ATOM 1132 CB LEU A 80 11.805 -1.109 1.844 1.00 0.00 C ATOM 1133 CG LEU A 80 12.103 -2.535 1.382 1.00 0.00 C ATOM 1134 CD1 LEU A 80 11.088 -2.981 0.340 1.00 0.00 C ATOM 1135 CD2 LEU A 80 13.517 -2.632 0.828 1.00 0.00 C ATOM 0 H LEU A 80 10.847 -1.865 4.107 1.00 0.00 H new ATOM 0 HA LEU A 80 13.443 -0.829 3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.724 -0.972 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 80 12.204 -0.417 1.102 1.00 0.00 H new ATOM 0 HG LEU A 80 12.026 -3.199 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.316 -3.999 0.022 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.087 -2.951 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.133 -2.314 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 80 13.711 -3.654 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 80 13.622 -1.956 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 80 14.231 -2.355 1.603 1.00 0.00 H new ATOM 1147 N LYS A 81 12.967 1.442 4.135 1.00 0.00 N ATOM 1148 CA LYS A 81 12.776 2.847 4.476 1.00 0.00 C ATOM 1149 C LYS A 81 14.116 3.565 4.598 1.00 0.00 C ATOM 1150 O LYS A 81 15.162 2.929 4.720 1.00 0.00 O ATOM 1151 CB LYS A 81 11.996 2.973 5.787 1.00 0.00 C ATOM 1152 CG LYS A 81 12.621 2.212 6.942 1.00 0.00 C ATOM 1153 CD LYS A 81 12.115 2.718 8.283 1.00 0.00 C ATOM 1154 CE LYS A 81 12.365 1.706 9.391 1.00 0.00 C ATOM 1155 NZ LYS A 81 11.223 0.764 9.549 1.00 0.00 N ATOM 0 H LYS A 81 13.872 1.061 4.412 1.00 0.00 H new ATOM 0 HA LYS A 81 12.205 3.315 3.674 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.921 4.027 6.055 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.980 2.611 5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.395 1.150 6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.706 2.312 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.610 3.658 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.048 2.928 8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.272 1.143 9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.535 2.231 10.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.507 -0.026 10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.418 1.263 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.945 0.396 8.617 1.00 0.00 H new ATOM 1169 N ASN A 82 14.076 4.893 4.567 1.00 0.00 N ATOM 1170 CA ASN A 82 15.288 5.697 4.675 1.00 0.00 C ATOM 1171 C ASN A 82 16.465 5.000 4.000 1.00 0.00 C ATOM 1172 O ASN A 82 17.575 4.974 4.534 1.00 0.00 O ATOM 1173 CB ASN A 82 15.615 5.968 6.145 1.00 0.00 C ATOM 1174 CG ASN A 82 14.634 6.928 6.788 1.00 0.00 C ATOM 1175 OD1 ASN A 82 14.418 8.035 6.294 1.00 0.00 O ATOM 1176 ND2 ASN A 82 14.035 6.508 7.896 1.00 0.00 N ATOM 0 H ASN A 82 13.218 5.435 4.468 1.00 0.00 H new ATOM 0 HA ASN A 82 15.112 6.646 4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 82 15.611 5.027 6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 82 16.622 6.377 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 82 13.365 7.111 8.374 1.00 0.00 H new ATOM 0 HD22 ASN A 82 14.245 5.582 8.270 1.00 0.00 H new ATOM 1183 N LEU A 83 16.216 4.436 2.823 1.00 0.00 N ATOM 1184 CA LEU A 83 17.255 3.738 2.074 1.00 0.00 C ATOM 1185 C LEU A 83 17.367 4.290 0.656 1.00 0.00 C ATOM 1186 O LEU A 83 16.447 4.937 0.156 1.00 0.00 O ATOM 1187 CB LEU A 83 16.959 2.238 2.028 1.00 0.00 C ATOM 1188 CG LEU A 83 15.574 1.843 1.516 1.00 0.00 C ATOM 1189 CD1 LEU A 83 15.461 2.109 0.022 1.00 0.00 C ATOM 1190 CD2 LEU A 83 15.289 0.380 1.822 1.00 0.00 C ATOM 0 H LEU A 83 15.304 4.448 2.367 1.00 0.00 H new ATOM 0 HA LEU A 83 18.205 3.898 2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.708 1.759 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.082 1.833 3.032 1.00 0.00 H new ATOM 0 HG LEU A 83 14.831 2.452 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.468 1.822 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.620 3.170 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.214 1.526 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.299 0.117 1.450 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.037 -0.246 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 83 15.326 0.220 2.899 1.00 0.00 H new ATOM 1202 N LEU A 84 18.499 4.027 0.012 1.00 0.00 N ATOM 1203 CA LEU A 84 18.731 4.495 -1.350 1.00 0.00 C ATOM 1204 C LEU A 84 18.247 3.468 -2.368 1.00 0.00 C ATOM 1205 O LEU A 84 17.941 2.328 -2.018 1.00 0.00 O ATOM 1206 CB LEU A 84 20.218 4.782 -1.565 1.00 0.00 C ATOM 1207 CG LEU A 84 20.963 5.393 -0.377 1.00 0.00 C ATOM 1208 CD1 LEU A 84 22.424 4.971 -0.389 1.00 0.00 C ATOM 1209 CD2 LEU A 84 20.844 6.910 -0.396 1.00 0.00 C ATOM 0 H LEU A 84 19.270 3.492 0.411 1.00 0.00 H new ATOM 0 HA LEU A 84 18.165 5.416 