USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1077 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: B 120 SER OG : rot 180:sc= 0.895 USER MOD Set 1.2: B 123 THR OG1 : rot 87:sc= 1.03 USER MOD Set 2.1: B 85 CYS SG : rot -157:sc= 0.762! USER MOD Set 2.2: B 88 CYS SG : rot -72:sc= 0.867 USER MOD Set 3.1: B 83 MET CE :methyl 177:sc= -0.148 (180deg=-0.193) USER MOD Set 3.2: B 131 THR OG1 : rot -69:sc= 1.24 USER MOD Set 4.1: A 54 THR OG1 : rot 180:sc= -0.0281 USER MOD Set 4.2: A 57 THR OG1 : rot -140:sc= 0.309 USER MOD Set 5.1: A 16 ASN : amide:sc= 0 X(o=2.2,f=1.9) USER MOD Set 5.2: A 17 SER OG : rot -150:sc= 1 USER MOD Set 5.3: B 84 THR OG1 : rot 153:sc= 1.18 USER MOD Single : A 4 ASN : amide:sc= 0.567 K(o=0.57,f=-4.3!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -125:sc= 0.974 USER MOD Single : A 13 MET CE :methyl -160:sc= -0.164 (180deg=-0.794) USER MOD Single : A 14 THR OG1 : rot 37:sc= 0.888 USER MOD Single : A 21 THR OG1 : rot 64:sc= 0.701 USER MOD Single : A 24 GLN : amide:sc= -0.0319 X(o=-0.032,f=-0.032) USER MOD Single : A 25 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.11 K(o=-0.11,f=-4.5!) USER MOD Single : A 33 HIS : no HE2:sc= 0.592 K(o=0.59,f=-1.9!) USER MOD Single : A 34 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.347 USER MOD Single : A 42 LYS NZ :NH3+ 176:sc= 0.983 (180deg=0.972) USER MOD Single : A 43 ASN : amide:sc= 0.0483 X(o=0.048,f=-0.21) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 1.19 (180deg=1.17) USER MOD Single : A 53 GLN : amide:sc= -0.342 K(o=-0.34,f=-6.2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0647 X(o=-0.065,f=-0.065) USER MOD Single : A 65 MET CE :methyl -169:sc= -0.105 (180deg=-0.364) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= 0.00623 K(o=0.0062,f=-1.7) USER MOD Single : B 74 MET CE :methyl -129:sc= 0 (180deg=-0.012) USER MOD Single : B 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 HIS : no HE2:sc= -1.03 K(o=-1,f=-0.53) USER MOD Single : B 80 SER OG : rot 180:sc= 0 USER MOD Single : B 93 SER OG : rot -71:sc= 1.26 USER MOD Single : B 97 ASN : amide:sc= -0.0122 X(o=-0.012,f=-0.012) USER MOD Single : B 98 LYS NZ :NH3+ -121:sc= 1.42 (180deg=-0.361) USER MOD Single : B 103 LYS NZ :NH3+ -139:sc= 0.878 (180deg=-0.0887) USER MOD Single : B 104 TYR OH : rot 180:sc= -0.0869 USER MOD Single : B 110 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : B 111 LYS NZ :NH3+ 165:sc= 0.86 (180deg=0.662) USER MOD Single : B 112 LYS NZ :NH3+ 142:sc= 0.659 (180deg=-1.17!) USER MOD Single : B 114 CYS SG : rot 180:sc= -0.172 USER MOD Single : B 117 SER OG : rot 86:sc= 1.06 USER MOD Single : B 119 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : B 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 127 THR OG1 : rot 92:sc= 1.26 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 LYS NZ :NH3+ -169:sc= 0.542 (180deg=0.472) USER MOD Single : B 134 THR OG1 : rot 180:sc= 0 USER MOD Single : B 136 SER OG : rot 180:sc= 0 USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -8.159 -6.965 28.543 1.00 0.00 N ATOM 21 CA GLY A 2 -7.787 -8.112 27.702 1.00 0.00 C ATOM 22 C GLY A 2 -7.117 -7.779 26.369 1.00 0.00 C ATOM 23 O GLY A 2 -6.871 -6.614 26.053 1.00 0.00 O ATOM 0 HA2 GLY A 2 -7.115 -8.753 28.273 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.686 -8.694 27.498 1.00 0.00 H new ATOM 27 N VAL A 3 -6.855 -8.831 25.591 1.00 0.00 N ATOM 28 CA VAL A 3 -6.374 -8.800 24.192 1.00 0.00 C ATOM 29 C VAL A 3 -7.359 -9.532 23.262 1.00 0.00 C ATOM 30 O VAL A 3 -8.216 -10.281 23.735 1.00 0.00 O ATOM 31 CB VAL A 3 -4.962 -9.426 24.040 1.00 0.00 C ATOM 32 CG1 VAL A 3 -3.893 -8.546 24.704 1.00 0.00 C ATOM 33 CG2 VAL A 3 -4.867 -10.862 24.586 1.00 0.00 C ATOM 0 H VAL A 3 -6.977 -9.785 25.931 1.00 0.00 H new ATOM 0 HA VAL A 3 -6.310 -7.750 23.908 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.778 -9.479 22.967 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.914 -9.009 24.582 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.890 -7.562 24.236 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.116 -8.442 25.766 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.853 -11.238 24.447 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.113 -10.865 25.648 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.568 -11.502 24.050 1.00 0.00 H new ATOM 43 N ASN A 4 -7.223 -9.352 21.942 1.00 0.00 N ATOM 44 CA ASN A 4 -7.915 -10.173 20.937 1.00 0.00 C ATOM 45 C ASN A 4 -7.121 -10.263 19.614 1.00 0.00 C ATOM 46 O ASN A 4 -6.146 -9.542 19.404 1.00 0.00 O ATOM 47 CB ASN A 4 -9.357 -9.664 20.740 1.00 0.00 C ATOM 48 CG ASN A 4 -10.290 -10.711 20.134 1.00 0.00 C ATOM 49 OD1 ASN A 4 -9.928 -11.855 19.897 1.00 0.00 O ATOM 50 ND2 ASN A 4 -11.525 -10.346 19.871 1.00 0.00 N ATOM 0 H ASN A 4 -6.627 -8.629 21.538 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.975 -11.196 21.307 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.757 -9.345 21.702 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.340 -8.786 20.095 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.180 -11.017 19.470 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.828 -9.392 20.068 1.00 0.00 H new ATOM 57 N SER A 5 -7.489 -11.181 18.723 1.00 0.00 N ATOM 58 CA SER A 5 -6.633 -11.632 17.622 1.00 0.00 C ATOM 59 C SER A 5 -7.415 -12.119 16.392 1.00 0.00 C ATOM 60 O SER A 5 -8.584 -12.502 16.499 1.00 0.00 O ATOM 61 CB SER A 5 -5.722 -12.756 18.136 1.00 0.00 C ATOM 62 OG SER A 5 -6.490 -13.849 18.616 1.00 0.00 O ATOM 0 H SER A 5 -8.400 -11.639 18.743 1.00 0.00 H new ATOM 0 HA SER A 5 -6.053 -10.771 17.290 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.064 -13.092 17.334 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.084 -12.376 18.934 1.00 0.00 H new ATOM 0 HG SER A 5 -5.890 -14.554 18.937 1.00 0.00 H new ATOM 68 N VAL A 6 -6.776 -12.133 15.214 1.00 0.00 N ATOM 69 CA VAL A 6 -7.386 -12.615 13.956 1.00 0.00 C ATOM 70 C VAL A 6 -6.329 -13.069 12.936 1.00 0.00 C ATOM 71 O VAL A 6 -5.183 -12.612 12.995 1.00 0.00 O ATOM 72 CB VAL A 6 -8.371 -11.569 13.362 1.00 0.00 C ATOM 73 CG1 VAL A 6 -7.666 -10.350 12.741 1.00 0.00 C ATOM 74 CG2 VAL A 6 -9.330 -12.191 12.332 1.00 0.00 C ATOM 0 H VAL A 6 -5.815 -11.809 15.101 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.973 -13.500 14.201 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.950 -11.217 14.216 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.412 -9.661 12.346 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.073 -9.845 13.504 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.013 -10.680 11.933 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.998 -11.421 11.946 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.755 -12.618 11.510 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.918 -12.975 12.809 1.00 0.00 H new ATOM 84 N THR A 7 -6.731 -13.945 12.000 1.00 0.00 N ATOM 85 CA THR A 7 -5.923 -14.399 10.855 1.00 0.00 C ATOM 86 C THR A 7 -6.604 -14.034 9.535 1.00 0.00 C ATOM 87 O THR A 7 -7.816 -14.184 9.371 1.00 0.00 O ATOM 88 CB THR A 7 -5.641 -15.905 10.910 1.00 0.00 C ATOM 89 OG1 THR A 7 -5.232 -16.267 12.212 1.00 0.00 O ATOM 90 CG2 THR A 7 -4.523 -16.281 9.934 1.00 0.00 C ATOM 0 H THR A 7 -7.658 -14.371 12.020 1.00 0.00 H new ATOM 0 HA THR A 7 -4.964 -13.884 10.914 1.00 0.00 H new ATOM 0 HB THR A 7 -6.556 -16.431 10.638 1.00 0.00 H new ATOM 0 HG1 THR A 7 -5.055 -17.230 12.243 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.338 -17.354 9.988 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.821 -16.015 8.920 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.613 -15.742 10.198 1.00 0.00 H new ATOM 98 N ILE A 8 -5.817 -13.544 8.578 1.00 0.00 N ATOM 99 CA ILE A 8 -6.276 -12.981 7.298 1.00 0.00 C ATOM 100 C ILE A 8 -5.409 -13.549 6.161 1.00 0.00 C ATOM 101 O ILE A 8 -4.192 -13.421 6.199 1.00 0.00 O ATOM 102 CB ILE A 8 -6.208 -11.426 7.382 1.00 0.00 C ATOM 103 CG1 ILE A 8 -7.008 -10.890 8.602 1.00 0.00 C ATOM 104 CG2 ILE A 8 -6.693 -10.768 6.077 1.00 0.00 C ATOM 105 CD1 ILE A 8 -7.172 -9.363 8.704 1.00 0.00 C ATOM 0 H ILE A 8 -4.801 -13.525 8.672 1.00 0.00 H new ATOM 0 HA ILE A 8 -7.310 -13.258 7.090 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.161 -11.156 7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -8.001 -11.338 8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.519 -11.241 9.511 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -6.632 -9.684 6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -6.065 -11.096 5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.726 -11.058 5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.748 -9.118 9.596 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.190 -8.895 8.766 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -7.695 -8.994 7.822 1.00 0.00 H new ATOM 117 N SER A 9 -5.992 -14.149 5.122 1.00 0.00 N ATOM 118 CA SER A 9 -5.284 -14.364 3.849 1.00 0.00 C ATOM 119 C SER A 9 -5.090 -12.991 3.198 1.00 0.00 C ATOM 120 O SER A 9 -6.060 -12.421 2.694 1.00 0.00 O ATOM 121 CB SER A 9 -6.065 -15.303 2.906 1.00 0.00 C ATOM 122 OG SER A 9 -5.262 -15.675 1.789 1.00 0.00 O ATOM 0 H SER A 9 -6.951 -14.496 5.132 1.00 0.00 H new ATOM 0 HA SER A 9 -4.326 -14.847 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.377 -16.195 3.449 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.972 -14.807 2.560 1.00 0.00 H new ATOM 0 HG SER A 9 -5.733 -15.453 0.959 1.00 0.00 H new ATOM 128 N VAL A 10 -3.880 -12.427 3.233 1.00 0.00 N ATOM 129 CA VAL A 10 -3.544 -11.187 2.524 1.00 0.00 C ATOM 130 C VAL A 10 -3.000 -11.616 1.167 1.00 0.00 C ATOM 131 O VAL A 10 -1.797 -11.747 0.955 1.00 0.00 O ATOM 132 CB VAL A 10 -2.593 -10.247 3.298 1.00 0.00 C ATOM 133 CG1 VAL A 10 -2.306 -8.957 2.501 1.00 0.00 C ATOM 134 CG2 VAL A 10 -3.252 -9.808 4.616 1.00 0.00 C ATOM 0 H VAL A 10 -3.099 -12.820 3.758 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.434 -10.567 2.412 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.669 -10.799 3.470 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.634 -8.318 3.073 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.840 -9.213 1.549 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.241 -8.428 2.316 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.577 -9.145 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.182 -9.281 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.465 -10.686 5.226 1.00 0.00 H new ATOM 144 N GLU A 11 -3.944 -11.899 0.272 1.00 0.00 N ATOM 145 CA GLU A 11 -3.739 -12.381 -1.095 1.00 0.00 C ATOM 146 C GLU A 11 -2.667 -11.587 -1.862 1.00 0.00 C ATOM 147 O GLU A 11 -1.916 -12.172 -2.644 1.00 0.00 O ATOM 148 CB GLU A 11 -5.067 -12.236 -1.865 1.00 0.00 C ATOM 149 CG GLU A 11 -6.238 -13.082 -1.347 1.00 0.00 C ATOM 150 CD GLU A 11 -6.112 -14.538 -1.769 1.00 0.00 C ATOM 151 OE1 GLU A 11 -6.229 -14.816 -2.989 1.00 0.00 O ATOM 152 OE2 GLU A 11 -5.906 -15.406 -0.886 1.00 0.00 O ATOM 0 H GLU A 11 -4.934 -11.792 0.494 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.403 -13.416 -1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.364 -11.188 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.890 -12.496 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.278 -13.021 -0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.176 -12.674 -1.724 1.00 0.00 H new ATOM 159 N GLY A 12 -2.584 -10.270 -1.632 1.00 0.00 N ATOM 160 CA GLY A 12 -1.649 -9.353 -2.298 1.00 0.00 C ATOM 161 C GLY A 12 -0.293 -9.172 -1.602 1.00 0.00 C ATOM 162 O GLY A 12 0.405 -8.225 -1.946 1.00 0.00 O ATOM 0 H GLY A 12 -3.185 -9.798 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.472 -9.714 -3.311 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.126 -8.377 -2.386 1.00 0.00 H new ATOM 166 N MET A 13 0.063 -10.008 -0.620 1.00 0.00 N ATOM 167 CA MET A 13 1.336 -9.957 0.125 1.00 0.00 C ATOM 168 C MET A 13 2.092 -11.299 0.030 1.00 0.00 C ATOM 169 O MET A 13 1.518 -12.338 0.365 1.00 0.00 O ATOM 170 CB MET A 13 1.005 -9.554 1.569 1.00 0.00 C ATOM 171 CG MET A 13 2.208 -9.438 2.512 1.00 0.00 C ATOM 172 SD MET A 13 2.944 -10.984 3.113 1.00 0.00 S ATOM 173 CE MET A 13 1.493 -11.777 3.853 1.00 0.00 C ATOM 0 H MET A 13 -0.544 -10.766 -0.308 1.00 0.00 H new ATOM 0 HA MET A 13 2.013 -9.219 -0.305 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.486 -8.596 1.551 1.00 0.00 H new ATOM 0 HB3 MET A 13 0.310 -10.285 1.982 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.985 -8.871 2.000 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.903 -8.850 3.378 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.817 -12.540 4.561 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.896 -11.029 4.374 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.892 -12.240 3.070 1.00 0.00 H new ATOM 183 N THR A 14 3.368 -11.287 -0.401 1.00 0.00 N ATOM 184 CA THR A 14 4.211 -12.489 -0.613 1.00 0.00 C ATOM 185 C THR A 14 5.719 -12.258 -0.810 1.00 0.00 C ATOM 186 O THR A 14 6.486 -13.207 -0.625 1.00 0.00 O ATOM 187 CB THR A 14 3.621 -13.357 -1.731 1.00 0.00 C ATOM 188 OG1 THR A 14 4.166 -14.662 -1.687 1.00 0.00 O ATOM 189 CG2 THR A 14 3.866 -12.731 -3.096 1.00 0.00 C ATOM 0 H THR A 14 3.858 -10.419 -0.618 1.00 0.00 H new ATOM 0 HA THR A 14 4.175 -13.016 0.341 1.00 0.00 H new ATOM 0 HB THR A 14 2.544 -13.421 -1.573 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.294 -14.932 -0.754 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.437 -13.367 -3.870 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.398 -11.747 -3.134 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.938 -12.629 -3.262 1.00 0.00 H new ATOM 197 N CYS A 15 6.160 -11.063 -1.212 1.00 0.00 N ATOM 198 CA CYS A 15 7.477 -10.842 -1.799 1.00 0.00 C ATOM 199 C CYS A 