USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 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 84 HIS :FLIP no HD1:sc= -1.04 F(o=-2.7,f=-1) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= 0.0231 X(o=-1.1,f=-1) USER MOD Set 2.1: A 25 TYR OH : rot 24:sc= 0.276 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.6! C(o=-1.4!,f=-8.6!) USER MOD Set 2.3: A 79 THR OG1 : rot 77:sc= 0.957 USER MOD Set 3.1: A 44 THR OG1 : rot 171:sc= 1.02 USER MOD Set 3.2: A 80 THR OG1 : rot -160:sc= 0 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -2.58! X(o=-3.2!,f=-3) USER MOD Set 4.2: A 117 GLN : amide:sc= -0.579 X(o=-3.2,f=-3.4) USER MOD Single : A 1 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.77) USER MOD Single : A 1 GLN N :NH3+ -161:sc= -0.198 (180deg=-0.661) USER MOD Single : A 3 ASN : amide:sc= -0.0159 X(o=-0.016,f=-0.0087) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -5:sc= 0.994 USER MOD Single : A 8 HIS : no HD1:sc= -0.797 X(o=-0.8,f=-0.68) USER MOD Single : A 11 THR OG1 : rot 62:sc= 1.13 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 91:sc= 0.296 USER MOD Single : A 30 MET CE :methyl 155:sc= -1.69 (180deg=-4.23!) USER MOD Single : A 36 THR OG1 : rot 45:sc= 1.41 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.0236 K(o=-0.024,f=-0.8) USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 17:sc= 0.519 USER MOD Single : A 54 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0648) USER MOD Single : A 59 ASN : amide:sc= 0.0538 K(o=0.054,f=-1.7) USER MOD Single : A 60 LYS NZ :NH3+ 170:sc= 0.292 (180deg=0.19) USER MOD Single : A 61 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.5!) USER MOD Single : A 63 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.1) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.0133 X(o=-0.013,f=-0.18) USER MOD Single : A 72 SER OG : rot 170:sc= 0.108 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 170:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.241 K(o=-0.24,f=-2.8!) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.166) USER MOD Single : A 87 SER OG : rot -92:sc= 0.664 USER MOD Single : A 94 TYR OH : rot -2:sc= 0.186 USER MOD Single : A 97 THR OG1 : rot -171:sc= 0.0354 USER MOD Single : A 102 ASN : amide:sc= 0.0636 K(o=0.064,f=-1.4!) USER MOD Single : A 109 ASN : amide:sc= -0.105 K(o=-0.11,f=-0.89) USER MOD Single : A 114 HIS : no HD1:sc= -1.86! C(o=-1.9!,f=-1.8!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.955 -4.520 -2.648 1.00 0.00 N ATOM 2 CA GLN A 1 7.423 -5.241 -1.470 1.00 0.00 C ATOM 3 C GLN A 1 6.357 -4.416 -0.841 1.00 0.00 C ATOM 4 O GLN A 1 6.465 -3.192 -0.786 1.00 0.00 O ATOM 5 CB GLN A 1 8.505 -5.465 -0.389 1.00 0.00 C ATOM 6 CG GLN A 1 9.548 -6.546 -0.722 1.00 0.00 C ATOM 7 CD GLN A 1 10.525 -6.072 -1.801 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.552 -6.610 -2.914 1.00 0.00 O ATOM 9 NE2 GLN A 1 11.348 -5.041 -1.442 1.00 0.00 N ATOM 0 H1 GLN A 1 8.449 -5.190 -3.271 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.170 -4.078 -3.168 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.620 -3.785 -2.334 1.00 0.00 H new ATOM 0 HA GLN A 1 7.055 -6.205 -1.821 1.00 0.00 H new ATOM 0 HB2 GLN A 1 9.024 -4.522 -0.216 1.00 0.00 H new ATOM 0 HB3 GLN A 1 8.012 -5.733 0.546 1.00 0.00 H new ATOM 0 HG2 GLN A 1 10.101 -6.809 0.180 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.041 -7.450 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 1 11.280 -4.636 -0.508 1.00 0.00 H new ATOM 0 HE22 GLN A 1 12.030 -4.677 -2.108 1.00 0.00 H new ATOM 20 N ASP A 2 5.308 -5.096 -0.330 1.00 0.00 N ATOM 21 CA ASP A 2 4.246 -4.460 0.395 1.00 0.00 C ATOM 22 C ASP A 2 4.388 -4.835 1.836 1.00 0.00 C ATOM 23 O ASP A 2 3.495 -5.422 2.446 1.00 0.00 O ATOM 24 CB ASP A 2 2.842 -4.803 -0.146 1.00 0.00 C ATOM 25 CG ASP A 2 2.772 -6.249 -0.629 1.00 0.00 C ATOM 26 OD1 ASP A 2 2.756 -7.182 0.218 1.00 0.00 O ATOM 27 OD2 ASP A 2 2.716 -6.437 -1.875 1.00 0.00 O ATOM 0 H ASP A 2 5.196 -6.106 -0.423 1.00 0.00 H new ATOM 0 HA ASP A 2 4.334 -3.381 0.268 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.099 -4.642 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.592 -4.131 -0.967 1.00 0.00 H new ATOM 32 N ASN A 3 5.546 -4.452 2.412 1.00 0.00 N ATOM 33 CA ASN A 3 5.822 -4.622 3.804 1.00 0.00 C ATOM 34 C ASN A 3 5.398 -3.350 4.460 1.00 0.00 C ATOM 35 O ASN A 3 5.107 -3.317 5.654 1.00 0.00 O ATOM 36 CB ASN A 3 7.316 -4.870 4.089 1.00 0.00 C ATOM 37 CG ASN A 3 7.550 -5.125 5.571 1.00 0.00 C ATOM 38 OD1 ASN A 3 8.160 -4.310 6.276 1.00 0.00 O ATOM 39 ND2 ASN A 3 7.063 -6.305 6.040 1.00 0.00 N ATOM 0 H ASN A 3 6.308 -4.013 1.894 1.00 0.00 H new ATOM 0 HA ASN A 3 5.291 -5.496 4.181 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.664 -5.725 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.900 -4.008 3.767 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.193 -6.557 7.020 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.568 -6.938 5.412 1.00 0.00 H new ATOM 46 N SER A 4 5.359 -2.261 3.663 1.00 0.00 N ATOM 47 CA SER A 4 5.060 -0.946 4.148 1.00 0.00 C ATOM 48 C SER A 4 3.588 -0.668 4.128 1.00 0.00 C ATOM 49 O SER A 4 3.180 0.419 4.522 1.00 0.00 O ATOM 50 CB SER A 4 5.745 0.151 3.322 1.00 0.00 C ATOM 51 OG SER A 4 7.146 -0.076 3.289 1.00 0.00 O ATOM 0 H SER A 4 5.539 -2.297 2.660 1.00 0.00 H new ATOM 0 HA SER A 4 5.436 -0.926 5.171 1.00 0.00 H new ATOM 0 HB2 SER A 4 5.345 0.159 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.536 1.129 3.755 1.00 0.00 H new ATOM 0 HG SER A 4 7.579 0.626 2.759 1.00 0.00 H new ATOM 57 N ARG A 5 2.752 -1.635 3.685 1.00 0.00 N ATOM 58 CA ARG A 5 1.324 -1.542 3.826 1.00 0.00 C ATOM 59 C ARG A 5 1.011 -1.646 5.278 1.00 0.00 C ATOM 60 O ARG A 5 0.315 -0.796 5.843 1.00 0.00 O ATOM 61 CB ARG A 5 0.581 -2.714 3.156 1.00 0.00 C ATOM 62 CG ARG A 5 0.225 -2.473 1.681 1.00 0.00 C ATOM 63 CD ARG A 5 -0.882 -1.431 1.473 1.00 0.00 C ATOM 64 NE ARG A 5 -2.109 -1.917 2.174 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.171 -1.089 2.402 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.156 0.197 1.947 1.00 0.00 N ATOM 67 NH2 ARG A 5 -4.256 -1.555 3.089 1.00 0.00 N ATOM 0 H ARG A 5 3.070 -2.488 3.225 1.00 0.00 H new ATOM 0 HA ARG A 5 1.010 -0.606 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.199 -3.609 3.227 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -0.335 -2.914 3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 5 1.120 -2.150 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.088 -3.416 1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.574 -0.463 1.869 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.080 -1.292 0.410 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.154 -2.886 2.488 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.348 0.546 1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.953 0.809 2.121 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -4.270 -2.517 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.052 -0.941 3.262 1.00 0.00 H new ATOM 81 N TYR A 6 1.553 -2.716 5.899 1.00 0.00 N ATOM 82 CA TYR A 6 1.442 -2.985 7.276 1.00 0.00 C ATOM 83 C TYR A 6 2.030 -1.926 8.125 1.00 0.00 C ATOM 84 O TYR A 6 1.347 -1.500 9.044 1.00 0.00 O ATOM 85 CB TYR A 6 2.184 -4.286 7.428 1.00 0.00 C ATOM 86 CG TYR A 6 2.736 -4.601 8.745 1.00 0.00 C ATOM 87 CD1 TYR A 6 1.960 -4.687 9.867 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.034 -5.044 8.765 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.452 -5.281 10.994 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.538 -5.639 9.897 1.00 0.00 C ATOM 91 CZ TYR A 6 3.746 -5.761 11.025 1.00 0.00 C ATOM 92 OH TYR A 6 4.242 -6.384 12.188 1.00 0.00 O ATOM 0 H TYR A 6 2.094 -3.421 5.399 1.00 0.00 H new ATOM 0 HA TYR A 6 0.403 -3.031 7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.508 -5.093 7.145 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.004 -4.291 6.710 1.00 0.00 H new ATOM 0 HD1 TYR A 6 0.958 -4.285 9.862 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.659 -4.925 7.892 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.824 -5.376 11.868 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.552 -6.011 9.906 1.00 0.00 H new ATOM 0 HH TYR A 6 5.169 -6.664 12.039 1.00 0.00 H new ATOM 102 N THR A 7 3.283 -1.491 7.887 1.00 0.00 N ATOM 103 CA THR A 7 3.852 -0.483 8.737 1.00 0.00 C ATOM 104 C THR A 7 3.622 0.949 8.272 1.00 0.00 C ATOM 105 O THR A 7 4.154 1.881 8.862 1.00 0.00 O ATOM 106 CB THR A 7 5.185 -0.890 9.345 1.00 0.00 C ATOM 107 OG1 THR A 7 5.866 0.159 10.020 1.00 0.00 O ATOM 108 CG2 THR A 7 6.111 -1.554 8.320 1.00 0.00 C ATOM 0 H THR A 7 3.886 -1.822 7.134 1.00 0.00 H new ATOM 0 HA THR A 7 3.251 -0.429 9.645 1.00 0.00 H new ATOM 0 HB THR A 7 4.920 -1.624 10.106 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.377 0.999 9.896 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.050 -1.827 8.801 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.633 -2.450 7.924 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.310 -0.858 7.505 1.00 0.00 H new ATOM 116 N HIS A 8 2.737 1.193 7.272 1.00 0.00 N ATOM 117 CA HIS A 8 2.100 2.490 7.150 1.00 0.00 C ATOM 118 C HIS A 8 0.945 2.539 8.098 1.00 0.00 C ATOM 119 O HIS A 8 0.699 3.570 8.736 1.00 0.00 O ATOM 120 CB HIS A 8 1.541 2.834 5.760 1.00 0.00 C ATOM 121 CG HIS A 8 2.618 3.212 4.790 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.366 3.440 3.466 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.942 3.417 4.986 1.00 0.00 C ATOM 124 CE1 HIS A 8 3.507 3.769 2.875 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.479 3.764 3.776 1.00 0.00 N ATOM 0 H HIS A 8 2.465 0.513 6.562 1.00 0.00 H new ATOM 0 HA HIS A 8 2.889 3.212 7.361 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.989 1.978 5.371 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.831 3.657 5.850 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.474 3.324 5.921 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.625 4.003 1.827 1.00 0.00 H new ATOM 0 HE2 HIS A 8 5.460 3.982 3.598 1.00 0.00 H new ATOM 134 N PHE A 9 0.238 1.387 8.210 1.00 0.00 N ATOM 135 CA PHE A 9 -0.756 1.145 9.229 1.00 0.00 C ATOM 136 C PHE A 9 -0.129 1.295 10.599 1.00 0.00 C ATOM 137 O PHE A 9 -0.744 1.895 11.473 1.00 0.00 O ATOM 138 CB PHE A 9 -1.501 -0.206 9.031 1.00 0.00 C ATOM 139 CG PHE A 9 -1.990 -0.858 10.291 1.00 0.00 C ATOM 140 CD1 PHE A 9 -3.014 -0.285 11.027 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.503 -2.100 10.681 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.481 -0.899 12.168 1.00 0.00 C ATOM 143 CE2 PHE A 9 -2.046 -2.752 11.770 1.00 0.00 C ATOM 144 CZ PHE A 9 -3.012 -2.139 12.533 1.00 0.00 C ATOM 0 H PHE A 9 0.361 0.600 7.573 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.538 1.899 9.139 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.354 -0.039 8.373 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.834 -0.899 8.518 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.449 0.649 10.704 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.695 -2.558 10.129 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.220 -0.403 12.780 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.711 -3.747 12.024 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.400 -2.629 13.414 1.00 0.00 H new ATOM 154 N LEU A 10 1.108 0.791 10.818 1.00 0.00 N ATOM 155 CA LEU A 10 1.804 0.918 12.073 1.00 0.00 C ATOM 156 C LEU A 10 2.555 2.215 12.225 1.00 0.00 C ATOM 157 O LEU A 10 2.965 2.519 13.340 1.00 0.00 O ATOM 158 CB LEU A 10 2.795 -0.225 12.350 1.00 0.00 C ATOM 159 CG LEU A 10 2.161 -1.632 12.362 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.136 -2.657 12.935 1.00 0.00 C ATOM 161 CD2 LEU A 10 0.846 -1.758 13.141 1.00 0.00 C ATOM 0 H LEU A 10 1.636 0.284 10.108 1.00 0.00 H new ATOM 0 HA LEU A 10 0.992 0.882 12.799 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.580 -0.200 11.594 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.275 -0.048 13.313 1.00 0.00 H new ATOM 0 HG LEU A 10 1.931 -1.821 11.313 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.670 -3.642 12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.038 -2.682 12.324 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.397 -2.379 13.956 1.00 0.00 H new ATOM 0 HD21 LEU A 10 0.487 -2.786 13.085 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.014 -1.488 14.184 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.101 -1.090 12.708 1.00 0.00 H new ATOM 173 N THR A 11 2.755 3.028 11.158 1.00 0.00 N ATOM 174 CA THR A 11 3.245 4.376 11.351 1.00 0.00 C ATOM 175 C THR A 11 2.204 5.145 12.090 1.00 0.00 C ATOM 176 O THR A 11 2.500 5.764 13.112 1.00 0.00 O ATOM 177 CB THR A 11 3.629 5.131 10.091 1.00 0.00 C ATOM 178 OG1 THR A 11 4.772 4.525 9.512 1.00 0.00 O ATOM 179 CG2 THR A 11 3.992 6.602 10.387 1.00 0.00 C ATOM 0 H THR A 11 2.584 2.765 10.188 1.00 0.00 H new ATOM 0 HA THR A 11 4.178 4.279 11.907 1.00 0.00 H new ATOM 0 HB THR A 11 2.769 5.100 9.422 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.563 3.600 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.260 7.105 9.458 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.136 7.104 10.837 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.836 6.637 11.075 1.00 0.00 H new ATOM 187 N GLN A 12 0.966 5.111 11.570 1.00 0.00 N ATOM 188 CA GLN A 12 -0.076 5.913 12.135 1.00 0.00 C ATOM 189 C GLN A 12 -0.684 5.352 13.376 1.00 0.00 C ATOM 190 O GLN A 12 -1.141 6.132 14.206 1.00 0.00 O ATOM 191 CB GLN A 12 -1.118 6.345 11.087 1.00 0.00 C ATOM 192 CG GLN A 12 -2.065 5.256 10.591 1.00 0.00 C ATOM 193 CD GLN A 12 -2.903 5.844 9.457 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.732 5.483 8.287 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.830 6.775 9.836 1.00 0.00 N ATOM 0 H GLN A 12 0.687 4.540 10.772 1.00 0.00 H new ATOM 0 HA GLN A 12 0.419 6.824 12.473 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.716 7.152 11.510 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.589 6.757 10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.502 4.391 10.240 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.708 4.911 11.401 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.923 7.031 10.819 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.428 7.213 9.136 1.00 0.00 H new ATOM 204 N HIS A 13 -0.695 4.016 13.553 1.00 0.00 N ATOM 205 CA HIS A 13 -1.271 3.431 14.712 1.00 0.00 C ATOM 206 C HIS A 13 -0.219 3.064 15.703 1.00 0.00 C ATOM 207 O HIS A 13 -0.329 3.463 16.851 1.00 0.00 O ATOM 208 CB HIS A 13 -2.114 2.205 14.374 1.00 0.00 C ATOM 209 CG HIS A 13 -3.350 2.607 13.632 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.535 2.878 14.259 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.514 2.904 12.327 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.399 3.311 13.352 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.805 3.331 12.167 1.00 0.00 N ATOM 0 H HIS A 13 -0.303 3.347 12.890 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.928 4.182 15.151 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.530 1.510 13.770 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.387 1.680 15.290 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.722 2.766 15.255 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.766 2.821 11.552 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.421 3.601 13.547 1.00 0.00 H new ATOM 222 N TYR A 14 0.815 2.283 15.338 1.00 0.00 N ATOM 223 CA TYR A 14 1.649 1.692 16.350 1.00 0.00 C ATOM 224 C TYR A 14 2.549 2.710 16.983 1.00 0.00 C ATOM 225 O TYR A 14 3.185 3.514 16.304 1.00 0.00 O ATOM 226 CB TYR A 14 2.550 0.613 15.757 1.00 0.00 C ATOM 227 CG TYR A 14 3.240 -0.196 16.771 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.615 -1.298 17.303 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.559 0.072 17.065 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.313 -2.128 18.158 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.231 -0.711 17.969 1.00 0.00 C ATOM 232 CZ TYR A 14 4.600 -1.791 18.537 1.00 0.00 C ATOM 233 OH TYR A 14 5.341 -2.590 19.425 1.00 0.00 O ATOM 0 H TYR A 14 1.072 2.063 14.376 1.00 0.00 H new ATOM 0 HA TYR A 14 0.972 1.268 17.092 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.951 -0.043 15.126 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.292 1.084 15.113 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.586 -1.513 17.055 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.063 0.897 16.584 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.857 -3.034 18.528 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.252 -0.479 18.233 1.00 0.00 H new ATOM 0 HH TYR A 14 6.223 -2.188 19.568 1.00 0.00 H new ATOM 243 N ASP A 15 2.617 2.658 18.326 1.00 0.00 N ATOM 244 CA ASP A 15 3.517 3.469 19.078 1.00 0.00 C ATOM 245 C ASP A 15 3.811 2.625 20.267 1.00 0.00 C ATOM 246 O ASP A 15 2.992 2.560 21.176 1.00 0.00 O ATOM 247 CB ASP A 15 2.896 4.800 19.534 1.00 0.00 C ATOM 248 CG ASP A 15 3.896 5.500 20.448 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.031 5.791 19.984 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.530 5.766 21.623 1.00 0.00 O ATOM 0 H ASP A 15 2.037 2.042 18.896 1.00 0.00 H new ATOM 0 HA ASP A 15 4.388 3.751 18.487 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.664 5.427 18.673 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.958 4.622 20.061 1.00 0.00 H new ATOM 255 N ALA A 16 4.983 1.948 20.232 1.00 0.00 N ATOM 256 CA ALA A 16 5.418 0.868 21.097 1.00 0.00 C ATOM 257 C ALA A 16 5.073 0.953 22.542 1.00 0.00 C ATOM 258 O ALA A 16 4.551 -0.005 23.105 1.00 0.00 O ATOM 259 CB ALA A 16 6.925 0.599 21.039 1.00 0.00 C ATOM 0 H ALA A 16 5.693 2.175 19.536 1.00 0.00 H new ATOM 0 HA ALA A 16 4.833 0.058 20.661 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.174 -0.221 21.712 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.208 0.332 20.021 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.466 1.495 21.343 1.00 0.00 H new ATOM 265 N LYS A 17 5.375 2.092 23.183 1.00 0.00 N ATOM 266 CA LYS A 17 4.857 2.368 24.494 1.00 0.00 C ATOM 267 C LYS A 17 4.574 3.843 24.485 1.00 0.00 C ATOM 268 O LYS A 17 5.321 4.577 23.839 1.00 0.00 O ATOM 269 CB LYS A 17 5.834 2.134 25.675 1.00 0.00 C ATOM 270 CG LYS A 17 6.097 0.662 26.038 1.00 0.00 C ATOM 271 CD LYS A 17 7.302 0.032 25.324 1.00 0.00 C ATOM 272 CE LYS A 17 7.389 -1.481 25.543 1.00 0.00 C ATOM 273 NZ LYS A 17 8.531 -2.043 24.790 1.00 0.00 N ATOM 0 H LYS A 17 5.975 2.823 22.801 1.00 0.00 H new ATOM 0 HA LYS A 17 4.014 1.697 24.659 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.787 2.606 25.434 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.440 2.642 26.555 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.251 0.589 27.115 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.207 0.079 25.803 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.235 0.238 24.256 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.218 0.501 25.682 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.504 -1.696 26.605 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.463 -1.956 25.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.579 -3.070 24.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.405 -1.854 23.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.414 -1.601 25.117 1.00 0.00 H new ATOM 287 N PRO A 18 3.553 4.328 25.178 1.00 0.00 N ATOM 288 CA PRO A 18 3.238 5.731 25.235 1.00 0.00 C ATOM 289 C PRO A 18 4.130 6.383 26.253 1.00 0.00 C ATOM 290 O PRO A 18 4.828 5.691 26.995 1.00 0.00 O ATOM 291 CB PRO A 18 1.785 5.764 25.733 1.00 0.00 C ATOM 292 CG PRO A 18 1.593 4.438 26.462 1.00 0.00 C ATOM 293 CD PRO A 18 2.418 3.527 25.579 1.00 0.00 C ATOM 0 HA PRO A 18 3.370 6.245 24.283 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.614 6.610 26.399 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.085 5.865 24.904 1.00 0.00 H new ATOM 0 HG2 PRO A 18 1.962 4.470 27.487 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.547 4.136 26.509 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.735 2.634 26.118 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.846 3.191 24.714 1.00 0.00 H new ATOM 301 N GLN A 19 4.078 7.733 26.302 1.00 0.00 N ATOM 302 CA GLN A 19 4.713 8.531 27.310 1.00 0.00 C ATOM 303 C GLN A 19 3.967 8.301 28.587 1.00 0.00 C ATOM 304 O GLN A 19 4.395 7.536 29.449 1.00 0.00 O ATOM 305 CB GLN A 19 4.659 10.030 26.956 1.00 0.00 C ATOM 306 CG GLN A 19 5.494 10.395 25.723 1.00 0.00 C ATOM 307 CD GLN A 19 5.214 11.857 25.376 1.00 0.00 C ATOM 308 OE1 GLN A 19 4.655 12.162 24.315 1.00 0.00 O ATOM 309 NE2 GLN A 19 5.616 12.776 26.305 1.00 0.00 N ATOM 0 H GLN A 19 3.573 8.288 25.611 1.00 0.00 H new ATOM 0 HA GLN A 19 5.762 8.249 27.395 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.622 10.317 26.781 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.011 10.610 27.809 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.555 10.248 25.925 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.237 9.749 24.884 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.073 12.467 27.163 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.459 13.770 26.140 1.00 0.00 H new ATOM 318 N GLY A 20 2.801 8.958 28.697 1.00 0.00 N ATOM 319 CA GLY A 20 1.771 8.553 29.602 1.00 0.00 C ATOM 320 C GLY A 20 0.628 8.378 28.686 1.00 0.00 C ATOM 321 O GLY A 20 0.763 8.578 27.485 1.00 0.00 O ATOM 0 H GLY A 20 2.568 9.786 28.148 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.023 7.630 30.124 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.574 9.307 30.364 1.00 0.00 H new ATOM 325 N ARG A 21 -0.532 8.012 29.246 1.00 0.00 N ATOM 326 CA ARG A 21 -1.717 7.824 28.458 1.00 0.00 C ATOM 327 C ARG A 21 -2.643 8.937 28.804 1.00 0.00 C ATOM 328 O ARG A 21 -3.623 8.752 29.523 1.00 0.00 O ATOM 329 CB ARG A 21 -2.391 6.457 28.669 1.00 0.00 C ATOM 330 CG ARG A 21 -1.542 5.322 28.078 1.00 0.00 C ATOM 331 CD ARG A 21 -2.206 3.942 28.125 1.00 0.00 C ATOM 332 NE ARG A 21 -1.963 3.387 29.488 1.00 0.00 N ATOM 333 CZ ARG A 21 -2.897 2.679 30.193 1.00 0.00 C ATOM 334 NH1 ARG A 21 -4.124 2.406 29.668 1.00 0.00 N ATOM 335 NH2 ARG A 21 -2.581 2.212 31.439 1.00 0.00 N ATOM 0 H ARG A 21 -0.657 7.844 30.244 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.447 7.835 27.402 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.543 6.284 29.734 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.376 6.458 28.203 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.307 5.563 27.041 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.596 5.275 28.617 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.275 4.021 27.926 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.787 3.286 27.361 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.051 3.544 29.917 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.362 2.731 28.731 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -4.805 1.876 30.212 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.658 2.393 31.832 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.269 1.683 31.975 1.00 0.00 H new ATOM 349 N ASP A 22 -2.312 10.138 28.284 1.00 0.00 N ATOM 350 CA ASP A 22 -3.035 11.337 28.578 1.00 0.00 C ATOM 351 C ASP A 22 -3.219 12.069 27.290 1.00 0.00 C ATOM 352 O ASP A 22 -2.679 11.678 26.256 1.00 0.00 O ATOM 353 CB ASP A 22 -2.345 12.255 29.615 1.00 0.00 C ATOM 354 CG ASP A 22 -0.986 12.759 29.130 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.050 11.932 28.972 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.861 13.999 28.943 1.00 0.00 O ATOM 0 H ASP A 22 -1.527 10.276 27.648 1.00 0.00 H new ATOM 0 HA ASP A 22 -3.984 11.056 29.034 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.991 13.107 29.829 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.215 11.710 30.550 1.00 0.00 H new ATOM 361 N ASP A 23 -4.009 13.161 27.343 1.00 0.00 N ATOM 362 CA ASP A 23 -4.471 13.872 26.184 1.00 0.00 C ATOM 363 C ASP A 23 -3.401 14.697 25.530 1.00 0.00 C ATOM 364 O ASP A 23 -3.522 15.020 24.349 1.00 0.00 O ATOM 365 CB ASP A 23 -5.686 14.780 26.475 1.00 0.00 C ATOM 366 CG ASP A 23 -5.338 15.901 27.453 1.00 0.00 C ATOM 367 OD1 ASP A 23 -5.084 15.604 28.650 1.00 0.00 O ATOM 368 OD2 ASP A 23 -5.350 17.082 27.012 1.00 0.00 O ATOM 0 H ASP A 23 -4.337 13.563 28.221 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.775 13.083 25.496 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.048 15.212 25.542 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.498 14.180 26.885 1.00 0.00 H new ATOM 373 N ARG A 24 -2.328 15.043 26.278 1.00 0.00 N ATOM 374 CA ARG A 24 -1.235 15.802 25.743 1.00 0.00 C ATOM 375 C ARG A 24 -0.192 14.851 25.228 1.00 0.00 C ATOM 376 O ARG A 24 0.678 15.262 24.464 1.00 0.00 O ATOM 377 CB ARG A 24 -0.639 16.799 26.761 1.00 0.00 C ATOM 378 CG ARG A 24 -0.213 18.152 26.154 1.00 0.00 C ATOM 379 CD ARG A 24 1.239 18.234 25.663 1.00 0.00 C ATOM 380 NE ARG A 24 1.449 19.566 25.018 1.00 0.00 N ATOM 381 CZ ARG A 24 1.326 19.754 23.668 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.968 18.730 22.841 1.00 0.00 N ATOM 383 NH2 ARG A 24 1.561 20.991 23.138 1.00 0.00 N ATOM 0 H ARG A 24 -2.220 14.793 27.261 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.612 16.415 24.925 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.374 16.982 27.545 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.227 16.339 27.237 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.873 18.378 25.317 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.369 18.930 26.902 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.928 18.105 26.497 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.444 17.433 24.953 1.00 0.00 H new ATOM 0 HE ARG A 24 1.693 20.364 25.605 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.786 17.803 23.226 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.882 18.891 21.838 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.826 21.765 23.747 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.472 21.141 22.133 1.00 0.00 H new ATOM 397 N TYR A 25 -0.275 13.543 25.592 1.00 0.00 N ATOM 398 CA TYR A 25 0.553 12.551 24.957 1.00 0.00 C ATOM 399 C TYR A 25 -0.018 12.367 23.601 1.00 0.00 C ATOM 400 O TYR A 25 0.745 12.261 22.642 1.00 0.00 O ATOM 401 CB TYR A 25 0.626 11.178 25.674 1.00 0.00 C ATOM 402 CG TYR A 25 0.680 9.999 24.726 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.818 9.656 24.004 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.447 9.201 24.591 1.00 0.00 C ATOM 405 CE1 TYR A 25 1.801 8.590 23.126 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.464 8.139 23.712 1.00 0.00 C ATOM 407 CZ TYR A 25 0.657 7.838 22.970 1.00 0.00 C ATOM 408 OH TYR A 25 0.632 6.762 22.061 1.00 0.00 O ATOM 0 H TYR A 25 -0.903 13.182 26.311 1.00 0.00 H new ATOM 0 HA TYR A 25 1.581 12.912 24.969 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.508 11.159 26.314 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.242 11.071 26.324 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.724 10.229 24.131 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.324 9.415 25.183 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.687 8.345 22.560 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.358 7.542 23.605 1.00 0.00 H new ATOM 0 HH TYR A 25 1.545 6.438 21.913 1.00 0.00 H new ATOM 418 N CYS A 26 -1.366 12.323 23.494 1.00 0.00 N ATOM 419 CA CYS A 26 -1.957 12.036 22.227 1.00 0.00 C ATOM 420 C CYS A 26 -1.939 13.205 21.294 1.00 0.00 C ATOM 421 O CYS A 26 -1.928 13.022 20.079 1.00 0.00 O ATOM 422 CB CYS A 26 -3.328 11.383 22.240 1.00 0.00 C ATOM 423 SG CYS A 26 -3.302 10.258 20.825 1.00 0.00 S ATOM 0 H CYS A 26 -2.022 12.481 24.259 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.290 11.263 21.846 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.504 10.846 23.172 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.122 12.124 22.145 1.00 0.00 H new ATOM 428 N GLU A 27 -1.897 14.436 21.843 1.00 0.00 N ATOM 429 CA GLU A 27 -1.740 15.619 21.047 1.00 0.00 C ATOM 430 C GLU A 27 -0.343 15.684 20.495 1.00 0.00 C ATOM 431 O GLU A 27 -0.163 16.064 19.337 1.00 0.00 O ATOM 432 CB GLU A 27 -2.065 16.904 21.831 1.00 0.00 C ATOM 433 CG GLU A 27 -2.229 18.146 20.947 1.00 0.00 C ATOM 434 CD GLU A 27 -2.653 19.307 21.835 1.00 0.00 C ATOM 435 OE1 GLU A 27 -3.730 19.199 22.481 1.00 0.00 O ATOM 436 OE2 GLU A 27 -1.906 20.321 21.876 1.00 0.00 O ATOM 0 H GLU A 27 -1.972 14.613 22.845 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.456 15.557 20.227 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.983 16.750 22.398 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.271 17.087 22.555 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.293 18.378 20.439 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.975 17.966 20.173 1.00 0.00 H new ATOM 443 N SER A 28 0.671 15.299 21.308 1.00 0.00 N ATOM 444 CA SER A 28 2.045 15.318 20.904 1.00 0.00 C ATOM 445 C SER A 28 2.393 14.282 19.884 1.00 0.00 C ATOM 446 O SER A 28 3.261 14.536 19.057 1.00 0.00 O ATOM 447 CB SER A 28 3.014 15.101 22.072 1.00 0.00 C ATOM 448 OG SER A 28 3.032 16.237 22.921 1.00 0.00 O ATOM 0 H SER A 28 0.528 14.969 22.263 1.00 0.00 H new ATOM 0 HA SER A 28 2.156 16.315 20.479 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.716 14.220 22.640 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.017 14.910 21.690 1.00 0.00 H new ATOM 0 HG SER A 28 2.356 16.132 23.623 1.00 0.00 H new ATOM 454 N ILE A 29 1.749 13.097 19.920 1.00 0.00 N ATOM 455 CA ILE A 29 2.093 12.029 19.013 1.00 0.00 C ATOM 456 C ILE A 29 1.366 12.190 17.723 1.00 0.00 C ATOM 457 O ILE A 29 1.878 11.791 16.681 1.00 0.00 O ATOM 458 CB ILE A 29 1.942 10.615 19.549 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.482 9.577 18.553 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.482 10.311 19.910 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.678 8.214 19.176 1.00 0.00 C ATOM 0 H ILE A 29 0.995 12.875 20.570 1.00 0.00 H new ATOM 0 HA ILE A 29 3.167 12.136 18.863 1.00 0.00 H new ATOM 0 HB ILE A 29 2.537 10.547 20.459 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.792 9.492 17.714 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.432 9.927 18.150 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.406 9.292 20.290 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.143 11.010 20.674 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.141 10.414 19.022 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.061 7.523 18.425 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.390 8.289 19.998 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.724 7.847 19.555 1.00 0.00 H new ATOM 473 N MET A 30 0.163 12.791 17.745 1.00 0.00 N ATOM 474 CA MET A 30 -0.561 13.004 16.530 1.00 0.00 C ATOM 475 C MET A 30 0.107 14.079 15.738 1.00 0.00 C ATOM 476 O MET A 30 0.126 14.016 14.513 1.00 0.00 O ATOM 477 CB MET A 30 -1.995 13.439 16.797 1.00 0.00 C ATOM 478 CG MET A 30 -2.890 12.262 17.210 1.00 0.00 C ATOM 479 SD MET A 30 -3.868 11.597 15.840 1.00 0.00 S ATOM 480 CE MET A 30 -5.172 10.871 16.870 1.00 0.00 C ATOM 0 H MET A 30 -0.303 13.125 18.589 1.00 0.00 H new ATOM 0 HA MET A 30 -0.574 12.060 15.985 1.00 0.00 H new ATOM 0 HB2 MET A 30 -2.004 14.193 17.584 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.404 13.907 15.902 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.268 11.468 17.623 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.562 12.586 18.004 1.00 0.00 H new ATOM 0 HE1 MET A 30 -6.092 10.793 16.291 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.865 9.878 17.200 1.00 0.00 H new ATOM 0 HE3 MET A 30 -5.344 11.505 17.740 1.00 0.00 H new ATOM 490 N ARG A 31 0.674 15.077 16.442 1.00 0.00 N ATOM 491 