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 84 20.712 3.849 -1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.318 5.455 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 84 20.507 5.024 0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.938 5.415 0.463 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.489 3.885 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.893 5.310 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 84 21.380 7.328 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.274 7.297 -1.320 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.793 7.193 -0.338 1.00 0.00 H new ATOM 1221 N HIS A 85 18.183 3.879 -3.631 1.00 0.00 N ATOM 1222 CA HIS A 85 17.739 2.993 -4.701 1.00 0.00 C ATOM 1223 C HIS A 85 18.584 1.724 -4.742 1.00 0.00 C ATOM 1224 O HIS A 85 18.053 0.617 -4.832 1.00 0.00 O ATOM 1225 CB HIS A 85 17.811 3.711 -6.049 1.00 0.00 C ATOM 1226 CG HIS A 85 17.192 2.939 -7.173 1.00 0.00 C ATOM 1227 ND1 HIS A 85 15.843 2.662 -7.242 1.00 0.00 N ATOM 1228 CD2 HIS A 85 17.745 2.387 -8.278 1.00 0.00 C ATOM 1229 CE1 HIS A 85 15.593 1.970 -8.339 1.00 0.00 C ATOM 1230 NE2 HIS A 85 16.731 1.791 -8.986 1.00 0.00 N ATOM 0 H HIS A 85 18.433 4.819 -3.938 1.00 0.00 H new ATOM 0 HA HIS A 85 16.705 2.713 -4.501 1.00 0.00 H new ATOM 0 HB2 HIS A 85 17.312 4.676 -5.964 1.00 0.00 H new ATOM 0 HB3 HIS A 85 18.855 3.912 -6.289 1.00 0.00 H new ATOM 0 HD1 HIS A 85 15.147 2.947 -6.553 1.00 0.00 H new ATOM 0 HD2 HIS A 85 18.789 2.411 -8.552 1.00 0.00 H new ATOM 0 HE1 HIS A 85 14.624 1.612 -8.653 1.00 0.00 H new ATOM 1238 N GLN A 86 19.900 1.893 -4.675 1.00 0.00 N ATOM 1239 CA GLN A 86 20.818 0.760 -4.706 1.00 0.00 C ATOM 1240 C GLN A 86 20.551 -0.188 -3.542 1.00 0.00 C ATOM 1241 O GLN A 86 20.622 -1.408 -3.693 1.00 0.00 O ATOM 1242 CB GLN A 86 22.267 1.249 -4.659 1.00 0.00 C ATOM 1243 CG GLN A 86 23.288 0.123 -4.640 1.00 0.00 C ATOM 1244 CD GLN A 86 23.363 -0.620 -5.959 1.00 0.00 C ATOM 1245 OE1 GLN A 86 24.041 -0.187 -6.891 1.00 0.00 O ATOM 1246 NE2 GLN A 86 22.664 -1.746 -6.045 1.00 0.00 N ATOM 0 H GLN A 86 20.355 2.803 -4.599 1.00 0.00 H new ATOM 0 HA GLN A 86 20.655 0.218 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 86 22.456 1.885 -5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 86 22.404 1.868 -3.772 1.00 0.00 H new ATOM 0 HG2 GLN A 86 24.270 0.532 -4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 86 23.034 -0.579 -3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 86 22.116 -2.068 -5.248 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.676 -2.289 -6.909 1.00 0.00 H new ATOM 1255 N ASP A 87 20.244 0.380 -2.381 1.00 0.00 N ATOM 1256 CA ASP A 87 19.966 -0.415 -1.190 1.00 0.00 C ATOM 1257 C ASP A 87 18.746 -1.306 -1.404 1.00 0.00 C ATOM 1258 O ASP A 87 18.761 -2.488 -1.064 1.00 0.00 O ATOM 1259 CB ASP A 87 19.742 0.496 0.017 1.00 0.00 C ATOM 1260 CG ASP A 87 21.032 0.826 0.741 1.00 0.00 C ATOM 1261 OD1 ASP A 87 21.747 1.747 0.291 1.00 0.00 O ATOM 1262 OD2 ASP A 87 21.328 0.165 1.758 1.00 0.00 O ATOM 0 H ASP A 87 20.181 1.388 -2.239 1.00 0.00 H new ATOM 0 HA ASP A 87 20.830 -1.052 -0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.267 1.420 -0.312 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.053 0.013 0.710 1.00 0.00 H new ATOM 1267 N ALA A 88 17.691 -0.729 -1.969 1.00 0.00 N ATOM 1268 CA ALA A 88 16.463 -1.470 -2.230 1.00 0.00 C ATOM 1269 C ALA A 88 16.697 -2.579 -3.249 1.00 0.00 C ATOM 1270 O ALA A 88 16.314 -3.729 -3.030 1.00 0.00 O ATOM 1271 CB ALA A 88 15.370 -0.528 -2.713 1.00 0.00 C ATOM 0 H ALA A 88 17.662 0.250 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 88 16.142 -1.932 -1.297 1.00 0.00 H new ATOM 0 HB1 ALA A 88 14.459 -1.095 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 88 15.175 0.225 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 88 15.692 -0.038 -3.632 1.00 0.00 H new ATOM 1277 N VAL A 89 17.327 -2.227 -4.366 1.00 0.00 N ATOM 1278 CA VAL A 89 17.612 -3.193 -5.420 1.00 0.00 C ATOM 1279 C VAL A 89 18.415 -4.373 -4.881 1.00 0.00 C ATOM 1280 O VAL A 89 18.103 -5.530 -5.164 1.00 0.00 O ATOM 1281 CB VAL A 89 18.389 -2.545 -6.580 1.00 0.00 C ATOM 1282 CG1 VAL A 89 18.708 -3.576 -7.652 1.00 0.00 C ATOM 1283 CG2 VAL A 89 17.601 -1.383 -7.165 1.00 0.00 C ATOM 0 H VAL A 89 17.650 -1.280 -4.564 1.00 0.00 H new ATOM 0 HA VAL A 89 16.651 -3.550 -5.791 1.00 0.00 H new ATOM 0 HB VAL A 89 19.331 -2.157 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 89 19.257 -3.099 -8.464 1.00 0.00 H new ATOM 0 HG12 VAL A 89 19.315 -4.372 -7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 89 17.780 -3.996 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL A 89 18.165 -0.937 -7.984 1.00 0.00 H new ATOM 0 HG22 VAL A 89 