15 8.538 -10.216 -0.852 1.00 0.00 C ATOM 200 O CYS A 15 9.343 -10.945 -0.258 1.00 0.00 O ATOM 201 CB CYS A 15 7.215 -10.096 -3.120 1.00 0.00 C ATOM 202 SG CYS A 15 6.353 -8.515 -2.880 1.00 0.00 S ATOM 0 H CYS A 15 5.602 -10.213 -1.136 1.00 0.00 H new ATOM 0 HA CYS A 15 7.979 -11.789 -1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.165 -9.914 -3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 15 6.622 -10.731 -3.779 1.00 0.00 H new ATOM 207 N ASN A 16 8.600 -8.882 -0.797 1.00 0.00 N ATOM 208 CA ASN A 16 9.729 -8.119 -0.259 1.00 0.00 C ATOM 209 C ASN A 16 9.306 -6.848 0.511 1.00 0.00 C ATOM 210 O ASN A 16 9.225 -6.896 1.738 1.00 0.00 O ATOM 211 CB ASN A 16 10.751 -7.862 -1.384 1.00 0.00 C ATOM 212 CG ASN A 16 12.145 -7.638 -0.815 1.00 0.00 C ATOM 213 OD1 ASN A 16 12.402 -6.675 -0.106 1.00 0.00 O ATOM 214 ND2 ASN A 16 13.069 -8.540 -1.086 1.00 0.00 N ATOM 0 H ASN A 16 7.844 -8.287 -1.135 1.00 0.00 H new ATOM 0 HA ASN A 16 10.218 -8.719 0.508 1.00 0.00 H new ATOM 0 HB2 ASN A 16 10.766 -8.711 -2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.447 -6.991 -1.964 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.009 -8.438 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 16 12.843 -9.339 -1.678 1.00 0.00 H new ATOM 221 N SER A 17 9.035 -5.717 -0.145 1.00 0.00 N ATOM 222 CA SER A 17 8.739 -4.434 0.529 1.00 0.00 C ATOM 223 C SER A 17 7.227 -4.138 0.657 1.00 0.00 C ATOM 224 O SER A 17 6.788 -3.397 1.543 1.00 0.00 O ATOM 225 CB SER A 17 9.459 -3.285 -0.189 1.00 0.00 C ATOM 226 OG SER A 17 10.851 -3.539 -0.348 1.00 0.00 O ATOM 0 H SER A 17 9.013 -5.657 -1.163 1.00 0.00 H new ATOM 0 HA SER A 17 9.113 -4.522 1.549 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.006 -3.130 -1.168 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.322 -2.363 0.376 1.00 0.00 H new ATOM 0 HG SER A 17 11.341 -2.690 -0.347 1.00 0.00 H new ATOM 232 N CYS A 18 6.409 -4.799 -0.162 1.00 0.00 N ATOM 233 CA CYS A 18 4.987 -5.016 0.030 1.00 0.00 C ATOM 234 C CYS A 18 4.678 -5.552 1.450 1.00 0.00 C ATOM 235 O CYS A 18 3.927 -4.936 2.207 1.00 0.00 O ATOM 236 CB CYS A 18 4.588 -5.972 -1.112 1.00 0.00 C ATOM 237 SG CYS A 18 5.811 -7.280 -1.444 1.00 0.00 S ATOM 0 H CYS A 18 6.748 -5.220 -1.027 1.00 0.00 H new ATOM 0 HA CYS A 18 4.401 -4.098 -0.019 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.633 -6.436 -0.867 1.00 0.00 H new ATOM 0 HB3 CYS A 18 4.436 -5.391 -2.022 1.00 0.00 H new ATOM 242 N VAL A 19 5.326 -6.655 1.827 1.00 0.00 N ATOM 243 CA VAL A 19 5.205 -7.254 3.179 1.00 0.00 C ATOM 244 C VAL A 19 5.618 -6.262 4.287 1.00 0.00 C ATOM 245 O VAL A 19 4.921 -6.129 5.293 1.00 0.00 O ATOM 246 CB VAL A 19 5.897 -8.644 3.332 1.00 0.00 C ATOM 247 CG1 VAL A 19 6.099 -9.364 1.984 1.00 0.00 C ATOM 248 CG2 VAL A 19 7.237 -8.638 4.089 1.00 0.00 C ATOM 0 H VAL A 19 5.955 -7.168 1.209 1.00 0.00 H new ATOM 0 HA VAL A 19 4.143 -7.462 3.307 1.00 0.00 H new ATOM 0 HB VAL A 19 5.183 -9.191 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.584 -10.325 2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.131 -9.525 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.724 -8.751 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.632 -9.653 4.138 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.947 -7.997 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.082 -8.259 5.099 1.00 0.00 H new ATOM 258 N TRP A 20 6.696 -5.491 4.074 1.00 0.00 N ATOM 259 CA TRP A 20 7.167 -4.453 5.004 1.00 0.00 C ATOM 260 C TRP A 20 6.158 -3.296 5.164 1.00 0.00 C ATOM 261 O TRP A 20 5.998 -2.771 6.269 1.00 0.00 O ATOM 262 CB TRP A 20 8.538 -3.959 4.512 1.00 0.00 C ATOM 263 CG TRP A 20 9.125 -2.783 5.233 1.00 0.00 C ATOM 264 CD1 TRP A 20 9.956 -2.840 6.299 1.00 0.00 C ATOM 265 CD2 TRP A 20 8.969 -1.363 4.925 1.00 0.00 C ATOM 266 NE1 TRP A 20 10.317 -1.559 6.675 1.00 0.00 N ATOM 267 CE2 TRP A 20 9.736 -0.611 5.863 1.00 0.00 C ATOM 268 CE3 TRP A 20 8.266 -0.634 3.940 1.00 0.00 C ATOM 269 CZ2 TRP A 20 9.800 0.788 5.831 1.00 0.00 C ATOM 270 CZ3 TRP A 20 8.328 0.772 3.894 1.00 0.00 C ATOM 271 CH2 TRP A 20 9.096 1.484 4.834 1.00 0.00 C ATOM 0 H TRP A 20 7.274 -5.573 3.237 1.00 0.00 H new ATOM 0 HA TRP A 20 7.264 -4.882 6.001 1.00 0.00 H new ATOM 0 HB2 TRP A 20 9.243 -4.787 4.580 1.00 0.00 H new ATOM 0 HB3 TRP A 20 8.449 -3.702 3.456 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.287 -3.747 6.783 1.00 0.00 H new ATOM 0 HE1 TRP A 20 10.936 -1.343 7.456 1.00 0.00 H new ATOM 0 HE3 TRP A 20 7.671 -1.164 3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 10.384 1.325 6.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 7.782 1.308 3.132 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.144 2.562 4.789 1.00 0.00 H new ATOM 282 N THR A 21 5.415 -2.953 4.095 1.00 0.00 N ATOM 283 CA THR A 21 4.339 -1.938 4.115 1.00 0.00 C ATOM 284 C THR A 21 3.283 -2.275 5.166 1.00 0.00 C ATOM 285 O THR A 21 2.804 -1.373 5.849 1.00 0.00 O ATOM 286 CB THR A 21 3.670 -1.773 2.740 1.00 0.00 C ATOM 287 OG1 THR A 21 4.641 -1.494 1.748 1.00 0.00 O ATOM 288 CG2 THR A 21 2.663 -0.613 2.735 1.00 0.00 C ATOM 0 H THR A 21 5.546 -3.379 3.177 1.00 0.00 H new ATOM 0 HA THR A 21 4.812 -0.991 4.375 1.00 0.00 H new ATOM 0 HB THR A 21 3.154 -2.710 2.529 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.246 -2.260 1.657 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.211 -0.528 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.885 -0.803 3.475 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.177 0.316 2.980 1.00 0.00 H new ATOM 296 N ILE A 22 2.956 -3.560 5.353 1.00 0.00 N ATOM 297 CA ILE A 22 2.007 -4.007 6.390 1.00 0.00 C ATOM 298 C ILE A 22 2.466 -3.538 7.776 1.00 0.00 C ATOM 299 O ILE A 22 1.737 -2.816 8.447 1.00 0.00 O ATOM 300 CB ILE A 22 1.801 -5.545 6.364 1.00 0.00 C ATOM 301 CG1 ILE A 22 1.486 -6.126 4.964 1.00 0.00 C ATOM 302 CG2 ILE A 22 0.711 -5.926 7.387 1.00 0.00 C ATOM 303 CD1 ILE A 22 0.164 -5.671 4.335 1.00 0.00 C ATOM 0 H ILE A 22 3.339 -4.321 4.792 1.00 0.00 H new ATOM 0 HA ILE A 22 1.041 -3.551 6.171 1.00 0.00 H new ATOM 0 HB ILE A 22 2.754 -5.997 6.639 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.299 -5.858 4.289 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.477 -7.214 5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.561 -7.006 7.374 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.023 -5.615 8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.222 -5.427 7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.046 -6.139 3.357 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.665 -5.963 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.170 -4.587 4.220 1.00 0.00 H new ATOM 315 N GLU A 23 3.686 -3.890 8.181 1.00 0.00 N ATOM 316 CA GLU A 23 4.251 -3.539 9.491 1.00 0.00 C ATOM 317 C GLU A 23 4.319 -2.013 9.711 1.00 0.00 C ATOM 318 O GLU A 23 4.151 -1.536 10.836 1.00 0.00 O ATOM 319 CB GLU A 23 5.642 -4.185 9.587 1.00 0.00 C ATOM 320 CG GLU A 23 6.185 -4.245 11.020 1.00 0.00 C ATOM 321 CD GLU A 23 7.499 -5.021 11.062 1.00 0.00 C ATOM 322 OE1 GLU A 23 8.508 -4.497 10.535 1.00 0.00 O ATOM 323 OE2 GLU A 23 7.532 -6.151 11.603 1.00 0.00 O ATOM 0 H GLU A 23 4.323 -4.436 7.601 1.00 0.00 H new ATOM 0 HA GLU A 23 3.602 -3.918 10.280 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.595 -5.196 9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.339 -3.624 8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.340 -3.235 11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.453 -4.721 11.673 1.00 0.00 H new ATOM 330 N GLN A 24 4.520 -1.237 8.639 1.00 0.00 N ATOM 331 CA GLN A 24 4.489 0.229 8.673 1.00 0.00 C ATOM 332 C GLN A 24 3.079 0.802 8.888 1.00 0.00 C ATOM 333 O GLN A 24 2.929 1.705 9.709 1.00 0.00 O ATOM 334 CB GLN A 24 5.092 0.806 7.381 1.00 0.00 C ATOM 335 CG GLN A 24 6.603 0.585 7.239 1.00 0.00 C ATOM 336 CD GLN A 24 7.420 1.394 8.245 1.00 0.00 C ATOM 337 OE1 GLN A 24 7.472 2.618 8.210 1.00 0.00 O ATOM 338 NE2 GLN A 24 8.053 0.764 9.209 1.00 0.00 N ATOM 0 H GLN A 24 4.711 -1.616 7.711 1.00 0.00 H new ATOM 0 HA GLN A 24 5.088 0.528 9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.588 0.356 6.526 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.888 1.876 7.344 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.824 -0.475 7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.911 0.854 6.229 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.024 -0.254 9.258 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.574 1.293 9.908 1.00 0.00 H new ATOM 347 N GLN A 25 2.057 0.346 8.152 1.00 0.00 N ATOM 348 CA GLN A 25 0.684 0.856 8.310 1.00 0.00 C ATOM 349 C GLN A 25 0.012 0.372 9.597 1.00 0.00 C ATOM 350 O GLN A 25 -0.720 1.131 10.233 1.00 0.00 O ATOM 351 CB GLN A 25 -0.195 0.457 7.110 1.00 0.00 C ATOM 352 CG GLN A 25 0.206 1.132 5.788 1.00 0.00 C ATOM 353 CD GLN A 25 0.114 2.659 5.838 1.00 0.00 C ATOM 354 OE1 GLN A 25 1.113 3.367 5.797 1.00 0.00 O ATOM 355 NE2 GLN A 25 -1.062 3.236 5.955 1.00 0.00 N ATOM 0 H GLN A 25 2.153 -0.377 7.439 1.00 0.00 H new ATOM 0 HA GLN A 25 0.776 1.941 8.364 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.148 -0.624 6.982 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.232 0.707 7.334 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.227 0.844 5.536 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.436 0.762 4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.908 2.667 5.991 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.128 4.252 6.010 1.00 0.00 H new ATOM 364 N ILE A 26 0.226 -0.893 9.964 1.00 0.00 N ATOM 365 CA ILE A 26 -0.425 -1.554 11.104 1.00 0.00 C ATOM 366 C ILE A 26 0.097 -0.978 12.428 1.00 0.00 C ATOM 367 O ILE A 26 -0.693 -0.521 13.261 1.00 0.00 O ATOM 368 CB ILE A 26 -0.239 -3.081 10.929 1.00 0.00 C ATOM 369 CG1 ILE A 26 -1.021 -3.627 9.702 1.00 0.00 C ATOM 370 CG2 ILE A 26 -0.610 -3.909 12.159 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.551 -3.532 9.759 1.00 0.00 C ATOM 0 H ILE A 26 0.873 -1.504 9.466 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.498 -1.362 11.135 1.00 0.00 H new ATOM 0 HB ILE A 26 0.833 -3.196 10.770 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.680 -3.091 8.816 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.750 -4.674 9.565 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.449 -4.966 11.948 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.013 -3.608 13.001 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.659 -3.744 12.406 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.976 -3.946 8.844 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.919 -4.095 10.617 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.847 -2.488 9.856 1.00 0.00 H new ATOM 383 N GLY A 27 1.423 -0.862 12.575 1.00 0.00 N ATOM 384 CA GLY A 27 2.085 -0.222 13.725 1.00 0.00 C ATOM 385 C GLY A 27 1.649 1.221 14.029 1.00 0.00 C ATOM 386 O GLY A 27 1.960 1.724 15.106 1.00 0.00 O ATOM 0 H GLY A 27 2.083 -1.218 11.883 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.903 -0.831 14.610 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.161 -0.227 13.550 1.00 0.00 H new ATOM 390 N LYS A 28 0.894 1.879 13.139 1.00 0.00 N ATOM 391 CA LYS A 28 0.344 3.229 13.347 1.00 0.00 C ATOM 392 C LYS A 28 -1.197 3.278 13.512 1.00 0.00 C ATOM 393 O LYS A 28 -1.751 4.377 13.627 1.00 0.00 O ATOM 394 CB LYS A 28 0.901 4.137 12.226 1.00 0.00 C ATOM 395 CG LYS A 28 0.960 5.621 12.646 1.00 0.00 C ATOM 396 CD LYS A 28 1.841 6.499 11.741 1.00 0.00 C ATOM 397 CE LYS A 28 3.327 6.143 11.886 1.00 0.00 C ATOM 398 NZ LYS A 28 4.201 7.085 11.154 1.00 0.00 N ATOM 0 H LYS A 28 0.642 1.481 12.234 1.00 0.00 H new ATOM 0 HA LYS A 28 0.675 3.608 14.314 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.901 3.800 11.952 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.277 4.038 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.052 6.026 12.652 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.334 5.683 13.668 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.536 6.374 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.691 7.549 11.993 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.598 6.144 12.942 1.00 0.00 H new ATOM 0 HE3 LYS A 28 3.494 5.132 11.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.195 6.806 11.