CA ARG A 31 1.471 16.121 15.865 1.00 0.00 C ATOM 492 C ARG A 31 2.782 15.630 15.296 1.00 0.00 C ATOM 493 O ARG A 31 3.152 16.033 14.194 1.00 0.00 O ATOM 494 CB ARG A 31 1.733 17.224 16.902 1.00 0.00 C ATOM 495 CG ARG A 31 2.547 18.421 16.399 1.00 0.00 C ATOM 496 CD ARG A 31 2.378 19.651 17.300 1.00 0.00 C ATOM 497 NE ARG A 31 2.557 19.247 18.732 1.00 0.00 N ATOM 498 CZ ARG A 31 3.785 19.149 19.325 1.00 0.00 C ATOM 499 NH1 ARG A 31 4.924 19.426 18.630 1.00 0.00 N ATOM 500 NH2 ARG A 31 3.868 18.759 20.632 1.00 0.00 N ATOM 0 H ARG A 31 0.574 15.161 17.454 1.00 0.00 H new ATOM 0 HA ARG A 31 0.896 16.520 15.030 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.774 17.588 17.270 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.254 16.783 17.752 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.601 18.148 16.352 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.237 18.670 15.384 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.108 20.415 17.032 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.390 20.089 17.155 1.00 0.00 H new ATOM 0 HE ARG A 31 1.728 19.036 19.288 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.868 19.711 17.652 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.832 19.348 19.087 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.019 18.544 21.155 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.779 18.682 21.085 1.00 0.00 H new ATOM 514 N ARG A 32 3.527 14.778 16.039 1.00 0.00 N ATOM 515 CA ARG A 32 4.883 14.428 15.689 1.00 0.00 C ATOM 516 C ARG A 32 4.962 13.327 14.676 1.00 0.00 C ATOM 517 O ARG A 32 5.887 13.318 13.864 1.00 0.00 O ATOM 518 CB ARG A 32 5.736 13.997 16.892 1.00 0.00 C ATOM 519 CG ARG A 32 6.145 15.185 17.776 1.00 0.00 C ATOM 520 CD ARG A 32 6.821 14.762 19.086 1.00 0.00 C ATOM 521 NE ARG A 32 8.042 13.956 18.769 1.00 0.00 N ATOM 522 CZ ARG A 32 9.269 14.529 18.579 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.435 15.880 18.667 1.00 0.00 N ATOM 524 NH2 ARG A 32 10.343 13.735 18.291 1.00 0.00 N ATOM 0 H ARG A 32 3.188 14.328 16.889 1.00 0.00 H new ATOM 0 HA ARG A 32 5.280 15.353 15.271 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.177 13.278 17.491 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.631 13.488 16.535 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.824 15.829 17.216 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.260 15.779 18.007 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.092 15.641 19.670 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.131 14.176 19.693 1.00 0.00 H new ATOM 0 HE ARG A 32 7.956 12.943 18.692 1.00 0.00 H new ATOM 0 HH11 ARG A 32 8.637 16.479 18.877 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.357 16.291 18.522 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.225 12.724 18.219 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.262 14.153 18.148 1.00 0.00 H new ATOM 538 N ARG A 33 3.997 12.376 14.697 1.00 0.00 N ATOM 539 CA ARG A 33 3.885 11.362 13.678 1.00 0.00 C ATOM 540 C ARG A 33 3.325 12.022 12.455 1.00 0.00 C ATOM 541 O ARG A 33 3.743 11.735 11.334 1.00 0.00 O ATOM 542 CB ARG A 33 2.963 10.186 14.066 1.00 0.00 C ATOM 543 CG ARG A 33 3.521 9.283 15.171 1.00 0.00 C ATOM 544 CD ARG A 33 4.615 8.319 14.723 1.00 0.00 C ATOM 545 NE ARG A 33 4.926 7.470 15.910 1.00 0.00 N ATOM 546 CZ ARG A 33 5.477 6.228 15.769 1.00 0.00 C ATOM 547 NH1 ARG A 33 5.752 5.723 14.531 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.759 5.485 16.878 1.00 0.00 N ATOM 0 H ARG A 33 3.288 12.310 15.427 1.00 0.00 H new ATOM 0 HA ARG A 33 4.877 10.938 13.521 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.002 10.585 14.390 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.774 9.581 13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.916 9.912 15.969 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.700 8.706 15.597 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.278 7.709 13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.500 8.861 14.388 1.00 0.00 H new ATOM 0 HE ARG A 33 4.723 7.824 16.845 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.546 6.274 13.698 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.163 4.794 14.439 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.558 5.858 17.806 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.170 4.557 16.779 1.00 0.00 H new ATOM 562 N GLY A 34 2.381 12.952 12.680 1.00 0.00 N ATOM 563 CA GLY A 34 1.872 13.850 11.686 1.00 0.00 C ATOM 564 C GLY A 34 0.808 13.198 10.900 1.00 0.00 C ATOM 565 O GLY A 34 0.938 12.941 9.705 1.00 0.00 O ATOM 0 H GLY A 34 1.952 13.086 13.596 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.481 14.748 12.164 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.679 14.166 11.025 1.00 0.00 H new ATOM 569 N LEU A 35 -0.307 12.979 11.606 1.00 0.00 N ATOM 570 CA LEU A 35 -1.568 12.695 11.013 1.00 0.00 C ATOM 571 C LEU A 35 -2.462 13.679 11.683 1.00 0.00 C ATOM 572 O LEU A 35 -3.669 13.502 11.840 1.00 0.00 O ATOM 573 CB LEU A 35 -2.008 11.250 11.210 1.00 0.00 C ATOM 574 CG LEU A 35 -1.636 10.624 12.571 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.869 9.875 13.063 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.381 9.739 12.499 1.00 0.00 C ATOM 0 H LEU A 35 -0.332 13.000 12.625 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.565 12.791 9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.090 11.198 11.089 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.569 10.643 10.418 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.361 11.402 13.283 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.654 9.413 14.027 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.699 10.573 13.172 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.137 9.102 12.342 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.169 9.327 13.486 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.550 8.925 11.794 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.467 10.337 12.166 1.00 0.00 H new ATOM 588 N THR A 36 -1.797 14.794 12.040 1.00 0.00 N ATOM 589 CA THR A 36 -2.387 16.017 12.520 1.00 0.00 C ATOM 590 C THR A 36 -2.866 16.845 11.361 1.00 0.00 C ATOM 591 O THR A 36 -3.620 17.796 11.558 1.00 0.00 O ATOM 592 CB THR A 36 -1.427 16.846 13.364 1.00 0.00 C ATOM 593 OG1 THR A 36 -2.046 17.999 13.910 1.00 0.00 O ATOM 594 CG2 THR A 36 -0.170 17.290 12.586 1.00 0.00 C ATOM 0 H THR A 36 -0.780 14.849 11.992 1.00 0.00 H new ATOM 0 HA THR A 36 -3.223 15.732 13.158 1.00 0.00 H new ATOM 0 HB THR A 36 -1.125 16.179 14.171 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.922 17.757 14.278 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.475 17.877 13.241 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.371 16.411 12.237 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.467 17.897 11.731 1.00 0.00 H new ATOM 602 N SER A 37 -2.447 16.501 10.122 1.00 0.00 N ATOM 603 CA SER A 37 -2.797 17.277 8.961 1.00 0.00 C ATOM 604 C SER A 37 -3.565 16.408 8.006 1.00 0.00 C ATOM 605 O SER A 37 -2.944 15.565 7.360 1.00 0.00 O ATOM 606 CB SER A 37 -1.556 17.803 8.221 1.00 0.00 C ATOM 607 OG SER A 37 -1.950 18.566 7.090 1.00 0.00 O ATOM 0 H SER A 37 -1.866 15.686 9.924 1.00 0.00 H new ATOM 0 HA SER A 37 -3.388 18.127 9.301 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.955 18.417 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.930 16.968 7.906 1.00 0.00 H new ATOM 0 HG SER A 37 -1.153 18.898 6.626 1.00 0.00 H new ATOM 613 N PRO A 38 -4.876 16.546 7.822 1.00 0.00 N ATOM 614 CA PRO A 38 -5.837 17.141 8.721 1.00 0.00 C ATOM 615 C PRO A 38 -6.040 16.171 9.851 1.00 0.00 C ATOM 616 O PRO A 38 -5.667 15.004 9.716 1.00 0.00 O ATOM 617 CB PRO A 38 -7.112 17.248 7.884 1.00 0.00 C ATOM 618 CG PRO A 38 -7.009 16.099 6.876 1.00 0.00 C ATOM 619 CD PRO A 38 -5.501 15.965 6.650 1.00 0.00 C ATOM 0 HA PRO A 38 -5.540 18.107 9.130 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.003 17.152 8.505 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.176 18.213 7.381 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.440 15.179 7.269 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.536 16.328 5.950 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.214 14.920 6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.193 16.486 5.743 1.00 0.00 H new ATOM 627 N CYS A 39 -6.615 16.661 10.977 1.00 0.00 N ATOM 628 CA CYS A 39 -6.779 15.914 12.184 1.00 0.00 C ATOM 629 C CYS A 39 -7.642 14.720 11.950 1.00 0.00 C ATOM 630 O CYS A 39 -8.783 14.835 11.500 1.00 0.00 O ATOM 631 CB CYS A 39 -7.461 16.758 13.266 1.00 0.00 C ATOM 632 SG CYS A 39 -6.521 18.260 13.638 1.00 0.00 S ATOM 0 H CYS A 39 -6.976 17.613 11.041 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.782 15.614 12.508 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.464 17.029 12.937 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.572 16.165 14.174 1.00 0.00 H new ATOM 637 N LYS A 40 -7.060 13.541 12.253 1.00 0.00 N ATOM 638 CA LYS A 40 -7.683 12.265 12.084 1.00 0.00 C ATOM 639 C LYS A 40 -8.719 12.155 13.154 1.00 0.00 C ATOM 640 O LYS A 40 -8.462 12.500 14.305 1.00 0.00 O ATOM 641 CB LYS A 40 -6.650 11.124 12.219 1.00 0.00 C ATOM 642 CG LYS A 40 -7.170 9.710 11.917 1.00 0.00 C ATOM 643 CD LYS A 40 -7.663 9.500 10.481 1.00 0.00 C ATOM 644 CE LYS A 40 -8.111 8.057 10.230 1.00 0.00 C ATOM 645 NZ LYS A 40 -8.597 7.904 8.842 1.00 0.00 N ATOM 0 H LYS A 40 -6.115 13.478 12.632 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.125 12.179 11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.816 11.334 11.550 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.255 11.136 13.235 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.374 8.994 12.121 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.986 9.484 12.603 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.494 10.177 10.281 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.866 9.758 9.783 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.280 7.375 10.409 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.901 7.787 10.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.898 6.921 8.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.403 8.542 8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.832 8.142 8.178 1.00 0.00 H new ATOM 659 N ASP A 41 -9.926 11.691 12.764 1.00 0.00 N ATOM 660 CA ASP A 41 -11.087 11.718 13.608 1.00 0.00 C ATOM 661 C ASP A 41 -10.994 10.706 14.701 1.00 0.00 C ATOM 662 O ASP A 41 -11.398 10.984 15.829 1.00 0.00 O ATOM 663 CB ASP A 41 -12.388 11.449 12.838 1.00 0.00 C ATOM 664 CG ASP A 41 -12.502 12.500 11.744 1.00 0.00 C ATOM 665 OD1 ASP A 41 -12.562 13.711 12.087 1.00 0.00 O ATOM 666 OD2 ASP A 41 -12.527 12.105 10.548 1.00 0.00 O ATOM 0 H ASP A 41 -10.098 11.289 11.843 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.114 12.726 14.021 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.378 10.448 12.407 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -13.246 11.499 13.508 1.00 0.00 H new ATOM 671 N ILE A 42 -10.460 9.507 14.394 1.00 0.00 N ATOM 672 CA ILE A 42 -10.191 8.551 15.425 1.00 0.00 C ATOM 673 C ILE A 42 -8.934 7.862 15.013 1.00 0.00 C ATOM 674 O ILE A 42 -8.807 7.385 13.887 1.00 0.00 O ATOM 675 CB ILE A 42 -11.356 7.601 15.711 1.00 0.00 C ATOM 676 CG1 ILE A 42 -11.149 6.775 17.007 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.755 6.752 14.481 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.529 5.385 16.828 1.00 0.00 C ATOM 0 H ILE A 42 -10.219 9.204 13.450 1.00 0.00 H new ATOM 0 HA ILE A 42 -10.064 9.045 16.388 1.00 0.00 H new ATOM 0 HB ILE A 42 -12.224 8.229 15.910 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.515 7.349 17.682 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -12.115 6.659 17.498 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.586 6.098 14.745 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -12.056 7.411 13.666 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.904 6.148 14.164 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.432 4.902 17.800 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.169 4.781 16.185 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.544 5.482 16.372 1.00 0.00 H new ATOM 690 N ASN A 43 -7.963 7.802 15.945 1.00 0.00 N ATOM 691 CA ASN A 43 -6.792 7.002 15.713 1.00 0.00 C ATOM 692 C ASN A 43 -6.389 6.433 17.026 1.00 0.00 C ATOM 693 O ASN A 43 -6.092 7.158 17.974 1.00 0.00 O ATOM 694 CB ASN A 43 -5.601 7.755 15.091 1.00 0.00 C ATOM 695 CG ASN A 43 -4.523 6.768 14.634 1.00 0.00 C ATOM 696 OD1 ASN A 43 -3.689 6.302 15.418 1.00 0.00 O ATOM 697 ND2 ASN A 43 -4.545 6.476 13.298 1.00 0.00 N ATOM 0 H ASN A 43 -7.983 8.293 16.839 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.055 6.242 14.978 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.941 8.349 14.243 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.182 8.449 15.819 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.849 5.844 12.903 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.258 6.890 12.697 1.00 0.00 H new ATOM 704 N THR A 44 -6.366 5.090 17.078 1.00 0.00 N ATOM 705 CA THR A 44 -5.995 4.366 18.252 1.00 0.00 C ATOM 706 C THR A 44 -4.554 4.014 18.129 1.00 0.00 C ATOM 707 O THR A 44 -4.180 3.259 17.233 1.00 0.00 O ATOM 708 CB THR A 44 -6.814 3.114 18.382 1.00 0.00 C ATOM 709 OG1 THR A 44 -8.180 3.488 18.377 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.500 2.385 19.696 1.00 0.00 C ATOM 0 H THR A 44 -6.611 4.495 16.287 1.00 0.00 H new ATOM 0 HA THR A 44 -6.172 4.976 19.138 1.00 0.00 H new ATOM 0 HB THR A 44 -6.582 2.442 17.556 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.739 2.686 18.308 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.107 1.482 19.765 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.444 2.116 19.719 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.726 3.039 20.538 1.00 0.00 H new ATOM 718 N PHE A 45 -3.717 4.549 19.047 1.00 0.00 N ATOM 719 CA PHE A 45 -2.323 4.201 19.039 1.00 0.00 C ATOM 720 C PHE A 45 -2.137 2.949 19.842 1.00 0.00 C ATOM 721 O PHE A 45 -2.585 2.872 20.983 1.00 0.00 O ATOM 722 CB PHE A 45 -1.321 5.268 19.535 1.00 0.00 C ATOM 723 CG PHE A 45 -1.294 6.444 18.600 1.00 0.00 C ATOM 724 CD1 PHE A 45 -2.252 7.423 18.760 1.00 0.00 C ATOM 725 CD2 PHE A 45 -0.326 6.619 17.613 1.00 0.00 C ATOM 726 CE1 PHE A 45 -2.280 8.520 17.926 1.00 0.00 C ATOM 727 CE2 PHE A 45 -0.340 7.735 16.800 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.328 8.681 16.942 1.00 0.00 C ATOM 0 H PHE A 45 -3.996 5.205 19.776 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.081 4.082 17.983 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.599 5.599 20.536 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.325 4.832 19.609 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.987 7.329 19.546 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.444 5.873 17.482 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.056 9.262 18.045 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.427 7.865 16.051 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.358 9.541 16.289 1.00 0.00 H new ATOM 738 N ILE A 46 -1.478 1.926 19.242 1.00 0.00 N ATOM 739 CA ILE A 46 -1.400 0.609 19.811 1.00 0.00 C ATOM 740 C ILE A 46 -0.041 0.503 20.405 1.00 0.00 C ATOM 741 O ILE A 46 0.902 1.084 19.891 1.00 0.00 O ATOM 742 CB ILE A 46 -1.403 -0.472 18.748 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.379 -0.209 17.581 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.618 -1.842 19.399 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.852 -0.110 17.978 1.00 0.00 C ATOM 0 H ILE A 46 -0.994 2.019 18.349 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.240 0.479 20.494 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.421 -0.458 18.276 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.089 0.718 17.087 