USER MOD reduce.3.24.130724 H: found=0, std=0, add=747, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 747 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 96 ASN : amide:sc= 0.595 K(o=1.1,f=-6.4!) USER MOD Set 1.2: A 101 ASN : amide:sc= 0.466 K(o=1.1,f=-16!) USER MOD Set 2.1: A 97 ASN : amide:sc= -0.479! C(o=-0.68!,f=-17!) USER MOD Set 2.2: A 98 ASN : amide:sc= -0.202 K(o=-0.68,f=-7.1) USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 1.05 USER MOD Set 3.2: A 71 THR OG1 : rot -139:sc= 1.25 USER MOD Set 4.1: A 48 ASN : amide:sc= 0.245 K(o=1.3,f=-5.3!) USER MOD Set 4.2: A 50 ASN : amide:sc= 0.584 K(o=1.3,f=0.23) USER MOD Set 4.3: A 52 ASN : amide:sc= 0.464 K(o=1.3,f=-0.5) USER MOD Set 5.1: A 24 LYS NZ :NH3+ 165:sc= 2.25 (180deg=0.767) USER MOD Set 5.2: A 69 TYR OH : rot 165:sc= 1.14 USER MOD Single : A 5 SER OG : rot -55:sc= 0.166 USER MOD Single : A 6 SER OG : rot 90:sc= -2.22! USER MOD Single : A 8 SER OG : rot 167:sc= 0.0841 USER MOD Single : A 10 GLN : amide:sc= 0.25 K(o=0.25,f=-0.57) USER MOD Single : A 13 SER OG : rot -76:sc= 1.24 USER MOD Single : A 14 TYR OH : rot -30:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.461 X(o=-0.46,f=-0.48) USER MOD Single : A 16 TYR OH : rot -105:sc= 0.454 USER MOD Single : A 19 SER OG : rot -76:sc= 1.27 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 20:sc= 1.3 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 0.00105 (180deg=-0.00057) USER MOD Single : A 29 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 147:sc= 1.01 (180deg=-1.72!) USER MOD Single : A 35 LYS NZ :NH3+ -141:sc= -1.6! (180deg=-4.12!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.817 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.022 K(o=-0.022,f=-0.53) USER MOD Single : A 49 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4!) USER MOD Single : A 57 SER OG : rot -12:sc= 1.19 USER MOD Single : A 63 SER OG : rot 180:sc= 0.0244 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot -121:sc= 1.23 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= 1.1 (180deg=0.912) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 1.2 (180deg=1.07) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.105) USER MOD Single : A 86 TYR OH : rot 59:sc= 0.743 USER MOD Single : A 89 SER OG : rot -42:sc= 1.12 USER MOD Single : A 91 LYS NZ :NH3+ -169:sc=-0.00516 (180deg=-0.131) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0969 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot -154:sc= 1.28 USER MOD Single : A 103 GLN : amide:sc= -2.08! K(o=-2.1!,f=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0.0789 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N PRO A 4 -6.738 11.940 8.746 1.00 0.00 N ATOM 44 CA PRO A 4 -6.737 10.742 9.580 1.00 0.00 C ATOM 45 C PRO A 4 -5.520 10.660 10.487 1.00 0.00 C ATOM 46 O PRO A 4 -4.467 11.238 10.210 1.00 0.00 O ATOM 47 CB PRO A 4 -6.717 9.585 8.578 1.00 0.00 C ATOM 48 CG PRO A 4 -6.314 10.198 7.281 1.00 0.00 C ATOM 49 CD PRO A 4 -6.823 11.605 7.317 1.00 0.00 C ATOM 0 HA PRO A 4 -7.599 10.730 10.247 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -6.012 8.812 8.884 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -7.696 9.112 8.503 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -5.231 10.177 7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -6.740 9.650 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.214 12.272 6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -7.845 11.676 6.944 1.00 0.00 H new ATOM 57 N SER A 5 -5.673 9.911 11.556 1.00 0.00 N ATOM 58 CA SER A 5 -4.622 9.734 12.541 1.00 0.00 C ATOM 59 C SER A 5 -3.698 8.599 12.111 1.00 0.00 C ATOM 60 O SER A 5 -3.406 7.680 12.880 1.00 0.00 O ATOM 61 CB SER A 5 -5.234 9.438 13.913 1.00 0.00 C ATOM 62 OG SER A 5 -4.249 9.459 14.932 1.00 0.00 O ATOM 0 H SER A 5 -6.532 9.404 11.770 1.00 0.00 H new ATOM 0 HA SER A 5 -4.039 10.652 12.614 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.006 10.174 14.136 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.720 8.462 13.894 1.00 0.00 H new ATOM 0 HG SER A 5 -3.530 8.833 14.705 1.00 0.00 H new ATOM 68 N SER A 6 -3.258 8.658 10.872 1.00 0.00 N ATOM 69 CA SER A 6 -2.395 7.632 10.326 1.00 0.00 C ATOM 70 C SER A 6 -0.965 8.150 10.141 1.00 0.00 C ATOM 71 O SER A 6 -0.646 9.282 10.518 1.00 0.00 O ATOM 72 CB SER A 6 -2.962 7.144 8.996 1.00 0.00 C ATOM 73 OG SER A 6 -2.286 5.985 8.550 1.00 0.00 O ATOM 0 H SER A 6 -3.485 9.410 10.221 1.00 0.00 H new ATOM 0 HA SER A 6 -2.356 6.800 11.030 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.025 6.929 9.107 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.873 7.932 8.248 1.00 0.00 H new ATOM 0 HG SER A 6 -2.736 5.188 8.901 1.00 0.00 H new ATOM 79 N ALA A 7 -0.119 7.310 9.556 1.00 0.00 N ATOM 80 CA ALA A 7 1.278 7.643 9.319 1.00 0.00 C ATOM 81 C ALA A 7 1.448 8.256 7.932 1.00 0.00 C ATOM 82 O ALA A 7 0.534 8.891 7.409 1.00 0.00 O ATOM 83 CB ALA A 7 2.140 6.396 9.461 1.00 0.00 C ATOM 0 H ALA A 7 -0.384 6.379 9.233 1.00 0.00 H new ATOM 0 HA ALA A 7 1.598 8.376 10.060 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.184 6.653 9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.033 5.992 10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.821 5.648 8.735 1.00 0.00 H new ATOM 89 N SER A 8 2.620 8.070 7.340 1.00 0.00 N ATOM 90 CA SER A 8 2.896 8.592 6.009 1.00 0.00 C ATOM 91 C SER A 8 1.936 7.987 4.984 1.00 0.00 C ATOM 92 O SER A 8 1.601 8.613 3.980 1.00 0.00 O ATOM 93 CB SER A 8 4.336 8.270 5.623 1.00 0.00 C ATOM 94 OG SER A 8 5.160 8.190 6.777 1.00 0.00 O ATOM 0 H SER A 8 3.396 7.560 7.762 1.00 0.00 H new ATOM 0 HA SER A 8 2.754 9.673 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.370 7.325 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.718 9.038 4.950 1.00 0.00 H new ATOM 0 HG SER A 8 6.018 7.780 6.539 1.00 0.00 H new ATOM 100 N VAL A 9 1.496 6.766 5.254 1.00 0.00 N ATOM 101 CA VAL A 9 0.585 6.064 4.371 1.00 0.00 C ATOM 102 C VAL A 9 -0.302 5.109 5.160 1.00 0.00 C ATOM 103 O VAL A 9 0.100 4.593 6.202 1.00 0.00 O ATOM 104 CB VAL A 9 1.365 5.294 3.278 1.00 0.00 C ATOM 105 CG1 VAL A 9 2.587 4.641 3.863 1.00 0.00 C ATOM 106 CG2 VAL A 9 0.509 4.238 2.593 1.00 0.00 C ATOM 0 H VAL A 9 1.760 6.240 6.087 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.051 6.804 3.885 1.00 0.00 H new ATOM 0 HB VAL A 9 1.660 6.027 2.528 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.123 4.104 3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.238 5.404 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.287 3.941 4.643 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.101 3.726 1.835 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.162 3.516 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.350 4.716 2.121 1.00 0.00 H new ATOM 116 N GLN A 10 -1.512 4.912 4.659 1.00 0.00 N ATOM 117 CA GLN A 10 -2.460 3.977 5.231 1.00 0.00 C ATOM 118 C GLN A 10 -3.154 3.237 4.095 1.00 0.00 C ATOM 119 O GLN A 10 -3.227 3.734 2.972 1.00 0.00 O ATOM 120 CB GLN A 10 -3.507 4.725 6.062 1.00 0.00 C ATOM 121 CG GLN A 10 -4.387 3.811 6.899 1.00 0.00 C ATOM 122 CD GLN A 10 -5.654 4.493 7.370 1.00 0.00 C ATOM 123 OE1 GLN A 10 -5.691 5.114 8.436 1.00 0.00 O ATOM 124 NE2 GLN A 10 -6.713 4.363 6.587 1.00 0.00 N ATOM 0 H GLN A 10 -1.864 5.403 3.837 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.935 3.275 5.879 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -3.000 5.430 6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.138 5.311 5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.649 2.930 6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.823 3.463 7.764 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.640 3.841 5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.602 4.784 6.857 1.00 0.00 H new ATOM 133 N LEU A 11 -3.641 2.049 4.365 1.00 0.00 N ATOM 134 CA LEU A 11 -4.454 1.341 3.400 1.00 0.00 C ATOM 135 C LEU A 11 -5.902 1.773 3.525 1.00 0.00 C ATOM 136 O LEU A 11 -6.395 2.033 4.625 1.00 0.00 O ATOM 137 CB LEU A 11 -4.360 -0.162 3.618 1.00 0.00 C ATOM 138 CG LEU A 11 -5.314 -0.996 2.762 1.00 0.00 C ATOM 139 CD1 LEU A 11 -4.798 -1.113 1.333 1.00 0.00 C ATOM 140 CD2 LEU A 11 -5.511 -2.356 3.400 1.00 0.00 C ATOM 0 H LEU A 11 -3.490 1.552 5.243 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.084 1.579 2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.338 -0.481 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.557 -0.375 4.669 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.282 -0.497 2.712 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.493 -1.711 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.712 -0.119 0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.820 -1.594 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.191 -2.949 2.789 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.550 -2.866 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.933 -2.232 4.397 1.00 0.00 H new ATOM 152 N ASP A 12 -6.575 1.862 2.393 1.00 0.00 N ATOM 153 CA ASP A 12 -7.998 2.129 2.382 1.00 0.00 C ATOM 154 C ASP A 12 -8.761 0.824 2.489 1.00 0.00 C ATOM 155 O ASP A 12 -9.425 0.558 3.491 1.00 0.00 O ATOM 156 CB ASP A 12 -8.399 2.855 1.101 1.00 0.00 C ATOM 157 CG ASP A 12 -9.896 3.051 1.000 1.00 0.00 C ATOM 158 OD1 ASP A 12 -10.418 4.032 1.564 1.00 0.00 O ATOM 159 OD2 ASP A 12 -10.561 2.216 0.356 1.00 0.00 O ATOM 0 H ASP A 12 -6.157 1.753 1.469 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.240 2.766 3.233 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.904 3.825 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.050 2.287 0.239 1.00 0.00 H new ATOM 164 N SER A 13 -8.626 0.004 1.456 1.00 0.00 N ATOM 165 CA SER A 13 -9.299 -1.295 1.396 1.00 0.00 C ATOM 166 C SER A 13 -8.931 -2.058 0.133 1.00 0.00 C ATOM 167 O SER A 13 -8.454 -1.485 -0.847 1.00 0.00 O ATOM 168 CB SER A 13 -10.822 -1.115 1.474 1.00 0.00 C ATOM 169 OG SER A 13 -11.303 -0.303 0.412 1.00 0.00 O ATOM 0 H SER A 13 -8.052 0.214 0.639 1.00 0.00 H new ATOM 0 HA SER A 13 -8.962 -1.878 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.308 -2.090 1.437 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.088 -0.662 2.429 1.00 0.00 H new ATOM 0 HG SER A 13 -11.089 0.636 0.595 1.00 0.00 H new ATOM 175 N TYR A 14 -9.152 -3.361 0.183 1.00 0.00 N ATOM 176 CA TYR A 14 -8.867 -4.253 -0.922 1.00 0.00 C ATOM 177 C TYR A 14 -9.803 -5.448 -0.856 1.00 0.00 C ATOM 178 O TYR A 14 -10.418 -5.706 0.179 1.00 0.00 O ATOM 179 CB TYR A 14 -7.401 -4.701 -0.875 1.00 0.00 C ATOM 180 CG TYR A 14 -7.024 -5.456 0.381 1.00 0.00 C ATOM 181 CD1 TYR A 14 -7.267 -6.811 0.491 1.00 0.00 C ATOM 182 CD2 TYR A 14 -6.416 -4.816 1.445 1.00 0.00 C ATOM 183 CE1 TYR A 14 -6.920 -7.514 1.627 1.00 0.00 C ATOM 184 CE2 TYR A 14 -6.065 -5.508 2.591 1.00 0.00 C ATOM 185 CZ TYR A 14 -6.321 -6.857 2.676 1.00 0.00 C ATOM 186 OH TYR A 14 -5.974 -7.550 3.817 1.00 0.00 O ATOM 0 H TYR A 14 -9.538 -3.831 1.001 1.00 0.00 H new ATOM 0 HA TYR A 14 -9.028 -3.731 -1.865 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.198 -5.332 -1.740 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.761 -3.823 -0.964 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.739 -7.332 -0.329 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.211 -3.758 1.381 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -7.118 -8.574 1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.593 -4.992 3.414 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.594 -8.298 3.947 1.00 0.00 H new ATOM 196 N ASN A 15 -9.930 -6.160 -1.956 1.00 0.00 N ATOM 197 CA ASN A 15 -10.765 -7.345 -1.996 1.00 0.00 C ATOM 198 C ASN A 15 -10.013 -8.482 -2.651 1.00 0.00 C ATOM 199 O ASN A 15 -9.082 -8.260 -3.435 1.00 0.00 O ATOM 200 CB ASN A 15 -12.073 -7.067 -2.739 1.00 0.00 C ATOM 201 CG ASN A 15 -13.029 -8.247 -2.733 1.00 0.00 C ATOM 202 OD1 ASN