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.962 7.066 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.062 8.047 11.524 1.00 0.00 H new ATOM 412 N VAL A 29 -1.907 2.141 13.566 1.00 0.00 N ATOM 413 CA VAL A 29 -3.391 2.109 13.648 1.00 0.00 C ATOM 414 C VAL A 29 -3.962 2.811 14.897 1.00 0.00 C ATOM 415 O VAL A 29 -4.699 3.782 14.732 1.00 0.00 O ATOM 416 CB VAL A 29 -3.967 0.688 13.456 1.00 0.00 C ATOM 417 CG1 VAL A 29 -5.481 0.601 13.701 1.00 0.00 C ATOM 418 CG2 VAL A 29 -3.719 0.199 12.019 1.00 0.00 C ATOM 0 H VAL A 29 -1.478 1.216 13.555 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.734 2.704 12.801 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.455 0.070 14.194 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.816 -0.425 13.548 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.702 0.907 14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.001 1.260 13.005 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.130 -0.803 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.203 0.876 11.316 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.647 0.177 11.822 1.00 0.00 H new ATOM 428 N ASN A 30 -3.587 2.353 16.101 1.00 0.00 N ATOM 429 CA ASN A 30 -3.877 2.885 17.455 1.00 0.00 C ATOM 430 C ASN A 30 -3.716 1.827 18.567 1.00 0.00 C ATOM 431 O ASN A 30 -3.239 2.150 19.661 1.00 0.00 O ATOM 432 CB ASN A 30 -5.241 3.603 17.604 1.00 0.00 C ATOM 433 CG ASN A 30 -6.486 2.792 17.238 1.00 0.00 C ATOM 434 OD1 ASN A 30 -6.465 1.582 17.063 1.00 0.00 O ATOM 435 ND2 ASN A 30 -7.628 3.442 17.141 1.00 0.00 N ATOM 0 H ASN A 30 -3.012 1.513 16.164 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.111 3.650 17.582 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.341 3.933 18.638 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.224 4.499 16.984 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -8.486 2.936 16.921 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.654 4.451 17.286 1.00 0.00 H new ATOM 442 N GLY A 31 -4.104 0.574 18.305 1.00 0.00 N ATOM 443 CA GLY A 31 -4.182 -0.505 19.297 1.00 0.00 C ATOM 444 C GLY A 31 -3.385 -1.766 18.971 1.00 0.00 C ATOM 445 O GLY A 31 -3.486 -2.722 19.740 1.00 0.00 O ATOM 0 H GLY A 31 -4.380 0.274 17.370 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.837 -0.117 20.256 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -5.229 -0.782 19.423 1.00 0.00 H new ATOM 449 N VAL A 32 -2.622 -1.838 17.876 1.00 0.00 N ATOM 450 CA VAL A 32 -1.954 -3.113 17.513 1.00 0.00 C ATOM 451 C VAL A 32 -0.921 -3.510 18.573 1.00 0.00 C ATOM 452 O VAL A 32 -0.132 -2.685 19.027 1.00 0.00 O ATOM 453 CB VAL A 32 -1.360 -3.169 16.091 1.00 0.00 C ATOM 454 CG1 VAL A 32 -2.389 -2.609 15.098 1.00 0.00 C ATOM 455 CG2 VAL A 32 0.027 -2.521 15.945 1.00 0.00 C ATOM 0 H VAL A 32 -2.448 -1.062 17.237 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.754 -3.853 17.494 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.165 -4.216 15.861 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.978 -2.644 14.089 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.299 -3.208 15.140 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.622 -1.577 15.359 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.363 -2.609 14.912 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.033 -1.468 16.219 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.736 -3.027 16.601 1.00 0.00 H new ATOM 465 N HIS A 33 -0.947 -4.775 18.996 1.00 0.00 N ATOM 466 CA HIS A 33 -0.004 -5.305 19.984 1.00 0.00 C ATOM 467 C HIS A 33 1.163 -6.039 19.296 1.00 0.00 C ATOM 468 O HIS A 33 2.319 -5.791 19.647 1.00 0.00 O ATOM 469 CB HIS A 33 -0.766 -6.199 20.980 1.00 0.00 C ATOM 470 CG HIS A 33 -1.528 -5.427 22.038 1.00 0.00 C ATOM 471 ND1 HIS A 33 -2.211 -4.243 21.871 1.00 0.00 N ATOM 472 CD2 HIS A 33 -1.596 -5.731 23.374 1.00 0.00 C ATOM 473 CE1 HIS A 33 -2.649 -3.839 23.072 1.00 0.00 C ATOM 474 NE2 HIS A 33 -2.283 -4.702 24.039 1.00 0.00 N ATOM 0 H HIS A 33 -1.623 -5.462 18.663 1.00 0.00 H new ATOM 0 HA HIS A 33 0.446 -4.485 20.544 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.465 -6.827 20.428 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.057 -6.866 21.471 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -2.358 -3.757 20.986 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.188 -6.617 23.838 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.221 -2.939 23.242 1.00 0.00 H new ATOM 482 N HIS A 34 0.895 -6.881 18.290 1.00 0.00 N ATOM 483 CA HIS A 34 1.923 -7.650 17.571 1.00 0.00 C ATOM 484 C HIS A 34 1.456 -8.045 16.153 1.00 0.00 C ATOM 485 O HIS A 34 0.342 -8.552 15.997 1.00 0.00 O ATOM 486 CB HIS A 34 2.259 -8.895 18.410 1.00 0.00 C ATOM 487 CG HIS A 34 3.428 -9.698 17.900 1.00 0.00 C ATOM 488 ND1 HIS A 34 4.686 -9.739 18.455 1.00 0.00 N ATOM 489 CD2 HIS A 34 3.423 -10.572 16.845 1.00 0.00 C ATOM 490 CE1 HIS A 34 5.419 -10.620 17.755 1.00 0.00 C ATOM 491 NE2 HIS A 34 4.690 -11.161 16.759 1.00 0.00 N ATOM 0 H HIS A 34 -0.051 -7.050 17.948 1.00 0.00 H new ATOM 0 HA HIS A 34 2.812 -7.034 17.439 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.469 -8.582 19.433 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.381 -9.540 18.447 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.586 -10.772 16.192 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.451 -10.862 17.962 1.00 0.00 H new ATOM 0 HE2 HIS A 34 4.999 -11.858 16.081 1.00 0.00 H new ATOM 499 N ILE A 35 2.302 -7.853 15.127 1.00 0.00 N ATOM 500 CA ILE A 35 2.029 -8.175 13.713 1.00 0.00 C ATOM 501 C ILE A 35 3.000 -9.238 13.171 1.00 0.00 C ATOM 502 O ILE A 35 4.225 -9.089 13.231 1.00 0.00 O ATOM 503 CB ILE A 35 2.018 -6.885 12.840 1.00 0.00 C ATOM 504 CG1 ILE A 35 1.730 -7.176 11.343 1.00 0.00 C ATOM 505 CG2 ILE A 35 3.247 -5.978 13.044 1.00 0.00 C ATOM 506 CD1 ILE A 35 2.934 -7.414 10.416 1.00 0.00 C ATOM 0 H ILE A 35 3.231 -7.454 15.263 1.00 0.00 H new ATOM 0 HA ILE A 35 1.032 -8.613 13.657 1.00 0.00 H new ATOM 0 HB ILE A 35 1.174 -6.303 13.210 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.087 -8.055 11.290 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.159 -6.338 10.942 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.163 -5.102 12.401 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.296 -5.660 14.085 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.152 -6.529 12.790 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.581 -7.604 9.403 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.574 -6.532 10.417 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.501 -8.275 10.770 1.00 0.00 H new ATOM 518 N LYS A 36 2.443 -10.289 12.565 1.00 0.00 N ATOM 519 CA LYS A 36 3.177 -11.268 11.743 1.00 0.00 C ATOM 520 C LYS A 36 2.554 -11.382 10.336 1.00 0.00 C ATOM 521 O LYS A 36 1.331 -11.436 10.198 1.00 0.00 O ATOM 522 CB LYS A 36 3.192 -12.633 12.464 1.00 0.00 C ATOM 523 CG LYS A 36 4.269 -13.569 11.884 1.00 0.00 C ATOM 524 CD LYS A 36 4.303 -14.956 12.543 1.00 0.00 C ATOM 525 CE LYS A 36 3.172 -15.864 12.039 1.00 0.00 C ATOM 526 NZ LYS A 36 3.260 -17.213 12.647 1.00 0.00 N ATOM 0 H LYS A 36 1.446 -10.492 12.631 1.00 0.00 H new ATOM 0 HA LYS A 36 4.205 -10.929 11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.376 -12.481 13.528 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.213 -13.104 12.373 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.096 -13.689 10.815 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.246 -13.099 11.998 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.264 -15.429 12.341 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.223 -14.845 13.624 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.208 -15.416 12.278 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.224 -15.947 10.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.484 -17.806 12.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.171 -17.647 12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.186 -17.133 13.681 1.00 0.00 H new ATOM 540 N VAL A 37 3.380 -11.454 9.294 1.00 0.00 N ATOM 541 CA VAL A 37 2.973 -11.680 7.899 1.00 0.00 C ATOM 542 C VAL A 37 3.777 -12.840 7.317 1.00 0.00 C ATOM 543 O VAL A 37 4.967 -12.723 7.044 1.00 0.00 O ATOM 544 CB VAL A 37 3.097 -10.409 7.023 1.00 0.00 C ATOM 545 CG1 VAL A 37 1.844 -9.549 7.226 1.00 0.00 C ATOM 546 CG2 VAL A 37 4.353 -9.550 7.268 1.00 0.00 C ATOM 0 H VAL A 37 4.390 -11.353 9.397 1.00 0.00 H new ATOM 0 HA VAL A 37 1.914 -11.937 7.897 1.00 0.00 H new ATOM 0 HB VAL A 37 3.196 -10.765 5.997 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.917 -8.649 6.615 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.961 -10.117 6.932 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.761 -9.268 8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.339 -8.687 6.603 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.365 -9.210 8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.245 -10.145 7.071 1.00 0.00 H new ATOM 556 N SER A 38 3.109 -13.979 7.155 1.00 0.00 N ATOM 557 CA SER A 38 3.692 -15.234 6.676 1.00 0.00 C ATOM 558 C SER A 38 3.734 -15.244 5.145 1.00 0.00 C ATOM 559 O SER A 38 2.951 -15.926 4.483 1.00 0.00 O ATOM 560 CB SER A 38 2.908 -16.430 7.229 1.00 0.00 C ATOM 561 OG SER A 38 2.884 -16.406 8.647 1.00 0.00 O ATOM 0 H SER A 38 2.113 -14.059 7.360 1.00 0.00 H new ATOM 0 HA SER A 38 4.717 -15.316 7.038 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.889 -16.412 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.362 -17.359 6.884 1.00 0.00 H new ATOM 0 HG SER A 38 2.377 -17.177 8.979 1.00 0.00 H new ATOM 567 N LEU A 39 4.634 -14.438 4.578 1.00 0.00 N ATOM 568 CA LEU A 39 4.762 -14.145 3.144 1.00 0.00 C ATOM 569 C LEU A 39 4.891 -15.381 2.237 1.00 0.00 C ATOM 570 O LEU A 39 4.489 -15.335 1.073 1.00 0.00 O ATOM 571 CB LEU A 39 5.945 -13.172 2.991 1.00 0.00 C ATOM 572 CG LEU A 39 7.322 -13.775 3.360 1.00 0.00 C ATOM 573 CD1 LEU A 39 8.098 -14.226 2.118 1.00 0.00 C ATOM 574 CD2 LEU A 39 8.165 -12.746 4.127 1.00 0.00 C ATOM 0 H LEU A 39 5.332 -13.944 5.135 1.00 0.00 H new ATOM 0 HA LEU A 39 3.833 -13.695 2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.980 -12.822 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.765 -12.299 3.618 1.00 0.00 H new ATOM 0 HG LEU A 39 7.133 -14.647 3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.058 -14.643 2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.524 -14.985 1.586 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.264 -13.371 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.131 -13.183 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.318 -11.864 3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.646 -12.459 5.041 1.00 0.00 H new ATOM 586 N GLU A 40 5.405 -16.495 2.765 1.00 0.00 N ATOM 587 CA GLU A 40 5.490 -17.758 2.028 1.00 0.00 C ATOM 588 C GLU A 40 4.136 -18.495 1.931 1.00 0.00 C ATOM 589 O GLU A 40 3.923 -19.269 0.992 1.00 0.00 O ATOM 590 CB GLU A 40 6.605 -18.661 2.592 1.00 0.00 C ATOM 591 CG GLU A 40 6.580 -18.978 4.096 1.00 0.00 C ATOM 592 CD GLU A 40 7.180 -17.856 4.941 1.00 0.00 C ATOM 593 OE1 GLU A 40 8.418 -17.809 5.126 1.00 0.00 O ATOM 594 OE2 GLU A 40 6.403 -17.012 5.439 1.00 0.00 O ATOM 0 H GLU A 40 5.774 -16.547 3.715 1.00 0.00 H new ATOM 0 HA GLU A 40 5.759 -17.503 1.003 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.576 -19.606 2.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.562 -18.192 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.551 -19.154 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.131 -19.900 4.279 1.00 0.00 H new ATOM 601 N GLU A 41 3.208 -18.225 2.857 1.00 0.00 N ATOM 602 CA GLU A 41 1.848 -18.791 2.900 1.00 0.00 C ATOM 603 C GLU A 41 0.751 -17.790 2.465 1.00 0.00 C ATOM 604 O GLU A 41 -0.388 -18.200 2.234 1.00 0.00 O ATOM 605 CB GLU A 41 1.525 -19.265 4.332 1.00 0.00 C ATOM 606 CG GLU A 41 2.430 -20.381 4.873 1.00 0.00 C ATOM 607 CD GLU A 41 1.851 -21.035 6.136 1.00 0.00 C ATOM 608 OE1 GLU A 41 1.866 -20.417 7.231 1.00 0.00 O ATOM 609 OE2 GLU A 41 1.417 -22.212 6.061 1.00 0.00 O ATOM 0 H GLU A 41 3.388 -17.582 3.628 1.00 0.00 H new ATOM 0 HA GLU A 41 1.843 -19.620 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.590 -18.409 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.492 -19.613 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.568 -21.140 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.415 -19.971 5.097 1.00 0.00 H new ATOM 616 N LYS A 42 1.062 -16.487 2.412 1.00 0.00 N ATOM 617 CA LYS A 42 0.177 -15.333 2.150 1.00 0.00 C ATOM 618 C LYS A 42 -0.847 -15.037 3.272 1.00 0.00 C ATOM 619 O LYS A 42 -1.688 -14.144 3.135 1.00 0.00 O ATOM 620 CB LYS A 42 -0.445 -15.399 0.741 1.00 0.00 C ATOM 621 CG LYS A 42 0.650 -15.464 -0.340 1.00 0.00 C ATOM 622 CD LYS A 42 0.229 -14.812 -1.663 1.00 0.00 C ATOM 623 CE LYS A 42 -1.031 -15.452 -2.235 1.00 0.00 C ATOM 624 NZ LYS A 42 -1.399 -14.845 -3.535 1.00 0.00 N ATOM 0 H LYS A 42 2.023 -16.182 2.564 1.00 0.00 H new ATOM 0 HA LYS A 42 0.824 -14.456 2.166 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.090 -16.274 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.074 -14.524 0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.548 -14.971 0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.911 -16.507 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 42 0.056 -13.748 -1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.041 -14.899 -2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.872 -16.523 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.854 -15.334 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.220 -15.346 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.639 -13.843 -3.