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.269 -1.009 16.848 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.619 -2.614 18.630 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.814 -2.038 20.109 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.574 -1.850 19.923 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.456 0.076 17.090 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.167 -1.044 18.443 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.984 0.709 18.685 1.00 0.00 H new ATOM 757 N HIS A 47 0.090 -0.250 21.506 1.00 0.00 N ATOM 758 CA HIS A 47 1.294 -0.347 22.279 1.00 0.00 C ATOM 759 C HIS A 47 1.454 -1.788 22.637 1.00 0.00 C ATOM 760 O HIS A 47 0.509 -2.428 23.104 1.00 0.00 O ATOM 761 CB HIS A 47 1.239 0.408 23.614 1.00 0.00 C ATOM 762 CG HIS A 47 0.393 1.640 23.598 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.586 2.682 22.721 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.615 2.030 24.425 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.296 3.643 23.052 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.048 3.297 24.080 1.00 0.00 N ATOM 0 H HIS A 47 -0.672 -0.817 21.878 1.00 0.00 H new ATOM 0 HA HIS A 47 2.100 0.078 21.681 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.861 -0.266 24.382 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.253 0.683 23.903 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.268 2.719 21.964 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.018 1.437 25.233 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.379 4.588 22.536 1.00 0.00 H new ATOM 774 N GLY A 48 2.669 -2.335 22.462 1.00 0.00 N ATOM 775 CA GLY A 48 2.893 -3.688 22.873 1.00 0.00 C ATOM 776 C GLY A 48 4.123 -4.152 22.185 1.00 0.00 C ATOM 777 O GLY A 48 5.174 -3.520 22.285 1.00 0.00 O ATOM 0 H GLY A 48 3.473 -1.861 22.050 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.010 -3.748 23.955 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.043 -4.317 22.609 1.00 0.00 H new ATOM 781 N ASN A 49 3.997 -5.284 21.464 1.00 0.00 N ATOM 782 CA ASN A 49 5.042 -5.792 20.624 1.00 0.00 C ATOM 783 C ASN A 49 4.448 -5.887 19.262 1.00 0.00 C ATOM 784 O ASN A 49 3.267 -6.196 19.098 1.00 0.00 O ATOM 785 CB ASN A 49 5.524 -7.206 20.989 1.00 0.00 C ATOM 786 CG ASN A 49 6.552 -7.144 22.118 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.801 -7.584 21.769 1.00 0.00 O flip ATOM 788 ND2 ASN A 49 6.260 -6.742 23.249 1.00 0.00 N flip ATOM 0 H ASN A 49 3.153 -5.857 21.464 1.00 0.00 H new ATOM 0 HA ASN A 49 5.901 -5.128 20.721 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.676 -7.819 21.294 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.964 -7.684 20.114 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.311 -6.426 23.449 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.968 -6.726 23.983 1.00 0.00 H new ATOM 795 N LYS A 50 5.292 -5.669 18.226 1.00 0.00 N ATOM 796 CA LYS A 50 4.843 -5.799 16.869 1.00 0.00 C ATOM 797 C LYS A 50 4.971 -7.235 16.446 1.00 0.00 C ATOM 798 O LYS A 50 4.596 -7.591 15.330 1.00 0.00 O ATOM 799 CB LYS A 50 5.633 -5.004 15.810 1.00 0.00 C ATOM 800 CG LYS A 50 6.238 -3.673 16.266 1.00 0.00 C ATOM 801 CD LYS A 50 7.201 -3.036 15.249 1.00 0.00 C ATOM 802 CE LYS A 50 6.519 -2.565 13.963 1.00 0.00 C ATOM 803 NZ LYS A 50 7.501 -1.918 13.065 1.00 0.00 N ATOM 0 H LYS A 50 6.272 -5.406 18.328 1.00 0.00 H new ATOM 0 HA LYS A 50 3.826 -5.408 16.895 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.440 -5.637 15.440 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.971 -4.807 14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.430 -2.971 16.473 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.771 -3.831 17.204 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.699 -2.187 15.717 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.976 -3.759 14.994 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.058 -3.413 13.457 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.720 -1.864 14.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.023 -1.604 12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.922 -1.097 13.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.249 -2.598 12.821 1.00 0.00 H new ATOM 817 N ARG A 51 5.518 -8.083 17.348 1.00 0.00 N ATOM 818 CA ARG A 51 5.594 -9.505 17.216 1.00 0.00 C ATOM 819 C ARG A 51 4.215 -10.036 17.401 1.00 0.00 C ATOM 820 O ARG A 51 3.784 -10.922 16.669 1.00 0.00 O ATOM 821 CB ARG A 51 6.449 -10.196 18.302 1.00 0.00 C ATOM 822 CG ARG A 51 7.983 -10.072 18.192 1.00 0.00 C ATOM 823 CD ARG A 51 8.572 -8.668 18.371 1.00 0.00 C ATOM 824 NE ARG A 51 8.729 -8.036 17.029 1.00 0.00 N ATOM 825 CZ ARG A 51 9.053 -6.715 16.913 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.153 -5.927 18.023 1.00 0.00 N ATOM 827 NH2 ARG A 51 9.273 -6.181 15.676 1.00 0.00 N ATOM 0 H ARG A 51 5.930 -7.750 18.219 1.00 0.00 H new ATOM 0 HA ARG A 51 6.044 -9.707 16.244 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.149 -9.796 19.270 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.197 -11.257 18.303 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.432 -10.728 18.938 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.286 -10.447 17.214 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.919 -8.062 18.999 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.536 -8.725 18.876 1.00 0.00 H new ATOM 0 HE ARG A 51 8.593 -8.597 16.188 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.985 -6.324 18.947 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.396 -4.941 17.928 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.195 -6.768 14.846 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.515 -5.195 15.582 1.00 0.00 H new ATOM 841 N SER A 52 3.504 -9.488 18.409 1.00 0.00 N ATOM 842 CA SER A 52 2.175 -9.875 18.743 1.00 0.00 C ATOM 843 C SER A 52 1.170 -9.233 17.842 1.00 0.00 C ATOM 844 O SER A 52 0.097 -9.808 17.679 1.00 0.00 O ATOM 845 CB SER A 52 1.823 -9.661 20.220 1.00 0.00 C ATOM 846 OG SER A 52 2.232 -8.388 20.681 1.00 0.00 O ATOM 0 H SER A 52 3.873 -8.750 19.009 1.00 0.00 H new ATOM 0 HA SER A 52 2.135 -10.952 18.582 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.747 -9.768 20.356 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.298 -10.435 20.822 1.00 0.00 H new ATOM 0 HG SER A 52 2.403 -7.802 19.914 1.00 0.00 H new ATOM 852 N ILE A 53 1.483 -8.059 17.234 1.00 0.00 N ATOM 853 CA ILE A 53 0.677 -7.497 16.164 1.00 0.00 C ATOM 854 C ILE A 53 0.614 -8.454 15.003 1.00 0.00 C ATOM 855 O ILE A 53 -0.472 -8.883 14.609 1.00 0.00 O ATOM 856 CB ILE A 53 1.187 -6.143 15.679 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.026 -5.072 16.777 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.487 -5.682 14.386 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.421 -4.631 16.974 1.00 0.00 C ATOM 0 H ILE A 53 2.296 -7.495 17.482 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.319 -7.338 16.578 1.00 0.00 H new ATOM 0 HB ILE A 53 2.246 -6.269 15.453 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.412 -5.464 17.718 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.633 -4.203 16.521 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.885 -4.714 14.082 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.665 -6.412 13.596 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.585 -5.594 14.564 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.468 -3.877 17.760 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.803 -4.210 16.044 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.028 -5.490 17.260 1.00 0.00 H new ATOM 871 N LYS A 54 1.792 -8.794 14.441 1.00 0.00 N ATOM 872 CA LYS A 54 1.971 -9.671 13.299 1.00 0.00 C ATOM 873 C LYS A 54 1.341 -11.026 13.510 1.00 0.00 C ATOM 874 O LYS A 54 0.729 -11.585 12.596 1.00 0.00 O ATOM 875 CB LYS A 54 3.459 -9.891 12.971 1.00 0.00 C ATOM 876 CG LYS A 54 3.710 -10.344 11.526 1.00 0.00 C ATOM 877 CD LYS A 54 5.203 -10.517 11.222 1.00 0.00 C ATOM 878 CE LYS A 54 5.496 -10.766 9.739 1.00 0.00 C ATOM 879 NZ LYS A 54 4.767 -11.958 9.251 1.00 0.00 N ATOM 0 H LYS A 54 2.679 -8.439 14.800 1.00 0.00 H new ATOM 0 HA LYS A 54 1.477 -9.164 12.470 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.003 -8.964 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.866 -10.638 13.653 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.194 -11.287 11.348 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.284 -9.613 10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.738 -9.624 11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.591 -11.351 11.807 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.206 -9.893 9.155 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.567 -10.905 9.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.046 -12.157 8.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.999 -12.776 9.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.743 -11.779 9.291 1.00 0.00 H new ATOM 893 N ALA A 55 1.457 -11.568 14.749 1.00 0.00 N ATOM 894 CA ALA A 55 1.002 -12.886 15.106 1.00 0.00 C ATOM 895 C ALA A 55 -0.481 -12.999 15.345 1.00 0.00 C ATOM 896 O ALA A 55 -0.936 -14.030 15.839 1.00 0.00 O ATOM 897 CB ALA A 55 1.665 -13.405 16.390 1.00 0.00 C ATOM 0 H ALA A 55 1.884 -11.067 15.529 1.00 0.00 H new ATOM 0 HA ALA A 55 1.279 -13.475 14.231 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.288 -14.402 16.616 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.745 -13.448 16.250 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.433 -12.733 17.216 1.00 0.00 H new ATOM 903 N ILE A 56 -1.277 -11.965 14.987 1.00 0.00 N ATOM 904 CA ILE A 56 -2.710 -12.071 14.979 1.00 0.00 C ATOM 905 C ILE A 56 -3.091 -12.821 13.746 1.00 0.00 C ATOM 906 O ILE A 56 -4.084 -13.549 13.744 1.00 0.00 O ATOM 907 CB ILE A 56 -3.403 -10.723 14.995 1.00 0.00 C ATOM 908 CG1 ILE A 56 -3.031 -9.990 16.296 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.934 -10.873 14.875 1.00 0.00 C ATOM 910 CD1 ILE A 56 -3.299 -8.491 16.219 1.00 0.00 C ATOM 0 H ILE A 56 -0.924 -11.051 14.702 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.029 -12.586 15.885 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.070 -10.143 14.134 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.599 -10.415 17.124 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.976 -10.156 16.514 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.398 -9.887 14.890 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.178 -11.375 13.939 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.308 -11.463 15.711 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.019 -8.022 17.163 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.711 -8.057 15.410 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.359 -8.320 16.029 1.00 0.00 H new ATOM 922 N CYS A 57 -2.294 -12.656 12.666 1.00 0.00 N ATOM 923 CA CYS A 57 -2.651 -13.214 11.392 1.00 0.00 C ATOM 924 C CYS A 57 -2.359 -14.677 11.284 1.00 0.00 C ATOM 925 O CYS A 57 -2.987 -15.361 10.476 1.00 0.00 O ATOM 926 CB CYS A 57 -1.995 -12.511 10.206 1.00 0.00 C ATOM 927 SG CYS A 57 -2.208 -10.721 10.324 1.00 0.00 S ATOM 0 H CYS A 57 -1.413 -12.142 12.675 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.728 -13.055 11.345 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.933 -12.754 10.175 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.432 -12.873 9.275 1.00 0.00 H new ATOM 932 N GLU A 58 -1.418 -15.196 12.102 1.00 0.00 N ATOM 933 CA GLU A 58 -1.275 -16.616 12.261 1.00 0.00 C ATOM 934 C GLU A 58 -2.141 -16.972 13.426 1.00 0.00 C ATOM 935 O GLU A 58 -2.429 -16.123 14.270 1.00 0.00 O ATOM 936 CB GLU A 58 0.177 -17.079 12.504 1.00 0.00 C ATOM 937 CG GLU A 58 0.811 -16.557 13.796 1.00 0.00 C ATOM 938 CD GLU A 58 2.316 -16.749 13.692 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.754 -17.907 13.464 1.00 0.00 O ATOM 940 OE2 GLU A 58 3.049 -15.734 13.835 1.00 0.00 O ATOM 0 H GLU A 58 -0.762 -14.638 12.649 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.567 -17.119 11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.198 -18.169 12.520 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.790 -16.761 11.661 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.570 -15.504 13.940 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.417 -17.095 14.658 1.00 0.00 H new ATOM 947 N ASN A 59 -2.583 -18.243 13.493 1.00 0.00 N ATOM 948 CA ASN A 59 -3.442 -18.691 14.555 1.00 0.00 C ATOM 949 C ASN A 59 -2.603 -19.122 15.724 1.00 0.00 C ATOM 950 O ASN A 59 -2.245 -20.289 15.873 1.00 0.00 O ATOM 951 CB ASN A 59 -4.453 -19.792 14.138 1.00 0.00 C ATOM 952 CG ASN A 59 -3.804 -20.975 13.404 1.00 0.00 C ATOM 953 OD1 ASN A 59 -3.262 -20.846 12.300 1.00 0.00 O ATOM 954 ND2 ASN A 59 -3.911 -22.180 14.045 1.00 0.00 N ATOM 0 H ASN A 59 -2.346 -18.964 12.811 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.066 -17.844 14.839 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.962 -20.162 15.028 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.215 -19.350 13.496 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.534 -23.023 13.612 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.368 -22.235 14.956 1.00 0.00 H new ATOM 961 N LYS A 60 -2.274 -18.149 16.597 1.00 0.00 N ATOM 962 CA LYS A 60 -1.558 -18.395 17.813 1.00 0.00 C ATOM 963 C LYS A 60 -2.190 -17.498 18.807 1.00 0.00 C ATOM 964 O LYS A 60 -2.498 -17.905 19.926 1.00 0.00 O ATOM 965 CB LYS A 60 -0.060 -18.033 17.770 1.00 0.00 C ATOM 966 CG LYS A 60 0.810 -19.104 17.102 1.00 0.00 C ATOM 967 CD LYS A 60 2.305 -18.760 17.142 1.00 0.00 C ATOM 968 CE LYS A 60 3.202 -19.933 16.731 1.00 0.00 C ATOM 969 NZ LYS A 60 2.863 -20.404 15.371 1.00 0.00 N ATOM 0 H LYS A 60 -2.512 -17.168 16.453 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.605 -19.462 18.030 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.063 -17.091 17.235 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.296 -17.870 18.787 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.648 -20.060 17.599 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.497 -19.226 16.065 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.495 -17.915 16.480 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.572 -18.442 18.150 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.247 -19.626 16.764 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.087 -20.751 17.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.585 -21.079 15.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.934 -20.872 15.