16.643 -1.745 -7.539 1.00 0.00 H new ATOM 0 HG23 VAL A 89 17.429 -0.634 -6.392 1.00 0.00 H new ATOM 1293 N ASP A 90 19.449 -4.072 -4.104 1.00 0.00 N ATOM 1294 CA ASP A 90 20.297 -5.107 -3.524 1.00 0.00 C ATOM 1295 C ASP A 90 19.465 -6.104 -2.723 1.00 0.00 C ATOM 1296 O ASP A 90 19.474 -7.303 -3.003 1.00 0.00 O ATOM 1297 CB ASP A 90 21.365 -4.479 -2.628 1.00 0.00 C ATOM 1298 CG ASP A 90 22.649 -5.285 -2.605 1.00 0.00 C ATOM 1299 OD1 ASP A 90 23.389 -5.251 -3.611 1.00 0.00 O ATOM 1300 OD2 ASP A 90 22.913 -5.949 -1.582 1.00 0.00 O ATOM 0 H ASP A 90 19.721 -3.119 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 90 20.786 -5.641 -4.339 1.00 0.00 H new ATOM 0 HB2 ASP A 90 21.580 -3.469 -2.977 1.00 0.00 H new ATOM 0 HB3 ASP A 90 20.977 -4.390 -1.613 1.00 0.00 H new ATOM 1305 N LEU A 91 18.749 -5.601 -1.724 1.00 0.00 N ATOM 1306 CA LEU A 91 17.912 -6.447 -0.880 1.00 0.00 C ATOM 1307 C LEU A 91 17.200 -7.510 -1.711 1.00 0.00 C ATOM 1308 O LEU A 91 17.146 -8.679 -1.328 1.00 0.00 O ATOM 1309 CB LEU A 91 16.884 -5.597 -0.131 1.00 0.00 C ATOM 1310 CG LEU A 91 15.936 -6.355 0.799 1.00 0.00 C ATOM 1311 CD1 LEU A 91 16.698 -7.396 1.605 1.00 0.00 C ATOM 1312 CD2 LEU A 91 15.209 -5.389 1.723 1.00 0.00 C ATOM 0 H LEU A 91 18.731 -4.611 -1.478 1.00 0.00 H new ATOM 0 HA LEU A 91 18.556 -6.947 -0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 91 17.418 -4.851 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 91 16.286 -5.056 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 91 15.194 -6.870 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 91 16.007 -7.925 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 91 17.171 -8.106 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 91 17.463 -6.903 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.539 -5.946 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.936 -4.845 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.630 -4.682 1.128 1.00 0.00 H new ATOM 1324 N PHE A 92 16.658 -7.098 -2.852 1.00 0.00 N ATOM 1325 CA PHE A 92 15.951 -8.015 -3.738 1.00 0.00 C ATOM 1326 C PHE A 92 16.887 -9.105 -4.251 1.00 0.00 C ATOM 1327 O PHE A 92 16.488 -10.260 -4.401 1.00 0.00 O ATOM 1328 CB PHE A 92 15.344 -7.252 -4.918 1.00 0.00 C ATOM 1329 CG PHE A 92 14.101 -6.487 -4.561 1.00 0.00 C ATOM 1330 CD1 PHE A 92 14.071 -5.670 -3.443 1.00 0.00 C ATOM 1331 CD2 PHE A 92 12.963 -6.587 -5.345 1.00 0.00 C ATOM 1332 CE1 PHE A 92 12.929 -4.965 -3.113 1.00 0.00 C ATOM 1333 CE2 PHE A 92 11.818 -5.884 -5.020 1.00 0.00 C ATOM 1334 CZ PHE A 92 11.801 -5.073 -3.902 1.00 0.00 C ATOM 0 H PHE A 92 16.695 -6.135 -3.185 1.00 0.00 H new ATOM 0 HA PHE A 92 15.150 -8.486 -3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 92 16.087 -6.559 -5.313 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.110 -7.958 -5.715 1.00 0.00 H new ATOM 0 HD1 PHE A 92 14.950 -5.583 -2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.971 -7.221 -6.219 1.00 0.00 H new ATOM 0 HE1 PHE A 92 12.919 -4.330 -2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 92 10.938 -5.969 -5.640 1.00 0.00 H new ATOM 0 HZ PHE A 92 10.907 -4.524 -3.645 1.00 0.00 H new ATOM 1344 N ARG A 93 18.134 -8.730 -4.518 1.00 0.00 N ATOM 1345 CA ARG A 93 19.126 -9.675 -5.015 1.00 0.00 C ATOM 1346 C ARG A 93 19.320 -10.827 -4.034 1.00 0.00 C ATOM 1347 O ARG A 93 19.435 -11.984 -4.435 1.00 0.00 O ATOM 1348 CB ARG A 93 20.460 -8.966 -5.256 1.00 0.00 C ATOM 1349 CG ARG A 93 20.327 -7.662 -6.026 1.00 0.00 C ATOM 1350 CD ARG A 93 19.598 -7.866 -7.345 1.00 0.00 C ATOM 1351 NE ARG A 93 20.182 -8.950 -8.131 1.00 0.00 N ATOM 1352 CZ ARG A 93 21.376 -8.877 -8.709 1.00 0.00 C ATOM 1353 NH1 ARG A 93 22.109 -7.779 -8.588 1.00 0.00 N ATOM 1354 NH2 ARG A 93 21.839 -9.905 -9.409 1.00 0.00 N ATOM 0 H ARG A 93 18.481 -7.778 -4.398 1.00 0.00 H new ATOM 0 HA ARG A 93 18.762 -10.082 -5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.933 -8.764 -4.295 1.00 0.00 H new ATOM 0 HB3 ARG A 93 21.124 -9.635 -5.804 1.00 0.00 H new ATOM 0 HG2 ARG A 93 19.788 -6.934 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 93 21.317 -7.248 -6.216 1.00 0.00 H new ATOM 0 HD2 ARG A 93 18.548 -8.085 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 93 19.628 -6.942 -7.923 1.00 0.00 H new ATOM 0 HE ARG A 93 19.644 -9.809 -8.242 1.00 0.00 H new ATOM 0 HH11 ARG A 93 21.757 -6.987 -8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 93 23.025 -7.726 -9.033 1.00 0.00 H new ATOM 0 HH21 ARG A 93 21.278 -10.752 -9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 93 22.756 -9.848 -9.853 1.00 0.00 H new ATOM 1368 N ASN A 94 19.356 -10.500 -2.746 1.00 0.00 N ATOM 1369 CA ASN A 94 19.537 -11.508 -1.707 1.00 0.00 C ATOM 1370 C ASN A 94 18.337 -12.448 -1.645 1.00 0.00 C ATOM 1371 O ASN A 94 18.482 -13.639 -1.371 1.00 0.00 O ATOM 1372 CB ASN A 94 19.743 -10.837 -0.347 1.00 0.00 C ATOM 1373 CG ASN A 94 19.887 -11.843 0.778 1.00 0.00 C ATOM 1374 OD1 ASN A 94 20.370 -12.956 0.573 1.00 0.00 O ATOM 1375 ND2 ASN A 94 19.466 -11.455 1.976 1.00 0.00 N ATOM 0 H ASN A 94 19.262 -9.546 -2.397 1.00 0.00 H new ATOM 0 HA ASN A 94 20.422 -12.094 -1.955 1.00 0.00 H new ATOM 0 HB2 ASN A 94 20.633 -10.209 -0.386 1.00 0.00 H new ATOM 0 HB3 ASN A 94 18.899 -10.180 -0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 94 19.537 -12.089 2.772 1.00 0.00 H new ATOM 0 HD22 ASN A 94 19.072 -10.523 2.101 1.00 0.00 H new ATOM 1382 N ALA A 95 17.152 -11.904 -1.903 1.00 0.00 N ATOM 1383 CA ALA A 95 15.927 -12.694 -1.880 1.00 0.00 C ATOM 1384 C ALA A 95 16.184 -14.119 -2.356 1.00 0.00 C ATOM 1385 O ALA A 95 15.946 -15.080 -1.626 1.00 0.00 O ATOM 1386 CB ALA A 95 14.857 -12.034 -2.737 1.00 0.00 C ATOM 0 H ALA A 95 17.014 -10.919 -2.130 1.00 0.00 H new ATOM 0 HA ALA A 95 15.574 -12.741 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 95 13.948 -12.635 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 95 14.645 -11.037 -2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 95 15.211 -11.956 -3.765 1.00 0.00 H new ATOM 1392 N GLY A 96 16.672 -14.249 -3.587 1.00 0.00 N ATOM 1393 CA GLY A 96 16.952 -15.561 -4.139 1.00 0.00 C ATOM 1394 C GLY A 96 15.691 -16.321 -4.498 1.00 0.00 C ATOM 1395 O GLY A 96 14.647 -15.719 -4.755 1.00 0.00 O ATOM 0 H GLY A 96 16.878 -13.469 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.573 -15.452 -5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.528 -16.140 -3.417 1.00 0.00 H new ATOM 1399 N TYR A 97 15.785 -17.645 -4.518 1.00 0.00 N ATOM 1400 CA TYR A 97 14.643 -18.488 -4.852 1.00 0.00 C ATOM 1401 C TYR A 97 13.359 -17.933 -4.244 1.00 0.00 C ATOM 1402 O TYR A 97 12.489 -17.430 -4.954 1.00 0.00 O ATOM 1403 CB TYR A 97 14.877 -19.918 -4.361 1.00 0.00 C ATOM 1404 CG TYR A 97 13.763 -20.873 -4.726 1.00 0.00 C ATOM 1405 CD1 TYR A 97 13.508 -21.197 -6.053 1.00 0.00 C ATOM 1406 CD2 TYR A 97 12.966 -21.451 -3.746 1.00 0.00 C ATOM 1407 CE1 TYR A 97 12.491 -22.069 -6.392 1.00 0.00 C ATOM 1408 CE2 TYR A 97 11.949 -22.325 -4.075 1.00 0.00 C ATOM 1409 CZ TYR A 97 11.715 -22.630 -5.400 1.00 0.00 C ATOM 1410 OH TYR A 97 10.701 -23.499 -5.732 1.00 0.00 O ATOM 0 H TYR A 97 16.641 -18.159 -4.307 1.00 0.00 H new ATOM 0 HA TYR A 97 14.535 -18.496 -5.937 1.00 0.00 H new ATOM 0 HB2 TYR A 97 15.813 -20.288 -4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 97 14.994 -19.907 -3.277 1.00 0.00 H new ATOM 0 HD1 TYR A 97 14.115 -20.760 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 97 13.145 -21.212 -2.708 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.305 -22.310 -7.428 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.340 -22.767 -3.300 1.00 0.00 H new ATOM 0 HH TYR A 97 10.252 -23.805 -4.916 1.00 0.00 H new ATOM 1420 N ALA A 98 13.250 -18.026 -2.923 1.00 0.00 N ATOM 1421 CA ALA A 98 12.074 -17.531 -2.216 1.00 0.00 C ATOM 1422 C ALA A 98 12.152 -16.022 -2.013 1.00 0.00 C ATOM 1423 O ALA A 98 13.033 -15.524 -1.312 1.00 0.00 O ATOM 1424 CB ALA A 98 11.926 -18.240 -0.878 1.00 0.00 C ATOM 0 H ALA A 98 13.961 -18.439 -2.320 1.00 0.00 H new ATOM 0 HA ALA A 98 11.196 -17.744 -2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.044 -17.861 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.816 -19.312 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 98 12.811 -18.056 -0.269 1.00 0.00 H new ATOM 1430 N VAL A 99 11.224 -15.298 -2.630 1.00 0.00 N ATOM 1431 CA VAL A 99 11.187 -13.845 -2.516 1.00 0.00 C ATOM 1432 C VAL A 99 9.822 -13.366 -2.034 1.00 0.00 C ATOM 1433 O VAL A 99 8.837 -13.424 -2.770 1.00 0.00 O ATOM 1434 CB VAL A 99 11.510 -13.168 -3.862 1.00 0.00 C ATOM 1435 CG1 VAL A 99 11.712 -11.672 -3.672 1.00 0.00 C ATOM 1436 CG2 VAL A 99 12.738 -13.804 -4.496 1.00 0.00 C ATOM 0 H VAL A 99 10.488 -15.694 -3.214 1.00 0.00 H new ATOM 0 HA VAL A 99 11.946 -13.566 -1.785 1.00 0.00 H new ATOM 0 HB VAL A 99 10.665 -13.314 -4.535 1.00 0.00 H new ATOM 0 HG11 VAL A 99 11.939 -11.211 -4.633 1.00 0.00 H new ATOM 0 HG12 VAL A 99 10.803 -11.231 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.539 -11.501 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.952 -13.314 -5.446 1.00 0.00 H new ATOM 0 HG22 VAL A 99 13.592 -13.690 -3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.551 -14.864 -4.669 1.00 0.00 H new ATOM 1446 N SER A 100 9.772 -12.893 -0.793 1.00 0.00 N ATOM 1447 CA SER A 100 8.526 -12.406 -0.211 1.00 0.00 C ATOM 1448 C SER A 100 8.467 -10.882 -0.250 1.00 0.00 C ATOM 1449 O SER A 100 9.288 -10.201 0.366 1.00 0.00 O ATOM 