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.597 -14.920 -4.193 1.00 0.00 H new ATOM 638 N ASN A 43 -0.781 -15.726 4.419 1.00 0.00 N ATOM 639 CA ASN A 43 -1.582 -15.394 5.597 1.00 0.00 C ATOM 640 C ASN A 43 -0.855 -14.410 6.530 1.00 0.00 C ATOM 641 O ASN A 43 0.370 -14.389 6.629 1.00 0.00 O ATOM 642 CB ASN A 43 -2.100 -16.650 6.315 1.00 0.00 C ATOM 643 CG ASN A 43 -1.056 -17.380 7.153 1.00 0.00 C ATOM 644 OD1 ASN A 43 -0.707 -16.953 8.245 1.00 0.00 O ATOM 645 ND2 ASN A 43 -0.543 -18.500 6.686 1.00 0.00 N ATOM 0 H ASN A 43 -0.168 -16.530 4.553 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.470 -14.868 5.248 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.931 -16.366 6.961 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.496 -17.340 5.570 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.147 -19.013 7.235 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -0.836 -18.854 5.775 1.00 0.00 H new ATOM 652 N ALA A 44 -1.644 -13.593 7.208 1.00 0.00 N ATOM 653 CA ALA A 44 -1.260 -12.561 8.162 1.00 0.00 C ATOM 654 C ALA A 44 -1.949 -12.839 9.510 1.00 0.00 C ATOM 655 O ALA A 44 -3.157 -13.088 9.528 1.00 0.00 O ATOM 656 CB ALA A 44 -1.700 -11.216 7.560 1.00 0.00 C ATOM 0 H ALA A 44 -2.657 -13.637 7.097 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.186 -12.546 8.346 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.433 -10.408 8.241 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.200 -11.065 6.603 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.779 -11.221 7.408 1.00 0.00 H new ATOM 662 N THR A 45 -1.201 -12.796 10.620 1.00 0.00 N ATOM 663 CA THR A 45 -1.687 -13.071 11.986 1.00 0.00 C ATOM 664 C THR A 45 -1.392 -11.865 12.864 1.00 0.00 C ATOM 665 O THR A 45 -0.316 -11.276 12.776 1.00 0.00 O ATOM 666 CB THR A 45 -1.024 -14.321 12.581 1.00 0.00 C ATOM 667 OG1 THR A 45 -1.156 -15.400 11.689 1.00 0.00 O ATOM 668 CG2 THR A 45 -1.675 -14.755 13.896 1.00 0.00 C ATOM 0 H THR A 45 -0.209 -12.562 10.595 1.00 0.00 H new ATOM 0 HA THR A 45 -2.760 -13.256 11.942 1.00 0.00 H new ATOM 0 HB THR A 45 0.020 -14.061 12.759 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.730 -16.195 12.072 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.170 -15.643 14.276 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.592 -13.950 14.626 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.727 -14.982 13.724 1.00 0.00 H new ATOM 676 N ILE A 46 -2.334 -11.485 13.724 1.00 0.00 N ATOM 677 CA ILE A 46 -2.241 -10.232 14.484 1.00 0.00 C ATOM 678 C ILE A 46 -3.013 -10.265 15.801 1.00 0.00 C ATOM 679 O ILE A 46 -4.134 -10.782 15.865 1.00 0.00 O ATOM 680 CB ILE A 46 -2.648 -9.042 13.583 1.00 0.00 C ATOM 681 CG1 ILE A 46 -2.566 -7.691 14.327 1.00 0.00 C ATOM 682 CG2 ILE A 46 -4.053 -9.201 12.969 1.00 0.00 C ATOM 683 CD1 ILE A 46 -2.219 -6.550 13.379 1.00 0.00 C ATOM 0 H ILE A 46 -3.176 -12.027 13.916 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.201 -10.100 14.781 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.921 -9.045 12.770 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.519 -7.484 14.813 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.814 -7.753 15.114 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.279 -8.334 12.348 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.083 -10.103 12.358 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.792 -9.279 13.767 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.170 -5.615 13.937 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.253 -6.745 12.913 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.985 -6.472 12.608 1.00 0.00 H new ATOM 695 N ILE A 47 -2.402 -9.659 16.826 1.00 0.00 N ATOM 696 CA ILE A 47 -3.059 -9.265 18.087 1.00 0.00 C ATOM 697 C ILE A 47 -3.267 -7.745 18.114 1.00 0.00 C ATOM 698 O ILE A 47 -2.326 -6.976 17.891 1.00 0.00 O ATOM 699 CB ILE A 47 -2.263 -9.737 19.330 1.00 0.00 C ATOM 700 CG1 ILE A 47 -2.044 -11.268 19.289 1.00 0.00 C ATOM 701 CG2 ILE A 47 -2.987 -9.325 20.632 1.00 0.00 C ATOM 702 CD1 ILE A 47 -1.493 -11.858 20.592 1.00 0.00 C ATOM 0 H ILE A 47 -1.410 -9.421 16.805 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.030 -9.759 18.128 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.287 -9.251 19.314 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.992 -11.753 19.055 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.356 -11.504 18.477 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -2.411 -9.666 21.492 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.083 -8.240 20.667 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.978 -9.778 20.656 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.368 -12.935 20.480 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.529 -11.403 20.818 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.189 -11.656 21.406 1.00 0.00 H new ATOM 714 N TYR A 48 -4.488 -7.329 18.442 1.00 0.00 N ATOM 715 CA TYR A 48 -4.942 -5.943 18.592 1.00 0.00 C ATOM 716 C TYR A 48 -5.652 -5.700 19.937 1.00 0.00 C ATOM 717 O TYR A 48 -6.175 -6.619 20.568 1.00 0.00 O ATOM 718 CB TYR A 48 -5.888 -5.594 17.427 1.00 0.00 C ATOM 719 CG TYR A 48 -7.062 -6.551 17.240 1.00 0.00 C ATOM 720 CD1 TYR A 48 -6.916 -7.681 16.408 1.00 0.00 C ATOM 721 CD2 TYR A 48 -8.297 -6.320 17.882 1.00 0.00 C ATOM 722 CE1 TYR A 48 -7.995 -8.562 16.212 1.00 0.00 C ATOM 723 CE2 TYR A 48 -9.384 -7.195 17.680 1.00 0.00 C ATOM 724 CZ TYR A 48 -9.233 -8.325 16.844 1.00 0.00 C ATOM 725 OH TYR A 48 -10.265 -9.189 16.635 1.00 0.00 O ATOM 0 H TYR A 48 -5.240 -7.994 18.623 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.063 -5.299 18.575 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.280 -4.589 17.585 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.309 -5.569 16.504 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -5.972 -7.870 15.919 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.411 -5.466 18.533 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -7.874 -9.425 15.574 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -10.330 -7.002 18.163 1.00 0.00 H new ATOM 0 HH TYR A 48 -11.050 -8.890 17.140 1.00 0.00 H new ATOM 735 N ASP A 49 -5.701 -4.435 20.358 1.00 0.00 N ATOM 736 CA ASP A 49 -6.441 -3.992 21.539 1.00 0.00 C ATOM 737 C ASP A 49 -7.967 -4.052 21.286 1.00 0.00 C ATOM 738 O ASP A 49 -8.452 -3.351 20.385 1.00 0.00 O ATOM 739 CB ASP A 49 -5.993 -2.570 21.903 1.00 0.00 C ATOM 740 CG ASP A 49 -6.402 -2.173 23.319 1.00 0.00 C ATOM 741 OD1 ASP A 49 -7.603 -2.284 23.653 1.00 0.00 O ATOM 742 OD2 ASP A 49 -5.506 -1.742 24.083 1.00 0.00 O ATOM 0 H ASP A 49 -5.218 -3.676 19.878 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.227 -4.658 22.375 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.910 -2.498 21.808 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.423 -1.864 21.193 1.00 0.00 H new ATOM 747 N PRO A 50 -8.732 -4.851 22.060 1.00 0.00 N ATOM 748 CA PRO A 50 -10.161 -5.053 21.838 1.00 0.00 C ATOM 749 C PRO A 50 -11.000 -3.819 22.183 1.00 0.00 C ATOM 750 O PRO A 50 -12.123 -3.704 21.695 1.00 0.00 O ATOM 751 CB PRO A 50 -10.546 -6.248 22.717 1.00 0.00 C ATOM 752 CG PRO A 50 -9.535 -6.200 23.858 1.00 0.00 C ATOM 753 CD PRO A 50 -8.277 -5.680 23.168 1.00 0.00 C ATOM 0 HA PRO A 50 -10.360 -5.235 20.782 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.569 -6.161 23.084 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.484 -7.187 22.166 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.860 -5.538 24.660 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.377 -7.183 24.301 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.664 -5.102 23.860 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -7.661 -6.505 22.809 1.00 0.00 H new ATOM 761 N LYS A 51 -10.486 -2.879 22.987 1.00 0.00 N ATOM 762 CA LYS A 51 -11.165 -1.601 23.243 1.00 0.00 C ATOM 763 C LYS A 51 -11.166 -0.679 22.010 1.00 0.00 C ATOM 764 O LYS A 51 -12.098 0.109 21.841 1.00 0.00 O ATOM 765 CB LYS A 51 -10.509 -0.889 24.440 1.00 0.00 C ATOM 766 CG LYS A 51 -10.493 -1.745 25.717 1.00 0.00 C ATOM 767 CD LYS A 51 -9.934 -0.981 26.926 1.00 0.00 C ATOM 768 CE LYS A 51 -8.516 -0.407 26.749 1.00 0.00 C ATOM 769 NZ LYS A 51 -7.519 -1.403 26.283 1.00 0.00 N ATOM 0 H LYS A 51 -9.596 -2.981 23.475 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.206 -1.826 23.475 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.486 -0.619 24.178 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.043 0.040 24.639 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.506 -2.080 25.939 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.892 -2.638 25.545 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -10.612 -0.161 27.161 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.932 -1.649 27.787 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.554 0.416 26.035 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.182 0.010 27.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -6.586 -0.950 26.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.466 -2.186 26.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.805 -1.772 25.354 1.00 0.00 H new ATOM 783 N LEU A 52 -10.137 -0.753 21.154 1.00 0.00 N ATOM 784 CA LEU A 52 -9.995 0.108 19.975 1.00 0.00 C ATOM 785 C LEU A 52 -10.492 -0.571 18.692 1.00 0.00 C ATOM 786 O LEU A 52 -11.272 0.038 17.954 1.00 0.00 O ATOM 787 CB LEU A 52 -8.519 0.544 19.812 1.00 0.00 C ATOM 788 CG LEU A 52 -7.978 1.644 20.754 1.00 0.00 C ATOM 789 CD1 LEU A 52 -8.830 2.921 20.705 1.00 0.00 C ATOM 790 CD2 LEU A 52 -7.831 1.179 22.209 1.00 0.00 C ATOM 0 H LEU A 52 -9.373 -1.420 21.263 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.621 0.986 20.137 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.894 -0.340 19.938 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.384 0.887 18.786 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.981 1.870 20.376 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.411 3.664 21.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -8.834 3.317 19.690 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.851 2.689 21.008 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.447 1.999 22.816 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.803 0.869 22.592 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.138 0.339 22.254 1.00 0.00 H new ATOM 802 N GLN A 53 -10.019 -1.787 18.398 1.00 0.00 N ATOM 803 CA GLN A 53 -10.071 -2.369 17.051 1.00 0.00 C ATOM 804 C GLN A 53 -10.988 -3.597 16.948 1.00 0.00 C ATOM 805 O GLN A 53 -11.368 -4.210 17.947 1.00 0.00 O ATOM 806 CB GLN A 53 -8.652 -2.768 16.593 1.00 0.00 C ATOM 807 CG GLN A 53 -7.601 -1.647 16.697 1.00 0.00 C ATOM 808 CD GLN A 53 -6.256 -1.966 16.036 1.00 0.00 C ATOM 809 OE1 GLN A 53 -5.210 -1.510 16.467 1.00 0.00 O ATOM 810 NE2 GLN A 53 -6.193 -2.758 14.987 1.00 0.00 N ATOM 0 H GLN A 53 -9.587 -2.399 19.091 1.00 0.00 H new ATOM 0 HA GLN A 53 -10.489 -1.597 16.405 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.318 -3.617 17.190 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.701 -3.106 15.558 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.008 -0.743 16.243 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.429 -1.425 17.750 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.047 -3.158 14.598 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.290 -2.972 14.563 1.00 0.00 H new ATOM 819 N THR A 54 -11.282 -3.976 15.701 1.00 0.00 N ATOM 820 CA THR A 54 -11.953 -5.210 15.258 1.00 0.00 C ATOM 821 C THR A 54 -11.246 -5.717 13.989 1.00 0.00 C ATOM 822 O THR A 54 -10.444 -4.964 13.428 1.00 0.00 O ATOM 823 CB THR A 54 -13.427 -4.922 14.944 1.00 0.00 C ATOM 824 OG1 THR A 54 -13.477 -3.870 14.014 1.00 0.00 O ATOM 825 CG2 THR A 54 -14.248 -4.573 16.184 1.00 0.00 C ATOM 0 H THR A 54 -11.039 -3.382 14.908 1.00 0.00 H new ATOM 0 HA THR A 54 -11.904 -5.962 16.045 1.00 0.00 H new ATOM 0 HB THR A 54 -13.873 -5.829 14.537 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.411 -3.670 13.797 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.281 -4.380 15.894 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.218 -5.406 16.887 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.832 -3.683 16.657 1.00 0.00 H new ATOM 833 N PRO A 55 -11.527 -6.935 13.478 1.00 0.00 N ATOM 834 CA PRO A 55 -10.983 -7.405 12.201 1.00 0.00 C ATOM 835 C PRO A 55 -11.260 -6.442 11.045 1.00 0.00 C ATOM 836 O PRO A 55 -10.404 -6.280 10.182 1.00 0.00 O ATOM 837 CB PRO A 55 -11.639 -8.763 11.943 1.00 0.00 C ATOM 838 CG PRO A 55 -11.980 -9.260 13.344 1.00 0.00 C ATOM 839 CD PRO A 55 -12.348 -7.973 14.079 1.00 0.00 C ATOM 0 HA PRO A 55 -9.897 -7.474 12.260 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.530 -8.668 11.322 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.963 -9.445 11.428 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.808 -9.969 13.331 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -11.134 -9.765 13.811 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.409 -7.748 13.969 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -12.150 -8.061 15.147 1.00 0.00 H new ATOM 847 N LYS A 56 -12.401 -5.742 11.064 1.00 0.00 N ATOM 848 CA LYS A 56 -12.700 -4.646 10.135 1.00 0.00 C ATOM 849 C LYS A 56 -11.583 -3.589 10.077 1.00 0.00 C ATOM 850 O LYS A 56 -11.165 -3.218 8.978 1.00 0.00 O ATOM 851 CB LYS A 56 -14.051 -4.030 10.529 1.00 0.00 C ATOM 852 CG LYS A 56 -14.449 -2.852 9.633 1.00 0.00 C ATOM 853 CD LYS A 56 -15.850 -2.363 10.000 1.00 0.00 C ATOM 854 CE LYS A 56 -16.247 -1.245 9.037 1.00 0.00 C ATOM 855 NZ LYS A 56 -17.674 -0.891 9.182 1.00 0.00 N ATOM 0 H LYS A 56 -13.150 -5.923 11.732 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.759 -5.050 9.125 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.824 -4.797 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.004 -3.693 11.565 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.731 -2.040 9.746 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -14.424 -3.156 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.564 -3.184 9.941 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.866 -2.000 11.028 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -15.631 -0.365 9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.051 -1.559 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.912 -0.129 8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -18.261 -1.725 8.