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.831 -19.593 14.721 1.00 0.00 H new ATOM 983 N ASN A 61 -2.384 -16.236 18.391 1.00 0.00 N ATOM 984 CA ASN A 61 -3.001 -15.249 19.223 1.00 0.00 C ATOM 985 C ASN A 61 -3.911 -14.443 18.354 1.00 0.00 C ATOM 986 O ASN A 61 -3.810 -13.220 18.265 1.00 0.00 O ATOM 987 CB ASN A 61 -2.020 -14.354 20.023 1.00 0.00 C ATOM 988 CG ASN A 61 -0.843 -13.842 19.189 1.00 0.00 C ATOM 989 OD1 ASN A 61 0.089 -14.588 18.867 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.885 -12.508 18.889 1.00 0.00 N ATOM 0 H ASN A 61 -2.111 -15.895 17.469 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.553 -15.767 20.008 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.566 -13.502 20.428 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.635 -14.919 20.872 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.119 -12.077 18.372 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.683 -11.944 19.183 1.00 0.00 H new ATOM 997 N GLY A 62 -4.875 -15.128 17.716 1.00 0.00 N ATOM 998 CA GLY A 62 -5.899 -14.414 17.025 1.00 0.00 C ATOM 999 C GLY A 62 -6.798 -15.400 16.357 1.00 0.00 C ATOM 1000 O GLY A 62 -6.377 -16.503 16.012 1.00 0.00 O ATOM 0 H GLY A 62 -4.946 -16.145 17.678 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.466 -13.796 17.722 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.460 -13.742 16.288 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.075 -14.994 16.180 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.096 -15.799 15.576 1.00 0.00 C ATOM 1006 C ASN A 63 -9.361 -15.224 14.217 1.00 0.00 C ATOM 1007 O ASN A 63 -9.080 -14.042 14.022 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.438 -15.698 16.324 1.00 0.00 C ATOM 1009 CG ASN A 63 -10.235 -16.123 17.773 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.739 -17.220 18.059 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -10.648 -15.211 18.706 1.00 0.00 N ATOM 0 H ASN A 63 -8.406 -14.073 16.468 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.752 -16.833 15.575 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.816 -14.677 16.281 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.183 -16.334 15.847 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.554 -15.420 19.700 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -11.050 -14.322 18.407 1.00 0.00 H new ATOM 1018 N PRO A 64 -9.908 -15.968 13.267 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.545 -15.405 12.108 1.00 0.00 C ATOM 1020 C PRO A 64 -11.845 -14.817 12.586 1.00 0.00 C ATOM 1021 O PRO A 64 -12.517 -15.415 13.428 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.760 -16.591 11.166 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.793 -17.822 12.080 1.00 0.00 C ATOM 1024 CD PRO A 64 -9.892 -17.421 13.250 1.00 0.00 C ATOM 0 HA PRO A 64 -9.981 -14.625 11.597 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.691 -16.488 10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.956 -16.664 10.434 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.806 -18.048 12.413 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.419 -18.710 11.571 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.263 -17.829 14.190 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.880 -17.801 13.115 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.204 -13.635 12.050 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.333 -12.892 12.524 1.00 0.00 C ATOM 1034 C HIS A 65 -14.019 -12.329 11.326 1.00 0.00 C ATOM 1035 O HIS A 65 -13.437 -11.518 10.611 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.888 -11.720 13.417 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.958 -10.715 13.711 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.037 -10.984 14.510 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.067 -9.428 13.309 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.778 -9.887 14.588 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.212 -8.928 13.868 1.00 0.00 N ATOM 0 H HIS A 65 -11.706 -13.190 11.279 1.00 0.00 H new ATOM 0 HA HIS A 65 -13.983 -13.545 13.107 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.516 -12.121 14.360 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.053 -11.211 12.935 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.380 -8.895 12.668 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.696 -9.790 15.149 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.569 -7.980 13.751 1.00 0.00 H new ATOM 1050 N ARG A 66 -15.291 -12.735 11.113 1.00 0.00 N ATOM 1051 CA ARG A 66 -16.136 -12.248 10.051 1.00 0.00 C ATOM 1052 C ARG A 66 -15.630 -12.783 8.738 1.00 0.00 C ATOM 1053 O ARG A 66 -15.859 -13.949 8.418 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.365 -10.709 10.090 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.746 -10.193 9.625 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.953 -9.993 8.114 1.00 0.00 C ATOM 1057 NE ARG A 66 -18.296 -11.292 7.457 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.577 -11.756 7.353 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -20.626 -11.046 7.860 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.807 -12.954 6.738 1.00 0.00 N ATOM 0 H ARG A 66 -15.750 -13.429 11.702 1.00 0.00 H new ATOM 0 HA ARG A 66 -17.145 -12.633 10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.203 -10.368 11.113 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -15.601 -10.237 9.472 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.504 -10.892 9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.934 -9.240 10.120 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -18.751 -9.270 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.048 -9.581 7.668 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.540 -11.857 7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.460 -10.154 8.326 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.576 -11.407 7.773 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.027 -13.492 6.362 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.759 -13.310 6.655 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.950 -11.936 7.942 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.454 -12.320 6.659 1.00 0.00 C ATOM 1076 C GLU A 67 -13.259 -11.457 6.439 1.00 0.00 C ATOM 1077 O GLU A 67 -13.379 -10.276 6.115 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.474 -12.118 5.513 1.00 0.00 C ATOM 1079 CG GLU A 67 -15.000 -12.591 4.130 1.00 0.00 C ATOM 1080 CD GLU A 67 -14.661 -14.075 4.193 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -15.577 -14.883 4.503 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -13.478 -14.420 3.931 1.00 0.00 O ATOM 0 H GLU A 67 -14.742 -10.970 8.195 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.231 -13.387 6.648 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.392 -12.648 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.724 -11.059 5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.778 -12.415 3.387 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.126 -12.020 3.818 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.076 -12.082 6.632 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.727 -11.587 6.432 1.00 0.00 C ATOM 1091 C ASN A 68 -10.323 -10.476 7.364 1.00 0.00 C ATOM 1092 O ASN A 68 -9.337 -9.783 7.117 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.269 -11.333 4.960 1.00 0.00 C ATOM 1094 CG ASN A 68 -11.001 -10.209 4.209 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.930 -10.479 3.438 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.543 -8.936 4.408 1.00 0.00 N ATOM 0 H ASN A 68 -12.059 -13.045 6.967 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.149 -12.464 6.722 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.203 -11.104 4.967 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.392 -12.259 4.398 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.971 -8.156 3.909 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.773 -8.766 5.055 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.057 -10.317 8.485 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.672 -9.434 9.543 1.00 0.00 C ATOM 1105 C LEU A 69 -10.253 -10.414 10.570 1.00 0.00 C ATOM 1106 O LEU A 69 -10.640 -11.575 10.472 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.806 -8.549 10.088 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.663 -7.836 9.015 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -13.731 -6.963 9.694 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.853 -6.971 8.034 1.00 0.00 C ATOM 0 H LEU A 69 -11.932 -10.811 8.657 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.925 -8.707 9.224 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.462 -9.165 10.703 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.372 -7.794 10.743 1.00 0.00 H new ATOM 0 HG LEU A 69 -13.121 -8.630 8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.331 -6.464 8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.375 -7.590 10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.245 -6.215 10.321 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.528 -6.507 7.315 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.322 -6.196 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.134 -7.597 7.505 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.426 -10.016 11.556 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.918 -10.997 12.477 1.00 0.00 C ATOM 1124 C ARG A 70 -8.781 -10.353 13.808 1.00 0.00 C ATOM 1125 O ARG A 70 -8.034 -9.395 13.986 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.565 -11.649 12.094 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.676 -12.578 10.871 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.517 -13.550 10.650 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.430 -14.457 11.836 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.202 -15.801 11.728 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.084 -16.403 10.510 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.079 -16.553 12.861 1.00 0.00 N ATOM 0 H ARG A 70 -9.117 -9.057 11.716 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.638 -11.815 12.467 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.836 -10.866 11.885 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.187 -12.218 12.944 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.595 -13.157 10.964 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.778 -11.959 9.980 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.676 -14.129 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.583 -13.003 10.521 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.546 -14.055 12.766 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.166 -15.849 9.657 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.914 -17.407 10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.157 -16.111 13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.909 -17.556 12.791 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.525 -10.917 14.778 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.550 -10.483 16.142 1.00 0.00 C ATOM 1148 C ILE A 71 -8.286 -10.958 16.771 1.00 0.00 C ATOM 1149 O ILE A 71 -7.794 -12.032 16.441 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.762 -11.125 16.829 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.977 -10.179 16.820 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -10.520 -11.699 18.245 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -11.924 -9.078 17.882 1.00 0.00 C ATOM 0 H ILE A 71 -10.138 -11.713 14.603 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.629 -9.399 16.228 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.971 -12.002 16.217 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.055 -9.716 15.836 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.882 -10.768 16.968 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.447 -12.126 18.628 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.756 -12.475 18.197 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.186 -10.901 18.909 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.816 -8.457 17.807 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.879 -9.530 18.873 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.039 -8.462 17.724 1.00 0.00 H new ATOM 1165 N SER A 72 -7.749 -10.152 17.705 1.00 0.00 N ATOM 1166 CA SER A 72 -6.592 -10.544 18.466 1.00 0.00 C ATOM 1167 C SER A 72 -7.020 -11.177 19.756 1.00 0.00 C ATOM 1168 O SER A 72 -8.047 -10.821 20.331 1.00 0.00 O ATOM 1169 CB SER A 72 -5.680 -9.362 18.833 1.00 0.00 C ATOM 1170 OG SER A 72 -6.325 -8.469 19.725 1.00 0.00 O ATOM 0 H SER A 72 -8.113 -9.228 17.937 1.00 0.00 H new ATOM 0 HA SER A 72 -6.039 -11.235 17.830 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.763 -9.736 19.289 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.391 -8.829 17.927 1.00 0.00 H new ATOM 0 HG SER A 72 -5.674 -7.820 20.066 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.191 -12.124 20.252 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.355 -12.705 21.559 1.00 0.00 C ATOM 1178 C LYS A 73 -5.349 -12.070 22.465 1.00 0.00 C ATOM 1179 O LYS A 73 -5.373 -12.292 23.675 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.043 -14.213 21.622 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.106 -15.133 21.008 1.00 0.00 C ATOM 1182 CD LYS A 73 -8.420 -15.129 21.799 1.00 0.00 C ATOM 1183 CE LYS A 73 -9.200 -16.439 21.666 1.00 0.00 C ATOM 1184 NZ LYS A 73 -10.500 -16.334 22.365 1.00 0.00 N ATOM 0 H LYS A 73 -5.392 -12.493 19.736 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.398 -12.547 21.834 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.095 -14.392 21.114 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.903 -14.494 22.666 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.303 -14.820 19.983 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.717 -16.150 20.962 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.204 -14.946 22.852 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.043 -14.304 21.454 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.363 -16.668 20.613 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.619 -17.261 22.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.020 -17.229 22.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.337 -16.136 23.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.058 -15.562 21.947 1.00 0.00 H new ATOM 1198 N SER A 74 -4.430 -11.272 21.885 1.00 0.00 N ATOM 1199 CA SER A 74 -3.372 -10.641 22.603 1.00 0.00 C ATOM 1200 C SER A 74 -3.781 -9.217 22.658 1.00 0.00 C ATOM 1201 O SER A 74 -3.405 -8.425 21.800 1.00 0.00 O ATOM 1202 CB SER A 74 -2.004 -10.750 21.907 1.00 0.00 C ATOM 1203 OG SER A 74 -1.016 -10.042 22.642 1.00 0.00 O ATOM 0 H SER A 74 -4.427 -11.062 20.887 1.00 0.00 H new ATOM 0 HA SER A 74 -3.236 -11.114 23.575 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.718 -11.798 21.816 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.071 -10.349 20.896 1.00 0.00 H new ATOM 0 HG SER A 74 -0.129 -10.250 22.282 1.00 0.00 H new ATOM 1209 N SER A 75 -4.597 -8.902 23.678 1.00 0.00 N ATOM 1210 CA SER A 75 -5.058 -7.578 24.003 1.00 0.00 C ATOM 1211 C SER A 75 -3.900 -6.664 24.239 1.00 0.00 C ATOM 1212 O SER A 75 -3.009 -6.960 25.036 1.00 0.00 O ATOM 1213 CB SER A 75 -5.919 -7.549 25.275 1.00 0.00 C ATOM 1214 OG SER A 75 -7.106 -8.303 25.073 1.00 0.00 O ATOM 0 H SER A 75 -4.959 -9.610 24.317 1.00 0.00 H new ATOM 0 HA SER A 75 -5.657 -7.254 23.152 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.357 -7.958 26.115 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.171 -6.520 25.531 1.00 0.00 H new ATOM 0 HG SER A 75 -7.650 -8.282 25.888 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.899 -5.527 23.511 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.777 -4.635 23.489 1.00 0.00 C ATOM 1222 C PHE A 76 -3.117 -3.474 24.339 1.00 0.00 C ATOM 1223 O PHE A 76 -4.286 -3.188 24.587 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.457 -4.044 22.100 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.092 -5.109 21.126 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.102 -5.715 20.409 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.772 -5.473 20.886 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.808 -6.723 19.522 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.475 -6.469 19.969 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.506 -7.111 19.316 1.00 0.00 C ATOM 0 H PHE A 76 -4.683 -5.225 22.933 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.917 -5.218 23.820 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.321 -3.492 21.730 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.637 -3.332 22.187 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.125 -5.397 20.545 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.027 -4.977 21.417 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.606 -7.213 18.983 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.551 -6.739 19.768 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.289 -7.924 18.639 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.056 -2.767 24.773 