1450 CB SER A 100 8.388 -12.896 1.232 1.00 0.00 C ATOM 1451 OG SER A 100 7.881 -14.219 1.275 1.00 0.00 O ATOM 0 H SER A 100 10.579 -12.836 -0.171 1.00 0.00 H new ATOM 0 HA SER A 100 7.699 -12.799 -0.802 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.359 -12.859 1.726 1.00 0.00 H new ATOM 0 HB3 SER A 100 7.724 -12.231 1.783 1.00 0.00 H new ATOM 0 HG SER A 100 7.804 -14.510 2.208 1.00 0.00 H new ATOM 1457 N LEU A 101 7.490 -10.354 -0.978 1.00 0.00 N ATOM 1458 CA LEU A 101 7.322 -8.910 -1.099 1.00 0.00 C ATOM 1459 C LEU A 101 5.977 -8.468 -0.530 1.00 0.00 C ATOM 1460 O LEU A 101 4.923 -8.910 -0.988 1.00 0.00 O ATOM 1461 CB LEU A 101 7.432 -8.484 -2.565 1.00 0.00 C ATOM 1462 CG LEU A 101 8.550 -9.144 -3.373 1.00 0.00 C ATOM 1463 CD1 LEU A 101 8.235 -9.095 -4.860 1.00 0.00 C ATOM 1464 CD2 LEU A 101 9.884 -8.471 -3.085 1.00 0.00 C ATOM 0 H LEU A 101 6.802 -10.903 -1.493 1.00 0.00 H new ATOM 0 HA LEU A 101 8.115 -8.429 -0.526 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.482 -8.695 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.575 -7.404 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 101 8.621 -10.189 -3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.042 -9.569 -5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.301 -9.624 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.136 -8.057 -5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 101 10.668 -8.953 -3.668 1.00 0.00 H new ATOM 0 HD22 LEU A 101 9.826 -7.417 -3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.115 -8.560 -2.023 1.00 0.00 H new ATOM 1476 N ARG A 102 6.022 -7.593 0.469 1.00 0.00 N ATOM 1477 CA ARG A 102 4.807 -7.092 1.100 1.00 0.00 C ATOM 1478 C ARG A 102 4.415 -5.735 0.523 1.00 0.00 C ATOM 1479 O ARG A 102 4.974 -4.704 0.897 1.00 0.00 O ATOM 1480 CB ARG A 102 5.003 -6.977 2.613 1.00 0.00 C ATOM 1481 CG ARG A 102 3.700 -6.941 3.395 1.00 0.00 C ATOM 1482 CD ARG A 102 3.875 -6.246 4.737 1.00 0.00 C ATOM 1483 NE ARG A 102 4.662 -7.048 5.670 1.00 0.00 N ATOM 1484 CZ ARG A 102 4.230 -8.182 6.209 1.00 0.00 C ATOM 1485 NH1 ARG A 102 3.025 -8.647 5.910 1.00 0.00 N ATOM 1486 NH2 ARG A 102 5.005 -8.856 7.050 1.00 0.00 N ATOM 0 H ARG A 102 6.886 -7.216 0.859 1.00 0.00 H new ATOM 0 HA ARG A 102 4.003 -7.800 0.897 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.601 -7.820 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.572 -6.073 2.829 1.00 0.00 H new ATOM 0 HG2 ARG A 102 2.939 -6.423 2.812 1.00 0.00 H new ATOM 0 HG3 ARG A 102 3.342 -7.958 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 102 4.363 -5.283 4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 102 2.896 -6.043 5.170 1.00 0.00 H new ATOM 0 HE ARG A 102 5.594 -6.719 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 102 2.426 -8.133 5.264 1.00 0.00 H new ATOM 0 HH12 ARG A 102 2.697 -9.519 6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 102 5.933 -8.503 7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 102 4.672 -9.727 7.464 1.00 0.00 H new ATOM 1500 N VAL A 103 3.451 -5.743 -0.392 1.00 0.00 N ATOM 1501 CA VAL A 103 2.983 -4.514 -1.021 1.00 0.00 C ATOM 1502 C VAL A 103 1.642 -4.076 -0.444 1.00 0.00 C ATOM 1503 O VAL A 103 0.979 -4.840 0.258 1.00 0.00 O ATOM 1504 CB VAL A 103 2.843 -4.682 -2.546 1.00 0.00 C ATOM 1505 CG1 VAL A 103 4.185 -5.033 -3.170 1.00 0.00 C ATOM 1506 CG2 VAL A 103 1.801 -5.741 -2.871 1.00 0.00 C ATOM 0 H VAL A 103 2.979 -6.588 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 103 3.731 -3.749 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 103 2.509 -3.735 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.066 -5.148 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.900 -4.236 -2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.551 -5.967 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.715 -5.847 -3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.103 -6.694 -2.436 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.838 -5.442 -2.458 1.00 0.00 H new ATOM 1516 N GLN A 104 1.248 -2.843 -0.745 1.00 0.00 N ATOM 1517 CA GLN A 104 -0.015 -2.304 -0.254 1.00 0.00 C ATOM 1518 C GLN A 104 -0.894 -1.840 -1.411 1.00 0.00 C ATOM 1519 O GLN A 104 -0.480 -1.017 -2.228 1.00 0.00 O ATOM 1520 CB GLN A 104 0.240 -1.141 0.706 1.00 0.00 C ATOM 1521 CG GLN A 104 -1.031 -0.511 1.250 1.00 0.00 C ATOM 1522 CD GLN A 104 -0.754 0.668 2.162 1.00 0.00 C ATOM 1523 OE1 GLN A 104 -0.500 1.780 1.699 1.00 0.00 O ATOM 1524 NE2 GLN A 104 -0.803 0.430 3.468 1.00 0.00 N ATOM 0 H GLN A 104 1.785 -2.199 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 104 -0.537 -3.098 0.280 1.00 0.00 H new ATOM 0 HB2 GLN A 104 0.846 -1.496 1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.823 -0.377 