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.855 -0.569 10.154 1.00 0.00 H new ATOM 869 N THR A 57 -11.038 -3.158 11.226 1.00 0.00 N ATOM 870 CA THR A 57 -9.898 -2.222 11.296 1.00 0.00 C ATOM 871 C THR A 57 -8.682 -2.791 10.564 1.00 0.00 C ATOM 872 O THR A 57 -8.028 -2.082 9.804 1.00 0.00 O ATOM 873 CB THR A 57 -9.510 -1.909 12.752 1.00 0.00 C ATOM 874 OG1 THR A 57 -10.633 -1.809 13.597 1.00 0.00 O ATOM 875 CG2 THR A 57 -8.738 -0.594 12.839 1.00 0.00 C ATOM 0 H THR A 57 -11.377 -3.451 12.142 1.00 0.00 H new ATOM 0 HA THR A 57 -10.215 -1.298 10.812 1.00 0.00 H new ATOM 0 HB THR A 57 -8.889 -2.741 13.083 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.503 -1.071 14.228 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.475 -0.395 13.878 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.829 -0.666 12.242 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.358 0.218 12.460 1.00 0.00 H new ATOM 883 N LEU A 58 -8.396 -4.084 10.759 1.00 0.00 N ATOM 884 CA LEU A 58 -7.257 -4.770 10.140 1.00 0.00 C ATOM 885 C LEU A 58 -7.440 -4.965 8.626 1.00 0.00 C ATOM 886 O LEU A 58 -6.475 -4.814 7.881 1.00 0.00 O ATOM 887 CB LEU A 58 -6.988 -6.112 10.864 1.00 0.00 C ATOM 888 CG LEU A 58 -6.447 -6.054 12.314 1.00 0.00 C ATOM 889 CD1 LEU A 58 -5.323 -5.029 12.470 1.00 0.00 C ATOM 890 CD2 LEU A 58 -7.493 -5.766 13.393 1.00 0.00 C ATOM 0 H LEU A 58 -8.956 -4.690 11.358 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.381 -4.132 10.255 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.919 -6.679 10.876 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.277 -6.680 10.264 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.079 -7.068 12.473 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.976 -5.024 13.503 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.496 -5.293 11.811 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.695 -4.039 12.208 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.011 -5.747 14.371 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.959 -4.800 13.199 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -8.254 -6.546 13.379 1.00 0.00 H new ATOM 902 N GLN A 59 -8.658 -5.252 8.161 1.00 0.00 N ATOM 903 CA GLN A 59 -9.009 -5.288 6.738 1.00 0.00 C ATOM 904 C GLN A 59 -8.898 -3.895 6.082 1.00 0.00 C ATOM 905 O GLN A 59 -8.358 -3.788 4.980 1.00 0.00 O ATOM 906 CB GLN A 59 -10.448 -5.810 6.574 1.00 0.00 C ATOM 907 CG GLN A 59 -10.637 -7.292 6.934 1.00 0.00 C ATOM 908 CD GLN A 59 -12.076 -7.738 6.692 1.00 0.00 C ATOM 909 OE1 GLN A 59 -12.925 -7.718 7.578 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.405 -8.135 5.487 1.00 0.00 N ATOM 0 H GLN A 59 -9.443 -5.470 8.774 1.00 0.00 H new ATOM 0 HA GLN A 59 -8.303 -5.953 6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -11.111 -5.211 7.198 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -10.760 -5.658 5.541 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.959 -7.903 6.339 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -10.375 -7.451 7.980 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.703 -8.154 4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.363 -8.425 5.289 1.00 0.00 H new ATOM 919 N GLU A 60 -9.396 -2.833 6.733 1.00 0.00 N ATOM 920 CA GLU A 60 -9.414 -1.465 6.199 1.00 0.00 C ATOM 921 C GLU A 60 -8.017 -0.822 6.130 1.00 0.00 C ATOM 922 O GLU A 60 -7.762 0.002 5.249 1.00 0.00 O ATOM 923 CB GLU A 60 -10.383 -0.605 7.032 1.00 0.00 C ATOM 924 CG GLU A 60 -10.677 0.731 6.337 1.00 0.00 C ATOM 925 CD GLU A 60 -11.820 1.505 6.988 1.00 0.00 C ATOM 926 OE1 GLU A 60 -11.634 2.084 8.083 1.00 0.00 O ATOM 927 OE2 GLU A 60 -12.917 1.592 6.384 1.00 0.00 O ATOM 0 H GLU A 60 -9.806 -2.904 7.664 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.763 -1.518 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -11.314 -1.149 7.188 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.954 -0.419 8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.777 1.346 6.349 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.922 0.544 5.291 1.00 0.00 H new ATOM 934 N ALA A 61 -7.083 -1.218 7.005 1.00 0.00 N ATOM 935 CA ALA A 61 -5.692 -0.757 6.943 1.00 0.00 C ATOM 936 C ALA A 61 -4.992 -1.124 5.620 1.00 0.00 C ATOM 937 O ALA A 61 -4.043 -0.441 5.228 1.00 0.00 O ATOM 938 CB ALA A 61 -4.923 -1.322 8.144 1.00 0.00 C ATOM 0 H ALA A 61 -7.270 -1.864 7.772 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.700 0.332 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.888 -0.984 8.105 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.384 -0.973 9.068 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.950 -2.411 8.114 1.00 0.00 H new ATOM 944 N ILE A 62 -5.446 -2.182 4.937 1.00 0.00 N ATOM 945 CA ILE A 62 -4.966 -2.606 3.609 1.00 0.00 C ATOM 946 C ILE A 62 -5.425 -1.660 2.485 1.00 0.00 C ATOM 947 O ILE A 62 -4.782 -1.588 1.435 1.00 0.00 O ATOM 948 CB ILE A 62 -5.404 -4.073 3.333 1.00 0.00 C ATOM 949 CG1 ILE A 62 -5.198 -5.036 4.529 1.00 0.00 C ATOM 950 CG2 ILE A 62 -4.694 -4.660 2.099 1.00 0.00 C ATOM 951 CD1 ILE A 62 -3.793 -5.025 5.148 1.00 0.00 C ATOM 0 H ILE A 62 -6.181 -2.788 5.302 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.877 -2.557 3.617 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.476 -4.000 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.921 -4.784 5.305 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.424 -6.050 4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.028 -5.686 1.941 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.935 -4.061 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.616 -4.650 2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.755 -5.733 5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.060 -5.310 4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.565 -4.024 5.515 1.00 0.00 H new ATOM 963 N ASP A 63 -6.528 -0.931 2.677 1.00 0.00 N ATOM 964 CA ASP A 63 -7.120 -0.067 1.650 1.00 0.00 C ATOM 965 C ASP A 63 -6.330 1.222 1.364 1.00 0.00 C ATOM 966 O ASP A 63 -6.643 1.906 0.396 1.00 0.00 O ATOM 967 CB ASP A 63 -8.598 0.218 1.970 1.00 0.00 C ATOM 968 CG ASP A 63 -9.358 0.732 0.740 1.00 0.00 C ATOM 969 OD1 ASP A 63 -9.429 -0.022 -0.263 1.00 0.00 O ATOM 970 OD2 ASP A 63 -9.901 1.864 0.784 1.00 0.00 O ATOM 0 H ASP A 63 -7.041 -0.924 3.559 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.064 -0.628 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -9.073 -0.692 2.337 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.661 0.955 2.771 1.00 0.00 H new ATOM 975 N ASP A 64 -5.309 1.557 2.161 1.00 0.00 N ATOM 976 CA ASP A 64 -4.451 2.738 1.964 1.00 0.00 C ATOM 977 C ASP A 64 -3.590 2.655 0.695 1.00 0.00 C ATOM 978 O ASP A 64 -3.391 3.663 0.011 1.00 0.00 O ATOM 979 CB ASP A 64 -3.549 2.922 3.195 1.00 0.00 C ATOM 980 CG ASP A 64 -4.253 3.754 4.264 1.00 0.00 C ATOM 981 OD1 ASP A 64 -5.037 3.195 5.067 1.00 0.00 O ATOM 982 OD2 ASP A 64 -4.024 4.983 4.306 1.00 0.00 O ATOM 0 H ASP A 64 -5.048 1.005 2.978 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.110 3.597 1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.281 1.948 3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.620 3.411 2.901 1.00 0.00 H new ATOM 987 N MET A 65 -3.123 1.453 0.353 1.00 0.00 N ATOM 988 CA MET A 65 -2.309 1.171 -0.832 1.00 0.00 C ATOM 989 C MET A 65 -3.170 0.599 -1.976 1.00 0.00 C ATOM 990 O MET A 65 -4.077 1.283 -2.453 1.00 0.00 O ATOM 991 CB MET A 65 -1.064 0.345 -0.433 1.00 0.00 C ATOM 992 CG MET A 65 -1.303 -0.891 0.447 1.00 0.00 C ATOM 993 SD MET A 65 -1.367 -0.537 2.225 1.00 0.00 S ATOM 994 CE MET A 65 -1.235 -2.223 2.864 1.00 0.00 C ATOM 0 H MET A 65 -3.307 0.620 0.912 1.00 0.00 H new ATOM 0 HA MET A 65 -1.909 2.094 -1.253 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.566 0.020 -1.346 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.372 1.005 0.090 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.240 -1.361 0.148 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.510 -1.615 0.260 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.452 -2.225 3.932 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.949 -2.865 2.347 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.225 -2.597 2.698 1.00 0.00 H new ATOM 1004 N GLY A 66 -2.853 -0.611 -2.453 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.572 -1.320 -3.516 1.00 0.00 C ATOM 1006 C GLY A 66 -3.361 -2.831 -3.436 1.00 0.00 C ATOM 1007 O GLY A 66 -2.772 -3.415 -4.345 1.00 0.00 O ATOM 0 H GLY A 66 -2.059 -1.142 -2.095 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.637 -1.098 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.235 -0.957 -4.487 1.00 0.00 H new ATOM 1011 N PHE A 67 -3.801 -3.445 -2.336 1.00 0.00 N ATOM 1012 CA PHE A 67 -3.677 -4.886 -2.070 1.00 0.00 C ATOM 1013 C PHE A 67 -5.026 -5.501 -1.657 1.00 0.00 C ATOM 1014 O PHE A 67 -6.012 -4.804 -1.429 1.00 0.00 O ATOM 1015 CB PHE A 67 -2.596 -5.139 -0.998 1.00 0.00 C ATOM 1016 CG PHE A 67 -1.161 -4.791 -1.367 1.00 0.00 C ATOM 1017 CD1 PHE A 67 -0.611 -5.175 -2.606 1.00 0.00 C ATOM 1018 CD2 PHE A 67 -0.342 -4.141 -0.424 1.00 0.00 C ATOM 1019 CE1 PHE A 67 0.731 -4.880 -2.906 1.00 0.00 C ATOM 1020 CE2 PHE A 67 0.997 -3.835 -0.727 1.00 0.00 C ATOM 1021 CZ PHE A 67 1.532 -4.198 -1.974 1.00 0.00 C ATOM 0 H PHE A 67 -4.268 -2.942 -1.581 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.370 -5.377 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.864 -4.571 -0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.629 -6.194 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.222 -5.697 -3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.746 -3.875 0.542 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.148 -5.179 -3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.612 -3.322 -0.003 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.556 -3.954 -2.216 1.00 0.00 H new ATOM 1031 N ASP A 68 -5.065 -6.831 -1.568 1.00 0.00 N ATOM 1032 CA ASP A 68 -6.282 -7.625 -1.385 1.00 0.00 C ATOM 1033 C ASP A 68 -6.130 -8.568 -0.190 1.00 0.00 C ATOM 1034 O ASP A 68 -5.034 -9.073 0.072 1.00 0.00 O ATOM 1035 CB ASP A 68 -6.559 -8.435 -2.657 1.00 0.00 C ATOM 1036 CG ASP A 68 -6.738 -7.550 -3.888 1.00 0.00 C ATOM 1037 OD1 ASP A 68 -7.603 -6.644 -3.877 1.00 0.00 O ATOM 1038 OD2 ASP A 68 -6.011 -7.767 -4.885 1.00 0.00 O ATOM 0 H ASP A 68 -4.223 -7.405 -1.623 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.118 -6.953 -1.192 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.735 -9.128 -2.829 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.457 -9.036 -2.512 1.00 0.00 H new ATOM 1043 N ALA A 69 -7.235 -8.807 0.521 1.00 0.00 N ATOM 1044 CA ALA A 69 -7.254 -9.551 1.776 1.00 0.00 C ATOM 1045 C ALA A 69 -8.625 -10.185 2.073 1.00 0.00 C ATOM 1046 O ALA A 69 -9.669 -9.595 1.779 1.00 0.00 O ATOM 1047 CB ALA A 69 -6.793 -8.614 2.901 1.00 0.00 C ATOM 0 H ALA A 69 -8.157 -8.481 0.232 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.567 -10.394 1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.800 -9.152 3.849 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.783 -8.263 2.691 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.468 -7.761 2.963 1.00 0.00 H new ATOM 1053 N VAL A 70 -8.618 -11.368 2.690 1.00 0.00 N ATOM 1054 CA VAL A 70 -9.798 -12.203 2.966 1.00 0.00 C ATOM 1055 C VAL A 70 -9.656 -12.805 4.364 1.00 0.00 C ATOM 1056 O VAL A 70 -8.589 -13.311 4.708 1.00 0.00 O ATOM 1057 CB VAL A 70 -9.940 -13.354 1.933 1.00 0.00 C ATOM 1058 CG1 VAL A 70 -11.267 -14.109 2.111 1.00 0.00 C ATOM 1059 CG2 VAL A 70 -9.853 -12.868 0.474 1.00 0.00 C ATOM 0 H VAL A 70 -7.754 -11.793 3.027 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.686 -11.575 2.898 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.099 -14.019 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.333 -14.907 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.311 -14.537 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.099 -13.419 1.975 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.959 -13.718 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.651 -12.151 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.887 -12.391 0.306 1.00 0.00 H new ATOM 1069 N ILE A 71 -10.701 -12.761 5.191 1.00 0.00 N ATOM 1070 CA ILE A 71 -10.639 -13.312 6.559 1.00 0.00 C ATOM 1071 C ILE A 71 -10.483 -14.847 6.555 1.00 0.00 C ATOM 1072 O ILE A 71 -11.146 -15.547 5.786 1.00 0.00 O ATOM 1073 CB ILE A 71 -11.855 -12.843 7.393 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -11.891 -11.306 7.581 1.00 0.00 C ATOM 1075 CG2 ILE A 71 -11.896 -13.557 8.757 1.00 0.00 C ATOM 1076 CD1 ILE A 71 -10.641 -10.683 8.210 1.00 0.00 C ATOM 0 H ILE A 71 -11.602 -12.352 4.945 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.743 -12.919 7.040 1.00 0.00 H new ATOM 0 HB ILE A 71 -12.745 -13.116 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.054 -10.843 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.751 -11.055 8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.760 -13.210 9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.972 -14.633 8.602 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.985 -13.334 9.312 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.775 -9.605 8.294 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.482 -11.108 9.201 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -9.775 -10.893 7.583 1.00 0.00 H new ATOM 1088 N HIS A 72 -9.629 -15.380 7.440 1.00 0.00 N ATOM 1089 CA HIS A 72 -9.248 -16.800 7.462 1.00 0.00 C ATOM 1090 C HIS A 72 -8.892 -17.316 8.878 1.00 0.00 C ATOM 1091 O HIS A 72 -7.943 -18.082 9.065 1.00 0.00 O ATOM 1092 CB HIS A 72 -8.126 -17.027 6.432 1.00 0.00 C ATOM 1093 CG HIS A 72 -8.329 -18.306 5.669 1.00 0.00 C ATOM 1094 ND1 HIS A 72 -7.968 -19.580 6.042 1.00 0.00 N ATOM 1095 CD2 HIS A 72 -9.007 -18.407 4.491 1.00 0.00 C ATOM 1096 CE1 HIS A 72 -8.404 -20.426 5.096 1.00 0.00 C ATOM 1097 NE2 HIS A 72 -9.041 -19.757 4.116 1.00 0.00 N ATOM 0 H HIS A 72 -9.177 -14.830 8.171 1.00 0.00 H new ATOM 0 HA HIS A 72 -10.112 -17.400 7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.094 -16.188 5.736 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.163 -17.055 6.942 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.444 -17.587 3.940 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -8.263 -21.497 5.118 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.461 -20.151 3.275 1.00 0.00 H new ATOM 1105 N ASN A 73 -9.635 -16.860 9.893 1.00 0.00 N ATOM 1106 CA ASN A 73 -9.511 -17.265 11.302 1.00 0.00 C ATOM 1107 C ASN A 73 -9.682 -18.779 11.535 