A 15 -13.080 -9.025 -3.687 1.00 0.00 O ATOM 203 ND2 ASN A 15 -13.772 -8.403 -1.650 1.00 0.00 N ATOM 0 H ASN A 15 -9.465 -5.939 -2.837 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.015 -7.628 -0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.565 -6.207 -2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -11.847 -6.797 -3.770 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.417 -9.190 -1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.700 -7.736 -0.882 1.00 0.00 H new ATOM 210 N TYR A 16 -10.439 -9.684 -2.341 1.00 0.00 N ATOM 211 CA TYR A 16 -9.757 -10.884 -2.782 1.00 0.00 C ATOM 212 C TYR A 16 -10.760 -11.881 -3.343 1.00 0.00 C ATOM 213 O TYR A 16 -11.896 -11.986 -2.871 1.00 0.00 O ATOM 214 CB TYR A 16 -8.981 -11.515 -1.622 1.00 0.00 C ATOM 215 CG TYR A 16 -8.091 -12.669 -2.019 1.00 0.00 C ATOM 216 CD1 TYR A 16 -7.029 -12.492 -2.896 1.00 0.00 C ATOM 217 CD2 TYR A 16 -8.316 -13.939 -1.510 1.00 0.00 C ATOM 218 CE1 TYR A 16 -6.220 -13.551 -3.257 1.00 0.00 C ATOM 219 CE2 TYR A 16 -7.509 -15.002 -1.865 1.00 0.00 C ATOM 220 CZ TYR A 16 -6.464 -14.803 -2.738 1.00 0.00 C ATOM 221 OH TYR A 16 -5.668 -15.862 -3.102 1.00 0.00 O ATOM 0 H TYR A 16 -11.269 -9.861 -1.775 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.051 -10.613 -3.567 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.369 -10.746 -1.150 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.692 -11.862 -0.872 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.833 -11.511 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -9.135 -14.099 -0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.400 -13.398 -3.943 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.697 -15.985 -1.459 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.155 -16.437 -3.728 1.00 0.00 H new ATOM 231 N ASP A 17 -10.307 -12.617 -4.330 1.00 0.00 N ATOM 232 CA ASP A 17 -11.119 -13.594 -5.040 1.00 0.00 C ATOM 233 C ASP A 17 -10.420 -14.943 -4.945 1.00 0.00 C ATOM 234 O ASP A 17 -9.742 -15.199 -3.956 1.00 0.00 O ATOM 235 CB ASP A 17 -11.300 -13.149 -6.499 1.00 0.00 C ATOM 236 CG ASP A 17 -12.402 -13.898 -7.226 1.00 0.00 C ATOM 237 OD1 ASP A 17 -13.588 -13.552 -7.051 1.00 0.00 O ATOM 238 OD2 ASP A 17 -12.080 -14.833 -7.988 1.00 0.00 O ATOM 0 H ASP A 17 -9.348 -12.558 -4.673 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.112 -13.677 -4.599 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.521 -12.082 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.361 -13.291 -7.033 1.00 0.00 H new ATOM 243 N GLY A 18 -10.592 -15.807 -5.936 1.00 0.00 N ATOM 244 CA GLY A 18 -9.807 -17.034 -5.991 1.00 0.00 C ATOM 245 C GLY A 18 -8.335 -16.718 -5.835 1.00 0.00 C ATOM 246 O GLY A 18 -7.703 -17.115 -4.855 1.00 0.00 O ATOM 0 H GLY A 18 -11.256 -15.686 -6.701 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -10.126 -17.715 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.979 -17.543 -6.940 1.00 0.00 H new ATOM 250 N SER A 19 -7.794 -15.992 -6.800 1.00 0.00 N ATOM 251 CA SER A 19 -6.545 -15.296 -6.610 1.00 0.00 C ATOM 252 C SER A 19 -6.582 -13.988 -7.394 1.00 0.00 C ATOM 253 O SER A 19 -6.135 -13.914 -8.540 1.00 0.00 O ATOM 254 CB SER A 19 -5.398 -16.179 -7.093 1.00 0.00 C ATOM 255 OG SER A 19 -4.141 -15.559 -6.882 1.00 0.00 O ATOM 0 H SER A 19 -8.208 -15.873 -7.725 1.00 0.00 H new ATOM 0 HA SER A 19 -6.393 -15.072 -5.554 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.427 -17.134 -6.568 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.525 -16.394 -8.154 1.00 0.00 H new ATOM 0 HG SER A 19 -4.002 -14.864 -7.558 1.00 0.00 H new ATOM 261 N THR A 20 -7.114 -12.955 -6.757 1.00 0.00 N ATOM 262 CA THR A 20 -7.202 -11.635 -7.358 1.00 0.00 C ATOM 263 C THR A 20 -7.043 -10.559 -6.284 1.00 0.00 C ATOM 264 O THR A 20 -7.557 -10.710 -5.178 1.00 0.00 O ATOM 265 CB THR A 20 -8.548 -11.437 -8.095 1.00 0.00 C ATOM 266 OG1 THR A 20 -8.780 -12.523 -9.008 1.00 0.00 O ATOM 267 CG2 THR A 20 -8.563 -10.125 -8.868 1.00 0.00 C ATOM 0 H THR A 20 -7.495 -13.009 -5.812 1.00 0.00 H new ATOM 0 HA THR A 20 -6.397 -11.548 -8.088 1.00 0.00 H new ATOM 0 HB THR A 20 -9.337 -11.412 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.635 -12.387 -9.467 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.521 -10.013 -9.376 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.419 -9.294 -8.177 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.760 -10.128 -9.605 1.00 0.00 H new ATOM 275 N PHE A 21 -6.330 -9.492 -6.599 1.00 0.00 N ATOM 276 CA PHE A 21 -6.252 -8.338 -5.722 1.00 0.00 C ATOM 277 C PHE A 21 -6.869 -7.153 -6.437 1.00 0.00 C ATOM 278 O PHE A 21 -6.701 -6.989 -7.641 1.00 0.00 O ATOM 279 CB PHE A 21 -4.791 -8.037 -5.348 1.00 0.00 C ATOM 280 CG PHE A 21 -4.611 -6.946 -4.317 1.00 0.00 C ATOM 281 CD1 PHE A 21 -4.853 -5.617 -4.633 1.00 0.00 C ATOM 282 CD2 PHE A 21 -4.197 -7.253 -3.030 1.00 0.00 C ATOM 283 CE1 PHE A 21 -4.689 -4.624 -3.691 1.00 0.00 C ATOM 284 CE2 PHE A 21 -4.030 -6.258 -2.083 1.00 0.00 C ATOM 285 CZ PHE A 21 -4.277 -4.942 -2.415 1.00 0.00 C ATOM 0 H PHE A 21 -5.794 -9.401 -7.462 1.00 0.00 H new ATOM 0 HA PHE A 21 -6.794 -8.541 -4.798 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.331 -8.951 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.250 -7.756 -6.252 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.174 -5.357 -5.631 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.002 -8.281 -2.763 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.884 -3.595 -3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.706 -6.512 -1.084 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.148 -4.164 -1.677 1.00 0.00 H new ATOM 295 N SER A 22 -7.612 -6.364 -5.706 1.00 0.00 N ATOM 296 CA SER A 22 -8.173 -5.127 -6.224 1.00 0.00 C ATOM 297 C SER A 22 -8.616 -4.251 -5.069 1.00 0.00 C ATOM 298 O SER A 22 -9.238 -4.736 -4.126 1.00 0.00 O ATOM 299 CB SER A 22 -9.346 -5.407 -7.168 1.00 0.00 C ATOM 300 OG SER A 22 -8.895 -5.769 -8.461 1.00 0.00 O ATOM 0 H SER A 22 -7.850 -6.554 -4.733 1.00 0.00 H new ATOM 0 HA SER A 22 -7.406 -4.607 -6.797 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.961 -6.208 -6.758 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.979 -4.522 -7.236 1.00 0.00 H new ATOM 0 HG SER A 22 -7.963 -6.067 -8.411 1.00 0.00 H new ATOM 306 N GLY A 23 -8.269 -2.979 -5.126 1.00 0.00 N ATOM 307 CA GLY A 23 -8.628 -2.076 -4.060 1.00 0.00 C ATOM 308 C GLY A 23 -7.997 -0.721 -4.229 1.00 0.00 C ATOM 309 O GLY A 23 -7.731 -0.286 -5.353 1.00 0.00 O ATOM 0 H GLY A 23 -7.745 -2.555 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.712 -1.969 -4.026 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.320 -2.502 -3.105 1.00 0.00 H new ATOM 313 N LYS A 24 -7.740 -0.058 -3.117 1.00 0.00 N ATOM 314 CA LYS A 24 -7.187 1.277 -3.150 1.00 0.00 C ATOM 315 C LYS A 24 -6.518 1.637 -1.826 1.00 0.00 C ATOM 316 O LYS A 24 -6.668 0.935 -0.823 1.00 0.00 O ATOM 317 CB LYS A 24 -8.278 2.275 -3.532 1.00 0.00 C ATOM 318 CG LYS A 24 -9.575 2.128 -2.758 1.00 0.00 C ATOM 319 CD LYS A 24 -10.670 2.983 -3.384 1.00 0.00 C ATOM 320 CE LYS A 24 -12.035 2.719 -2.771 1.00 0.00 C ATOM 321 NZ LYS A 24 -12.145 3.268 -1.396 1.00 0.00 N ATOM 0 H LYS A 24 -7.907 -0.425 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.406 1.318 -3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.895 3.285 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.492 2.168 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.883 1.082 -2.748 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.422 2.425 -1.721 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.418 4.037 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.712 2.787 -4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.807 3.162 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.220 1.645 -2.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.145 3.296 -1.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -11.615 2.662 -0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.752 4.230 -1.374 1.00 0.00 H new ATOM 335 N ILE A 25 -5.784 2.741 -1.834 1.00 0.00 N ATOM 336 CA ILE A 25 -4.877 3.080 -0.744 1.00 0.00 C ATOM 337 C ILE A 25 -5.062 4.541 -0.322 1.00 0.00 C ATOM 338 O ILE A 25 -5.596 5.353 -1.081 1.00 0.00 O ATOM 339 CB ILE A 25 -3.405 2.841 -1.162 1.00 0.00 C ATOM 340 CG1 ILE A 25 -3.259 1.504 -1.896 1.00 0.00 C ATOM 341 CG2 ILE A 25 -2.489 2.858 0.051 1.00 0.00 C ATOM 342 CD1 ILE A 25 -1.845 1.207 -2.345 1.00 0.00 C ATOM 0 H ILE A 25 -5.799 3.424 -2.591 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.114 2.434 0.102 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.116 3.649 -1.835 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.599 0.701 -1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.915 1.504 -2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.460 2.688 -0.267 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.560 3.826 0.547 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.789 2.072 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.820 0.245 -2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.508 1.989 -3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.187 1.173 -1.477 1.00 0.00 H new ATOM 354 N TYR A 26 -4.607 4.867 0.880 1.00 0.00 N ATOM 355 CA TYR A 26 -4.833 6.173 1.480 1.00 0.00 C ATOM 356 C TYR A 26 -3.523 6.730 2.053 1.00 0.00 C ATOM 357 O TYR A 26 -3.169 6.423 3.185 1.00 0.00 O ATOM 358 CB TYR A 26 -5.837 5.984 2.611 1.00 0.00 C ATOM 359 CG TYR A 26 -6.522 7.244 3.069 1.00 0.00 C ATOM 360 CD1 TYR A 26 -5.817 8.224 3.736 1.00 0.00 C ATOM 361 CD2 TYR A 26 -7.882 7.444 2.847 1.00 0.00 C ATOM 362 CE1 TYR A 26 -6.437 9.377 4.168 1.00 0.00 C ATOM 363 CE2 TYR A 26 -8.512 8.596 3.276 1.00 0.00 C ATOM 364 CZ TYR A 26 -7.782 9.562 3.938 1.00 0.00 C ATOM 365 OH TYR A 26 -8.395 10.719 4.366 1.00 0.00 O ATOM 0 H TYR A 26 -4.069 4.230 1.468 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.205 6.873 0.732 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.596 5.272 2.288 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.323 5.537 3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.762 8.086 3.923 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.453 6.686 2.331 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -5.868 10.135 4.686 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.567 8.739 3.095 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.345 10.694 4.125 1.00 0.00 H new ATOM 375 N VAL A 27 -2.811 7.570 1.316 1.00 0.00 N ATOM 376 CA VAL A 27 -1.467 7.951 1.754 1.00 0.00 C ATOM 377 C VAL A 27 -1.211 9.442 1.580 1.00 0.00 C ATOM 378 O VAL A 27 -1.806 10.093 0.723 1.00 0.00 O ATOM 379 CB VAL A 27 -0.350 7.111 1.053 1.00 0.00 C ATOM 380 CG1 VAL A 27 -0.933 5.997 0.202 1.00 0.00 C ATOM 381 CG2 VAL A 27 0.596 7.964 0.222 1.00 0.00 C ATOM 0 H VAL A 27 -3.123 7.991 0.441 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.423 7.726 2.820 1.00 0.00 H new ATOM 0 HB VAL A 27 0.233 6.665 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.125 5.437 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.520 5.328 0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.573 6.425 -0.569 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.350 7.327 -0.240 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.032 8.481 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.085 8.696 0.864 1.00 0.00 H new ATOM 391 N LYS A 28 -0.335 9.966 2.429 1.00 0.00 N ATOM 392 CA LYS A 28 0.037 11.368 2.435 1.00 0.00 C ATOM 393 C LYS A 28 0.916 11.672 1.230 1.00 0.00 C ATOM 394 O LYS A 28 1.716 10.837 0.820 1.00 0.00 O ATOM 395 CB LYS A 28 0.798 11.667 3.734 1.00 0.00 C ATOM 396 CG LYS A 28 1.152 13.127 3.952 1.00 0.00 C ATOM 397 CD LYS A 28 2.164 13.284 5.084 1.00 0.00 C ATOM 398 CE LYS A 28 1.678 12.652 6.386 1.00 0.00 C ATOM 399 NZ LYS A 28 0.619 13.457 7.050 1.00 0.00 N ATOM 0 H LYS A 28 0.143 9.416 3.143 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.855 11.992 2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.196 11.326 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.717 11.081 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.562 13.546 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.250 13.692 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.108 12.826 4.790 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.361 14.343 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.294 11.653 6.180 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.522 12.536 7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.300 12.968 7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.000 14.391 7.