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.150 -1.504 25.432 1.00 0.00 C ATOM 1242 C GLN A 77 -2.526 -0.560 24.355 1.00 0.00 C ATOM 1243 O GLN A 77 -2.016 -0.643 23.247 1.00 0.00 O ATOM 1244 CB GLN A 77 -0.810 -1.167 26.140 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.702 -1.467 27.642 1.00 0.00 C ATOM 1246 CD GLN A 77 -1.669 -0.563 28.408 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -2.164 0.440 27.883 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.941 -0.951 29.691 1.00 0.00 N ATOM 0 H GLN A 77 -1.095 -3.090 24.659 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.888 -1.471 26.233 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.015 -1.712 25.631 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.612 -0.105 25.995 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.936 -2.514 27.833 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.319 -1.301 27.985 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.504 -1.789 30.074 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.581 -0.402 30.265 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.494 0.333 24.643 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.133 1.078 23.597 1.00 0.00 C ATOM 1259 C VAL A 78 -4.415 2.437 24.171 1.00 0.00 C ATOM 1260 O VAL A 78 -4.654 2.574 25.367 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.385 0.328 23.157 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.683 1.164 23.101 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.018 -0.317 21.809 1.00 0.00 C ATOM 0 H VAL A 78 -3.830 0.538 25.584 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.520 1.194 22.703 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.650 -0.414 23.910 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.509 0.532 22.776 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.900 1.565 24.091 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.556 1.986 22.396 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.873 -0.876 21.428 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.746 0.461 21.095 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.174 -0.993 21.947 1.00 0.00 H new ATOM 1273 N THR A 79 -4.379 3.487 23.324 1.00 0.00 N ATOM 1274 CA THR A 79 -4.854 4.788 23.703 1.00 0.00 C ATOM 1275 C THR A 79 -5.659 5.218 22.530 1.00 0.00 C ATOM 1276 O THR A 79 -5.109 5.549 21.483 1.00 0.00 O ATOM 1277 CB THR A 79 -3.777 5.813 23.969 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.977 5.386 25.054 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.389 7.169 24.357 1.00 0.00 C ATOM 0 H THR A 79 -4.019 3.434 22.371 1.00 0.00 H new ATOM 0 HA THR A 79 -5.395 4.721 24.647 1.00 0.00 H new ATOM 0 HB THR A 79 -3.188 5.920 23.058 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.356 4.692 24.749 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.591 7.888 24.543 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.020 7.529 23.545 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.990 7.052 25.259 1.00 0.00 H new ATOM 1287 N THR A 80 -6.993 5.217 22.700 1.00 0.00 N ATOM 1288 CA THR A 80 -7.904 5.583 21.657 1.00 0.00 C ATOM 1289 C THR A 80 -8.058 7.063 21.715 1.00 0.00 C ATOM 1290 O THR A 80 -8.730 7.586 22.602 1.00 0.00 O ATOM 1291 CB THR A 80 -9.255 4.928 21.832 1.00 0.00 C ATOM 1292 OG1 THR A 80 -9.094 3.524 21.723 1.00 0.00 O ATOM 1293 CG2 THR A 80 -10.258 5.406 20.764 1.00 0.00 C ATOM 0 H THR A 80 -7.448 4.958 23.575 1.00 0.00 H new ATOM 0 HA THR A 80 -7.511 5.251 20.696 1.00 0.00 H new ATOM 0 HB THR A 80 -9.649 5.201 22.811 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.958 3.111 21.517 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.218 4.914 20.921 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.386 6.486 20.842 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.880 5.156 19.772 1.00 0.00 H new ATOM 1301 N CYS A 81 -7.434 7.765 20.751 1.00 0.00 N ATOM 1302 CA CYS A 81 -7.481 9.193 20.732 1.00 0.00 C ATOM 1303 C CYS A 81 -8.516 9.591 19.756 1.00 0.00 C ATOM 1304 O CYS A 81 -8.402 9.310 18.565 1.00 0.00 O ATOM 1305 CB CYS A 81 -6.161 9.822 20.310 1.00 0.00 C ATOM 1306 SG CYS A 81 -4.820 9.009 21.186 1.00 0.00 S ATOM 0 H CYS A 81 -6.900 7.346 19.990 1.00 0.00 H new ATOM 0 HA CYS A 81 -7.699 9.539 21.742 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.023 9.721 19.233 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.164 10.889 20.533 1.00 0.00 H new ATOM 1311 N LYS A 82 -9.560 10.257 20.271 1.00 0.00 N ATOM 1312 CA LYS A 82 -10.684 10.624 19.472 1.00 0.00 C ATOM 1313 C LYS A 82 -10.699 12.121 19.489 1.00 0.00 C ATOM 1314 O LYS A 82 -10.595 12.735 20.550 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.986 10.020 20.049 1.00 0.00 C ATOM 1316 CG LYS A 82 -13.225 10.106 19.144 1.00 0.00 C ATOM 1317 CD LYS A 82 -14.176 11.261 19.489 1.00 0.00 C ATOM 1318 CE LYS A 82 -15.421 11.309 18.598 1.00 0.00 C ATOM 1319 NZ LYS A 82 -16.236 10.087 18.775 1.00 0.00 N ATOM 0 H LYS A 82 -9.626 10.543 21.248 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.615 10.244 18.453 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.804 8.971 20.284 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.211 10.523 20.989 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.899 10.215 18.110 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.774 9.166 19.208 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.486 11.168 20.530 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.638 12.205 19.400 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.017 12.188 18.843 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.124 11.406 17.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -17.165 10.221 18.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.752 9.280 18.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.365 9.900 19.790 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.804 12.723 18.285 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.772 14.144 18.070 1.00 0.00 C ATOM 1335 C LEU A 83 -12.072 14.728 18.526 1.00 0.00 C ATOM 1336 O LEU A 83 -13.122 14.432 17.956 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.662 14.455 16.552 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.508 15.936 16.129 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -9.101 16.490 16.400 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.871 16.116 14.644 1.00 0.00 C ATOM 0 H LEU A 83 -10.917 12.194 17.420 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.921 14.557 18.612 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.808 13.903 16.158 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.552 14.058 16.063 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.202 16.509 16.744 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.053 17.532 16.083 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.883 16.424 17.466 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.367 15.907 15.843 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.756 17.164 14.366 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -10.210 15.503 14.031 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.904 15.809 14.482 1.00 0.00 H new ATOM 1352 N HIS A 84 -12.008 15.618 19.537 1.00 0.00 N ATOM 1353 CA HIS A 84 -13.066 16.564 19.742 1.00 0.00 C ATOM 1354 C HIS A 84 -12.641 17.729 18.929 1.00 0.00 C ATOM 1355 O HIS A 84 -11.587 18.314 19.179 1.00 0.00 O ATOM 1356 CB HIS A 84 -13.332 16.967 21.208 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.150 17.509 21.954 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -10.859 17.106 21.992 1.00 0.00 N flip ATOM 1359 CD2 HIS A 84 -12.285 18.515 22.872 1.00 0.00 C flip ATOM 1360 CE1 HIS A 84 -10.225 17.881 22.922 1.00 0.00 C flip ATOM 1361 NE2 HIS A 84 -11.107 18.723 23.439 1.00 0.00 N flip ATOM 0 H HIS A 84 -11.238 15.683 20.202 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.023 16.129 19.452 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -14.123 17.717 21.222 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.709 16.095 21.743 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -13.197 19.048 23.096 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.181 17.818 23.190 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.910 19.419 24.158 1.00 0.00 H new ATOM 1370 N GLY A 85 -13.444 18.034 17.885 1.00 0.00 N ATOM 1371 CA GLY A 85 -13.041 18.951 16.860 1.00 0.00 C ATOM 1372 C GLY A 85 -13.308 20.344 17.289 1.00 0.00 C ATOM 1373 O GLY A 85 -14.388 20.894 17.079 1.00 0.00 O ATOM 0 H GLY A 85 -14.376 17.642 17.753 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.980 18.825 16.646 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.580 18.737 15.937 1.00 0.00 H new ATOM 1377 N GLY A 86 -12.251 20.940 17.866 1.00 0.00 N ATOM 1378 CA GLY A 86 -12.168 22.346 18.113 1.00 0.00 C ATOM 1379 C GLY A 86 -11.328 22.900 17.011 1.00 0.00 C ATOM 1380 O GLY A 86 -11.204 24.115 16.868 1.00 0.00 O ATOM 0 H GLY A 86 -11.425 20.426 18.172 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.158 22.802 18.118 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.720 22.547 19.086 1.00 0.00 H new ATOM 1384 N SER A 87 -10.720 21.997 16.209 1.00 0.00 N ATOM 1385 CA SER A 87 -9.862 22.403 15.136 1.00 0.00 C ATOM 1386 C SER A 87 -9.709 21.204 14.238 1.00 0.00 C ATOM 1387 O SER A 87 -9.062 20.242 14.652 1.00 0.00 O ATOM 1388 CB SER A 87 -8.460 22.839 15.600 1.00 0.00 C ATOM 1389 OG SER A 87 -7.738 23.370 14.501 1.00 0.00 O ATOM 0 H SER A 87 -10.825 20.987 16.306 1.00 0.00 H new ATOM 0 HA SER A 87 -10.310 23.266 14.644 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.543 23.587 16.389 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.925 21.988 16.023 1.00 0.00 H new ATOM 0 HG SER A 87 -7.223 22.655 14.072 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.254 21.193 13.023 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.078 20.087 12.111 1.00 0.00 C ATOM 1397 C PRO A 88 -8.742 20.177 11.430 1.00 0.00 C ATOM 1398 O PRO A 88 -8.332 19.181 10.838 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.163 20.270 11.051 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.246 21.087 11.752 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.436 21.974 12.693 1.00 0.00 C ATOM 0 HA PRO A 88 -10.136 19.131 12.632 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.778 20.790 10.174 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.549 19.310 10.708 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.832 21.674 11.045 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -12.945 20.452 12.295 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.166 22.915 12.214 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.006 22.224 13.588 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.075 21.348 11.466 1.00 0.00 N ATOM 1410 CA TRP A 89 -6.830 21.569 10.790 1.00 0.00 C ATOM 1411 C TRP A 89 -5.749 21.486 11.827 1.00 0.00 C ATOM 1412 O TRP A 89 -6.096 21.474 13.005 1.00 0.00 O ATOM 1413 CB TRP A 89 -6.849 22.952 10.114 1.00 0.00 C ATOM 1414 CG TRP A 89 -7.904 22.997 9.036 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.100 23.653 9.024 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -7.848 22.225 7.823 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -9.789 23.347 7.874 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.033 22.465 7.130 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -6.897 21.376 7.334 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.282 21.857 5.932 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.152 20.752 6.131 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.326 20.989 5.440 1.00 0.00 C ATOM 0 H TRP A 89 -8.411 22.163 11.979 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.658 20.827 10.011 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.047 23.724 10.857 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -5.871 23.167 9.683 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -9.453 24.314 9.802 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -10.706 23.711 7.614 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -5.977 21.199 7.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.195 22.048 5.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.423 20.068 5.722 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.499 20.487 4.499 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.466 21.415 11.484 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.421 21.264 12.462 1.00 0.00 C ATOM 1435 C PRO A 90 -3.222 22.599 13.149 1.00 0.00 C ATOM 1436 O PRO A 90 -3.345 23.607 12.453 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.162 20.902 11.663 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.507 21.198 10.202 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.020 21.012 10.166 1.00 0.00 C ATOM 0 HA PRO A 90 -3.648 20.508 13.214 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.306 21.491 11.991 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -1.898 19.853 11.799 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.217 22.209 9.915 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -1.999 20.515 9.521 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.477 21.624 9.388 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.288 19.977 9.956 1.00 0.00 H new ATOM 1447 N PRO A 91 -2.894 22.693 14.431 1.00 0.00 N ATOM 1448 CA PRO A 91 -2.773 21.596 15.350 1.00 0.00 C ATOM 1449 C PRO A 91 -4.139 21.249 15.832 1.00 0.00 C ATOM 1450 O PRO A 91 -5.074 22.039 15.700 1.00 0.00 O ATOM 1451 CB PRO A 91 -1.983 22.121 16.540 1.00 0.00 C ATOM 1452 CG PRO A 91 -1.330 23.406 16.038 1.00 0.00 C ATOM 1453 CD PRO A 91 -2.284 23.898 14.947 1.00 0.00 C ATOM 0 HA PRO A 91 -2.296 20.730 14.890 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -2.634 22.315 17.392 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.235 21.399 16.868 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.224 24.140 16.837 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.332 23.219 15.642 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.032 24.580 15.351 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.749 24.438 14.166 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.234 20.052 16.418 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.479 19.472 16.820 1.00 0.00 C ATOM 1463 C CYS A 92 -5.561 19.561 18.301 1.00 0.00 C ATOM 1464 O CYS A 92 -4.598 19.941 18.966 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.547 17.974 16.499 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.018 17.598 14.808 1.00 0.00 S ATOM 0 H CYS A 92 -3.425 19.465 16.621 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.275 20.001 16.296 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.919 17.427 17.202 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.568 17.622 16.643 1.00 0.00 H new ATOM 1471 N GLN A 93 -6.725 19.164 18.843 1.00 0.00 N ATOM 1472 CA GLN A 93 -6.849 18.936 20.250 1.00 0.00 C ATOM 1473 C GLN A 93 -7.561 17.629 20.367 1.00 0.00 C ATOM 1474 O GLN A 93 -8.710 17.499 19.947 1.00 0.00 O ATOM 1475 CB GLN A 93 -7.625 20.038 20.995 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.430 19.982 22.514 1.00 0.00 C ATOM 1477 CD GLN A 93 -8.191 21.151 23.134 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -7.432 22.012 23.879 1.00 0.00 O flip ATOM 1479 NE2 GLN A 93 -9.408 21.290 22.961 1.00 0.00 N flip ATOM 0 H GLN A 93 -7.579 19.001 18.310 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.863 18.937 20.715 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.304 21.013 20.628 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.687 19.946 20.766 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.798 19.036 22.910 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -6.371 20.042 22.764 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.923 