1.00 0.00 C ATOM 1108 O ASN A 73 -10.510 -19.415 10.839 1.00 0.00 O ATOM 1109 CB ASN A 73 -10.498 -16.404 12.128 1.00 0.00 C ATOM 1110 CG ASN A 73 -11.971 -16.672 11.833 1.00 0.00 C ATOM 1111 OD1 ASN A 73 -12.477 -16.408 10.746 1.00 0.00 O ATOM 1112 ND2 ASN A 73 -12.687 -17.236 12.772 1.00 0.00 N ATOM 1113 OXT ASN A 73 -9.006 -19.311 12.446 1.00 0.00 O ATOM 0 H ASN A 73 -10.371 -16.169 9.751 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.490 -17.080 11.637 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.315 -16.580 13.188 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.288 -15.351 11.939 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -13.668 -17.457 12.602 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -12.264 -17.454 13.674 1.00 0.00 H new ATOM 1121 N MET B 74 -2.967 19.497 -20.558 1.00 0.00 N ATOM 1122 CA MET B 74 -2.484 19.052 -19.232 1.00 0.00 C ATOM 1123 C MET B 74 -1.008 18.667 -19.311 1.00 0.00 C ATOM 1124 O MET B 74 -0.605 18.119 -20.343 1.00 0.00 O ATOM 1125 CB MET B 74 -3.341 17.917 -18.647 1.00 0.00 C ATOM 1126 CG MET B 74 -3.170 16.567 -19.356 1.00 0.00 C ATOM 1127 SD MET B 74 -4.214 15.237 -18.713 1.00 0.00 S ATOM 1128 CE MET B 74 -5.825 15.714 -19.395 1.00 0.00 C ATOM 0 HA MET B 74 -2.584 19.890 -18.542 1.00 0.00 H new ATOM 0 HB2 MET B 74 -3.091 17.795 -17.593 1.00 0.00 H new ATOM 0 HB3 MET B 74 -4.390 18.209 -18.694 1.00 0.00 H new ATOM 0 HG2 MET B 74 -3.386 16.699 -20.416 1.00 0.00 H new ATOM 0 HG3 MET B 74 -2.127 16.261 -19.279 1.00 0.00 H new ATOM 0 HE1 MET B 74 -6.568 15.727 -18.598 1.00 0.00 H new ATOM 0 HE2 MET B 74 -5.752 16.707 -19.840 1.00 0.00 H new ATOM 0 HE3 MET B 74 -6.124 14.996 -20.158 1.00 0.00 H new ATOM 1140 N PRO B 75 -0.196 18.923 -18.269 1.00 0.00 N ATOM 1141 CA PRO B 75 1.236 18.639 -18.279 1.00 0.00 C ATOM 1142 C PRO B 75 1.552 17.165 -17.975 1.00 0.00 C ATOM 1143 O PRO B 75 0.684 16.396 -17.566 1.00 0.00 O ATOM 1144 CB PRO B 75 1.818 19.573 -17.218 1.00 0.00 C ATOM 1145 CG PRO B 75 0.704 19.626 -16.174 1.00 0.00 C ATOM 1146 CD PRO B 75 -0.565 19.602 -17.031 1.00 0.00 C ATOM 0 HA PRO B 75 1.669 18.807 -19.265 1.00 0.00 H new ATOM 0 HB2 PRO B 75 2.747 19.184 -16.801 1.00 0.00 H new ATOM 0 HB3 PRO B 75 2.040 20.560 -17.624 1.00 0.00 H new ATOM 0 HG2 PRO B 75 0.748 18.777 -15.492 1.00 0.00 H new ATOM 0 HG3 PRO B 75 0.763 20.528 -15.564 1.00 0.00 H new ATOM 0 HD2 PRO B 75 -1.371 19.075 -16.521 1.00 0.00 H new ATOM 0 HD3 PRO B 75 -0.921 20.613 -17.231 1.00 0.00 H new ATOM 1154 N LYS B 76 2.824 16.798 -18.163 1.00 0.00 N ATOM 1155 CA LYS B 76 3.402 15.477 -17.871 1.00 0.00 C ATOM 1156 C LYS B 76 4.567 15.574 -16.857 1.00 0.00 C ATOM 1157 O LYS B 76 5.300 16.571 -16.832 1.00 0.00 O ATOM 1158 CB LYS B 76 3.856 14.858 -19.210 1.00 0.00 C ATOM 1159 CG LYS B 76 4.082 13.346 -19.097 1.00 0.00 C ATOM 1160 CD LYS B 76 4.536 12.713 -20.412 1.00 0.00 C ATOM 1161 CE LYS B 76 4.632 11.196 -20.202 1.00 0.00 C ATOM 1162 NZ LYS B 76 5.219 10.525 -21.381 1.00 0.00 N ATOM 0 H LYS B 76 3.515 17.445 -18.542 1.00 0.00 H new ATOM 0 HA LYS B 76 2.654 14.838 -17.402 1.00 0.00 H new ATOM 0 HB2 LYS B 76 3.104 15.056 -19.974 1.00 0.00 H new ATOM 0 HB3 LYS B 76 4.778 15.339 -19.537 1.00 0.00 H new ATOM 0 HG2 LYS B 76 4.830 13.152 -18.329 1.00 0.00 H new ATOM 0 HG3 LYS B 76 3.158 12.869 -18.770 1.00 0.00 H new ATOM 0 HD2 LYS B 76 3.829 12.943 -21.209 1.00 0.00 H new ATOM 0 HD3 LYS B 76 5.502 13.117 -20.716 1.00 0.00 H new ATOM 0 HE2 LYS B 76 5.240 10.987 -19.322 1.00 0.00 H new ATOM 0 HE3 LYS B 76 3.639 10.790 -20.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 76 5.270 9.501 -21.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 76 4.625 10.706 -22.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 76 6.176 10.896 -21.551 1.00 0.00 H new ATOM 1176 N HIS B 77 4.770 14.547 -16.031 1.00 0.00 N ATOM 1177 CA HIS B 77 5.704 14.558 -14.891 1.00 0.00 C ATOM 1178 C HIS B 77 6.191 13.134 -14.509 1.00 0.00 C ATOM 1179 O HIS B 77 5.620 12.126 -14.944 1.00 0.00 O ATOM 1180 CB HIS B 77 5.069 15.327 -13.697 1.00 0.00 C ATOM 1181 CG HIS B 77 3.561 15.214 -13.568 1.00 0.00 C ATOM 1182 ND1 HIS B 77 2.641 16.215 -13.316 1.00 0.00 N ATOM 1183 CD2 HIS B 77 2.838 14.079 -13.796 1.00 0.00 C ATOM 1184 CE1 HIS B 77 1.410 15.681 -13.414 1.00 0.00 C ATOM 1185 NE2 HIS B 77 1.477 14.374 -13.712 1.00 0.00 N ATOM 0 H HIS B 77 4.279 13.659 -16.134 1.00 0.00 H new ATOM 0 HA HIS B 77 6.607 15.091 -15.189 1.00 0.00 H new ATOM 0 HB2 HIS B 77 5.522 14.966 -12.774 1.00 0.00 H new ATOM 0 HB3 HIS B 77 5.329 16.382 -13.788 1.00 0.00 H new ATOM 0 HD1 HIS B 77 2.857 17.187 -13.095 1.00 0.00 H new ATOM 0 HD2 HIS B 77 3.254 13.105 -14.008 1.00 0.00 H new ATOM 0 HE1 HIS B 77 0.491 16.230 -13.272 1.00 0.00 H new ATOM 1193 N GLU B 78 7.269 13.039 -13.719 1.00 0.00 N ATOM 1194 CA GLU B 78 7.959 11.783 -13.382 1.00 0.00 C ATOM 1195 C GLU B 78 8.179 11.644 -11.867 1.00 0.00 C ATOM 1196 O GLU B 78 8.563 12.604 -11.195 1.00 0.00 O ATOM 1197 CB GLU B 78 9.305 11.733 -14.132 1.00 0.00 C ATOM 1198 CG GLU B 78 10.067 10.414 -13.928 1.00 0.00 C ATOM 1199 CD GLU B 78 11.305 10.328 -14.819 1.00 0.00 C ATOM 1200 OE1 GLU B 78 11.162 10.346 -16.061 1.00 0.00 O ATOM 1201 OE2 GLU B 78 12.435 10.162 -14.309 1.00 0.00 O ATOM 0 H GLU B 78 7.698 13.856 -13.284 1.00 0.00 H new ATOM 0 HA GLU B 78 7.332 10.947 -13.691 1.00 0.00 H new ATOM 0 HB2 GLU B 78 9.125 11.879 -15.197 1.00 0.00 H new ATOM 0 HB3 GLU B 78 9.930 12.561 -13.798 1.00 0.00 H new ATOM 0 HG2 GLU B 78 10.365 10.324 -12.883 1.00 0.00 H new ATOM 0 HG3 GLU B 78 9.405 9.575 -14.144 1.00 0.00 H new ATOM 1208 N PHE B 79 7.975 10.427 -11.347 1.00 0.00 N ATOM 1209 CA PHE B 79 8.145 10.074 -9.936 1.00 0.00 C ATOM 1210 C PHE B 79 8.941 8.763 -9.797 1.00 0.00 C ATOM 1211 O PHE B 79 8.597 7.738 -10.396 1.00 0.00 O ATOM 1212 CB PHE B 79 6.759 9.956 -9.273 1.00 0.00 C ATOM 1213 CG PHE B 79 5.907 11.215 -9.335 1.00 0.00 C ATOM 1214 CD1 PHE B 79 5.072 11.450 -10.446 1.00 0.00 C ATOM 1215 CD2 PHE B 79 5.940 12.151 -8.282 1.00 0.00 C ATOM 1216 CE1 PHE B 79 4.285 12.616 -10.510 1.00 0.00 C ATOM 1217 CE2 PHE B 79 5.143 13.310 -8.339 1.00 0.00 C ATOM 1218 CZ PHE B 79 4.318 13.543 -9.454 1.00 0.00 C ATOM 0 H PHE B 79 7.677 9.636 -11.918 1.00 0.00 H new ATOM 0 HA PHE B 79 8.713 10.856 -9.432 1.00 0.00 H new ATOM 0 HB2 PHE B 79 6.213 9.142 -9.750 1.00 0.00 H new ATOM 0 HB3 PHE B 79 6.895 9.679 -8.228 1.00 0.00 H new ATOM 0 HD1 PHE B 79 5.036 10.732 -11.252 1.00 0.00 H new ATOM 0 HD2 PHE B 79 6.579 11.979 -7.428 1.00 0.00 H new ATOM 0 HE1 PHE B 79 3.657 12.798 -11.369 1.00 0.00 H new ATOM 0 HE2 PHE B 79 5.165 14.021 -7.526 1.00 0.00 H new ATOM 0 HZ PHE B 79 3.710 14.434 -9.499 1.00 0.00 H new ATOM 1228 N SER B 80 10.003 8.785 -8.994 1.00 0.00 N ATOM 1229 CA SER B 80 10.843 7.627 -8.657 1.00 0.00 C ATOM 1230 C SER B 80 10.528 7.116 -7.241 1.00 0.00 C ATOM 1231 O SER B 80 10.257 7.903 -6.331 1.00 0.00 O ATOM 1232 CB SER B 80 12.320 8.012 -8.780 1.00 0.00 C ATOM 1233 OG SER B 80 13.151 6.875 -8.636 1.00 0.00 O ATOM 0 H SER B 80 10.318 9.642 -8.540 1.00 0.00 H new ATOM 0 HA SER B 80 10.628 6.819 -9.356 1.00 0.00 H new ATOM 0 HB2 SER B 80 12.499 8.478 -9.749 1.00 0.00 H new ATOM 0 HB3 SER B 80 12.572 8.751 -8.019 1.00 0.00 H new ATOM 0 HG SER B 80 14.090 7.143 -8.720 1.00 0.00 H new ATOM 1239 N VAL B 81 10.536 5.799 -7.033 1.00 0.00 N ATOM 1240 CA VAL B 81 9.848 5.142 -5.906 1.00 0.00 C ATOM 1241 C VAL B 81 10.492 3.806 -5.517 1.00 0.00 C ATOM 1242 O VAL B 81 11.067 3.103 -6.347 1.00 0.00 O ATOM 1243 CB VAL B 81 8.341 4.916 -6.201 1.00 0.00 C ATOM 1244 CG1 VAL B 81 7.500 6.182 -5.977 1.00 0.00 C ATOM 1245 CG2 VAL B 81 8.076 4.379 -7.620 1.00 0.00 C ATOM 0 H VAL B 81 11.024 5.146 -7.646 1.00 0.00 H new ATOM 0 HA VAL B 81 9.949 5.828 -5.065 1.00 0.00 H new ATOM 0 HB VAL B 81 8.033 4.155 -5.484 1.00 0.00 H new ATOM 0 HG11 VAL B 81 6.454 5.968 -6.198 1.00 0.00 H new ATOM 0 HG12 VAL B 81 7.594 6.502 -4.939 1.00 0.00 H new ATOM 0 HG13 VAL B 81 7.855 6.975 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL B 81 7.004 4.242 -7.763 1.00 0.00 H new ATOM 0 HG22 VAL B 81 8.452 5.091 -8.355 1.00 0.00 H new ATOM 0 HG23 VAL B 81 8.584 3.423 -7.748 1.00 0.00 H new ATOM 1255 N ASP B 82 10.348 3.450 -4.238 1.00 0.00 N ATOM 1256 CA ASP B 82 10.867 2.237 -3.587 1.00 0.00 C ATOM 1257 C ASP B 82 10.049 0.962 -3.917 1.00 0.00 C ATOM 1258 O ASP B 82 9.756 0.141 -3.047 1.00 0.00 O ATOM 1259 CB ASP B 82 10.960 2.546 -2.079 1.00 0.00 C ATOM 1260 CG ASP B 82 11.699 1.506 -1.228 1.00 0.00 C ATOM 1261 OD1 ASP B 82 12.545 0.751 -1.766 1.00 0.00 O ATOM 1262 OD2 ASP B 82 11.439 1.492 0.001 1.00 0.00 O ATOM 0 H ASP B 82 9.832 4.038 -3.584 1.00 0.00 H new ATOM 0 HA ASP B 82 11.856 1.993 -3.976 1.00 0.00 H new ATOM 0 HB2 ASP B 82 11.457 3.508 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP B 82 9.949 2.656 -1.687 1.00 0.00 H new ATOM 1267 N MET B 83 9.633 0.808 -5.180 1.00 0.00 N ATOM 1268 CA MET B 83 8.891 -0.360 -5.679 1.00 0.00 C ATOM 1269 C MET B 83 9.862 -1.504 -5.996 1.00 0.00 C ATOM 1270 O MET B 83 10.614 -1.423 -6.971 1.00 0.00 O ATOM 1271 CB MET B 83 8.074 0.009 -6.932 1.00 0.00 C ATOM 1272 CG MET B 83 7.058 1.129 -6.694 1.00 0.00 C ATOM 1273 SD MET B 83 5.829 0.822 -5.398 1.00 0.00 S ATOM 1274 CE MET B 83 5.256 2.523 -5.180 1.00 0.00 C ATOM 0 H MET B 83 9.806 1.508 -5.902 1.00 0.00 H new ATOM 0 HA MET B 83 8.199 -0.688 -4.903 1.00 0.00 H new ATOM 0 HB2 MET B 83 8.758 0.313 -7.725 1.00 0.00 H new ATOM 0 HB3 MET B 83 7.548 -0.878 -7.287 1.00 0.00 H new ATOM 0 HG2 MET B 83 7.602 2.039 -6.443 1.00 0.00 H new ATOM 0 HG3 MET B 83 6.531 1.320 -7.629 1.00 0.00 H new ATOM 0 HE1 MET B 83 4.447 2.544 -4.450 1.00 0.00 H new ATOM 0 HE2 MET B 83 6.080 3.142 -4.825 1.00 0.00 H new ATOM 0 HE3 MET B 83 4.895 2.910 -6.133 1.00 0.00 H new ATOM 1284 N THR B 84 9.866 -2.558 -5.174 1.00 0.00 N ATOM 1285 CA THR B 84 10.834 -3.668 -5.258 1.00 0.00 C ATOM 1286 C THR B 84 10.385 -4.754 -6.237 1.00 0.00 C ATOM 1287 O THR B 84 11.168 -5.123 -7.114 1.00 0.00 O ATOM 1288 CB THR B 84 11.101 -4.221 -3.850 1.00 0.00 C ATOM 1289 OG1 THR B 84 11.473 -3.142 -3.020 1.00 0.00 O ATOM 1290 CG2 THR B 84 12.245 -5.234 -3.827 1.00 0.00 C ATOM 0 H THR B 84 9.189 -2.670 -4.419 1.00 0.00 H new ATOM 0 HA THR B 84 11.771 -3.284 -5.661 1.00 0.00 H new ATOM 0 HB THR B 84 10.194 -4.721 -3.511 1.00 0.00 H new ATOM 0 HG1 THR B 84 11.240 -3.349 -2.091 1.00 0.00 H new ATOM 0 HG21 THR B 84 12.392 -5.594 -2.809 1.00 0.00 H new ATOM 0 HG22 THR B 84 12.000 -6.074 -4.477 1.00 0.00 H new ATOM 0 HG23 THR B 84 13.160 -4.758 -4.179 1.00 0.00 H new ATOM 1298 N CYS B 85 9.145 -5.241 -6.110 1.00 0.00 N ATOM 1299 CA CYS B 85 8.543 -6.287 -6.938 1.00 0.00 C ATOM 1300 C CYS B 85 7.561 -5.749 -8.026 1.00 0.00 C ATOM 1301 O CYS B 85 7.453 -4.543 -8.267 1.00 0.00 O ATOM 1302 CB CYS B 85 7.910 -7.297 -5.952 1.00 0.00 C ATOM 1303 SG CYS B 85 6.408 -6.630 -5.170 1.00 0.00 S ATOM 0 H CYS B 85 8.506 -4.899 -5.393 1.00 0.00 H new ATOM 0 HA CYS B 85 9.300 -6.778 -7.549 1.00 0.00 H new ATOM 0 HB2 CYS B 85 7.665 -8.217 -6.482 1.00 0.00 H new ATOM 0 HB3 CYS B 85 8.636 -7.556 -5.182 1.00 0.00 H new ATOM 0 HG CYS B 85 6.190 -7.251 -4.049 1.00 0.00 H new ATOM 1308 N GLY B 86 6.819 -6.658 -8.676 1.00 0.00 N ATOM 1309 CA GLY B 86 5.723 -6.342 -9.610 1.00 0.00 C ATOM 1310 C GLY B 86 4.369 -6.129 -8.919 1.00 0.00 C ATOM 1311 O GLY B 86 3.485 -5.482 -9.484 1.00 0.00 O ATOM 0 H GLY B 86 6.967 -7.661 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY B 86 5.981 -5.443 -10.169 1.00 0.00 H new ATOM 0 HA3 GLY B 86 5.629 -7.152 -10.334 1.00 0.00 H new ATOM 1315 N GLY B 87 4.212 -6.627 -7.690 1.00 0.00 N ATOM 1316 CA GLY B 87 3.000 -6.541 -6.872 1.00 0.00 C ATOM 1317 C GLY B 87 2.763 -5.129 -6.352 1.00 0.00 C ATOM 1318 O GLY B 87 1.693 -4.556 -6.545 1.00 0.00 O ATOM 0 H GLY B 87 4.964 -7.126 -7.215 1.00 0.00 H new ATOM 0 HA2 GLY B 87 2.141 -6.859 -7.462 1.00 0.00 H new ATOM 0 HA3 GLY B 87 3.081 -7.229 -6.030 1.00 0.00 H new ATOM 1322 N CYS B 88 3.798 -4.511 -5.779 1.00 0.00 N ATOM 1323 CA CYS B 88 3.767 -3.090 -5.411 1.00 0.00 C ATOM 1324 C CYS B 88 3.570 -2.157 -6.631 1.00 0.00 C ATOM 1325 O CYS B 88 2.894 -1.131 -6.513 1.00 0.00 O ATOM 1326 CB CYS B 88 5.004 -2.761 -4.560 1.00 0.00 C ATOM 1327 SG CYS B 88 6.546 -3.088 -5.459 1.00 0.00 S ATOM 0 H CYS B 88 4.678 -4.977 -5.557 1.00 0.00 H new ATOM 0 HA CYS B 88 2.885 -2.899 -4.799 1.00 0.00 H new ATOM 0 HB2 CYS B 88 4.972 -1.713 -4.262 1.00 0.00 H new ATOM 0 HB3 CYS B 88 4.984 -3.353 -3.645 1.00 0.00 H new ATOM 0 HG CYS B 88 6.724 -4.372 -5.563 1.00 0.00 H new ATOM 1333 N ALA B 89 4.041 -2.552 -7.824 1.00 0.00 N ATOM 1334 CA ALA B 89 3.736 -1.854 -9.078 1.00 0.00 C ATOM 1335 C ALA B 89 2.228 -1.887 -9.414 1.00 0.00 C ATOM 1336 O ALA B 89 1.653 -0.838 -9.707 1.00 0.00 O ATOM 1337 CB ALA B 89 4.621 -2.395 -10.211 1.00 0.00 C ATOM 0 H ALA B 89 4.645 -3.365 -7.944 1.00 0.00 H new ATOM 0 HA ALA B 89 3.975 -0.798 -8.953 1.00 0.00 H new ATOM 0 HB1 ALA B 89 4.387 -1.871 -11.137 1.00 0.00 H new ATOM 0 HB2 ALA B 89 5.670 -2.238 -9.960 1.00 0.00 H new ATOM 0 HB3 ALA B 89 4.435 -3.461 -10.341 1.00 0.00 H new ATOM 1343 N GLU B 90 1.550 -3.036 -9.266 1.00 0.00 N ATOM 1344 CA GLU B 90 0.080 -3.071 -9.352 1.00 0.00 C ATOM 1345 C GLU B 90 -0.564 -2.191 -8.273 1.00 0.00 C ATOM 1346 O GLU B 90 -1.486 -1.437 -8.585 1.00 0.00 O ATOM 1347 CB GLU B 90 -0.504 -4.490 -9.266 1.00 0.00 C ATOM 1348 CG GLU B 90 -0.170 -5.343 -10.492 1.00 0.00 C ATOM 1349 CD GLU B 90 -1.187 -6.463 -10.698 1.00 0.00 C ATOM 1350 OE1 GLU B 90 -2.341 -6.169 -11.092 1.00 0.00 O ATOM 1351 OE2 GLU B 90 -0.841 -7.656 -10.527 1.00 0.00 O ATOM 0 H GLU B 90 1.987 -3.940 -9.089 1.00 0.00 H new ATOM 0 HA GLU B 90 -0.159 -2.677 -10.340 1.00 0.00 H new ATOM 0 HB2 GLU B 