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.185 13.576 6.401 1.00 0.00 H new ATOM 413 N ASN A 29 0.761 12.849 0.656 1.00 0.00 N ATOM 414 CA ASN A 29 1.597 13.252 -0.468 1.00 0.00 C ATOM 415 C ASN A 29 2.689 14.222 -0.021 1.00 0.00 C ATOM 416 O ASN A 29 2.482 15.433 0.071 1.00 0.00 O ATOM 417 CB ASN A 29 0.762 13.839 -1.620 1.00 0.00 C ATOM 418 CG ASN A 29 -0.409 14.696 -1.171 1.00 0.00 C ATOM 419 OD1 ASN A 29 -0.384 15.320 -0.110 1.00 0.00 O ATOM 420 ND2 ASN A 29 -1.449 14.732 -1.988 1.00 0.00 N ATOM 0 H ASN A 29 0.070 13.542 0.944 1.00 0.00 H new ATOM 0 HA ASN A 29 2.083 12.355 -0.850 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.413 14.439 -2.256 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.384 13.021 -2.233 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.268 15.291 -1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.432 14.201 -2.859 1.00 0.00 H new ATOM 427 N ILE A 30 3.858 13.661 0.258 1.00 0.00 N ATOM 428 CA ILE A 30 5.001 14.420 0.732 1.00 0.00 C ATOM 429 C ILE A 30 5.638 15.193 -0.413 1.00 0.00 C ATOM 430 O ILE A 30 5.747 16.419 -0.380 1.00 0.00 O ATOM 431 CB ILE A 30 6.028 13.469 1.346 1.00 0.00 C ATOM 432 CG1 ILE A 30 5.358 12.659 2.450 1.00 0.00 C ATOM 433 CG2 ILE A 30 7.225 14.242 1.887 1.00 0.00 C ATOM 434 CD1 ILE A 30 6.273 11.649 3.066 1.00 0.00 C ATOM 0 H ILE A 30 4.038 12.662 0.160 1.00 0.00 H new ATOM 0 HA ILE A 30 4.663 15.130 1.487 1.00 0.00 H new ATOM 0 HB ILE A 30 6.398 12.790 0.577 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.999 13.337 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.485 12.150 2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.943 13.545 2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.699 14.794 1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.891 14.941 2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.741 11.103 3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.612 10.951 2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.134 12.156 3.502 1.00 0.00 H new ATOM 446 N ALA A 31 6.041 14.459 -1.431 1.00 0.00 N ATOM 447 CA ALA A 31 6.597 15.036 -2.628 1.00 0.00 C ATOM 448 C ALA A 31 5.658 14.743 -3.776 1.00 0.00 C ATOM 449 O ALA A 31 4.492 14.415 -3.551 1.00 0.00 O ATOM 450 CB ALA A 31 7.980 14.477 -2.893 1.00 0.00 C ATOM 0 H ALA A 31 5.990 13.440 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 31 6.703 16.115 -2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 31 8.385 14.924 -3.801 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.633 14.709 -2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.918 13.396 -3.017 1.00 0.00 H new ATOM 456 N TYR A 32 6.135 14.833 -4.996 1.00 0.00 N ATOM 457 CA TYR A 32 5.277 14.556 -6.124 1.00 0.00 C ATOM 458 C TYR A 32 5.776 13.347 -6.899 1.00 0.00 C ATOM 459 O TYR A 32 5.000 12.673 -7.578 1.00 0.00 O ATOM 460 CB TYR A 32 5.152 15.790 -6.996 1.00 0.00 C ATOM 461 CG TYR A 32 4.066 15.679 -8.046 1.00 0.00 C ATOM 462 CD1 TYR A 32 2.768 15.338 -7.688 1.00 0.00 C ATOM 463 CD2 TYR A 32 4.334 15.918 -9.388 1.00 0.00 C ATOM 464 CE1 TYR A 32 1.769 15.238 -8.636 1.00 0.00 C ATOM 465 CE2 TYR A 32 3.339 15.820 -10.342 1.00 0.00 C ATOM 466 CZ TYR A 32 2.059 15.481 -9.960 1.00 0.00 C ATOM 467 OH TYR A 32 1.064 15.385 -10.906 1.00 0.00 O ATOM 0 H TYR A 32 7.094 15.091 -5.230 1.00 0.00 H new ATOM 0 HA TYR A 32 4.279 14.306 -5.763 1.00 0.00 H new ATOM 0 HB2 TYR A 32 4.948 16.654 -6.363 1.00 0.00 H new ATOM 0 HB3 TYR A 32 6.106 15.975 -7.489 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.536 15.148 -6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.336 16.185 -9.691 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.765 14.971 -8.341 1.00 0.00 H new ATOM 0 HE2 TYR A 32 3.563 16.008 -11.382 1.00 0.00 H new ATOM 0 HH TYR A 32 1.433 15.588 -11.791 1.00 0.00 H new ATOM 477 N SER A 33 7.061 13.054 -6.773 1.00 0.00 N ATOM 478 CA SER A 33 7.598 11.803 -7.272 1.00 0.00 C ATOM 479 C SER A 33 7.249 10.687 -6.294 1.00 0.00 C ATOM 480 O SER A 33 8.113 10.141 -5.605 1.00 0.00 O ATOM 481 CB SER A 33 9.112 11.906 -7.456 1.00 0.00 C ATOM 482 OG SER A 33 9.445 13.024 -8.261 1.00 0.00 O ATOM 0 H SER A 33 7.748 13.665 -6.331 1.00 0.00 H new ATOM 0 HA SER A 33 7.159 11.580 -8.244 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.596 11.995 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.490 10.994 -7.918 1.00 0.00 H new ATOM 0 HG SER A 33 10.418 13.074 -8.366 1.00 0.00 H new ATOM 488 N LYS A 34 5.963 10.382 -6.224 1.00 0.00 N ATOM 489 CA LYS A 34 5.450 9.399 -5.298 1.00 0.00 C ATOM 490 C LYS A 34 5.435 8.035 -5.952 1.00 0.00 C ATOM 491 O LYS A 34 4.867 7.861 -7.031 1.00 0.00 O ATOM 492 CB LYS A 34 4.040 9.791 -4.874 1.00 0.00 C ATOM 493 CG LYS A 34 3.970 11.117 -4.156 1.00 0.00 C ATOM 494 CD LYS A 34 2.611 11.775 -4.342 1.00 0.00 C ATOM 495 CE LYS A 34 2.396 12.158 -5.799 1.00 0.00 C ATOM 496 NZ LYS A 34 1.098 12.835 -6.020 1.00 0.00 N ATOM 0 H LYS A 34 5.249 10.813 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 34 6.092 9.359 -4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.402 9.832 -5.757 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.636 9.014 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.162 10.968 -3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.751 11.778 -4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.824 11.093 -4.020 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.542 12.663 -3.713 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.204 12.814 -6.122 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.445 11.262 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.197 13.535 -6.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.380 12.131 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.804 13.315 -5.146 1.00 0.00 H new ATOM 510 N LYS A 35 6.063 7.078 -5.307 1.00 0.00 N ATOM 511 CA LYS A 35 6.148 5.739 -5.843 1.00 0.00 C ATOM 512 C LYS A 35 5.643 4.753 -4.814 1.00 0.00 C ATOM 513 O LYS A 35 6.236 4.582 -3.749 1.00 0.00 O ATOM 514 CB LYS A 35 7.584 5.422 -6.254 1.00 0.00 C ATOM 515 CG LYS A 35 8.082 6.308 -7.388 1.00 0.00 C ATOM 516 CD LYS A 35 9.504 5.973 -7.812 1.00 0.00 C ATOM 517 CE LYS A 35 9.610 4.603 -8.471 1.00 0.00 C ATOM 518 NZ LYS A 35 9.498 3.486 -7.494 1.00 0.00 N ATOM 0 H LYS A 35 6.524 7.203 -4.406 1.00 0.00 H new ATOM 0 HA LYS A 35 5.524 5.663 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.239 5.542 -5.391 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.647 4.378 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.417 6.202 -8.245 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.036 7.351 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.862 6.734 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.157 6.004 -6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.826 4.504 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.563 4.529 -8.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.165 2.731 -7.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.722 3.835 -6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.528 3.110 -7.506 1.00 0.00 H new ATOM 532 N VAL A 36 4.533 4.119 -5.123 1.00 0.00 N ATOM 533 CA VAL A 36 3.876 3.269 -4.163 1.00 0.00 C ATOM 534 C VAL A 36 3.936 1.828 -4.609 1.00 0.00 C ATOM 535 O VAL A 36 3.344 1.435 -5.616 1.00 0.00 O ATOM 536 CB VAL A 36 2.426 3.710 -3.931 1.00 0.00 C ATOM 537 CG1 VAL A 36 1.747 2.809 -2.939 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.404 5.128 -3.416 1.00 0.00 C ATOM 0 H VAL A 36 4.070 4.178 -6.030 1.00 0.00 H new ATOM 0 HA VAL A 36 4.403 3.359 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 36 1.892 3.652 -4.879 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.719 3.141 -2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.747 1.787 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.281 2.845 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.372 5.439 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.953 5.182 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.870 5.788 -4.147 1.00 0.00 H new ATOM 548 N THR A 37 4.665 1.052 -3.847 1.00 0.00 N ATOM 549 CA THR A 37 4.951 -0.318 -4.208 1.00 0.00 C ATOM 550 C THR A 37 4.481 -1.284 -3.132 1.00 0.00 C ATOM 551 O THR A 37 5.006 -1.305 -2.025 1.00 0.00 O ATOM 552 CB THR A 37 6.457 -0.488 -4.484 1.00 0.00 C ATOM 553 OG1 THR A 37 7.231 0.214 -3.501 1.00 0.00 O ATOM 554 CG2 THR A 37 6.791 0.039 -5.870 1.00 0.00 C ATOM 0 H THR A 37 5.077 1.348 -2.962 1.00 0.00 H new ATOM 0 HA THR A 37 4.400 -0.555 -5.119 1.00 0.00 H new ATOM 0 HB THR A 37 6.702 -1.549 -4.431 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.185 0.095 -3.690 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.857 -0.084 -6.059 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.224 -0.516 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.532 1.096 -5.930 1.00 0.00 H new ATOM 562 N VAL A 38 3.467 -2.058 -3.462 1.00 0.00 N ATOM 563 CA VAL A 38 2.918 -3.040 -2.534 1.00 0.00 C ATOM 564 C VAL A 38 3.778 -4.279 -2.511 1.00 0.00 C ATOM 565 O VAL A 38 3.823 -5.021 -3.482 1.00 0.00 O ATOM 566 CB VAL A 38 1.495 -3.467 -2.923 1.00 0.00 C ATOM 567 CG1 VAL A 38 0.970 -4.554 -1.983 1.00 0.00 C ATOM 568 CG2 VAL A 38 0.567 -2.279 -2.917 1.00 0.00 C ATOM 0 H VAL A 38 3.001 -2.029 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 38 2.896 -2.563 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 38 1.532 -3.879 -3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.039 -4.837 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.622 -5.426 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.953 -4.174 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.437 -2.600 -3.195 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.544 -1.840 -1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.922 -1.537 -3.632 1.00 0.00 H new ATOM 578 N VAL A 39 4.441 -4.508 -1.406 1.00 0.00 N ATOM 579 CA VAL A 39 5.254 -5.691 -1.259 1.00 0.00 C ATOM 580 C VAL A 39 4.561 -6.645 -0.299 1.00 0.00 C ATOM 581 O VAL A 39 4.403 -6.365 0.894 1.00 0.00 O ATOM 582 CB VAL A 39 6.691 -5.333 -0.808 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.240 -6.315 0.201 1.00 0.00 C ATOM 584 CG2 VAL A 39 7.603 -5.215 -2.016 1.00 0.00 C ATOM 0 H VAL A 39 4.435 -3.891 -0.594 1.00 0.00 H new ATOM 0 HA VAL A 39 5.361 -6.189 -2.223 1.00 0.00 H new ATOM 0 HB VAL A 39 6.648 -4.367 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.250 -6.019 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.602 -6.323 1.085 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.264 -7.312 -0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.611 -4.963 -1.687 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.622 -6.164 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.231 -4.433 -2.678 1.00 0.00 H new ATOM 594 N TYR A 40 4.075 -7.740 -0.845 1.00 0.00 N ATOM 595 CA TYR A 40 3.297 -8.673 -0.064 1.00 0.00 C ATOM 596 C TYR A 40 4.066 -9.931 0.289 1.00 0.00 C ATOM 597 O TYR A 40 5.011 -10.331 -0.395 1.00 0.00 O ATOM 598 CB TYR A 40 1.994 -9.035 -0.788 1.00 0.00 C ATOM 599 CG TYR A 40 2.130 -9.471 -2.236 1.00 0.00 C ATOM 600 CD1 TYR A 40 3.017 -10.460 -2.623 1.00 0.00 C ATOM 601 CD2 TYR A 40 1.334 -8.901 -3.214 1.00 0.00 C ATOM 602 CE1 TYR A 40 3.112 -10.861 -3.943 1.00 0.00 C ATOM 603 CE2 TYR A 40 1.418 -9.302 -4.530 1.00 0.00 C ATOM 604 CZ TYR A 40 2.309 -10.280 -4.890 1.00 0.00 C ATOM 605 OH TYR A 40 2.392 -10.684 -6.202 1.00 0.00 O ATOM 0 H TYR A 40 4.205 -8.003 -1.822 1.00 0.00 H new ATOM 0 HA TYR A 40 3.061 -8.169 0.873 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.505 -9.836 -0.234 1.00 0.00 H new ATOM 0 HB3 TYR A 40 1.330 -8.171 -0.751 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.647 -10.927 -1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.633 -8.126 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.816 -11.629 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.783 -8.847 -5.276 1.00 0.00 H new ATOM 0 HH TYR A 40 1.754 -10.173 -6.743 1.00 0.00 H new ATOM 615 N ALA A 41 3.648 -10.545 1.382 1.00 0.00 N ATOM 616 CA ALA A 41 4.087 -11.872 1.725 1.00 0.00 C ATOM 617 C ALA A 41 3.311 -12.838 0.875 1.00 0.00 C ATOM 618 O ALA A 41 2.292 -13.406 1.300 1.00 0.00 O ATOM 619 CB ALA A 41 3.890 -12.173 3.194 1.00 0.00 C ATOM 0 H ALA A 41 2.997 -10.133 2.050 1.00 0.00 H new ATOM 0 HA ALA A 41 5.157 -11.962 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.235 -13.185 3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.461 -11.462 3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.832 -12.090 3.444 1.00 0.00 H new ATOM 625 N ASP A 42 3.750 -12.878 -0.365 1.00 0.00 N ATOM 626 CA ASP A 42 3.229 -13.776 -1.391 1.00 0.00 C ATOM 627 C ASP A 42 3.258 -15.230 -0.956 1.00 0.00 C ATOM 628 O ASP A 42 4.020 -15.630 -0.070 1.00 0.00 O ATOM 629 CB ASP A 42 4.014 -13.594 -2.697 1.00 0.00 C ATOM 630 CG ASP A 42 4.162 -14.843 -3.547 1.00 0.00 C ATOM 631 OD1 ASP A 42 3.242 -15.142 -4.338 1.00 0.00 O ATOM 632 OD2 ASP A 42 5.210 -15.516 -3.453 1.00 0.00 O ATOM 0 H ASP A 42 4.499 -12.273 -0.703 1.00 0.00 H new ATOM 0 HA ASP A 42 2.184 -13.512 -1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.522 -12.826 -3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.009 -13.220 -2.454 1.00 0.00 H new ATOM 637 N GLY A 43 2.429 -16.001 -1.628 1.00 0.00 N ATOM 638 CA GLY A 43 2.309 -17.418 -1.358 1.00 0.00 C ATOM 639 C GLY A 43 1.910 -17.728 0.070 1.00 0.00 C ATOM 640 O GLY A 43 0.773 -17.483 0.475 1.00 0.00 O ATOM 0 H GLY A 43 1.821 -15.664 -2.375 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.571 -17.848 -2.035 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.261 -17.903 -1.575 1.00 0.00 H new ATOM 644 N SER A 44 2.849 -18.266 0.829 1.00 0.00 N ATOM 645 CA SER A 44 2.582 -18.708 2.187 1.00 0.00 C ATOM 646 C SER A 44 2.810 -17.584 3.198 1.00 0.00 C ATOM 647 O SER A 44 1.969 -17.353 4.059 1.00 0.00 O ATOM 648 CB SER A 44 3.471 -19.906 2.514 1.00 0.00 C ATOM 649 OG SER A 44 3.349 -20.914 1.517 1.00 0.00 O ATOM 0 H SER A 44 3.812 -18.408 0.524 1.00 0.00 H new ATOM 0 HA SER A 44 1.534 -19.000 2.255 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.510 -19.584 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.195 -20.315 3.486 1.00 0.00 H new ATOM 0 HG SER A 44 3.928 -21.671 1.745 1.00 0.00 H new ATOM 655 N ASP A 45 3.952 -16.907 3.077 1.00 0.00 N ATOM 656 CA ASP A 45 4.334 -15.792 3.960 1.00 0.00 C ATOM 657 C ASP A 45 5.789 -15.387 3.705 1.00 0.00 C ATOM 658 O ASP A 45 6.458 -14.850 4.589 1.00 0.00 O ATOM 659 CB ASP A 45 4.183 -16.174 5.448 1.00 0.00 C ATOM 660 CG ASP A 45 5.225 -17.182 5.916 1.00 0.00 C ATOM 661 OD1 ASP A 45 5.115 -18.375 5.563 1.00 0.00 O ATOM 662 OD2 ASP A 45 6.158 -16.788 6.648 1.00 0.00 O ATOM 0 H ASP A 45 4.647 -17.114 2.360 1.00 0.00 H new ATOM 0 HA ASP A 45 3.667 -14.959 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.258 -15.273 6.057 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.188 -16.587 5.611 1.00 0.00 H new ATOM 667 N ASN A 46 6.271 -15.590 2.485 1.00 0.00 N ATOM 668 CA ASN A 46 7.710 -15.569 2.244 1.00 0.00 C ATOM 669 C ASN A 46 8.160 -14.319 1.503 1.00 0.00 C ATOM 670 O ASN A 46 7.797 -14.102 0.344 1.00 0.00 O ATOM 671 CB ASN A 46 8.129 -16.819 1.463 1.00 0.00 C ATOM 672 CG ASN A 46 9.627 -16.882 1.209 1.00 0.00 C ATOM 673 OD1 ASN A 46 10.427 -16.364 1.987 1.00 0.00 O ATOM 674 ND2 ASN A 46 10.014 -17.522 0.117 1.00 0.00 N ATOM 0 H ASN A 46 5.699 -15.768 1.659 1.00 0.00 H new ATOM 0 HA ASN A 46 8.198 -15.559 3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 46 7.821 -17.707 2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.602 -16.839 0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.007 -17.599 -0.104 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.319 -17.938 -0.503 1.00 0.00 H new ATOM 681 N TRP A 47 8.955 -13.498 2.182 1.00 0.00 N ATOM 682 CA TRP A 47 9.616 -12.370 1.543 1.00 0.00 C ATOM 683 C TRP A 47 11.065 -12.750 1.291 1.00 0.00 C ATOM 684 O TRP A 47 11.954 -12.432 2.080 1.00 0.00 O ATOM 685 CB TRP A 47 9.582 -11.101 2.402 1.00 0.00 C ATOM 686 CG TRP A 47 8.508 -11.075 3.436 1.00 0.00 C ATOM 687 CD1 TRP A 47 8.462 -11.823 4.571 1.00 0.00 C ATOM 688 CD2 TRP A 47 7.350 -10.243 3.450 1.00 0.00 C ATOM 689 NE1 TRP A 47 7.336 -11.515 5.292 1.00 0.00 N ATOM 690 CE2 TRP A 47 6.640 -10.542 4.625 1.00 0.00 C ATOM 691 CE3 TRP A 47 6.840 -9.272 2.584 1.00 0.00 C ATOM 692 CZ2 TRP A 47 5.452 -9.902 4.952 1.00 0.00 C ATOM 693 CZ3 TRP A 47 5.667 -8.648 2.908 1.00 0.00 C ATOM 694 CH2 TRP A 47 4.985 -8.960 4.079 1.00 0.00 C ATOM 0 H TRP A 47 9.156 -13.595 3.177 1.00 0.00 H new ATOM 0 HA TRP A 47 9.085 -12.151 0.617 1.00 0.00 H new ATOM 0 HB2 TRP A 47 10.546 -10.988 2.897 1.00 0.00 H new ATOM 0 HB3 TRP A 47 9.457 -10.239 1.747 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.203 -12.553 4.862 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.063 -11.940 6.178 1.00 0.00 H new ATOM 0 HE3 TRP A 47 7.363 -9.019 1.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.918 -10.139 5.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.263 -7.899 2.242 1.00 0.00 H new ATOM 0 HH2 TRP A 47 4.063 -8.445 4.304 1.00 0.00 H new ATOM 705 N ASN A 48 11.285 -13.431 0.189 1.00 0.00 N ATOM 706 CA ASN A 48 12.614 -13.909 -0.200 1.00 0.00 C ATOM 707 C ASN A 48 13.496 -12.776 -0.725 1.00 0.00 C ATOM 708 O ASN A 48 14.193 -12.938 -1.732 1.00 0.00 O ATOM 709 CB ASN A 48 12.486 -15.008 -1.264 1.00 0.00 C ATOM 710 CG ASN A 48 11.643 -14.602 -2.469 1.00 0.00 C ATOM 711 OD1 ASN A 48 10.720 -13.790 -2.365 1.00 0.00 O ATOM 712 ND2 ASN A 48 11.944 -15.179 -3.621 1.00 0.00 N ATOM 0 H ASN A 48 10.549 -13.676 -0.474 1.00 0.00 H new ATOM 0 HA ASN A 48 13.092 -14.315 0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.482 -15.287 -1.607 1.00 0.00 H new ATOM 0 HB3 ASN A 48 12.046 -15.894 -0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.406 -14.957 -4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.714 -15.846 -3.671 1.00 0.00 H new ATOM 719 N ASN A 49 13.475 -11.641 -0.025 1.00 0.00 N ATOM 720 CA ASN A 49 14.197 -10.435 -0.441 1.00 0.00 C ATOM 721 C ASN A 49 13.877 -10.086 -1.886 1.00 0.00 C ATOM 722 O ASN A 49 14.711 -9.562 -2.624 1.00 0.00 O ATOM 723 CB ASN A 49 15.707 -10.590 -0.239 1.00 0.00 C ATOM 724 CG ASN A 49 16.119 -10.369 1.205 1.00 0.00 C ATOM 725 OD1 ASN A 49 15.490 -9.600 1.935 1.00 0.00 O ATOM 726 ND2 ASN A 49 17.180 -11.036 1.626 1.00 0.00 N ATOM 0 H ASN A 49 12.957 -11.531 0.847 1.00 0.00 H new ATOM 0 HA ASN A 49 13.862 -9.613 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 49 16.013 -11.588 -0.554 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.232 -9.879 -0.877 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.505 -10.923 2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 49 17.673 -11.663 0.991 1.00 0.00 H new ATOM 733 N ASN A 50 12.648 -10.377 -2.267 1.00 0.00 N ATOM 734 CA ASN A 50 12.165 -10.098 -3.604 1.00 0.00 C ATOM 735 C ASN A 50 11.145 -8.989 -3.503 1.00 0.00 C ATOM 736 O ASN A 50 10.798 -8.326 -4.483 1.00 0.00 O ATOM 737 CB ASN A 50 11.529 -11.361 -4.202 1.00 0.00 C ATOM 738 CG ASN A 50 11.201 -11.213 -5.678 1.00 0.00 C ATOM 739 OD1 ASN A 50 12.064 -11.384 -6.536 1.00 0.00 O ATOM 740 ND2 ASN A 50 9.943 -10.946 -5.987 1.00 0.00 N ATOM 0 H ASN A 50 11.957 -10.814 -1.657 1.00 0.00 H new ATOM 0 HA ASN A 50 12.985 -9.794 -4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 50 12.209 -12.203 -4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 50 10.617 -11.597 -3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.662 -10.876 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.254 -10.810 -5.247 1.00 0.00 H new ATOM 747 N GLY A 51 10.686 -8.793 -2.275 1.00 0.00 N ATOM 748 CA GLY A 51 9.634 -7.861 -1.995 1.00 0.00 C ATOM 749 C GLY A 51 8.302 -8.438 -2.386 1.00 0.00 C ATOM 750 O GLY A 51 7.426 -8.631 -1.549 1.00 0.00 O ATOM 0 H GLY A 51 11.041 -9.282 -1.453 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.632 -7.614 -0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.808 -6.932 -2.539 1.00 0.00 H new ATOM 754 N ASN A 52 8.193 -8.743 -3.665 1.00 0.00 N ATOM 755 CA ASN A 52 6.972 -9.269 -4.263 1.00 0.00 C ATOM 756 C ASN A 52 5.994 -8.122 -4.387 1.00 0.00 C ATOM 757 O ASN A 52 5.022 -8.015 -3.639 1.00 0.00 O ATOM 758 CB ASN A 52 6.391 -10.419 -3.427 1.00 0.00 C ATOM 759 CG ASN A 52 7.351 -11.587 -3.296 1.00 0.00 C ATOM 760 OD1 ASN A 52 8.024 -11.962 -4.253 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.461 -12.135 -2.096 1.00 0.00 N ATOM 0 H ASN A 52 8.958 -8.632 -4.330 1.00 0.00 H new ATOM 0 HA ASN A 52 7.183 -9.687 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 52 6.137 -10.049 -2.434 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.464 -10.765 -3.885 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.122 -12.896 -1.942 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.885 -11.796 -1.326 1.00 0.00 H new ATOM 768 N ILE A 53 6.282 -7.257 -5.347 1.00 0.00 N ATOM 769 CA ILE A 53 5.693 -5.937 -5.387 1.00 0.00 C ATOM 770 C ILE A 53 4.682 -5.774 -6.507 1.00 0.00 C ATOM 771 O ILE A 53 4.871 -6.252 -7.626 1.00 0.00 O ATOM 772 CB ILE A 53 6.802 -4.851 -5.493 1.00 0.00 C ATOM 773 CG1 ILE A 53 6.223 -3.459 -5.790 1.00 0.00 C ATOM 774 CG2 ILE A 53 7.837 -5.232 -6.540 1.00 0.00 C ATOM 775 CD1 ILE A 53 6.140 -3.106 -7.268 1.00 0.00 C ATOM 0 H ILE A 53 6.926 -7.453 -6.113 1.00 0.00 H new ATOM 0 HA ILE A 53 5.148 -5.808 -4.452 1.00 0.00 H new ATOM 0 HB ILE A 53 7.291 -4.800 -4.520 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.224 -3.397 -5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 53 6.835 -2.711 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.601 -4.457 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 53 8.300 -6.180 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.352 -5.333 -7.511 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.720 -2.107 -7.380 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.138 -3.131 -7.705 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.502 -3.827 -7.779 1.00 0.00 H new ATOM 787 N ILE A 54 3.597 -5.101 -6.167 1.00 0.00 N ATOM 788 CA ILE A 54 2.640 -4.625 -7.139 1.00 0.00 C ATOM 789 C ILE A 54 2.636 -3.094 -7.090 1.00 0.00 C ATOM 790 O ILE A 54 2.557 -2.498 -6.012 1.00 0.00 O ATOM 791 CB ILE A 54 1.219 -5.197 -6.878 1.00 0.00 C ATOM 792 CG1 ILE A 54 0.356 -5.074 -8.131 1.00 0.00 C ATOM 793 CG2 ILE A 54 0.538 -4.528 -5.707 1.00 0.00 C ATOM 794 CD1 ILE A 54 0.784 -6.006 -9.239 1.00 0.00 C ATOM 0 H ILE A 54 3.358 -4.870 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 54 2.930 -4.969 -8.132 1.00 0.00 H new ATOM 0 HB ILE A 54 1.339 -6.250 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.682 -5.281 -7.871 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.396 -4.047 -8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.452 -4.962 -5.565 