20.616 22.395 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.896 22.079 23.384 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.861 16.626 20.930 1.00 0.00 N ATOM 1489 CA TYR A 94 -7.380 15.296 21.071 1.00 0.00 C ATOM 1490 C TYR A 94 -7.766 15.095 22.491 1.00 0.00 C ATOM 1491 O TYR A 94 -7.140 15.652 23.390 1.00 0.00 O ATOM 1492 CB TYR A 94 -6.314 14.227 20.783 1.00 0.00 C ATOM 1493 CG TYR A 94 -6.156 14.184 19.313 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -7.144 13.572 18.574 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -5.081 14.765 18.668 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -7.097 13.575 17.200 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -5.054 14.799 17.290 1.00 0.00 C ATOM 1498 CZ TYR A 94 -6.058 14.209 16.557 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.974 14.208 15.153 1.00 0.00 O ATOM 0 H TYR A 94 -5.915 16.740 21.295 1.00 0.00 H new ATOM 0 HA TYR A 94 -8.210 15.196 20.372 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -5.371 14.478 21.268 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.623 13.256 21.169 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.965 13.084 19.079 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.268 15.189 19.239 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.870 13.083 16.629 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.239 15.292 16.782 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.715 13.685 14.781 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.795 14.249 22.708 1.00 0.00 N ATOM 1510 CA ARG A 95 -9.019 13.651 23.991 1.00 0.00 C ATOM 1511 C ARG A 95 -8.478 12.276 23.862 1.00 0.00 C ATOM 1512 O ARG A 95 -8.544 11.686 22.785 1.00 0.00 O ATOM 1513 CB ARG A 95 -10.495 13.483 24.398 1.00 0.00 C ATOM 1514 CG ARG A 95 -11.239 14.793 24.701 1.00 0.00 C ATOM 1515 CD ARG A 95 -10.541 15.713 25.712 1.00 0.00 C ATOM 1516 NE ARG A 95 -10.248 14.931 26.948 1.00 0.00 N ATOM 1517 CZ ARG A 95 -9.378 15.408 27.886 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -8.826 16.648 27.749 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -9.053 14.635 28.965 1.00 0.00 N ATOM 0 H ARG A 95 -9.471 13.980 21.994 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.562 14.297 24.741 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -11.020 12.962 23.597 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.543 12.844 25.280 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -11.376 15.340 23.768 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -12.233 14.551 25.078 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.618 16.109 25.288 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.176 16.567 25.947 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.703 14.030 27.094 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.062 17.225 26.942 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.177 16.998 28.454 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.460 13.705 29.067 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.403 14.988 29.668 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.939 11.741 24.971 1.00 0.00 N ATOM 1534 CA ALA A 96 -7.387 10.419 24.984 1.00 0.00 C ATOM 1535 C ALA A 96 -8.188 9.599 25.935 1.00 0.00 C ATOM 1536 O ALA A 96 -8.351 9.966 27.098 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.937 10.385 25.482 1.00 0.00 C ATOM 0 H ALA A 96 -7.884 12.227 25.866 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.411 10.044 23.961 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.572 9.358 25.470 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.314 10.999 24.831 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.892 10.774 26.499 1.00 0.00 H new ATOM 1543 N THR A 97 -8.687 8.447 25.441 1.00 0.00 N ATOM 1544 CA THR A 97 -9.354 7.472 26.253 1.00 0.00 C ATOM 1545 C THR A 97 -8.385 6.345 26.350 1.00 0.00 C ATOM 1546 O THR A 97 -8.154 5.630 25.379 1.00 0.00 O ATOM 1547 CB THR A 97 -10.648 6.977 25.651 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.489 8.088 25.381 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.362 6.025 26.630 1.00 0.00 C ATOM 0 H THR A 97 -8.625 8.188 24.456 1.00 0.00 H new ATOM 0 HA THR A 97 -9.631 7.904 27.215 1.00 0.00 H new ATOM 0 HB THR A 97 -10.430 6.438 24.729 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.378 7.769 25.120 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.293 5.676 26.184 1.00 0.00 H new ATOM 0 HG22 THR A 97 -10.718 5.171 26.842 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.580 6.554 27.558 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.792 6.173 27.545 1.00 0.00 N ATOM 1558 CA ALA A 98 -6.797 5.167 27.765 1.00 0.00 C ATOM 1559 C ALA A 98 -7.480 3.855 27.990 1.00 0.00 C ATOM 1560 O ALA A 98 -8.528 3.798 28.632 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.956 5.482 29.007 1.00 0.00 C ATOM 0 H ALA A 98 -8.004 6.737 28.368 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.145 5.133 26.892 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.209 4.701 29.148 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.457 6.442 28.874 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.603 5.528 29.883 1.00 0.00 H new ATOM 1567 N GLY A 99 -6.895 2.763 27.456 1.00 0.00 N ATOM 1568 CA GLY A 99 -7.528 1.484 27.570 1.00 0.00 C ATOM 1569 C GLY A 99 -6.524 0.395 27.380 1.00 0.00 C ATOM 1570 O GLY A 99 -5.323 0.629 27.252 1.00 0.00 O ATOM 0 H GLY A 99 -6.005 2.764 26.957 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.999 1.389 28.549 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.319 1.394 26.826 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.027 -0.852 27.372 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.204 -2.013 27.232 1.00 0.00 C ATOM 1576 C PHE A 100 -7.161 -3.041 26.725 1.00 0.00 C ATOM 1577 O PHE A 100 -7.934 -3.603 27.499 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.593 -2.467 28.578 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.757 -3.692 28.406 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.495 -3.600 27.855 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.210 -4.926 28.842 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.711 -4.726 27.710 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.429 -6.055 28.697 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.176 -5.956 28.129 1.00 0.00 C ATOM 0 H PHE A 100 -8.022 -1.058 27.464 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.350 -1.836 26.578 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -4.984 -1.664 28.993 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.391 -2.666 29.294 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.118 -2.640 27.535 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.185 -5.006 29.300 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.729 -4.645 27.267 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.799 -7.014 29.028 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.562 -6.837 28.013 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.155 -3.289 25.397 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.137 -4.167 24.827 1.00 0.00 C ATOM 1596 C ARG A 101 -7.680 -4.635 23.482 1.00 0.00 C ATOM 1597 O ARG A 101 -6.645 -4.213 22.965 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.559 -3.558 24.724 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.654 -2.192 24.029 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.109 -1.706 23.983 1.00 0.00 C ATOM 1601 NE ARG A 101 -11.173 -0.332 23.401 1.00 0.00 N ATOM 1602 CZ ARG A 101 -11.020 0.795 24.158 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -10.707 0.715 25.483 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -11.189 2.020 23.578 1.00 0.00 N ATOM 0 H ARG A 101 -6.489 -2.893 24.734 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.225 -5.006 25.517 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.197 -4.262 24.189 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -9.966 -3.461 25.731 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -9.039 -1.465 24.560 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -9.258 -2.265 23.016 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.711 -2.391 23.385 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.532 -1.704 24.988 1.00 0.00 H new ATOM 0 HE ARG A 101 -11.337 -0.231 22.399 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -10.583 -0.197 25.924 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -10.596 1.567 26.033 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -11.427 2.087 22.588 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -11.077 2.868 24.134 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.473 -5.570 22.919 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.200 -6.262 21.694 1.00 0.00 C ATOM 1620 C ASN A 102 -8.510 -5.404 20.509 1.00 0.00 C ATOM 1621 O ASN A 102 -9.384 -4.538 20.547 1.00 0.00 O ATOM 1622 CB ASN A 102 -9.005 -7.579 21.569 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.499 -7.351 21.826 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.943 -7.219 22.973 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.295 -7.343 20.713 1.00 0.00 N ATOM 0 H ASN A 102 -9.354 -5.858 23.344 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.137 -6.501 21.715 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.866 -7.998 20.573 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.620 -8.311 22.279 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.304 -7.224 20.808 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.880 -7.456 19.788 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.769 -5.674 19.416 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.901 -4.994 18.160 1.00 0.00 C ATOM 1634 C VAL A 103 -8.543 -5.958 17.213 1.00 0.00 C ATOM 1635 O VAL A 103 -8.480 -7.167 17.422 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.561 -4.572 17.577 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -6.010 -3.382 18.383 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.560 -5.743 17.575 1.00 0.00 C ATOM 0 H VAL A 103 -7.048 -6.396 19.407 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.487 -4.088 18.312 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.706 -4.269 16.540 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.049 -3.076 17.969 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.711 -2.549 18.328 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.879 -3.677 19.424 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.612 -5.410 17.153 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.401 -6.088 18.597 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.958 -6.561 16.974 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.154 -5.431 16.129 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.528 -6.231 14.996 1.00 0.00 C ATOM 1650 C VAL A 104 -8.620 -5.742 13.919 1.00 0.00 C ATOM 1651 O VAL A 104 -8.919 -4.746 13.267 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.958 -6.010 14.532 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.246 -6.767 13.220 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.906 -6.538 15.609 1.00 0.00 C ATOM 0 H VAL A 104 -9.390 -4.443 16.038 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.454 -7.290 15.242 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.104 -4.944 14.359 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.277 -6.588 12.915 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.571 -6.414 12.440 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.094 -7.835 13.375 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.938 -6.387 15.291 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.726 -7.602 15.763 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.731 -6.002 16.542 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.491 -6.436 13.696 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.611 -6.020 12.624 1.00 0.00 C ATOM 1666 C VAL A 105 -7.023 -6.837 11.445 1.00 0.00 C ATOM 1667 O VAL A 105 -7.185 -8.050 11.556 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.124 -6.136 12.847 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.738 -5.165 13.974 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.644 -7.568 13.132 1.00 0.00 C ATOM 0 H VAL A 105 -7.186 -7.252 14.226 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.732 -4.943 12.508 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.616 -5.868 11.921 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.665 -5.228 14.157 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.997 -4.147 13.682 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.277 -5.430 14.883 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.564 -7.567 13.281 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.134 -7.944 14.030 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.893 -8.210 12.287 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.205 -6.192 10.281 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.537 -6.926 9.097 1.00 0.00 C ATOM 1682 C ALA A 106 -6.252 -7.320 8.470 1.00 0.00 C ATOM 1683 O ALA A 106 -5.417 -6.462 8.177 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.362 -6.140 8.077 1.00 0.00 C ATOM 0 H ALA A 106 -7.125 -5.183 10.157 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.159 -7.772 9.389 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.568 -6.771 7.212 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.302 -5.829 8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -7.804 -5.259 7.759 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.085 -8.648 8.285 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.868 -9.218 7.794 1.00 0.00 C ATOM 1692 C CYS A 107 -4.980 -9.487 6.335 1.00 0.00 C ATOM 1693 O CYS A 107 -6.017 -9.928 5.841 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.509 -10.568 8.444 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.207 -10.428 10.223 1.00 0.00 S ATOM 0 H CYS A 107 -6.812 -9.336 8.481 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.097 -8.485 8.034 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.319 -11.276 8.272 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.621 -10.975 7.960 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.860 -9.251 5.630 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.684 -9.681 4.277 1.00 0.00 C ATOM 1702 C GLU A 108 -2.239 -10.050 4.191 1.00 0.00 C ATOM 1703 O GLU A 108 -1.378 -9.267 4.586 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.993 -8.579 3.240 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.914 -9.020 1.769 1.00 0.00 C ATOM 1706 CD GLU A 108 -4.907 -10.150 1.529 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -6.128 -9.922 1.736 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.455 -11.259 1.136 1.00 0.00 O ATOM 0 H GLU A 108 -3.057 -8.749 6.009 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.369 -10.497 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.994 -8.192 3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.297 -7.754 3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.137 -8.179 1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.903 -9.351 1.530 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.960 -11.268 3.667 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.658 -11.852 3.402 1.00 0.00 C ATOM 1717 C ASN A 109 0.164 -12.176 4.625 1.00 0.00 C ATOM 1718 O ASN A 109 1.364 -12.426 4.511 1.00 0.00 O ATOM 1719 CB ASN A 109 0.198 -11.170 2.284 1.00 0.00 C ATOM 1720 CG ASN A 109 0.845 -9.819 2.644 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.815 -9.729 3.404 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.294 -8.732 2.020 1.00 0.00 N ATOM 0 H ASN A 109 -2.712 -11.905 3.404 