90 -0.122 -4.982 -8.372 1.00 0.00 H new ATOM 0 HB3 GLU B 90 -1.587 -4.427 -9.157 1.00 0.00 H new ATOM 0 HG2 GLU B 90 -0.142 -4.710 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU B 90 0.825 -5.772 -10.376 1.00 0.00 H new ATOM 1358 N ALA B 91 -0.059 -2.207 -7.034 1.00 0.00 N ATOM 1359 CA ALA B 91 -0.590 -1.377 -5.951 1.00 0.00 C ATOM 1360 C ALA B 91 -0.500 0.130 -6.249 1.00 0.00 C ATOM 1361 O ALA B 91 -1.497 0.836 -6.081 1.00 0.00 O ATOM 1362 CB ALA B 91 0.104 -1.748 -4.636 1.00 0.00 C ATOM 0 H ALA B 91 0.727 -2.795 -6.756 1.00 0.00 H new ATOM 0 HA ALA B 91 -1.656 -1.585 -5.859 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -0.291 -1.130 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -0.079 -2.799 -4.412 1.00 0.00 H new ATOM 0 HB3 ALA B 91 1.177 -1.579 -4.730 1.00 0.00 H new ATOM 1368 N VAL B 92 0.641 0.631 -6.736 1.00 0.00 N ATOM 1369 CA VAL B 92 0.766 2.052 -7.123 1.00 0.00 C ATOM 1370 C VAL B 92 -0.036 2.393 -8.395 1.00 0.00 C ATOM 1371 O VAL B 92 -0.496 3.521 -8.544 1.00 0.00 O ATOM 1372 CB VAL B 92 2.236 2.522 -7.197 1.00 0.00 C ATOM 1373 CG1 VAL B 92 2.992 2.025 -8.434 1.00 0.00 C ATOM 1374 CG2 VAL B 92 2.344 4.053 -7.117 1.00 0.00 C ATOM 0 H VAL B 92 1.490 0.082 -6.873 1.00 0.00 H new ATOM 0 HA VAL B 92 0.309 2.627 -6.318 1.00 0.00 H new ATOM 0 HB VAL B 92 2.713 2.070 -6.327 1.00 0.00 H new ATOM 0 HG11 VAL B 92 4.016 2.399 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL B 92 3.004 0.935 -8.440 1.00 0.00 H new ATOM 0 HG13 VAL B 92 2.495 2.387 -9.334 1.00 0.00 H new ATOM 0 HG21 VAL B 92 3.392 4.347 -7.172 1.00 0.00 H new ATOM 0 HG22 VAL B 92 1.797 4.500 -7.947 1.00 0.00 H new ATOM 0 HG23 VAL B 92 1.919 4.399 -6.175 1.00 0.00 H new ATOM 1384 N SER B 93 -0.314 1.423 -9.271 1.00 0.00 N ATOM 1385 CA SER B 93 -1.324 1.611 -10.327 1.00 0.00 C ATOM 1386 C SER B 93 -2.729 1.816 -9.717 1.00 0.00 C ATOM 1387 O SER B 93 -3.428 2.783 -10.028 1.00 0.00 O ATOM 1388 CB SER B 93 -1.257 0.438 -11.325 1.00 0.00 C ATOM 1389 OG SER B 93 -2.110 -0.654 -11.013 1.00 0.00 O ATOM 0 H SER B 93 0.138 0.509 -9.274 1.00 0.00 H new ATOM 0 HA SER B 93 -1.107 2.521 -10.886 1.00 0.00 H new ATOM 0 HB2 SER B 93 -1.511 0.808 -12.318 1.00 0.00 H new ATOM 0 HB3 SER B 93 -0.230 0.077 -11.373 1.00 0.00 H new ATOM 0 HG SER B 93 -1.761 -1.128 -10.230 1.00 0.00 H new ATOM 1395 N ARG B 94 -3.098 0.964 -8.752 1.00 0.00 N ATOM 1396 CA ARG B 94 -4.396 0.966 -8.073 1.00 0.00 C ATOM 1397 C ARG B 94 -4.582 2.180 -7.158 1.00 0.00 C ATOM 1398 O ARG B 94 -5.710 2.657 -7.027 1.00 0.00 O ATOM 1399 CB ARG B 94 -4.553 -0.346 -7.290 1.00 0.00 C ATOM 1400 CG ARG B 94 -4.777 -1.556 -8.216 1.00 0.00 C ATOM 1401 CD ARG B 94 -4.508 -2.890 -7.509 1.00 0.00 C ATOM 1402 NE ARG B 94 -5.391 -3.081 -6.348 1.00 0.00 N ATOM 1403 CZ ARG B 94 -5.714 -4.231 -5.776 1.00 0.00 C ATOM 1404 NH1 ARG B 94 -5.199 -5.380 -6.144 1.00 0.00 N ATOM 1405 NH2 ARG B 94 -6.580 -4.208 -4.793 1.00 0.00 N ATOM 0 H ARG B 94 -2.478 0.229 -8.412 1.00 0.00 H new ATOM 0 HA ARG B 94 -5.176 1.040 -8.831 1.00 0.00 H new ATOM 0 HB2 ARG B 94 -3.662 -0.514 -6.685 1.00 0.00 H new ATOM 0 HB3 ARG B 94 -5.394 -0.257 -6.602 1.00 0.00 H new ATOM 0 HG2 ARG B 94 -5.803 -1.543 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG B 94 -4.125 -1.471 -9.085 1.00 0.00 H new ATOM 0 HD2 ARG B 94 -4.651 -3.710 -8.213 1.00 0.00 H new ATOM 0 HD3 ARG B 94 -3.468 -2.926 -7.185 1.00 0.00 H new ATOM 0 HE ARG B 94 -5.797 -2.239 -5.941 1.00 0.00 H new ATOM 0 HH11 ARG B 94 -4.517 -5.414 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG B 94 -5.480 -6.239 -5.672 1.00 0.00 H new ATOM 0 HH21 ARG B 94 -6.984 -3.322 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG B 94 -6.850 -5.076 -4.331 1.00 0.00 H new ATOM 1419 N VAL B 95 -3.514 2.716 -6.556 1.00 0.00 N ATOM 1420 CA VAL B 95 -3.589 3.952 -5.755 1.00 0.00 C ATOM 1421 C VAL B 95 -3.893 5.183 -6.626 1.00 0.00 C ATOM 1422 O VAL B 95 -4.678 6.031 -6.210 1.00 0.00 O ATOM 1423 CB VAL B 95 -2.343 4.161 -4.851 1.00 0.00 C ATOM 1424 CG1 VAL B 95 -1.241 5.031 -5.480 1.00 0.00 C ATOM 1425 CG2 VAL B 95 -2.775 4.756 -3.502 1.00 0.00 C ATOM 0 H VAL B 95 -2.579 2.312 -6.607 1.00 0.00 H new ATOM 0 HA VAL B 95 -4.433 3.828 -5.076 1.00 0.00 H new ATOM 0 HB VAL B 95 -1.900 3.174 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL B 95 -0.409 5.125 -4.782 1.00 0.00 H new ATOM 0 HG12 VAL B 95 -0.891 4.565 -6.401 1.00 0.00 H new ATOM 0 HG13 VAL B 95 -1.641 6.020 -5.703 1.00 0.00 H new ATOM 0 HG21 VAL B 95 -1.898 4.901 -2.871 1.00 0.00 H new ATOM 0 HG22 VAL B 95 -3.266 5.715 -3.668 1.00 0.00 H new ATOM 0 HG23 VAL B 95 -3.468 4.074 -3.009 1.00 0.00 H new ATOM 1435 N LEU B 96 -3.348 5.271 -7.851 1.00 0.00 N ATOM 1436 CA LEU B 96 -3.676 6.347 -8.797 1.00 0.00 C ATOM 1437 C LEU B 96 -5.113 6.220 -9.314 1.00 0.00 C ATOM 1438 O LEU B 96 -5.811 7.224 -9.452 1.00 0.00 O ATOM 1439 CB LEU B 96 -2.670 6.341 -9.965 1.00 0.00 C ATOM 1440 CG LEU B 96 -1.245 6.799 -9.590 1.00 0.00 C ATOM 1441 CD1 LEU B 96 -0.320 6.588 -10.797 1.00 0.00 C ATOM 1442 CD2 LEU B 96 -1.206 8.276 -9.160 1.00 0.00 C ATOM 0 H LEU B 96 -2.670 4.600 -8.211 1.00 0.00 H new ATOM 0 HA LEU B 96 -3.604 7.299 -8.272 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -2.617 5.333 -10.376 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -3.049 6.988 -10.756 1.00 0.00 H new ATOM 0 HG LEU B 96 -0.910 6.204 -8.741 1.00 0.00 H new ATOM 0 HD11 LEU B 96 0.690 6.909 -10.542 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -0.308 5.532 -11.066 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -0.684 7.173 -11.641 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -0.183 8.554 -8.905 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -1.559 8.903 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -1.848 8.419 -8.291 1.00 0.00 H new ATOM 1454 N ASN B 97 -5.597 4.992 -9.507 1.00 0.00 N ATOM 1455 CA ASN B 97 -6.988 4.722 -9.874 1.00 0.00 C ATOM 1456 C ASN B 97 -8.024 5.223 -8.835 1.00 0.00 C ATOM 1457 O ASN B 97 -9.191 5.411 -9.179 1.00 0.00 O ATOM 1458 CB ASN B 97 -7.124 3.224 -10.179 1.00 0.00 C ATOM 1459 CG ASN B 97 -8.511 2.898 -10.704 1.00 0.00 C ATOM 1460 OD1 ASN B 97 -8.888 3.332 -11.788 1.00 0.00 O ATOM 1461 ND2 ASN B 97 -9.320 2.194 -9.936 1.00 0.00 N ATOM 0 H ASN B 97 -5.030 4.150 -9.412 1.00 0.00 H new ATOM 0 HA ASN B 97 -7.227 5.301 -10.766 1.00 0.00 H new ATOM 0 HB2 ASN B 97 -6.375 2.930 -10.914 1.00 0.00 H new ATOM 0 HB3 ASN B 97 -6.928 2.646 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN B 97 -10.275 2.003 -10.241 1.00 0.00 H new ATOM 0 HD22 ASN B 97 -8.991 1.840 -9.038 1.00 0.00 H new ATOM 1468 N LYS B 98 -7.621 5.532 -7.592 1.00 0.00 N ATOM 1469 CA LYS B 98 -8.479 6.208 -6.597 1.00 0.00 C ATOM 1470 C LYS B 98 -8.863 7.642 -7.012 1.00 0.00 C ATOM 1471 O LYS B 98 -9.976 8.096 -6.728 1.00 0.00 O ATOM 1472 CB LYS B 98 -7.787 6.234 -5.231 1.00 0.00 C ATOM 1473 CG LYS B 98 -7.448 4.826 -4.726 1.00 0.00 C ATOM 1474 CD LYS B 98 -6.816 4.927 -3.342 1.00 0.00 C ATOM 1475 CE LYS B 98 -6.475 3.533 -2.816 1.00 0.00 C ATOM 1476 NZ LYS B 98 -5.795 3.608 -1.509 1.00 0.00 N ATOM 0 H LYS B 98 -6.686 5.320 -7.244 1.00 0.00 H new ATOM 0 HA LYS B 98 -9.402 5.631 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS B 98 -6.873 6.823 -5.300 1.00 0.00 H new ATOM 0 HB3 LYS B 98 -8.433 6.732 -4.508 1.00 0.00 H new ATOM 0 HG2 LYS B 98 -8.350 4.215 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS B 98 -6.763 4.334 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS B 98 -5.914 5.537 -3.390 1.00 0.00 H new ATOM 0 HD3 LYS B 98 -7.502 5.425 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS B 98 -7.387 2.944 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS B 98 -5.836 3.017 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 -4.860 3.157 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 -5.679 4.604 -1.234 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 -6.365 3.115 -0.792 1.00 0.00 H new ATOM 1490 N LEU B 99 -7.961 8.356 -7.700 1.00 0.00 N ATOM 1491 CA LEU B 99 -8.288 9.568 -8.463 1.00 0.00 C ATOM 1492 C LEU B 99 -9.043 9.183 -9.741 1.00 0.00 C ATOM 1493 O LEU B 99 -10.147 9.670 -9.969 1.00 0.00 O ATOM 1494 CB LEU B 99 -7.009 10.373 -8.775 1.00 0.00 C ATOM 1495 CG LEU B 99 -6.255 10.910 -7.540 1.00 0.00 C ATOM 1496 CD1 LEU B 99 -4.915 11.514 -7.985 1.00 0.00 C ATOM 1497 CD2 LEU B 99 -7.068 11.967 -6.777 1.00 0.00 C ATOM 0 H LEU B 99 -6.973 8.105 -7.743 1.00 0.00 H new ATOM 0 HA LEU B 99 -8.935 10.210 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -6.331 9.741 -9.348 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -7.275 11.215 -9.413 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.089 10.072 -6.862 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.380 11.894 -7.115 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.314 10.747 -8.473 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -5.098 12.331 -8.683 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -6.496 12.315 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -7.280 12.809 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -8.006 11.528 -6.436 1.00 0.00 H new ATOM 1509 N GLY B 100 -8.466 8.287 -10.552 1.00 0.00 N ATOM 1510 CA GLY B 100 -9.078 7.728 -11.768 1.00 0.00 C ATOM 1511 C GLY B 100 -8.885 8.603 -13.009 1.00 0.00 C ATOM 1512 O GLY B 100 -8.594 8.088 -14.089 1.00 0.00 O ATOM 0 H GLY B 100 -7.531 7.919 -10.376 1.00 0.00 H new ATOM 0 HA2 GLY B 100 -8.653 6.743 -11.959 1.00 0.00 H new ATOM 0 HA3 GLY B 100 -10.145 7.587 -11.596 1.00 0.00 H new ATOM 1516 N GLY B 101 -8.946 9.930 -12.858 1.00 0.00 N ATOM 1517 CA GLY B 101 -8.684 10.922 -13.913 1.00 0.00 C ATOM 1518 C GLY B 101 -7.196 11.066 -14.234 1.00 0.00 C ATOM 1519 O GLY B 101 -6.633 12.154 -14.117 1.00 0.00 O ATOM 0 H GLY B 101 -9.188 10.361 -11.966 1.00 0.00 H new ATOM 0 HA2 GLY B 101 -9.220 10.634 -14.817 1.00 0.00 H new ATOM 0 HA3 GLY B 101 -9.079 11.889 -13.602 1.00 0.00 H new ATOM 1523 N VAL B 102 -6.542 9.962 -14.590 1.00 0.00 N ATOM 1524 CA VAL B 102 -5.079 9.842 -14.696 1.00 0.00 C ATOM 1525 C VAL B 102 -4.702 8.976 -15.906 1.00 0.00 C ATOM 1526 O VAL B 102 -5.375 7.986 -16.202 1.00 0.00 O ATOM 1527 CB VAL B 102 -4.466 9.219 -13.410 1.00 0.00 C ATOM 1528 CG1 VAL B 102 -2.939 9.379 -13.351 1.00 0.00 C ATOM 1529 CG2 VAL B 102 -5.032 9.811 -12.103 1.00 0.00 C ATOM 0 H VAL B 102 -7.027 9.095 -14.821 1.00 0.00 H new ATOM 0 HA VAL B 102 -4.676 10.847 -14.822 1.00 0.00 H new ATOM 0 HB VAL B 102 -4.741 8.167 -13.480 1.00 0.00 H new ATOM 0 HG11 VAL B 102 -2.561 8.927 -12.434 1.00 0.00 H new ATOM 0 HG12 VAL B 102 -2.488 8.885 -14.212 1.00 0.00 H new ATOM 0 HG13 VAL B 102 -2.683 10.438 -13.366 1.00 0.00 H new ATOM 0 HG21 VAL B 102 -4.557 9.328 -11.249 1.00 0.00 H new ATOM 0 HG22 VAL B 102 -4.831 10.882 -12.072 1.00 0.00 H new ATOM 0 HG23 VAL B 102 -6.108 9.642 -12.063 1.00 0.00 H new ATOM 1539 N LYS B 103 -3.600 9.341 -16.561 1.00 0.00 N ATOM 1540 CA LYS B 103 -2.815 8.507 -17.482 1.00 0.00 C ATOM 1541 C LYS B 103 -1.429 8.252 -16.880 1.00 0.00 C ATOM 1542 O LYS B 103 -0.805 9.175 -16.351 1.00 0.00 O ATOM 1543 CB LYS B 103 -2.634 9.235 -18.825 1.00 0.00 C ATOM 1544 CG LYS B 103 -3.818 9.028 -19.776 1.00 0.00 C ATOM 1545 CD LYS B 103 -3.519 9.520 -21.200 1.00 0.00 C ATOM 1546 CE LYS B 103 -2.928 10.934 -21.221 1.00 0.00 C ATOM 1547 NZ LYS B 103 -2.759 11.427 -22.602 1.00 0.00 N ATOM 0 H LYS B 103 -3.206 10.277 -16.460 1.00 0.00 H new ATOM 0 HA LYS B 103 -3.341 7.565 -17.640 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -2.504 10.301 -18.641 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -1.722 8.881 -19.305 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -4.075 7.969 -19.807 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -4.689 9.556 -19.388 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -2.823 8.832 -21.680 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -4.438 9.505 -21.786 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -3.580 11.611 -20.669 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -1.964 10.935 -20.