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.133 -4.678 -4.806 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.441 -3.460 -5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.131 -5.870 -10.101 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.813 -5.784 -9.524 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.718 -7.037 -8.893 1.00 0.00 H new ATOM 806 N ALA A 55 2.798 -2.451 -8.232 1.00 0.00 N ATOM 807 CA ALA A 55 2.872 -0.998 -8.253 1.00 0.00 C ATOM 808 C ALA A 55 1.481 -0.384 -8.236 1.00 0.00 C ATOM 809 O ALA A 55 0.610 -0.768 -9.019 1.00 0.00 O ATOM 810 CB ALA A 55 3.663 -0.505 -9.454 1.00 0.00 C ATOM 0 H ALA A 55 2.880 -2.901 -9.144 1.00 0.00 H new ATOM 0 HA ALA A 55 3.397 -0.679 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.701 0.584 -9.442 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.676 -0.904 -9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.179 -0.841 -10.371 1.00 0.00 H new ATOM 816 N ALA A 56 1.275 0.559 -7.332 1.00 0.00 N ATOM 817 CA ALA A 56 -0.008 1.222 -7.193 1.00 0.00 C ATOM 818 C ALA A 56 -0.017 2.552 -7.932 1.00 0.00 C ATOM 819 O ALA A 56 1.034 3.135 -8.205 1.00 0.00 O ATOM 820 CB ALA A 56 -0.328 1.442 -5.726 1.00 0.00 C ATOM 0 H ALA A 56 1.988 0.884 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.771 0.580 -7.633 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.293 1.940 -5.635 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.366 0.481 -5.214 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.445 2.063 -5.274 1.00 0.00 H new ATOM 826 N SER A 57 -1.210 3.021 -8.252 1.00 0.00 N ATOM 827 CA SER A 57 -1.392 4.293 -8.898 1.00 0.00 C ATOM 828 C SER A 57 -2.328 5.134 -8.044 1.00 0.00 C ATOM 829 O SER A 57 -2.845 4.654 -7.038 1.00 0.00 O ATOM 830 CB SER A 57 -1.961 4.072 -10.298 1.00 0.00 C ATOM 831 OG SER A 57 -3.259 3.502 -10.253 1.00 0.00 O ATOM 0 H SER A 57 -2.080 2.521 -8.067 1.00 0.00 H new ATOM 0 HA SER A 57 -0.442 4.818 -9.002 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.999 5.023 -10.829 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.296 3.418 -10.862 1.00 0.00 H new ATOM 0 HG SER A 57 -3.449 3.193 -9.343 1.00 0.00 H new ATOM 837 N PHE A 58 -2.546 6.372 -8.428 1.00 0.00 N ATOM 838 CA PHE A 58 -3.386 7.257 -7.663 1.00 0.00 C ATOM 839 C PHE A 58 -4.459 7.896 -8.532 1.00 0.00 C ATOM 840 O PHE A 58 -4.249 8.160 -9.715 1.00 0.00 O ATOM 841 CB PHE A 58 -2.548 8.318 -6.947 1.00 0.00 C ATOM 842 CG PHE A 58 -1.680 9.119 -7.862 1.00 0.00 C ATOM 843 CD1 PHE A 58 -2.241 10.090 -8.655 1.00 0.00 C ATOM 844 CD2 PHE A 58 -0.315 8.898 -7.932 1.00 0.00 C ATOM 845 CE1 PHE A 58 -1.473 10.830 -9.505 1.00 0.00 C ATOM 846 CE2 PHE A 58 0.472 9.644 -8.788 1.00 0.00 C ATOM 847 CZ PHE A 58 -0.110 10.614 -9.580 1.00 0.00 C ATOM 0 H PHE A 58 -2.149 6.788 -9.271 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.895 6.661 -6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.215 8.993 -6.410 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.921 7.830 -6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.305 10.270 -8.605 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.138 8.137 -7.313 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.932 11.588 -10.122 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.537 9.469 -8.837 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.496 11.201 -10.254 1.00 0.00 H new ATOM 857 N SER A 59 -5.621 8.109 -7.934 1.00 0.00 N ATOM 858 CA SER A 59 -6.713 8.793 -8.600 1.00 0.00 C ATOM 859 C SER A 59 -6.521 10.294 -8.457 1.00 0.00 C ATOM 860 O SER A 59 -6.809 11.057 -9.374 1.00 0.00 O ATOM 861 CB SER A 59 -8.057 8.382 -7.993 1.00 0.00 C ATOM 862 OG SER A 59 -8.296 6.992 -8.152 1.00 0.00 O ATOM 0 H SER A 59 -5.831 7.814 -6.980 1.00 0.00 H new ATOM 0 HA SER A 59 -6.714 8.518 -9.655 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.072 8.636 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 59 -8.860 8.947 -8.467 1.00 0.00 H new ATOM 0 HG SER A 59 -9.161 6.761 -7.753 1.00 0.00 H new ATOM 868 N GLY A 60 -6.039 10.705 -7.293 1.00 0.00 N ATOM 869 CA GLY A 60 -5.728 12.097 -7.073 1.00 0.00 C ATOM 870 C GLY A 60 -5.731 12.433 -5.606 1.00 0.00 C ATOM 871 O GLY A 60 -6.268 11.671 -4.809 1.00 0.00 O ATOM 0 H GLY A 60 -5.858 10.095 -6.496 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.751 12.325 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.455 12.721 -7.593 1.00 0.00 H new ATOM 875 N PRO A 61 -5.114 13.550 -5.215 1.00 0.00 N ATOM 876 CA PRO A 61 -5.103 14.013 -3.823 1.00 0.00 C ATOM 877 C PRO A 61 -6.511 14.228 -3.281 1.00 0.00 C ATOM 878 O PRO A 61 -7.446 14.531 -4.028 1.00 0.00 O ATOM 879 CB PRO A 61 -4.346 15.342 -3.898 1.00 0.00 C ATOM 880 CG PRO A 61 -4.462 15.740 -5.321 1.00 0.00 C ATOM 881 CD PRO A 61 -4.373 14.464 -6.089 1.00 0.00 C ATOM 0 HA PRO A 61 -4.645 13.287 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.785 16.089 -3.237 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.304 15.225 -3.600 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.406 16.250 -5.512 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.665 16.427 -5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -4.827 14.546 -7.077 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.341 14.145 -6.238 1.00 0.00 H new ATOM 889 N ILE A 62 -6.651 14.080 -1.978 1.00 0.00 N ATOM 890 CA ILE A 62 -7.948 14.165 -1.330 1.00 0.00 C ATOM 891 C ILE A 62 -8.270 15.611 -0.989 1.00 0.00 C ATOM 892 O ILE A 62 -7.723 16.169 -0.038 1.00 0.00 O ATOM 893 CB ILE A 62 -7.976 13.314 -0.045 1.00 0.00 C ATOM 894 CG1 ILE A 62 -7.394 11.936 -0.325 1.00 0.00 C ATOM 895 CG2 ILE A 62 -9.394 13.185 0.490 1.00 0.00 C ATOM 896 CD1 ILE A 62 -7.203 11.101 0.909 1.00 0.00 C ATOM 0 H ILE A 62 -5.875 13.899 -1.341 1.00 0.00 H new ATOM 0 HA ILE A 62 -8.697 13.780 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 62 -7.371 13.813 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -8.052 11.406 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.434 12.052 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.387 12.580 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.789 14.175 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.024 12.707 -0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.785 10.133 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.521 11.609 1.590 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.164 10.954 1.401 1.00 0.00 H new ATOM 908 N SER A 63 -9.144 16.216 -1.780 1.00 0.00 N ATOM 909 CA SER A 63 -9.521 17.604 -1.575 1.00 0.00 C ATOM 910 C SER A 63 -10.210 17.792 -0.225 1.00 0.00 C ATOM 911 O SER A 63 -11.239 17.176 0.058 1.00 0.00 O ATOM 912 CB SER A 63 -10.413 18.082 -2.721 1.00 0.00 C ATOM 913 OG SER A 63 -11.393 17.112 -3.057 1.00 0.00 O ATOM 0 H SER A 63 -9.605 15.765 -2.570 1.00 0.00 H new ATOM 0 HA SER A 63 -8.616 18.211 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 63 -10.904 19.013 -2.437 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.799 18.298 -3.595 1.00 0.00 H new ATOM 0 HG SER A 63 -11.948 17.448 -3.791 1.00 0.00 H new ATOM 919 N GLY A 64 -9.618 18.638 0.604 1.00 0.00 N ATOM 920 CA GLY A 64 -10.115 18.842 1.945 1.00 0.00 C ATOM 921 C GLY A 64 -9.161 18.276 2.972 1.00 0.00 C ATOM 922 O GLY A 64 -9.336 18.473 4.176 1.00 0.00 O ATOM 0 H GLY A 64 -8.794 19.191 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.257 19.908 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.091 18.368 2.050 1.00 0.00 H new ATOM 926 N SER A 65 -8.148 17.573 2.489 1.00 0.00 N ATOM 927 CA SER A 65 -7.144 16.973 3.346 1.00 0.00 C ATOM 928 C SER A 65 -5.773 17.087 2.684 1.00 0.00 C ATOM 929 O SER A 65 -5.668 17.485 1.526 1.00 0.00 O ATOM 930 CB SER A 65 -7.491 15.503 3.601 1.00 0.00 C ATOM 931 OG SER A 65 -8.807 15.371 4.117 1.00 0.00 O ATOM 0 H SER A 65 -8.001 17.404 1.494 1.00 0.00 H new ATOM 0 HA SER A 65 -7.121 17.497 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.403 14.939 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.777 15.074 4.304 1.00 0.00 H new ATOM 0 HG SER A 65 -9.005 14.423 4.270 1.00 0.00 H new ATOM 937 N ASN A 66 -4.725 16.744 3.417 1.00 0.00 N ATOM 938 CA ASN A 66 -3.372 16.792 2.873 1.00 0.00 C ATOM 939 C ASN A 66 -2.877 15.385 2.576 1.00 0.00 C ATOM 940 O ASN A 66 -1.714 15.048 2.802 1.00 0.00 O ATOM 941 CB ASN A 66 -2.417 17.518 3.825 1.00 0.00 C ATOM 942 CG ASN A 66 -2.627 19.021 3.824 1.00 0.00 C ATOM 943 OD1 ASN A 66 -2.011 19.746 3.042 1.00 0.00 O ATOM 944 ND2 ASN A 66 -3.500 19.502 4.699 1.00 0.00 N ATOM 0 H ASN A 66 -4.782 16.430 4.386 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.397 17.357 1.941 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.557 17.136 4.836 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.388 17.298 3.540 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.681 20.505 4.740 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.991 18.869 5.330 1.00 0.00 H new ATOM 951 N TYR A 67 -3.791 14.560 2.087 1.00 0.00 N ATOM 952 CA TYR A 67 -3.473 13.205 1.669 1.00 0.00 C ATOM 953 C TYR A 67 -3.808 13.030 0.202 1.00 0.00 C ATOM 954 O TYR A 67 -4.337 13.938 -0.443 1.00 0.00 O ATOM 955 CB TYR A 67 -4.257 12.173 2.488 1.00 0.00 C ATOM 956 CG TYR A 67 -3.536 11.670 3.717 1.00 0.00 C ATOM 957 CD1 TYR A 67 -3.045 12.549 4.654 1.00 0.00 C ATOM 958 CD2 TYR A 67 -3.372 10.308 3.948 1.00 0.00 C ATOM 959 CE1 TYR A 67 -2.407 12.102 5.792 1.00 0.00 C ATOM 960 CE2 TYR A 67 -2.732 9.847 5.082 1.00 0.00 C ATOM 961 CZ TYR A 67 -2.254 10.750 6.002 1.00 0.00 C ATOM 962 OH TYR A 67 -1.631 10.304 7.141 1.00 0.00 O ATOM 0 H TYR A 67 -4.772 14.812 1.969 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.408 13.044 1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.205 12.615 2.794 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.493 11.323 1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.161 13.611 4.495 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.752 9.598 3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.029 12.809 6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.608 8.787 5.245 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.848 9.767 6.897 1.00 0.00 H new ATOM 972 N GLU A 68 -3.515 11.860 -0.310 1.00 0.00 N ATOM 973 CA GLU A 68 -3.800 11.536 -1.689 1.00 0.00 C ATOM 974 C GLU A 68 -4.571 10.225 -1.750 1.00 0.00 C ATOM 975 O GLU A 68 -4.625 9.486 -0.761 1.00 0.00 O ATOM 976 CB GLU A 68 -2.499 11.464 -2.483 1.00 0.00 C ATOM 977 CG GLU A 68 -2.691 11.508 -3.982 1.00 0.00 C ATOM 978 CD GLU A 68 -1.457 12.003 -4.689 1.00 0.00 C ATOM 979 OE1 GLU A 68 -1.059 13.165 -4.448 1.00 0.00 O ATOM 980 OE2 GLU A 68 -0.879 11.245 -5.488 1.00 0.00 O ATOM 0 H GLU A 68 -3.073 11.106 0.215 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.418 12.314 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.857 12.293 -2.185 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.976 10.545 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.943 10.512 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.533 12.158 -4.222 1.00 0.00 H new ATOM 987 N TYR A 69 -5.137 9.923 -2.907 1.00 0.00 N ATOM 988 CA TYR A 69 -6.081 8.827 -3.024 1.00 0.00 C ATOM 989 C TYR A 69 -5.604 7.877 -4.092 1.00 0.00 C ATOM 990 O TYR A 69 -5.540 8.225 -5.271 1.00 0.00 O ATOM 991 CB TYR A 69 -7.482 9.340 -3.360 1.00 0.00 C ATOM 992 CG TYR A 69 -8.580 8.418 -2.888 1.00 0.00 C ATOM 993 CD1 TYR A 69 -8.555 7.918 -1.599 1.00 0.00 C ATOM 994 CD2 TYR A 69 -9.642 8.065 -3.712 1.00 0.00 C ATOM 995 CE1 TYR A 69 -9.555 7.092 -1.130 1.00 0.00 C ATOM 996 CE2 TYR A 69 -10.648 7.233 -3.254 1.00 0.00 C ATOM 997 CZ TYR A 69 -10.600 6.750 -1.962 1.00 0.00 C ATOM 998 OH TYR A 69 -11.602 5.926 -1.497 1.00 0.00 O ATOM 0 H TYR A 69 -4.958 10.422 -3.778 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.138 8.308 -2.067 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.621 10.322 -2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.565 9.472 -4.439 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.736 8.180 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -9.682 8.445 -4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.520 6.716 -0.118 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -11.467 6.963 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 69 -12.371 5.972 -2.103 1.00 0.00 H new ATOM 1008 N TRP A 70 -5.272 6.681 -3.670 1.00 0.00 N ATOM 1009 CA TRP A 70 -4.557 5.751 -4.503 1.00 0.00 C ATOM 1010 C TRP A 70 -5.454 4.586 -4.858 1.00 0.00 C ATOM 1011 O TRP A 70 -6.309 4.215 -4.070 1.00 0.00 O ATOM 1012 CB TRP A 70 -3.322 5.300 -3.735 1.00 0.00 C ATOM 1013 CG TRP A 70 -2.571 6.461 -3.144 1.00 0.00 C ATOM 1014 CD1 TRP A 70 -2.915 7.211 -2.079 1.00 0.00 C ATOM 1015 CD2 TRP A 70 -1.348 6.991 -3.599 1.00 0.00 C ATOM 1016 NE1 TRP A 70 -1.965 8.175 -1.870 1.00 0.00 N ATOM 1017 CE2 TRP A 70 -0.992 8.049 -2.783 1.00 0.00 C ATOM 1018 CE3 TRP A 70 -0.542 6.651 -4.609 1.00 0.00 C ATOM 1019 CZ2 TRP A 70 0.172 8.780 -2.963 1.00 0.00 C ATOM 1020 CZ3 TRP A 70 0.627 7.344 -4.821 1.00 0.00 C ATOM 1021 CH2 TRP A 70 0.980 8.407 -3.986 1.00 0.00 C ATOM 0 H TRP A 70 -5.491 6.327 -2.739 1.00 0.00 H new ATOM 0 HA TRP A 70 -4.249 6.215 -5.440 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -3.619 4.618 -2.939 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -2.663 4.744 -4.402 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.804 7.073 -1.481 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -1.994 8.880 -1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.809 5.831 -5.