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.957 -12.809 2.974 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.989 -11.860 1.991 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.437 -11.023 1.410 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.685 -7.803 2.175 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.507 -8.852 1.400 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.462 -12.204 5.825 1.00 0.00 N ATOM 1730 CA GLY A 110 0.219 -12.525 7.051 1.00 0.00 C ATOM 1731 C GLY A 110 0.649 -11.266 7.741 1.00 0.00 C ATOM 1732 O GLY A 110 1.284 -11.318 8.794 1.00 0.00 O ATOM 0 H GLY A 110 -1.454 -12.001 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.439 -13.100 7.702 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.087 -13.150 6.842 1.00 0.00 H new ATOM 1736 N LEU A 111 0.301 -10.107 7.152 1.00 0.00 N ATOM 1737 CA LEU A 111 0.621 -8.820 7.690 1.00 0.00 C ATOM 1738 C LEU A 111 -0.689 -8.217 8.054 1.00 0.00 C ATOM 1739 O LEU A 111 -1.615 -8.343 7.262 1.00 0.00 O ATOM 1740 CB LEU A 111 1.159 -7.875 6.615 1.00 0.00 C ATOM 1741 CG LEU A 111 2.670 -7.611 6.675 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.556 -8.823 6.933 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.164 -6.867 5.428 1.00 0.00 C ATOM 0 H LEU A 111 -0.219 -10.064 6.275 1.00 0.00 H new ATOM 0 HA LEU A 111 1.347 -8.940 8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.917 -8.289 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.636 -6.922 6.697 1.00 0.00 H new ATOM 0 HG LEU A 111 2.775 -6.985 7.561 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.601 -8.512 6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.291 -9.270 7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.411 -9.555 6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.238 -6.698 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.955 -7.465 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.651 -5.909 5.349 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.835 -7.551 9.173 1.00 0.00 N ATOM 1756 CA PRO A 112 -1.984 -6.728 9.426 1.00 0.00 C ATOM 1757 C PRO A 112 -1.877 -5.534 8.524 1.00 0.00 C ATOM 1758 O PRO A 112 -0.997 -4.714 8.736 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.803 -6.330 10.888 1.00 0.00 C ATOM 1760 CG PRO A 112 -1.087 -7.524 11.503 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.125 -7.903 10.387 1.00 0.00 C ATOM 0 HA PRO A 112 -2.951 -7.200 9.250 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -1.215 -5.418 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.761 -6.144 11.374 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.566 -7.261 12.423 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.774 -8.335 11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.816 -7.359 10.470 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.117 -8.965 10.413 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.756 -5.394 7.513 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.650 -4.289 6.602 1.00 0.00 C ATOM 1771 C VAL A 113 -3.551 -3.175 7.038 1.00 0.00 C ATOM 1772 O VAL A 113 -3.431 -2.058 6.536 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.935 -4.649 5.156 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.780 -5.543 4.661 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.309 -5.332 5.001 1.00 0.00 C ATOM 0 H VAL A 113 -3.529 -6.033 7.326 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.608 -3.972 6.635 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.988 -3.747 4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.955 -5.821 3.621 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.839 -4.998 4.738 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.729 -6.443 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.478 -5.575 3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.330 -6.247 5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.092 -4.657 5.348 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.495 -3.456 7.965 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.530 -2.502 8.256 1.00 0.00 C ATOM 1787 C HIS A 114 -5.981 -2.802 9.649 1.00 0.00 C ATOM 1788 O HIS A 114 -5.465 -3.718 10.285 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.676 -2.645 7.219 1.00 0.00 C ATOM 1790 CG HIS A 114 -8.038 -2.084 7.547 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -8.345 -0.765 7.354 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -9.161 -2.693 8.010 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.617 -0.579 7.687 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -10.134 -1.733 8.087 1.00 0.00 N ATOM 0 H HIS A 114 -4.542 -4.322 8.501 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.185 -1.470 8.190 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.342 -2.176 6.294 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.800 -3.708 7.011 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.266 -3.736 8.268 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.146 0.361 7.640 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -11.094 -1.880 8.399 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.941 -2.003 10.158 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.493 -2.149 11.470 1.00 0.00 C ATOM 1805 C LEU A 115 -8.801 -1.454 11.406 1.00 0.00 C ATOM 1806 O LEU A 115 -8.912 -0.340 10.895 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.583 -1.511 12.527 1.00 0.00 C ATOM 1808 CG LEU A 115 -7.120 -1.086 13.912 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -7.754 -2.212 14.735 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.035 -0.414 14.764 1.00 0.00 C ATOM 0 H LEU A 115 -7.346 -1.227 9.635 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.596 -3.195 11.757 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.768 -2.212 12.706 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -6.145 -0.622 12.072 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.913 -0.378 13.670 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -8.100 -1.815 15.689 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -8.599 -2.631 14.188 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.015 -2.993 14.914 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.454 -0.131 15.730 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.210 -1.109 14.917 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -5.670 0.476 14.252 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.821 -2.142 11.942 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.160 -1.653 11.992 1.00 0.00 C ATOM 1824 C ASP A 116 -11.263 -0.845 13.236 1.00 0.00 C ATOM 1825 O ASP A 116 -10.871 -1.282 14.316 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.221 -2.764 12.053 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.191 -3.550 10.747 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.228 -4.334 10.535 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.146 -3.377 9.943 1.00 0.00 O ATOM 0 H ASP A 116 -9.710 -3.069 12.354 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.354 -1.087 11.081 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.025 -3.427 12.896 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.210 -2.333 12.210 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.813 0.376 13.093 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.908 1.333 14.157 1.00 0.00 C ATOM 1836 C GLN A 117 -13.350 1.363 14.583 1.00 0.00 C ATOM 1837 O GLN A 117 -13.906 2.433 14.823 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.530 2.751 13.663 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.131 2.882 13.029 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.080 3.233 14.083 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.504 4.326 14.061 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -8.820 2.265 15.007 1.00 0.00 N ATOM 0 H GLN A 117 -12.204 0.709 12.211 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.233 1.054 14.966 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.272 3.072 12.932 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.594 3.439 14.506 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.861 1.946 12.539 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.148 3.652 12.258 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.328 1.381 14.976 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.118 2.425 15.729 1.00 0.00 H new ATOM 1851 N SER A 118 -13.991 0.172 14.657 1.00 0.00 N ATOM 1852 CA SER A 118 -15.403 0.035 14.878 1.00 0.00 C ATOM 1853 C SER A 118 -15.632 -0.214 16.329 1.00 0.00 C ATOM 1854 O SER A 118 -16.697 0.093 16.865 1.00 0.00 O ATOM 1855 CB SER A 118 -16.005 -1.151 14.112 1.00 0.00 C ATOM 1856 OG SER A 118 -15.791 -0.985 12.718 1.00 0.00 O ATOM 0 H SER A 118 -13.509 -0.722 14.560 1.00 0.00 H new ATOM 0 HA SER A 118 -15.878 0.952 14.530 1.00 0.00 H new ATOM 0 HB2 SER A 118 -15.550 -2.082 14.450 1.00 0.00 H new ATOM 0 HB3 SER A 118 -17.073 -1.224 14.319 1.00 0.00 H new ATOM 0 HG SER A 118 -16.176 -1.746 12.235 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.607 -0.792 16.985 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.605 -1.054 18.393 1.00 0.00 C ATOM 1864 C ILE A 119 -14.293 0.197 19.121 1.00 0.00 C ATOM 1865 O ILE A 119 -14.772 0.423 20.231 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.561 -2.044 18.865 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.287 -2.180 17.987 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.274 -3.363 19.149 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -12.385 -3.051 16.731 1.00 0.00 C ATOM 0 H ILE A 119 -13.749 -1.087 16.518 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.595 -1.466 18.591 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.116 -1.650 19.779 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.981 -1.180 17.680 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.488 -2.579 18.612 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.550 -4.102 19.492 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.029 -3.210 19.920 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -14.753 -3.721 18.238 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -11.424 -3.056 16.216 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -12.650 -4.070 17.014 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.150 -2.648 16.068 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.435 1.026 18.495 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.836 2.157 19.127 1.00 0.00 C ATOM 1883 C PHE A 120 -13.516 3.374 18.601 1.00 0.00 C ATOM 1884 O PHE A 120 -12.992 4.482 18.696 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.351 2.258 18.770 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.616 0.978 19.028 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.881 0.118 20.082 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.608 0.642 18.150 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -10.093 -0.998 20.286 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.821 -0.469 18.347 1.00 0.00 C ATOM 1891 CZ PHE A 120 -9.046 -1.281 19.437 1.00 0.00 C ATOM 0 H PHE A 120 -13.152 0.904 17.523 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.935 2.062 20.208 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.250 2.527 17.719 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.894 3.060 19.350 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.707 0.321 20.747 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.432 1.266 17.286 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.300 -1.654 21.118 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.030 -0.704 17.650 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.407 -2.132 19.624 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.717 3.157 18.033 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.543 4.175 17.439 1.00 0.00 C ATOM 1903 C ARG A 121 -16.117 5.017 18.528 1.00 0.00 C ATOM 1904 O ARG A 121 -16.214 6.237 18.393 1.00 0.00 O ATOM 1905 CB ARG A 121 -16.688 3.572 16.591 1.00 0.00 C ATOM 1906 CG ARG A 121 -17.479 4.560 15.715 1.00 0.00 C ATOM 1907 CD ARG A 121 -18.801 5.049 16.326 1.00 0.00 C ATOM 1908 NE ARG A 121 -19.476 5.946 15.337 1.00 0.00 N ATOM 1909 CZ ARG A 121 -20.398 5.486 14.438 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -20.730 4.163 14.385 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -20.992 6.365 13.578 1.00 0.00 N ATOM 0 H ARG A 121 -15.136 2.228 17.983 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.924 4.773 16.771 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.266 2.803 15.944 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -17.387 3.075 17.264 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -16.849 5.425 15.508 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.692 4.085 14.757 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -19.443 4.202 16.569 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -18.613 5.584 17.257 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.240 6.938 15.333 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.288 3.500 15.022 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.420 3.837 13.708 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -20.747 7.355 13.610 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.681 6.032 12.904 1.00 0.00 H new ATOM 1925 N ARG A 122 -16.515 4.347 19.627 1.00 0.00 N ATOM 1926 CA ARG A 122 -17.082 4.984 20.775 1.00 0.00 C ATOM 1927 C ARG A 122 -15.984 5.730 21.497 1.00 0.00 C ATOM 1928 O ARG A 122 -14.883 5.192 21.622 1.00 0.00 O ATOM 1929 CB ARG A 122 -17.756 3.972 21.733 1.00 0.00 C ATOM 1930 CG ARG A 122 -16.852 2.814 22.198 1.00 0.00 C ATOM 1931 CD ARG A 122 -17.601 1.722 22.968 1.00 0.00 C ATOM 1932 NE ARG A 122 -18.518 1.029 22.017 1.00 0.00 N ATOM 1933 CZ ARG A 122 -19.244 -0.056 22.415 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -19.147 -0.519 23.694 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -20.074 -0.679 21.527 1.00 0.00 N ATOM 0 H ARG A 122 -16.440 3.334 19.718 1.00 0.00 H new ATOM 0 HA ARG A 122 -17.861 5.670 20.442 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -18.114 4.509 22.611 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -18.632 3.553 21.237 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -16.371 2.368 21.328 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -16.060 3.214 22.830 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -16.897 1.012 23.403 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -18.166 2.157 23.792 1.00 0.00 H new ATOM 0 HE ARG A 122 -18.603 1.370 21.059 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -18.529 -0.054 24.359 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -19.692 -1.330 23.985 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -20.149 -0.333 20.570 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -20.618 -1.490 21.820 1.00 0.00 H new ATOM 1949 N PRO A 123 -16.193 6.944 21.976 1.00 0.00 N ATOM 1950 CA PRO A 123 -15.227 7.604 22.800 1.00 0.00 C ATOM 1951 C PRO A 123 -15.282 6.872 24.114 1.00 0.00 C ATOM 1952 O PRO A 123 -14.194 6.464 24.603 1.00 0.00 O ATOM 1953 CB PRO A 123 -15.714 9.052 22.907 1.00 0.00 C ATOM 1954 CG PRO A 123 -17.213 8.997 22.591 1.00 0.00 C ATOM 1955 CD PRO A 123 -17.342 7.780 21.674 1.00 0.00 C ATOM 1956 OXT PRO A 123 -16.398 6.709 24.679 1.00 0.00 O ATOM 0 HA PRO A 123 -14.200 7.606 22.434 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -15.536 9.454 23.904 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -15.187 9.698 22.204 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.810 8.882 23.496 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -17.553 9.908 22.098 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -18.275 7.247 21.858 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -17.346 8.077 20.625 1.00 0.00 H new TER 1964 PRO A 123