0.191 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -1.654 -0.183 0.418 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -1.599 -1.263 1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.017 -0.508 3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -0.626 1.185 4.131 1.00 0.00 H new ATOM 1533 N HIS A 105 -2.110 -2.374 -1.475 1.00 0.00 N ATOM 1534 CA HIS A 105 -3.048 -2.014 -2.532 1.00 0.00 C ATOM 1535 C HIS A 105 -3.909 -0.826 -2.114 1.00 0.00 C ATOM 1536 O HIS A 105 -4.721 -0.929 -1.195 1.00 0.00 O ATOM 1537 CB HIS A 105 -3.940 -3.207 -2.880 1.00 0.00 C ATOM 1538 CG HIS A 105 -3.174 -4.445 -3.232 1.00 0.00 C ATOM 1539 ND1 HIS A 105 -2.067 -4.437 -4.054 1.00 0.00 N ATOM 1540 CD2 HIS A 105 -3.359 -5.735 -2.866 1.00 0.00 C ATOM 1541 CE1 HIS A 105 -1.606 -5.669 -4.181 1.00 0.00 C ATOM 1542 NE2 HIS A 105 -2.373 -6.475 -3.469 1.00 0.00 N ATOM 0 H HIS A 105 -2.468 -3.057 -0.808 1.00 0.00 H new ATOM 0 HA HIS A 105 -2.472 -1.731 -3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -4.592 -3.422 -2.033 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.583 -2.937 -3.718 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -1.666 -3.609 -4.495 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.138 -6.112 -2.220 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.749 -5.966 -4.767 1.00 0.00 H new ATOM 1550 N ARG A 106 -3.723 0.301 -2.794 1.00 0.00 N ATOM 1551 CA ARG A 106 -4.481 1.509 -2.491 1.00 0.00 C ATOM 1552 C ARG A 106 -5.790 1.541 -3.275 1.00 0.00 C ATOM 1553 O ARG A 106 -5.793 1.746 -4.490 1.00 0.00 O ATOM 1554 CB ARG A 106 -3.650 2.752 -2.814 1.00 0.00 C ATOM 1555 CG ARG A 106 -2.396 2.884 -1.965 1.00 0.00 C ATOM 1556 CD ARG A 106 -1.206 2.200 -2.620 1.00 0.00 C ATOM 1557 NE ARG A 106 -0.863 2.809 -3.902 1.00 0.00 N ATOM 1558 CZ ARG A 106 -0.274 3.994 -4.019 1.00 0.00 C ATOM 1559 NH1 ARG A 106 0.034 4.695 -2.937 1.00 0.00 N ATOM 1560 NH2 ARG A 106 0.006 4.481 -5.221 1.00 0.00 N ATOM 0 H ARG A 106 -3.055 0.402 -3.558 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.715 1.503 -1.427 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.365 2.725 -3.866 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.268 3.639 -2.674 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.170 3.939 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.573 2.447 -0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -0.346 2.251 -1.953 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.431 1.144 -2.769 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.088 2.296 -4.755 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.181 4.325 -2.011 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.486 5.605 -3.030 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.231 3.945 -6.056 1.00 0.00 H new ATOM 0 HH22 ARG A 106 0.458 5.391 -5.310 1.00 0.00 H new ATOM 1574 N LEU A 107 -6.899 1.338 -2.573 1.00 0.00 N ATOM 1575 CA LEU A 107 -8.215 1.343 -3.203 1.00 0.00 C ATOM 1576 C LEU A 107 -8.933 2.665 -2.954 1.00 0.00 C ATOM 1577 O LEU A 107 -8.871 3.218 -1.856 1.00 0.00 O ATOM 1578 CB LEU A 107 -9.060 0.182 -2.674 1.00 0.00 C ATOM 1579 CG LEU A 107 -8.722 -1.202 -3.229 1.00 0.00 C ATOM 1580 CD1 LEU A 107 -7.610 -1.846 -2.416 1.00 0.00 C ATOM 1581 CD2 LEU A 107 -9.959 -2.088 -3.241 1.00 0.00 C ATOM 0 H LEU A 107 -6.914 1.168 -1.567 1.00 0.00 H new ATOM 0 HA LEU A 107 -8.077 1.223 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.960 0.151 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -10.107 0.393 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 107 -8.373 -1.086 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -7.383 -2.830 -2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.718 -1.220 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.930 -1.950 -1.379 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -9.700 -3.069 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -10.338 -2.197 -2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -10.726 -1.633 -3.868 1.00 0.00 H new ATOM 1593 N GLN A 108 -9.615 3.165 -3.979 1.00 0.00 N ATOM 1594 CA GLN A 108 -10.346 4.421 -3.870 1.00 0.00 C ATOM 1595 C GLN A 108 -11.799 4.173 -3.481 1.00 0.00 C ATOM 1596 O GLN A 108 -12.554 3.546 -4.225 1.00 0.00 O ATOM 1597 CB GLN A 108 -10.283 5.189 -5.192 1.00 0.00 C ATOM 1598 CG GLN A 108 -10.902 6.576 -5.120 1.00 0.00 C ATOM 1599 CD GLN A 108 -10.352 7.515 -6.175 1.00 0.00 C ATOM 1600 OE1 GLN A 108 -10.555 7.311 -7.372 1.00 0.00 O ATOM 1601 NE2 GLN A 108 -9.650 8.554 -5.735 1.00 0.00 N ATOM 0 H GLN A 108 -9.676 2.719 -4.894 1.00 0.00 H new ATOM 0 HA GLN A 108 -9.877 5.019 -3.088 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -9.241 5.281 -5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -10.794 4.612 -5.963 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -11.982 6.494 -5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -10.721 7.000 -4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -9.506 8.685 -4.734 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -9.255 9.221 -6.399 1.00 0.00 H new ATOM 1610 N VAL A 109 -12.187 4.670 -2.310 1.00 0.00 N ATOM 1611 CA VAL A 109 -13.550 4.503 -1.822 1.00 0.00 C ATOM 1612 C VAL A 109 -14.441 5.653 -2.277 1.00 0.00 C ATOM 1613 O VAL A 109 -14.078 6.822 -2.146 1.00 0.00 O ATOM 1614 CB VAL A 109 -13.589 4.414 -0.285 1.00 0.00 C ATOM 1615 CG1 VAL A 109 -15.024 4.291 0.206 1.00 0.00 C ATOM 1616 CG2 VAL A 109 -12.748 3.244 0.202 1.00 0.00 C ATOM 0 H VAL A 109 -11.576 5.192 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.925 3.569 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 109 -13.167 5.331 0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -15.032 4.229 1.294 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -15.594 5.164 -0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -15.476 3.391 -0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.787 3.196 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -13.138 2.316 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -11.715 3.380 -0.119 1.00 0.00 H new ATOM 1626 N GLN A 110 -15.610 5.314 -2.811 1.00 0.00 N ATOM 1627 CA GLN A 110 -16.554 6.319 -3.285 1.00 0.00 C ATOM 1628 C GLN A 110 -17.614 6.612 -2.229 1.00 0.00 C ATOM 1629 O GLN A 110 -18.582 5.867 -2.084 1.00 0.00 O ATOM 1630 CB GLN A 110 -17.222 5.852 -4.580 1.00 0.00 C ATOM 1631 CG GLN A 110 -18.052 6.929 -5.259 1.00 0.00 C ATOM 1632 CD GLN A 110 -17.213 7.861 -6.112 1.00 0.00 C ATOM 1633 OE1 GLN A 110 -16.288 7.428 -6.800 1.00 0.00 O ATOM 1634 NE2 GLN A 110 -17.531 9.149 -6.069 1.00 0.00 N ATOM 0 H GLN A 110 -15.926 4.351 -2.926 1.00 0.00 H new ATOM 0 HA GLN A 110 -16.000 7.237 -3.481 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -16.453 5.507 -5.272 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -17.861 4.996 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -18.812 6.458 -5.882 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -18.577 7.510 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -18.306 9.464 -5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.001 9.824 -6.620 1.00 0.00 H new ATOM 1643 N ASN A 111 -17.423 7.702 -1.493 1.00 0.00 N ATOM 1644 CA ASN A 111 -18.363 8.093 -0.449 1.00 0.00 C ATOM 1645 C ASN A 111 -18.172 9.558 -0.065 1.00 0.00 C ATOM 1646 O ASN A 111 -17.174 9.923 0.553 1.00 0.00 O ATOM 1647 CB ASN A 111 -18.187 7.204 0.784 1.00 0.00 C ATOM 1648 CG ASN A 111 -18.750 7.840 2.041 1.00 0.00 C ATOM 1649 OD1 ASN A 111 -18.043 8.541 2.766 1.00 0.00 O ATOM 1650 ND2 ASN A 111 -20.029 7.598 2.304 1.00 0.00 N ATOM 0 H ASN A 111 -16.626 8.330 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 111 -19.373 7.967 -0.839 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -18.680 6.247 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -17.127 6.995 0.929 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -20.464 7.999 3.135 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -20.577 7.011 1.675 1.00 0.00 H new ATOM 1657 N GLY A 112 -19.138 10.392 -0.437 1.00 0.00 N ATOM 1658 CA GLY A 112 -19.058 11.807 -0.123 1.00 0.00 C ATOM 1659 C GLY A 112 -20.291 12.311 0.601 1.00 0.00 C ATOM 1660 O GLY A 112 -21.213 12.857 -0.005 1.00 0.00 O ATOM 0 H GLY A 112 -19.974 10.113 -0.950 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -18.178 11.990 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -18.925 12.374 -1.045 1.00 0.00 H new ATOM 1664 N PRO A 113 -20.317 12.127 1.929 1.00 0.00 N ATOM 1665 CA PRO A 113 -21.441 12.559 2.766 1.00 0.00 C ATOM 1666 C PRO A 113 -21.532 14.077 2.876 1.00 0.00 C ATOM 1667 O PRO A 113 -22.485 14.612 3.443 1.00 0.00 O ATOM 1668 CB PRO A 113 -21.125 11.942 4.131 1.00 0.00 C ATOM 1669 CG PRO A 113 -19.645 11.779 4.139 1.00 0.00 C ATOM 1670 CD PRO A 113 -19.253 11.484 2.717 1.00 0.00 C ATOM 0 HA PRO A 113 -22.400 12.246 2.353 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -21.457 12.588 4.944 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -21.630 10.984 4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -19.155 12.683 4.499 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -19.345 10.968 4.803 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -18.272 11.894 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -19.205 10.412 2.528 1.00 0.00 H new ATOM 1678 N ILE A 114 -20.536 14.766 2.329 1.00 0.00 N ATOM 1679 CA ILE A 114 -20.505 16.223 2.364 1.00 0.00 C ATOM 1680 C ILE A 114 -21.353 16.818 