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 0.424 9.609 -2.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 1.276 7.065 -5.638 1.00 0.00 H new ATOM 0 HH2 TRP A 70 1.905 8.937 -4.157 1.00 0.00 H new ATOM 1032 N THR A 71 -5.260 4.022 -6.038 1.00 0.00 N ATOM 1033 CA THR A 71 -6.151 2.997 -6.567 1.00 0.00 C ATOM 1034 C THR A 71 -5.390 2.051 -7.483 1.00 0.00 C ATOM 1035 O THR A 71 -4.439 2.472 -8.149 1.00 0.00 O ATOM 1036 CB THR A 71 -7.301 3.639 -7.371 1.00 0.00 C ATOM 1037 OG1 THR A 71 -6.807 4.779 -8.089 1.00 0.00 O ATOM 1038 CG2 THR A 71 -8.450 4.054 -6.468 1.00 0.00 C ATOM 0 H THR A 71 -4.484 4.259 -6.656 1.00 0.00 H new ATOM 0 HA THR A 71 -6.559 2.444 -5.721 1.00 0.00 H new ATOM 0 HB THR A 71 -7.681 2.896 -8.072 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.463 5.506 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.241 4.502 -7.069 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.840 3.178 -5.949 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.094 4.780 -5.737 1.00 0.00 H new ATOM 1046 N PHE A 72 -5.775 0.776 -7.497 1.00 0.00 N ATOM 1047 CA PHE A 72 -5.220 -0.164 -8.461 1.00 0.00 C ATOM 1048 C PHE A 72 -5.887 -1.535 -8.373 1.00 0.00 C ATOM 1049 O PHE A 72 -6.471 -1.904 -7.353 1.00 0.00 O ATOM 1050 CB PHE A 72 -3.701 -0.318 -8.277 1.00 0.00 C ATOM 1051 CG PHE A 72 -3.307 -1.121 -7.071 1.00 0.00 C ATOM 1052 CD1 PHE A 72 -3.603 -0.680 -5.791 1.00 0.00 C ATOM 1053 CD2 PHE A 72 -2.632 -2.317 -7.223 1.00 0.00 C ATOM 1054 CE1 PHE A 72 -3.228 -1.419 -4.685 1.00 0.00 C ATOM 1055 CE2 PHE A 72 -2.259 -3.058 -6.125 1.00 0.00 C ATOM 1056 CZ PHE A 72 -2.555 -2.608 -4.855 1.00 0.00 C ATOM 0 H PHE A 72 -6.462 0.376 -6.858 1.00 0.00 H new ATOM 0 HA PHE A 72 -5.420 0.251 -9.449 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.284 -0.790 -9.167 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.253 0.673 -8.203 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -4.133 0.252 -5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.395 -2.674 -8.214 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.462 -1.065 -3.692 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.734 -3.993 -6.258 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.259 -3.189 -3.994 1.00 0.00 H new ATOM 1066 N SER A 73 -5.795 -2.278 -9.461 1.00 0.00 N ATOM 1067 CA SER A 73 -6.213 -3.668 -9.494 1.00 0.00 C ATOM 1068 C SER A 73 -4.985 -4.539 -9.728 1.00 0.00 C ATOM 1069 O SER A 73 -4.052 -4.120 -10.420 1.00 0.00 O ATOM 1070 CB SER A 73 -7.251 -3.886 -10.597 1.00 0.00 C ATOM 1071 OG SER A 73 -6.776 -3.409 -11.843 1.00 0.00 O ATOM 0 H SER A 73 -5.428 -1.934 -10.348 1.00 0.00 H new ATOM 0 HA SER A 73 -6.676 -3.939 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.486 -4.948 -10.676 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.177 -3.373 -10.336 1.00 0.00 H new ATOM 0 HG SER A 73 -7.456 -3.561 -12.532 1.00 0.00 H new ATOM 1077 N ALA A 74 -4.965 -5.730 -9.150 1.00 0.00 N ATOM 1078 CA ALA A 74 -3.772 -6.563 -9.206 1.00 0.00 C ATOM 1079 C ALA A 74 -4.087 -8.033 -9.446 1.00 0.00 C ATOM 1080 O ALA A 74 -4.690 -8.697 -8.604 1.00 0.00 O ATOM 1081 CB ALA A 74 -2.976 -6.418 -7.920 1.00 0.00 C ATOM 0 H ALA A 74 -5.750 -6.138 -8.643 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.185 -6.215 -10.056 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.085 -7.045 -7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.680 -5.377 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.590 -6.728 -7.075 1.00 0.00 H new ATOM 1087 N SER A 75 -3.683 -8.541 -10.595 1.00 0.00 N ATOM 1088 CA SER A 75 -3.712 -9.947 -10.846 1.00 0.00 C ATOM 1089 C SER A 75 -2.606 -10.633 -10.050 1.00 0.00 C ATOM 1090 O SER A 75 -1.437 -10.602 -10.434 1.00 0.00 O ATOM 1091 CB SER A 75 -3.521 -10.159 -12.338 1.00 0.00 C ATOM 1092 OG SER A 75 -4.559 -9.538 -13.078 1.00 0.00 O ATOM 0 H SER A 75 -3.328 -7.982 -11.371 1.00 0.00 H new ATOM 0 HA SER A 75 -4.663 -10.378 -10.535 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.557 -9.753 -12.646 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.502 -11.227 -12.557 1.00 0.00 H new ATOM 0 HG SER A 75 -4.413 -9.687 -14.035 1.00 0.00 H new ATOM 1098 N VAL A 76 -2.976 -11.232 -8.930 1.00 0.00 N ATOM 1099 CA VAL A 76 -1.996 -11.853 -8.047 1.00 0.00 C ATOM 1100 C VAL A 76 -2.024 -13.369 -8.207 1.00 0.00 C ATOM 1101 O VAL A 76 -3.021 -13.930 -8.667 1.00 0.00 O ATOM 1102 CB VAL A 76 -2.242 -11.469 -6.565 1.00 0.00 C ATOM 1103 CG1 VAL A 76 -2.213 -9.961 -6.396 1.00 0.00 C ATOM 1104 CG2 VAL A 76 -3.561 -12.016 -6.060 1.00 0.00 C ATOM 0 H VAL A 76 -3.942 -11.303 -8.610 1.00 0.00 H new ATOM 0 HA VAL A 76 -1.012 -11.481 -8.331 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.441 -11.914 -5.974 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.387 -9.709 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.240 -9.579 -6.704 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.991 -9.511 -7.012 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.700 -11.727 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.376 -11.612 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.558 -13.103 -6.138 1.00 0.00 H new ATOM 1114 N LYS A 77 -0.929 -14.030 -7.852 1.00 0.00 N ATOM 1115 CA LYS A 77 -0.860 -15.484 -7.957 1.00 0.00 C ATOM 1116 C LYS A 77 -0.550 -16.104 -6.596 1.00 0.00 C ATOM 1117 O LYS A 77 -0.190 -17.280 -6.490 1.00 0.00 O ATOM 1118 CB LYS A 77 0.176 -15.918 -9.014 1.00 0.00 C ATOM 1119 CG LYS A 77 1.631 -15.949 -8.547 1.00 0.00 C ATOM 1120 CD LYS A 77 2.170 -14.578 -8.171 1.00 0.00 C ATOM 1121 CE LYS A 77 3.664 -14.639 -7.879 1.00 0.00 C ATOM 1122 NZ LYS A 77 3.988 -15.622 -6.810 1.00 0.00 N ATOM 0 H LYS A 77 -0.083 -13.588 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.834 -15.848 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.092 -16.912 -9.371 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.102 -15.242 -9.866 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.715 -16.614 -7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.251 -16.371 -9.338 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.983 -13.875 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.640 -14.203 -7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.200 -14.906 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.015 -13.651 -7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.956 -15.455 -6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.318 -15.512 -6.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.918 -16.587 -7.192 1.00 0.00 H new ATOM 1136 N GLY A 78 -0.696 -15.300 -5.555 1.00 0.00 N ATOM 1137 CA GLY A 78 -0.440 -15.768 -4.210 1.00 0.00 C ATOM 1138 C GLY A 78 -0.183 -14.625 -3.252 1.00 0.00 C ATOM 1139 O GLY A 78 0.494 -13.657 -3.604 1.00 0.00 O ATOM 0 H GLY A 78 -0.989 -14.325 -5.619 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.293 -16.350 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.421 -16.436 -4.216 1.00 0.00 H new ATOM 1143 N ILE A 79 -0.737 -14.730 -2.055 1.00 0.00 N ATOM 1144 CA ILE A 79 -0.533 -13.735 -1.013 1.00 0.00 C ATOM 1145 C ILE A 79 -1.115 -14.225 0.304 1.00 0.00 C ATOM 1146 O ILE A 79 -2.042 -15.037 0.330 1.00 0.00 O ATOM 1147 CB ILE A 79 -1.157 -12.362 -1.372 1.00 0.00 C ATOM 1148 CG1 ILE A 79 -0.873 -11.326 -0.275 1.00 0.00 C ATOM 1149 CG2 ILE A 79 -2.653 -12.497 -1.602 1.00 0.00 C ATOM 1150 CD1 ILE A 79 -1.359 -9.931 -0.606 1.00 0.00 C ATOM 0 H ILE A 79 -1.339 -15.505 -1.778 1.00 0.00 H new ATOM 0 HA ILE A 79 0.544 -13.595 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.695 -12.014 -2.296 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.345 -11.654 0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.201 -11.292 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -3.072 -11.522 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -2.834 -13.192 -2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.128 -12.874 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.121 -9.258 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.868 -9.581 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.438 -9.949 -0.760 1.00 0.00 H new ATOM 1162 N LYS A 80 -0.552 -13.732 1.383 1.00 0.00 N ATOM 1163 CA LYS A 80 -0.973 -14.097 2.718 1.00 0.00 C ATOM 1164 C LYS A 80 -1.069 -12.849 3.586 1.00 0.00 C ATOM 1165 O LYS A 80 -2.067 -12.624 4.273 1.00 0.00 O ATOM 1166 CB LYS A 80 0.032 -15.088 3.297 1.00 0.00 C ATOM 1167 CG LYS A 80 -0.258 -15.538 4.717 1.00 0.00 C ATOM 1168 CD LYS A 80 -1.634 -16.188 4.850 1.00 0.00 C ATOM 1169 CE LYS A 80 -1.820 -17.344 3.879 1.00 0.00 C ATOM 1170 NZ LYS A 80 -3.084 -18.087 4.129 1.00 0.00 N ATOM 0 H LYS A 80 0.216 -13.062 1.360 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.957 -14.565 2.689 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.066 -15.967 2.653 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.023 -14.635 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.508 -16.246 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.198 -14.680 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.767 -16.548 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.406 -15.439 4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.820 -16.963 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.975 -18.028 3.