1.246 1.00 0.00 C ATOM 1681 O ILE A 114 -21.049 16.649 0.065 1.00 0.00 O ATOM 1682 CB ILE A 114 -19.066 16.759 2.243 1.00 0.00 C ATOM 1683 CG1 ILE A 114 -18.199 16.217 3.382 1.00 0.00 C ATOM 1684 CG2 ILE A 114 -19.066 18.280 2.247 1.00 0.00 C ATOM 1685 CD1 ILE A 114 -16.715 16.366 3.134 1.00 0.00 C ATOM 0 H ILE A 114 -19.740 14.338 1.856 1.00 0.00 H new ATOM 0 HA ILE A 114 -20.916 16.524 3.328 1.00 0.00 H new ATOM 0 HB ILE A 114 -18.645 16.418 1.297 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -18.459 16.736 4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -18.430 15.163 3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -18.042 18.644 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -19.653 18.646 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -19.502 18.641 3.178 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -16.162 15.961 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -16.441 15.823 2.229 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -16.471 17.421 3.012 1.00 0.00 H new ATOM 1697 N SER A 115 -22.418 17.517 1.626 1.00 0.00 N ATOM 1698 CA SER A 115 -23.312 18.136 0.655 1.00 0.00 C ATOM 1699 C SER A 115 -23.743 19.524 1.120 1.00 0.00 C ATOM 1700 O SER A 115 -23.780 19.806 2.317 1.00 0.00 O ATOM 1701 CB SER A 115 -24.544 17.257 0.430 1.00 0.00 C ATOM 1702 OG SER A 115 -25.355 17.209 1.591 1.00 0.00 O ATOM 0 H SER A 115 -22.682 17.669 2.599 1.00 0.00 H new ATOM 0 HA SER A 115 -22.770 18.238 -0.285 1.00 0.00 H new ATOM 0 HB2 SER A 115 -25.124 17.646 -0.407 1.00 0.00 H new ATOM 0 HB3 SER A 115 -24.231 16.249 0.159 1.00 0.00 H new ATOM 0 HG SER A 115 -26.136 16.643 1.421 1.00 0.00 H new ATOM 1708 N GLY A 116 -24.067 20.388 0.163 1.00 0.00 N ATOM 1709 CA GLY A 116 -24.491 21.737 0.494 1.00 0.00 C ATOM 1710 C GLY A 116 -25.825 22.094 -0.129 1.00 0.00 C ATOM 1711 O GLY A 116 -26.613 21.225 -0.503 1.00 0.00 O ATOM 0 H GLY A 116 -24.044 20.179 -0.835 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -24.561 21.837 1.577 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -23.735 22.445 0.156 1.00 0.00 H new ATOM 1715 N PRO A 117 -26.096 23.403 -0.246 1.00 0.00 N ATOM 1716 CA PRO A 117 -27.346 23.904 -0.827 1.00 0.00 C ATOM 1717 C PRO A 117 -27.429 23.652 -2.329 1.00 0.00 C ATOM 1718 O PRO A 117 -26.591 24.128 -3.095 1.00 0.00 O ATOM 1719 CB PRO A 117 -27.294 25.406 -0.539 1.00 0.00 C ATOM 1720 CG PRO A 117 -25.842 25.718 -0.417 1.00 0.00 C ATOM 1721 CD PRO A 117 -25.204 24.494 0.179 1.00 0.00 C ATOM 0 HA PRO A 117 -28.219 23.406 -0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -27.756 25.979 -1.343 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -27.830 25.652 0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -25.409 25.949 -1.390 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -25.682 26.590 0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -24.189 24.350 -0.190 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -25.141 24.562 1.265 1.00 0.00 H new ATOM 1729 N SER A 118 -28.444 22.901 -2.743 1.00 0.00 N ATOM 1730 CA SER A 118 -28.634 22.583 -4.153 1.00 0.00 C ATOM 1731 C SER A 118 -29.414 23.689 -4.859 1.00 0.00 C ATOM 1732 O SER A 118 -30.200 24.403 -4.237 1.00 0.00 O ATOM 1733 CB SER A 118 -29.369 21.250 -4.303 1.00 0.00 C ATOM 1734 OG SER A 118 -29.215 20.726 -5.611 1.00 0.00 O ATOM 0 H SER A 118 -29.148 22.501 -2.122 1.00 0.00 H new ATOM 0 HA SER A 118 -27.651 22.502 -4.617 1.00 0.00 H new ATOM 0 HB2 SER A 118 -28.985 20.536 -3.574 1.00 0.00 H new ATOM 0 HB3 SER A 118 -30.428 21.389 -4.086 1.00 0.00 H new ATOM 0 HG SER A 118 -29.693 19.873 -5.680 1.00 0.00 H new ATOM 1740 N SER A 119 -29.189 23.824 -6.162 1.00 0.00 N ATOM 1741 CA SER A 119 -29.866 24.844 -6.953 1.00 0.00 C ATOM 1742 C SER A 119 -31.379 24.648 -6.913 1.00 0.00 C ATOM 1743 O SER A 119 -32.135 25.599 -6.721 1.00 0.00 O ATOM 1744 CB SER A 119 -29.374 24.807 -8.401 1.00 0.00 C ATOM 1745 OG SER A 119 -28.251 25.652 -8.580 1.00 0.00 O ATOM 0 H SER A 119 -28.543 23.239 -6.692 1.00 0.00 H new ATOM 0 HA SER A 119 -29.632 25.817 -6.522 1.00 0.00 H new ATOM 0 HB2 SER A 119 -29.111 23.785 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 119 -30.177 25.118 -9.069 1.00 0.00 H new ATOM 0 HG SER A 119 -27.955 25.609 -9.513 1.00 0.00 H new ATOM 1751 N GLY A 120 -31.813 23.404 -7.096 1.00 0.00 N ATOM 1752 CA GLY A 120 -33.232 23.104 -7.077 1.00 0.00 C ATOM 1753 C GLY A 120 -33.598 21.972 -8.017 1.00 0.00 C ATOM 1754 O GLY A 120 -34.476 22.121 -8.866 1.00 0.00 O ATOM 0 H GLY A 120 -31.207 22.600 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -33.531 22.841 -6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -33.793 23.997 -7.353 1.00 0.00 H new TER 1758 GLY A 120