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.221 -18.800 3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.032 -18.558 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.884 -17.423 4.123 1.00 0.00 H new ATOM 1184 N GLU A 81 -0.030 -12.033 3.532 1.00 0.00 N ATOM 1185 CA GLU A 81 -0.003 -10.774 4.263 1.00 0.00 C ATOM 1186 C GLU A 81 0.834 -9.778 3.485 1.00 0.00 C ATOM 1187 O GLU A 81 1.364 -10.146 2.447 1.00 0.00 O ATOM 1188 CB GLU A 81 0.535 -10.991 5.673 1.00 0.00 C ATOM 1189 CG GLU A 81 1.986 -11.429 5.739 1.00 0.00 C ATOM 1190 CD GLU A 81 2.466 -11.629 7.161 1.00 0.00 C ATOM 1191 OE1 GLU A 81 1.776 -12.324 7.933 1.00 0.00 O ATOM 1192 OE2 GLU A 81 3.540 -11.100 7.510 1.00 0.00 O ATOM 0 H GLU A 81 0.811 -12.220 2.987 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.012 -10.376 4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.424 -10.064 6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.080 -11.742 6.170 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.107 -12.359 5.184 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.611 -10.682 5.250 1.00 0.00 H new ATOM 1199 N PHE A 82 0.942 -8.525 3.930 1.00 0.00 N ATOM 1200 CA PHE A 82 1.722 -7.554 3.162 1.00 0.00 C ATOM 1201 C PHE A 82 1.941 -6.262 3.922 1.00 0.00 C ATOM 1202 O PHE A 82 1.328 -6.017 4.964 1.00 0.00 O ATOM 1203 CB PHE A 82 1.043 -7.246 1.818 1.00 0.00 C ATOM 1204 CG PHE A 82 -0.312 -6.602 1.912 1.00 0.00 C ATOM 1205 CD1 PHE A 82 -1.459 -7.374 2.006 1.00 0.00 C ATOM 1206 CD2 PHE A 82 -0.436 -5.225 1.884 1.00 0.00 C ATOM 1207 CE1 PHE A 82 -2.704 -6.781 2.075 1.00 0.00 C ATOM 1208 CE2 PHE A 82 -1.677 -4.626 1.950 1.00 0.00 C ATOM 1209 CZ PHE A 82 -2.812 -5.403 2.046 1.00 0.00 C ATOM 0 H PHE A 82 0.517 -8.168 4.786 1.00 0.00 H new ATOM 0 HA PHE A 82 2.695 -8.011 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.698 -6.593 1.241 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.946 -8.176 1.258 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.378 -8.451 2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.449 -4.611 1.810 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.591 -7.392 2.151 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.759 -3.549 1.926 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.784 -4.936 2.098 1.00 0.00 H new ATOM 1219 N TYR A 83 2.829 -5.451 3.375 1.00 0.00 N ATOM 1220 CA TYR A 83 3.026 -4.091 3.823 1.00 0.00 C ATOM 1221 C TYR A 83 3.398 -3.236 2.623 1.00 0.00 C ATOM 1222 O TYR A 83 4.079 -3.698 1.707 1.00 0.00 O ATOM 1223 CB TYR A 83 4.078 -3.986 4.942 1.00 0.00 C ATOM 1224 CG TYR A 83 5.355 -4.792 4.766 1.00 0.00 C ATOM 1225 CD1 TYR A 83 6.102 -4.729 3.602 1.00 0.00 C ATOM 1226 CD2 TYR A 83 5.833 -5.583 5.804 1.00 0.00 C ATOM 1227 CE1 TYR A 83 7.283 -5.432 3.469 1.00 0.00 C ATOM 1228 CE2 TYR A 83 7.010 -6.296 5.679 1.00 0.00 C ATOM 1229 CZ TYR A 83 7.733 -6.216 4.511 1.00 0.00 C ATOM 1230 OH TYR A 83 8.911 -6.919 4.385 1.00 0.00 O ATOM 0 H TYR A 83 3.436 -5.723 2.602 1.00 0.00 H new ATOM 0 HA TYR A 83 2.096 -3.727 4.261 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.352 -2.937 5.052 1.00 0.00 H new ATOM 0 HB3 TYR A 83 3.610 -4.293 5.877 1.00 0.00 H new ATOM 0 HD1 TYR A 83 5.754 -4.118 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.274 -5.642 6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 83 7.852 -5.368 2.553 1.00 0.00 H new ATOM 0 HE2 TYR A 83 7.360 -6.913 6.493 1.00 0.00 H new ATOM 0 HH TYR A 83 9.083 -7.419 5.210 1.00 0.00 H new ATOM 1240 N ILE A 84 2.935 -2.005 2.600 1.00 0.00 N ATOM 1241 CA ILE A 84 3.142 -1.170 1.434 1.00 0.00 C ATOM 1242 C ILE A 84 4.449 -0.407 1.560 1.00 0.00 C ATOM 1243 O ILE A 84 4.790 0.089 2.634 1.00 0.00 O ATOM 1244 CB ILE A 84 1.984 -0.172 1.213 1.00 0.00 C ATOM 1245 CG1 ILE A 84 0.623 -0.864 1.356 1.00 0.00 C ATOM 1246 CG2 ILE A 84 2.106 0.465 -0.164 1.00 0.00 C ATOM 1247 CD1 ILE A 84 0.475 -2.106 0.509 1.00 0.00 C ATOM 0 H ILE A 84 2.420 -1.564 3.362 1.00 0.00 H new ATOM 0 HA ILE A 84 3.179 -1.834 0.570 1.00 0.00 H new ATOM 0 HB ILE A 84 2.050 0.603 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.470 -1.129 2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.163 -0.158 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.286 1.168 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.056 0.994 -0.237 1.00 0.00 H new ATOM 0 HG23 ILE A 84 2.063 -0.311 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.514 -2.537 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.595 -1.846 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.237 -2.832 0.792 1.00 0.00 H new ATOM 1259 N LYS A 85 5.177 -0.322 0.457 1.00 0.00 N ATOM 1260 CA LYS A 85 6.464 0.343 0.442 1.00 0.00 C ATOM 1261 C LYS A 85 6.292 1.748 -0.072 1.00 0.00 C ATOM 1262 O LYS A 85 6.039 1.973 -1.260 1.00 0.00 O ATOM 1263 CB LYS A 85 7.477 -0.418 -0.412 1.00 0.00 C ATOM 1264 CG LYS A 85 7.902 -1.740 0.196 1.00 0.00 C ATOM 1265 CD LYS A 85 8.745 -1.535 1.443 1.00 0.00 C ATOM 1266 CE LYS A 85 9.331 -2.844 1.950 1.00 0.00 C ATOM 1267 NZ LYS A 85 10.385 -3.373 1.045 1.00 0.00 N ATOM 0 H LYS A 85 4.893 -0.709 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 85 6.853 0.371 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.047 -0.601 -1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.358 0.206 -0.560 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.018 -2.327 0.446 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.469 -2.313 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.552 -0.836 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.134 -1.083 2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.751 -2.692 2.944 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.535 -3.582 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.895 -4.145 1.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.946 -3.733 0.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.053 -2.612 0.807 1.00 0.00 H new ATOM 1281 N TYR A 86 6.409 2.680 0.838 1.00 0.00 N ATOM 1282 CA TYR A 86 6.213 4.079 0.530 1.00 0.00 C ATOM 1283 C TYR A 86 7.532 4.704 0.093 1.00 0.00 C ATOM 1284 O TYR A 86 8.380 5.024 0.924 1.00 0.00 O ATOM 1285 CB TYR A 86 5.640 4.791 1.758 1.00 0.00 C ATOM 1286 CG TYR A 86 5.246 6.228 1.513 1.00 0.00 C ATOM 1287 CD1 TYR A 86 4.702 6.620 0.303 1.00 0.00 C ATOM 1288 CD2 TYR A 86 5.416 7.189 2.499 1.00 0.00 C ATOM 1289 CE1 TYR A 86 4.340 7.931 0.080 1.00 0.00 C ATOM 1290 CE2 TYR A 86 5.053 8.502 2.281 1.00 0.00 C ATOM 1291 CZ TYR A 86 4.518 8.868 1.070 1.00 0.00 C ATOM 1292 OH TYR A 86 4.174 10.176 0.843 1.00 0.00 O ATOM 0 H TYR A 86 6.642 2.494 1.813 1.00 0.00 H new ATOM 0 HA TYR A 86 5.505 4.183 -0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.766 4.241 2.108 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.378 4.760 2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 86 4.559 5.888 -0.478 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.839 6.905 3.451 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.917 8.222 -0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.189 9.239 3.059 1.00 0.00 H new ATOM 0 HH TYR A 86 3.223 10.229 0.611 1.00 0.00 H new ATOM 1302 N GLU A 87 7.698 4.864 -1.213 1.00 0.00 N ATOM 1303 CA GLU A 87 8.931 5.382 -1.769 1.00 0.00 C ATOM 1304 C GLU A 87 8.736 6.830 -2.197 1.00 0.00 C ATOM 1305 O GLU A 87 7.960 7.120 -3.111 1.00 0.00 O ATOM 1306 CB GLU A 87 9.359 4.528 -2.962 1.00 0.00 C ATOM 1307 CG GLU A 87 10.806 4.723 -3.357 1.00 0.00 C ATOM 1308 CD GLU A 87 11.193 3.911 -4.575 1.00 0.00 C ATOM 1309 OE1 GLU A 87 11.431 2.695 -4.437 1.00 0.00 O ATOM 1310 OE2 GLU A 87 11.252 4.481 -5.684 1.00 0.00 O ATOM 0 H GLU A 87 6.986 4.639 -1.908 1.00 0.00 H new ATOM 0 HA GLU A 87 9.713 5.343 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 87 9.194 3.477 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.723 4.765 -3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.984 5.779 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.447 4.445 -2.521 1.00 0.00 H new ATOM 1317 N VAL A 88 9.422 7.742 -1.524 1.00 0.00 N ATOM 1318 CA VAL A 88 9.275 9.156 -1.816 1.00 0.00 C ATOM 1319 C VAL A 88 10.579 9.772 -2.242 1.00 0.00 C ATOM 1320 O VAL A 88 11.445 10.028 -1.408 1.00 0.00 O ATOM 1321 CB VAL A 88 8.793 9.953 -0.608 1.00 0.00 C ATOM 1322 CG1 VAL A 88 8.325 11.317 -1.070 1.00 0.00 C ATOM 1323 CG2 VAL A 88 7.705 9.201 0.126 1.00 0.00 C ATOM 0 H VAL A 88 10.082 7.528 -0.776 1.00 0.00 H new ATOM 0 HA VAL A 88 8.538 9.204 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 88 9.613 10.090 0.097 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.979 11.893 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.151 11.842 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.508 11.199 -1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.374 9.786 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.863 9.033 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.093 8.242 0.468 1.00 0.00 H new ATOM 1333 N SER A 89 10.699 10.044 -3.528 1.00 0.00 N ATOM 1334 CA SER A 89 11.881 10.678 -4.076 1.00 0.00 C ATOM 1335 C SER A 89 13.161 9.948 -3.629 1.00 0.00 C ATOM 1336 O SER A 89 14.243 10.538 -3.555 1.00 0.00 O ATOM 1337 CB SER A 89 11.881 12.147 -3.651 1.00 0.00 C ATOM 1338 OG SER A 89 13.054 12.830 -4.056 1.00 0.00 O ATOM 0 H SER A 89 9.981 9.832 -4.220 1.00 0.00 H new ATOM 0 HA SER A 89 11.863 10.622 -5.164 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.010 12.645 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 89 11.785 12.208 -2.567 1.00 0.00 H new ATOM 0 HG SER A 89 13.834 12.256 -3.908 1.00 0.00 H new ATOM 1344 N GLY A 90 13.031 8.652 -3.346 1.00 0.00 N ATOM 1345 CA GLY A 90 14.149 7.885 -2.835 1.00 0.00 C ATOM 1346 C GLY A 90 13.937 7.384 -1.410 1.00 0.00 C ATOM 1347 O GLY A 90 14.613 6.451 -0.976 1.00 0.00 O ATOM 0 H GLY A 90 12.168 8.122 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.325 7.032 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.048 8.501 -2.866 1.00 0.00 H new ATOM 1351 N LYS A 91 12.990 7.978 -0.680 1.00 0.00 N ATOM 1352 CA LYS A 91 12.773 7.610 0.719 1.00 0.00 C ATOM 1353 C LYS A 91 11.926 6.369 0.839 1.00 0.00 C ATOM 1354 O LYS A 91 11.456 5.818 -0.155 1.00 0.00 O ATOM 1355 CB LYS A 91 12.103 8.730 1.507 1.00 0.00 C ATOM 1356 CG LYS A 91 13.076 9.632 2.239 1.00 0.00 C ATOM 1357 CD LYS A 91 13.954 8.842 3.194 1.00 0.00 C ATOM 1358 CE LYS A 91 14.926 9.738 3.941 1.00 0.00 C ATOM 1359 NZ LYS A 91 15.879 10.419 3.029 1.00 0.00 N ATOM 0 H LYS A 91 12.368 8.707 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 91 13.762 7.421 1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.506 9.334 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.415 8.291 2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.702 10.157 1.517 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.524 10.391 2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.326 8.311 3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 91 14.510 8.088 2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.368 10.486 4.504 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.482 9.143 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.633 10.868 3.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.296 9.722 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.376 11.145 2.480 1.00 0.00 H new ATOM 1373 N THR A 92 11.741 5.936 2.069 1.00 0.00 N ATOM 1374 CA THR A 92 10.969 4.740 2.343 1.00 0.00 C ATOM 1375 C THR A 92 10.292 4.808 3.704 1.00 0.00 C ATOM 1376 O THR A 92 10.856 5.306 4.683 1.00 0.00 O ATOM 1377 CB THR A 92 11.837 3.471 2.282 1.00 0.00 C ATOM 1378 OG1 THR A 92 12.617 3.466 1.076 1.00 0.00 O ATOM 1379 CG2 THR A 92 10.981 2.209 2.341 1.00 0.00 C ATOM 0 H THR A 92 12.116 6.396 2.898 1.00 0.00 H new ATOM 0 HA THR A 92 10.207 4.687 1.565 1.00 0.00 H new ATOM 0 HB THR A 92 12.499 3.477 3.148 1.00 0.00 H new ATOM 0 HG1 THR A 92 13.168 2.656 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.625 1.330 2.296 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.415 2.197 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.291 2.197 1.497 1.00 0.00 H new ATOM 1387 N TYR A 93 9.078 4.305 3.724 1.00 0.00 N ATOM 1388 CA TYR A 93 8.311 4.084 4.941 1.00 0.00 C ATOM 1389 C TYR A 93 7.473 2.839 4.721 1.00 0.00 C ATOM 1390 O TYR A 93 7.614 2.169 3.694 1.00 0.00 O ATOM 1391 CB TYR A 93 7.389 5.264 5.288 1.00 0.00 C ATOM 1392 CG TYR A 93 8.075 6.598 5.359 1.00 0.00 C ATOM 1393 CD1 TYR A 93 8.737 7.025 6.503 1.00 0.00 C ATOM 1394 CD2 TYR A 93 8.054 7.426 4.268 1.00 0.00 C ATOM 1395 CE1 TYR A 93 9.360 8.259 6.542 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.671 8.662 4.287 1.00 0.00 C ATOM 1397 CZ TYR A 93 9.325 9.074 5.430 1.00 0.00 C ATOM 1398 OH TYR A 93 9.946 10.303 5.461 1.00 0.00 O ATOM 0 H TYR A 93 8.580 4.030 2.877 1.00 0.00 H new ATOM 0 HA TYR A 93 9.002 3.975 5.776 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.595 5.318 4.543 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.912 5.065 6.248 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.766 6.385 7.373 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.543 7.105 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 93 9.870 8.582 7.437 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.642 9.300 3.416 1.00 0.00 H new ATOM 0 HH TYR A 93 9.828 10.751 4.597 1.00 0.00 H new ATOM 1408 N TYR A 94 6.577 2.557 5.642 1.00 0.00 N ATOM 1409 CA TYR A 94 5.838 1.299 5.613 1.00 0.00 C ATOM 1410 C TYR A 94 4.422 1.470 6.136 1.00 0.00 C ATOM 1411 O TYR A 94 4.187 2.203 7.100 1.00 0.00 O ATOM 1412 CB TYR A 94 6.531 0.233 6.473 1.00 0.00 C ATOM 1413 CG TYR A 94 8.002 0.017 6.179 1.00 0.00 C ATOM 1414 CD1 TYR A 94 8.424 -0.592 5.002 1.00 0.00 C ATOM 1415 CD2 TYR A 94 8.969 0.393 7.103 1.00 0.00 C ATOM 1416 CE1 TYR A 94 9.766 -0.816 4.757 1.00 0.00 C ATOM 1417 CE2 TYR A 94 10.311 0.178 6.860 1.00 0.00 C ATOM 1418 CZ TYR A 94 10.704 -0.428 5.687 1.00 0.00 C ATOM 1419 OH TYR A 94 12.041 -0.664 5.452 1.00 0.00 O ATOM 0 H TYR A 94 6.339 3.173 6.419 1.00 0.00 H new ATOM 0 HA TYR A 94 5.809 0.983 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.424 0.511 7.522 1.00 0.00 H new ATOM 0 HB3 TYR A 94 6.008 -0.714 6.339 1.00 0.00 H new ATOM 0 HD1 TYR A 94 7.692 -0.895 4.268 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.666 0.862 8.028 1.00 0.00 H new ATOM 0 HE1 TYR A 94 10.077 -1.293 3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 94 11.049 0.484 7.586 1.00 0.00 H new ATOM 0 HH TYR A 94 12.570 -0.328 6.206 1.00 0.00 H new ATOM 1429 N ASP A 95 3.483 0.787 5.498 1.00 0.00 N ATOM 1430 CA ASP A 95 2.140 0.638 6.043 1.00 0.00 C ATOM 1431 C ASP A 95 1.743 -0.823 6.014 1.00 0.00 C ATOM 1432 O ASP A 95 1.600 -1.415 4.944 1.00 0.00 O ATOM 1433 CB ASP A 95 1.105 1.459 5.281 1.00 0.00 C ATOM 1434 CG ASP A 95 -0.283 1.293 5.880 1.00 0.00 C ATOM 1435 OD1 ASP A 95 -0.462 1.641 7.067 1.00 0.00 O ATOM 1436 OD2 ASP A 95 -1.188 0.790 5.181 1.00 0.00 O ATOM 0 H ASP A 95 3.626 0.326 4.600 1.00 0.00 H new ATOM 0 HA ASP A 95 2.162 1.010 7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.388 2.512 5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.091 1.151 4.236 1.00 0.00 H new ATOM 1441 N ASN A 96 1.602 -1.411 7.185 1.00 0.00 N ATOM 1442 CA ASN A 96 1.252 -2.820 7.286 1.00 0.00 C ATOM 1443 C ASN A 96 0.085 -3.029 8.241 1.00 0.00 C ATOM 1444 O ASN A 96 -0.675 -3.980 8.087 1.00 0.00 O ATOM 1445 CB ASN A 96 2.464 -3.646 7.718 1.00 0.00 C ATOM 1446 CG ASN A 96 2.996 -3.304 9.098 1.00 0.00 C ATOM 1447 OD1 ASN A 96 2.783 -2.208 9.621 1.00 0.00 O ATOM 1448 ND2 ASN A 96 3.720 -4.240 9.683 1.00 0.00 N ATOM 0 H ASN A 96 1.723 -0.939 8.081 1.00 0.00 H new ATOM 0 HA ASN A 96 0.939 -3.161 6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 96 2.195 -4.702 7.697 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.262 -3.506 6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.127 -4.070 10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.872 -5.134 9.216 1.00 0.00 H new ATOM 1455 N ASN A 97 -0.014 -2.141 9.230 1.00 0.00 N ATOM 1456 CA ASN A 97 -1.142 -2.061 10.168 1.00 0.00 C ATOM 1457 C ASN A 97 -0.674 -1.320 11.412 1.00 0.00 C ATOM 1458 O ASN A 97 -1.369 -0.450 11.937 1.00 0.00 O ATOM 1459 CB ASN A 97 -1.724 -3.438 10.557 1.00 0.00 C ATOM 1460 CG ASN A 97 -0.814 -4.298 11.400 1.00 0.00 C ATOM 1461 OD1 ASN A 97 0.407 -4.296 11.239 1.00 0.00 O ATOM 1462 ND2 ASN A 97 -1.413 -5.033 12.321 1.00 0.00 N ATOM 0 H ASN A 97 0.704 -1.439 9.408 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.952 -1.529 9.669 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.657 -3.282 11.099 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.972 -3.982 9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.860 -5.631 12.935 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.428 -5.002 12.418 1.00 0.00 H new ATOM 1469 N ASN A 98 0.532 -1.673 11.846 1.00 0.00 N ATOM 1470 CA ASN A 98 1.218 -1.024 12.950 1.00 0.00 C ATOM 1471 C ASN A 98 2.514 -1.775 13.219 1.00 0.00 C ATOM 1472 O ASN A 98 3.538 -1.163 13.519 1.00 0.00 O ATOM 1473 CB ASN A 98 0.362 -0.939 14.233 1.00 0.00 C ATOM 1474 CG ASN A 98 0.107 -2.274 14.916 1.00 0.00 C ATOM 1475 OD1 ASN A 98 0.003 -3.321 14.278 1.00 0.00 O ATOM 1476 ND2 ASN A 98 0.000 -2.239 16.233 1.00 0.00 N ATOM 0 H ASN A 98 1.068 -2.434 11.429 1.00 0.00 H new ATOM 0 HA ASN A 98 1.422 0.007 12.662 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.857 -0.273 14.940 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.597 -0.484 13.984 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.174 -3.099 16.754 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.092 -1.352 16.729 1.00 0.00 H new ATOM 1483 N SER A 99 2.464 -3.108 13.081 1.00 0.00 N ATOM 1484 CA SER A 99 3.656 -3.937 13.228 1.00 0.00 C ATOM 1485 C SER A 99 3.389 -5.433 12.984 1.00 0.00 C ATOM 1486 O SER A 99 4.142 -6.274 13.474 1.00 0.00 O ATOM 1487 CB SER A 99 4.252 -3.753 14.628 1.00 0.00 C ATOM 1488 OG SER A 99 3.272 -3.967 15.635 1.00 0.00 O ATOM 0 H SER A 99 1.612 -3.628 12.869 1.00 0.00 H new ATOM 0 HA SER A 99 4.359 -3.605 12.464 1.00 0.00 H new ATOM 0 HB2 SER A 99 5.080 -4.448 14.768 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.661 -2.747 14.723 1.00 0.00 H new ATOM 0 HG SER A 99 3.679 -3.845 16.518 1.00 0.00 H new ATOM 1494 N ALA A 100 2.343 -5.785 12.230 1.00 0.00 N ATOM 1495 CA ALA A 100 2.001 -7.204 12.065 1.00 0.00 C ATOM 1496 C ALA A 100 1.610 -7.597 10.634 1.00 0.00 C ATOM 1497 O ALA A 100 1.565 -8.794 10.329 1.00 0.00 O ATOM 1498 CB ALA A 100 0.887 -7.585 13.016 1.00 0.00 C ATOM 0 H ALA A 100 1.734 -5.131 11.737 1.00 0.00 H new ATOM 0 HA ALA A 100 2.913 -7.755 12.296 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.641 -8.639 12.885 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.210 -7.412 14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.006 -6.978 12.806 1.00 0.00 H new ATOM 1504 N ASN A 101 1.276 -6.608 9.789 1.00 0.00 N ATOM 1505 CA ASN A 101 1.004 -6.837 8.344 1.00 0.00 C ATOM 1506 C ASN A 101 -0.455 -7.188 8.121 1.00 0.00 C ATOM 1507 O ASN A 101 -1.076 -7.855 8.945 1.00 0.00 O ATOM 1508 CB ASN A 101 1.913 -7.920 7.737 1.00 0.00 C ATOM 1509 CG ASN A 101 3.380 -7.549 7.832 1.00 0.00 C ATOM 1510 OD1 ASN A 101 3.729 -6.375 7.902 1.00 0.00 O ATOM 1511 ND2 ASN A 101 4.251 -8.539 7.820 1.00 0.00 N ATOM 0 H ASN A 101 1.185 -5.633 10.076 1.00 0.00 H new ATOM 0 HA ASN A 101 1.229 -5.902 7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.744 -8.866 8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.645 -8.074 6.692 1.00 0.00 H new ATOM 0 HD21 ASN A 101 5.250 -8.340 7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.926 -9.504 7.761 1.00 0.00 H new ATOM 1518 N TYR A 102 -1.010 -6.693 7.021 1.00 0.00 N ATOM 1519 CA TYR A 102 -2.399 -6.965 6.683 1.00 0.00 C ATOM 1520 C TYR A 102 -2.552 -8.408 6.244 1.00 0.00 C ATOM 1521 O TYR A 102 -1.899 -8.836 5.291 1.00 0.00 O ATOM 1522 CB TYR A 102 -2.888 -6.047 5.556 1.00 0.00 C ATOM 1523 CG TYR A 102 -2.875 -4.571 5.892 1.00 0.00 C ATOM 1524 CD1 TYR A 102 -3.814 -4.027 6.759 1.00 0.00 C ATOM 1525 CD2 TYR A 102 -1.926 -3.722 5.336 1.00 0.00 C ATOM 1526 CE1 TYR A 102 -3.806 -2.679 7.064 1.00 0.00 C ATOM 1527 CE2 TYR A 102 -1.911 -2.374 5.637 1.00 0.00 C ATOM 1528 CZ TYR A 102 -2.852 -1.857 6.502 1.00 0.00 C ATOM 1529 OH TYR A 102 -2.839 -0.515 6.805 1.00 0.00 O ATOM 0 H TYR A 102 -0.519 -6.102 6.350 1.00 0.00 H new ATOM 0 HA TYR A 102 -3.000 -6.778 7.573 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -2.266 -6.211 4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -3.904 -6.335 5.286 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.562 -4.668 7.202 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.188 -4.123 4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.544 -2.271 7.739 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.166 -1.728 5.197 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.425 -0.018 6.069 1.00 0.00 H new ATOM 1539 N GLN A 103 -3.390 -9.158 6.948 1.00 0.00 N ATOM 1540 CA GLN A 103 -3.701 -10.523 6.555 1.00 0.00 C ATOM 1541 C GLN A 103 -4.800 -10.520 5.506 1.00 0.00 C ATOM 1542 O GLN A 103 -5.835 -9.870 5.674 1.00 0.00 O ATOM 1543 CB GLN A 103 -4.138 -11.374 7.755 1.00 0.00 C ATOM 1544 CG GLN A 103 -3.000 -12.071 8.489 1.00 0.00 C ATOM 1545 CD GLN A 103 -2.043 -11.116 9.159 1.00 0.00 C ATOM 1546 OE1 GLN A 103 -2.193 -10.776 10.331 1.00 0.00 O ATOM 1547 NE2 GLN A 103 -1.058 -10.674 8.411 1.00 0.00 N ATOM 0 H GLN A 103 -3.866 -8.843 7.794 1.00 0.00 H new ATOM 0 HA GLN A 103 -2.794 -10.964 6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.671 -10.736 8.461 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -4.845 -12.128 7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -3.419 -12.740 9.240 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.448 -12.691 7.782 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.974 -10.984 7.443 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.377 -10.021 8.798 1.00 0.00 H new ATOM 1556 N VAL A 104 -4.563 -11.228 4.417 1.00 0.00 N ATOM 1557 CA VAL A 104 -5.539 -11.339 3.349 1.00 0.00 C ATOM 1558 C VAL A 104 -6.583 -12.387 3.719 1.00 0.00 C ATOM 1559 O VAL A 104 -6.297 -13.301 4.496 1.00 0.00 O ATOM 1560 CB VAL A 104 -4.854 -11.714 2.017 1.00 0.00 C ATOM 1561 CG1 VAL A 104 -5.831 -11.654 0.851 1.00 0.00 C ATOM 1562 CG2 VAL A 104 -3.663 -10.801 1.767 1.00 0.00 C ATOM 0 H VAL A 104 -3.696 -11.738 4.249 1.00 0.00 H new ATOM 0 HA VAL A 104 -6.027 -10.373 3.218 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.501 -12.742 2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.315 -11.924 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -6.650 -12.352 1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -6.229 -10.643 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -3.187 -11.074 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -4.002 -9.766 1.716 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -2.946 -10.908 2.581 1.00 0.00 H new ATOM 1572 N SER A 105 -7.784 -12.244 3.173 1.00 0.00 N ATOM 1573 CA SER A 105 -8.897 -13.131 3.483 1.00 0.00 C ATOM 1574 C SER A 105 -8.742 -14.497 2.807 1.00 0.00 C ATOM 1575 O SER A 105 -9.609 -14.944 2.054 1.00 0.00 O ATOM 1576 CB SER A 105 -10.199 -12.457 3.056 1.00 0.00 C ATOM 1577 OG SER A 105 -10.027 -11.778 1.820 1.00 0.00 O ATOM 0 H SER A 105 -8.013 -11.510 2.503 1.00 0.00 H new ATOM 0 HA SER A 105 -8.912 -13.314 4.557 1.00 0.00 H new ATOM 0 HB2 SER A 105 -10.987 -13.204 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.519 -11.752 3.823 1.00 0.00 H new ATOM 0 HG SER A 105 -10.871 -11.353 1.560 1.00 0.00 H new ATOM 1583 N THR A 106 -7.627 -15.151 3.087 1.00 0.00 N ATOM 1584 CA THR A 106 -7.349 -16.475 2.573 1.00 0.00 C ATOM 1585 C THR A 106 -6.589 -17.278 3.629 1.00 0.00 C ATOM 1586 O THR A 106 -7.193 -18.203 4.212 1.00 0.00 O ATOM 1587 CB THR A 106 -6.570 -16.419 1.229 1.00 0.00 C ATOM 1588 OG1 THR A 106 -6.216 -17.740 0.789 1.00 0.00 O ATOM 1589 CG2 THR A 106 -5.317 -15.559 1.334 1.00 0.00 C ATOM 1590 OXT THR A 106 -5.426 -16.940 3.926 1.00 0.00 O ATOM 0 H THR A 106 -6.888 -14.774 3.680 1.00 0.00 H new ATOM 0 HA THR A 106 -8.294 -16.974 2.360 1.00 0.00 H new ATOM 0 HB THR A 106 -7.234 -15.962 0.495 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.728 -17.683 -0.059 1.00 0.00 H new ATOM 0 HG21 THR A 106 -4.802 -15.547 0.373 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.596 -14.542 1.609 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.655 -15.972 2.095 1.00 0.00 H new