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -1.853 11.931 -22.682 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -2.767 10.623 -23.261 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -3.538 12.075 -22.837 1.00 0.00 H new ATOM 1561 N TYR B 104 -0.915 7.029 -16.991 1.00 0.00 N ATOM 1562 CA TYR B 104 0.421 6.686 -16.494 1.00 0.00 C ATOM 1563 C TYR B 104 1.046 5.479 -17.207 1.00 0.00 C ATOM 1564 O TYR B 104 0.352 4.689 -17.849 1.00 0.00 O ATOM 1565 CB TYR B 104 0.384 6.472 -14.966 1.00 0.00 C ATOM 1566 CG TYR B 104 -0.495 5.318 -14.524 1.00 0.00 C ATOM 1567 CD1 TYR B 104 -0.006 3.997 -14.563 1.00 0.00 C ATOM 1568 CD2 TYR B 104 -1.824 5.563 -14.131 1.00 0.00 C ATOM 1569 CE1 TYR B 104 -0.860 2.917 -14.274 1.00 0.00 C ATOM 1570 CE2 TYR B 104 -2.681 4.490 -13.826 1.00 0.00 C ATOM 1571 CZ TYR B 104 -2.210 3.164 -13.928 1.00 0.00 C ATOM 1572 OH TYR B 104 -3.066 2.129 -13.721 1.00 0.00 O ATOM 0 H TYR B 104 -1.408 6.249 -17.426 1.00 0.00 H new ATOM 0 HA TYR B 104 1.068 7.533 -16.723 1.00 0.00 H new ATOM 0 HB2 TYR B 104 1.399 6.299 -14.609 1.00 0.00 H new ATOM 0 HB3 TYR B 104 0.031 7.387 -14.490 1.00 0.00 H new ATOM 0 HD1 TYR B 104 1.028 3.813 -14.816 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -2.187 6.578 -14.063 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -0.487 1.904 -14.316 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -3.697 4.681 -13.514 1.00 0.00 H new ATOM 0 HH TYR B 104 -3.952 2.478 -13.491 1.00 0.00 H new ATOM 1582 N ASP B 105 2.358 5.312 -17.041 1.00 0.00 N ATOM 1583 CA ASP B 105 3.100 4.129 -17.468 1.00 0.00 C ATOM 1584 C ASP B 105 4.273 3.844 -16.515 1.00 0.00 C ATOM 1585 O ASP B 105 5.026 4.756 -16.164 1.00 0.00 O ATOM 1586 CB ASP B 105 3.581 4.315 -18.915 1.00 0.00 C ATOM 1587 CG ASP B 105 4.082 2.996 -19.495 1.00 0.00 C ATOM 1588 OD1 ASP B 105 3.218 2.159 -19.851 1.00 0.00 O ATOM 1589 OD2 ASP B 105 5.318 2.805 -19.569 1.00 0.00 O ATOM 0 H ASP B 105 2.948 6.014 -16.594 1.00 0.00 H new ATOM 0 HA ASP B 105 2.440 3.262 -17.433 1.00 0.00 H new ATOM 0 HB2 ASP B 105 2.765 4.700 -19.527 1.00 0.00 H new ATOM 0 HB3 ASP B 105 4.379 5.057 -18.945 1.00 0.00 H new ATOM 1594 N ILE B 106 4.439 2.585 -16.102 1.00 0.00 N ATOM 1595 CA ILE B 106 5.501 2.158 -15.172 1.00 0.00 C ATOM 1596 C ILE B 106 6.635 1.511 -15.978 1.00 0.00 C ATOM 1597 O ILE B 106 6.394 0.614 -16.788 1.00 0.00 O ATOM 1598 CB ILE B 106 4.939 1.210 -14.078 1.00 0.00 C ATOM 1599 CG1 ILE B 106 3.695 1.823 -13.384 1.00 0.00 C ATOM 1600 CG2 ILE B 106 6.036 0.893 -13.037 1.00 0.00 C ATOM 1601 CD1 ILE B 106 3.066 0.955 -12.284 1.00 0.00 C ATOM 0 H ILE B 106 3.835 1.820 -16.404 1.00 0.00 H new ATOM 0 HA ILE B 106 5.901 3.024 -14.645 1.00 0.00 H new ATOM 0 HB ILE B 106 4.627 0.284 -14.560 1.00 0.00 H new ATOM 0 HG12 ILE B 106 3.977 2.783 -12.951 1.00 0.00 H new ATOM 0 HG13 ILE B 106 2.938 2.025 -14.142 1.00 0.00 H new ATOM 0 HG21 ILE B 106 5.632 0.228 -12.274 1.00 0.00 H new ATOM 0 HG22 ILE B 106 6.878 0.409 -13.532 1.00 0.00 H new ATOM 0 HG23 ILE B 106 6.373 1.819 -12.570 1.00 0.00 H new ATOM 0 HD11 ILE B 106 2.204 1.471 -11.861 1.00 0.00 H new ATOM 0 HD12 ILE B 106 2.746 0.004 -12.709 1.00 0.00 H new ATOM 0 HD13 ILE B 106 3.801 0.773 -11.499 1.00 0.00 H new ATOM 1613 N ASP B 107 7.874 1.962 -15.778 1.00 0.00 N ATOM 1614 CA ASP B 107 9.031 1.447 -16.521 1.00 0.00 C ATOM 1615 C ASP B 107 9.523 0.129 -15.897 1.00 0.00 C ATOM 1616 O ASP B 107 9.955 0.128 -14.751 1.00 0.00 O ATOM 1617 CB ASP B 107 10.136 2.521 -16.575 1.00 0.00 C ATOM 1618 CG ASP B 107 11.163 2.259 -17.682 1.00 0.00 C ATOM 1619 OD1 ASP B 107 10.727 1.975 -18.826 1.00 0.00 O ATOM 1620 OD2 ASP B 107 12.385 2.371 -17.420 1.00 0.00 O ATOM 0 H ASP B 107 8.106 2.690 -15.102 1.00 0.00 H new ATOM 0 HA ASP B 107 8.740 1.223 -17.547 1.00 0.00 H new ATOM 0 HB2 ASP B 107 9.680 3.498 -16.733 1.00 0.00 H new ATOM 0 HB3 ASP B 107 10.647 2.559 -15.613 1.00 0.00 H new ATOM 1625 N LEU B 108 9.466 -0.998 -16.616 1.00 0.00 N ATOM 1626 CA LEU B 108 9.683 -2.350 -16.065 1.00 0.00 C ATOM 1627 C LEU B 108 10.962 -2.523 -15.205 1.00 0.00 C ATOM 1628 O LEU B 108 10.828 -3.016 -14.075 1.00 0.00 O ATOM 1629 CB LEU B 108 9.618 -3.392 -17.209 1.00 0.00 C ATOM 1630 CG LEU B 108 8.229 -3.981 -17.546 1.00 0.00 C ATOM 1631 CD1 LEU B 108 7.730 -4.912 -16.430 1.00 0.00 C ATOM 1632 CD2 LEU B 108 7.174 -2.910 -17.857 1.00 0.00 C ATOM 0 H LEU B 108 9.264 -1.001 -17.616 1.00 0.00 H new ATOM 0 HA LEU B 108 8.873 -2.518 -15.355 1.00 0.00 H new ATOM 0 HB2 LEU B 108 10.017 -2.929 -18.111 1.00 0.00 H new ATOM 0 HB3 LEU B 108 10.283 -4.217 -16.953 1.00 0.00 H new ATOM 0 HG LEU B 108 8.368 -4.562 -18.458 1.00 0.00 H new ATOM 0 HD11 LEU B 108 6.751 -5.309 -16.698 1.00 0.00 H new ATOM 0 HD12 LEU B 108 8.433 -5.735 -16.301 1.00 0.00 H new ATOM 0 HD13 LEU B 108 7.652 -4.353 -15.498 1.00 0.00 H new ATOM 0 HD21 LEU B 108 6.223 -3.391 -18.085 1.00 0.00 H new ATOM 0 HD22 LEU B 108 7.052 -2.257 -16.993 1.00 0.00 H new ATOM 0 HD23 LEU B 108 7.497 -2.320 -18.715 1.00 0.00 H new ATOM 1644 N PRO B 109 12.174 -2.140 -15.669 1.00 0.00 N ATOM 1645 CA PRO B 109 13.416 -2.397 -14.937 1.00 0.00 C ATOM 1646 C PRO B 109 13.736 -1.338 -13.868 1.00 0.00 C ATOM 1647 O PRO B 109 14.467 -1.638 -12.926 1.00 0.00 O ATOM 1648 CB PRO B 109 14.502 -2.429 -16.016 1.00 0.00 C ATOM 1649 CG PRO B 109 13.998 -1.425 -17.049 1.00 0.00 C ATOM 1650 CD PRO B 109 12.483 -1.619 -17.000 1.00 0.00 C ATOM 0 HA PRO B 109 13.340 -3.327 -14.374 1.00 0.00 H new ATOM 0 HB2 PRO B 109 15.475 -2.142 -15.617 1.00 0.00 H new ATOM 0 HB3 PRO B 109 14.615 -3.425 -16.444 1.00 0.00 H new ATOM 0 HG2 PRO B 109 14.283 -0.404 -16.794 1.00 0.00 H new ATOM 0 HG3 PRO B 109 14.400 -1.630 -18.041 1.00 0.00 H new ATOM 0 HD2 PRO B 109 11.965 -0.676 -17.177 1.00 0.00 H new ATOM 0 HD3 PRO B 109 12.156 -2.313 -17.774 1.00 0.00 H new ATOM 1658 N ASN B 110 13.213 -0.112 -14.003 1.00 0.00 N ATOM 1659 CA ASN B 110 13.486 1.022 -13.104 1.00 0.00 C ATOM 1660 C ASN B 110 12.372 1.218 -12.048 1.00 0.00 C ATOM 1661 O ASN B 110 12.601 1.713 -10.944 1.00 0.00 O ATOM 1662 CB ASN B 110 13.631 2.268 -13.999 1.00 0.00 C ATOM 1663 CG ASN B 110 14.274 3.462 -13.298 1.00 0.00 C ATOM 1664 OD1 ASN B 110 13.761 4.010 -12.329 1.00 0.00 O ATOM 1665 ND2 ASN B 110 15.414 3.912 -13.778 1.00 0.00 N ATOM 0 H ASN B 110 12.572 0.127 -14.759 1.00 0.00 H new ATOM 0 HA ASN B 110 14.396 0.837 -12.533 1.00 0.00 H new ATOM 0 HB2 ASN B 110 14.228 2.008 -14.873 1.00 0.00 H new ATOM 0 HB3 ASN B 110 12.645 2.560 -14.361 1.00 0.00 H new ATOM 0 HD21 ASN B 110 15.869 4.715 -13.344 1.00 0.00 H new ATOM 0 HD22 ASN B 110 15.843 3.458 -14.584 1.00 0.00 H new ATOM 1672 N LYS B 111 11.142 0.850 -12.412 1.00 0.00 N ATOM 1673 CA LYS B 111 9.878 0.963 -11.668 1.00 0.00 C ATOM 1674 C LYS B 111 9.491 2.396 -11.255 1.00 0.00 C ATOM 1675 O LYS B 111 8.611 2.588 -10.418 1.00 0.00 O ATOM 1676 CB LYS B 111 9.803 -0.090 -10.547 1.00 0.00 C ATOM 1677 CG LYS B 111 9.843 -1.507 -11.143 1.00 0.00 C ATOM 1678 CD LYS B 111 9.633 -2.584 -10.074 1.00 0.00 C ATOM 1679 CE LYS B 111 9.578 -3.999 -10.671 1.00 0.00 C ATOM 1680 NZ LYS B 111 10.783 -4.339 -11.467 1.00 0.00 N ATOM 0 H LYS B 111 10.987 0.423 -13.325 1.00 0.00 H new ATOM 0 HA LYS B 111 9.079 0.721 -12.369 1.00 0.00 H new ATOM 0 HB2 LYS B 111 10.635 0.045 -9.856 1.00 0.00 H new ATOM 0 HB3 LYS B 111 8.886 0.045 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS B 111 9.073 -1.600 -11.908 1.00 0.00 H new ATOM 0 HG3 LYS B 111 10.802 -1.667 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS B 111 10.442 -2.531 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS B 111 8.706 -2.383 -9.537 1.00 0.00 H new ATOM 0 HE2 LYS B 111 9.466 -4.724 -9.865 1.00 0.00 H new ATOM 0 HE3 LYS B 111 8.695 -4.087 -11.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 10.814 -5.366 -11.629 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 10.746 -3.845 -12.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 11.636 -4.045 -10.949 1.00 0.00 H new ATOM 1694 N LYS B 112 10.091 3.411 -11.889 1.00 0.00 N ATOM 1695 CA LYS B 112 9.573 4.781 -11.842 1.00 0.00 C ATOM 1696 C LYS B 112 8.180 4.864 -12.497 1.00 0.00 C ATOM 1697 O LYS B 112 7.875 4.078 -13.399 1.00 0.00 O ATOM 1698 CB LYS B 112 10.589 5.758 -12.463 1.00 0.00 C ATOM 1699 CG LYS B 112 10.737 5.660 -13.994 1.00 0.00 C ATOM 1700 CD LYS B 112 11.778 6.676 -14.481 1.00 0.00 C ATOM 1701 CE LYS B 112 11.782 6.836 -16.005 1.00 0.00 C ATOM 1702 NZ LYS B 112 12.694 7.921 -16.450 1.00 0.00 N ATOM 0 H LYS B 112 10.941 3.306 -12.443 1.00 0.00 H new ATOM 0 HA LYS B 112 9.441 5.079 -10.802 1.00 0.00 H new ATOM 0 HB2 LYS B 112 10.295 6.776 -12.206 1.00 0.00 H new ATOM 0 HB3 LYS B 112 11.564 5.583 -12.007 1.00 0.00 H new ATOM 0 HG2 LYS B 112 11.040 4.652 -14.276 1.00 0.00 H new ATOM 0 HG3 LYS B 112 9.777 5.850 -14.474 1.00 0.00 H new ATOM 0 HD2 LYS B 112 11.579 7.643 -14.019 1.00 0.00 H new ATOM 0 HD3 LYS B 112 12.768 6.362 -14.150 1.00 0.00 H new ATOM 0 HE2 LYS B 112 12.085 5.896 -16.467 1.00 0.00 H new ATOM 0 HE3 LYS B 112 10.770 7.049 -16.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 13.170 7.636 -17.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 12.145 8.788 -16.619 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 13.406 8.100 -15.714 1.00 0.00 H new ATOM 1716 N VAL B 113 7.357 5.816 -12.056 1.00 0.00 N ATOM 1717 CA VAL B 113 5.988 6.019 -12.546 1.00 0.00 C ATOM 1718 C VAL B 113 5.939 7.342 -13.314 1.00 0.00 C ATOM 1719 O VAL B 113 6.238 8.402 -12.764 1.00 0.00 O ATOM 1720 CB VAL B 113 4.945 6.004 -11.402 1.00 0.00 C ATOM 1721 CG1 VAL B 113 3.521 5.977 -11.981 1.00 0.00 C ATOM 1722 CG2 VAL B 113 5.115 4.785 -10.475 1.00 0.00 C ATOM 0 H VAL B 113 7.627 6.483 -11.333 1.00 0.00 H new ATOM 0 HA VAL B 113 5.726 5.192 -13.205 1.00 0.00 H new ATOM 0 HB VAL B 113 5.106 6.911 -10.819 1.00 0.00 H new ATOM 0 HG11 VAL B 113 2.797 5.967 -11.166 1.00 0.00 H new ATOM 0 HG12 VAL B 113 3.362 6.862 -12.597 1.00 0.00 H new ATOM 0 HG13 VAL B 113 3.393 5.083 -12.591 1.00 0.00 H new ATOM 0 HG21 VAL B 113 4.361 4.818 -9.688 1.00 0.00 H new ATOM 0 HG22 VAL B 113 4.996 3.869 -11.053 1.00 0.00 H new ATOM 0 HG23 VAL B 113 6.108 4.805 -10.027 1.00 0.00 H new ATOM 1732 N CYS B 114 5.589 7.259 -14.596 1.00 0.00 N ATOM 1733 CA CYS B 114 5.556 8.378 -15.537 1.00 0.00 C ATOM 1734 C CYS B 114 4.090 8.778 -15.778 1.00 0.00 C ATOM 1735 O CYS B 114 3.340 7.957 -16.306 1.00 0.00 O ATOM 1736 CB CYS B 114 6.248 7.890 -16.825 1.00 0.00 C ATOM 1737 SG CYS B 114 7.947 7.336 -16.469 1.00 0.00 S ATOM 0 H CYS B 114 5.310 6.377 -15.025 1.00 0.00 H new ATOM 0 HA CYS B 114 6.073 9.261 -15.162 1.00 0.00 H new ATOM 0 HB2 CYS B 114 5.677 7.071 -17.263 1.00 0.00 H new ATOM 0 HB3 CYS B 114 6.268 8.694 -17.561 1.00 0.00 H new ATOM 0 HG CYS B 114 8.509 6.927 -17.568 1.00 0.00 H new ATOM 1743 N ILE B 115 3.653 9.983 -15.391 1.00 0.00 N ATOM 1744 CA ILE B 115 2.219 10.354 -15.290 1.00 0.00 C ATOM 1745 C ILE B 115 1.884 11.560 -16.193 1.00 0.00 C ATOM 1746 O ILE B 115 2.727 12.436 -16.396 1.00 0.00 O ATOM 1747 CB ILE B 115 1.823 10.594 -13.800 1.00 0.00 C ATOM 1748 CG1 ILE B 115 2.182 9.380 -12.909 1.00 0.00 C ATOM 1749 CG2 ILE B 115 0.331 10.958 -13.646 1.00 0.00 C ATOM 1750 CD1 ILE B 115 1.873 9.554 -11.416 1.00 0.00 C ATOM 0 H ILE B 115 4.284 10.742 -15.135 1.00 0.00 H new ATOM 0 HA ILE B 115 1.618 9.522 -15.657 1.00 0.00 H new ATOM 0 HB ILE B 115 2.408 11.448 -13.460 1.00 0.00 H new ATOM 0 HG12 ILE B 115 1.642 8.507 -13.276 1.00 0.00 H new ATOM 0 HG13 ILE B 115 3.245 9.168 -13.022 1.00 0.00 H new ATOM 0 HG21 ILE B 115 0.102 11.116 -12.592 1.00 0.00 H new ATOM 0 HG22 ILE B 115 0.120 11.870 -14.204 1.00 0.00 H new ATOM 0 HG23 ILE B 115 -0.284 10.145 -14.033 1.00 0.00 H new ATOM 0 HD11 ILE B 115 2.160 8.651 -10.877 1.00 0.00 H new ATOM 0 HD12 ILE B 115 2.434 10.403 -11.025 1.00 0.00 H new ATOM 0 HD13 ILE B 115 0.806 9.732 -11.284 1.00 0.00 H new ATOM 1762 N GLU B 116 0.653 11.597 -16.720 1.00 0.00 N ATOM 1763 CA GLU B 116 0.039 12.738 -17.407 1.00 0.00 C ATOM 1764 C GLU B 116 -1.395 12.950 -16.870 1.00 0.00 C ATOM 1765 O GLU B 116 -2.306 12.172 -17.153 1.00 0.00 O ATOM 1766 CB GLU B 116 0.085 12.513 -18.935 1.00 0.00 C ATOM 1767 CG GLU B 116 -0.142 13.793 -19.762 1.00 0.00 C ATOM 1768 CD GLU B 116 0.069 13.581 -21.269 1.00 0.00 C ATOM 1769 OE1 GLU B 116 -0.299 12.502 -21.787 1.00 0.00 O ATOM 1770 OE2 GLU B 116 0.587 14.494 -21.959 1.00 0.00 O ATOM 0 H GLU B 116 0.029 10.792 -16.676 1.00 0.00 H new ATOM 0 HA GLU B 116 0.596 13.653 -17.206 1.00 0.00 H new ATOM 0 HB2 GLU B 116 1.053 12.087 -19.201 1.00 0.00 H new ATOM 0 HB3 GLU B 116 -0.672 11.778 -19.207 1.00 0.00 H new ATOM 0 HG2 GLU B 116 -1.156 14.155 -19.590 1.00 0.00 H new ATOM 0 HG3 GLU B 116 0.537 14.570 -19.412 1.00 0.00 H new ATOM 1777 N SER B 117 -1.627 13.983 -16.059 1.00 0.00 N ATOM 1778 CA SER B 117 -2.951 14.250 -15.466 1.00 0.00 C ATOM 1779 C SER B 117 -3.251 15.744 -15.279 1.00 0.00 C ATOM 1780 O SER B 117 -2.348 16.554 -15.061 1.00 0.00 O ATOM 1781 CB SER B 117 -3.084 13.519 -14.119 1.00 0.00 C ATOM 1782 OG SER B 117 -4.356 13.724 -13.508 1.00 0.00 O ATOM 0 H SER B 117 -0.911 14.659 -15.792 1.00 0.00 H new ATOM 0 HA SER B 117 -3.686 13.872 -16.177 1.00 0.00 H new ATOM 0 HB2 SER B 117 -2.926 12.451 -14.272 1.00 0.00 H new ATOM 0 HB3 SER B 117 -2.301 13.864 -13.444 1.00 0.00 H new ATOM 0 HG SER B 117 -4.994 13.064 -13.852 1.00 0.00 H new ATOM 1788 N GLU B 118 -4.541 16.102 -15.316 1.00 0.00 N ATOM 1789 CA GLU B 118 -5.023 17.444 -14.977 1.00 0.00 C ATOM 1790 C GLU B 118 -5.162 17.706 -13.464 1.00 0.00 C ATOM 1791 O GLU B 118 -5.386 18.850 -13.066 1.00 0.00 O ATOM 1792 CB GLU B 118 -6.312 17.768 -15.756 1.00 0.00 C ATOM 1793 CG GLU B 118 -7.585 17.004 -15.353 1.00 0.00 C ATOM 1794 CD GLU B 118 -8.742 17.271 -16.327 1.00 0.00 C ATOM 1795 OE1 GLU B 118 -8.828 18.388 -16.896 1.00 0.00 O ATOM 1796 OE2 GLU B 118 -9.582 16.366 -16.545 1.00 0.00 O ATOM 0 H GLU B 118 -5.286 15.460 -15.585 1.00 0.00 H new ATOM 0 HA GLU B 118 -4.246 18.140 -15.294 1.00 0.00 H new ATOM 0 HB2 GLU B 118 -6.511 18.835 -15.653 1.00 0.00 H new ATOM 0 HB3 GLU B 118 -6.125 17.580 -16.813 1.00 0.00 H new ATOM 0 HG2 GLU B 118 -7.374 15.935 -15.324 1.00 0.00 H new ATOM 0 HG3 GLU B 118 -7.882 17.298 -14.346 1.00 0.00 H new ATOM 1803 N HIS B 119 -4.997 16.687 -12.618 1.00 0.00 N ATOM 1804 CA HIS B 119 -4.932 16.829 -11.154 1.00 0.00 C ATOM 1805 C HIS B 119 -3.569 17.398 -10.685 1.00 0.00 C ATOM 1806 O HIS B 119 -2.572 17.307 -11.402 1.00 0.00 O ATOM 1807 CB HIS B 119 -5.269 15.476 -10.500 1.00 0.00 C ATOM 1808 CG HIS B 119 -6.712 15.048 -10.675 1.00 0.00 C ATOM 1809 ND1 HIS B 119 -7.818 15.796 -10.344 1.00 0.00 N ATOM 1810 CD2 HIS B 119 -7.178 13.846 -11.142 1.00 0.00 C ATOM 1811 CE1 HIS B 119 -8.915 15.067 -10.600 1.00 0.00 C ATOM 1812 NE2 HIS B 119 -8.582 13.858 -11.093 1.00 0.00 N ATOM 0 H HIS B 119 -4.903 15.721 -12.932 1.00 0.00 H new ATOM 0 HA HIS B 119 -5.674 17.560 -10.833 1.00 0.00 H new ATOM 0 HB2 HIS B 119 -4.620 14.709 -10.922 1.00 0.00 H new ATOM 0 HB3 HIS B 119 -5.045 15.533 -9.435 1.00 0.00 H new ATOM 0 HD2 HIS B 119 -6.567 13.026 -11.490 1.00 0.00 H new ATOM 0 HE1 HIS B 119 -9.928 15.404 -10.433 1.00 0.00 H new ATOM 0 HE2 HIS B 119 -9.216 13.109 -11.372 1.00 0.00 H new ATOM 1820 N SER B 120 -3.503 18.020 -9.503 1.00 0.00 N ATOM 1821 CA SER B 120 -2.306 18.768 -9.074 1.00 0.00 C ATOM 1822 C SER B 120 -1.168 17.884 -8.536 1.00 0.00 C ATOM 1823 O SER B 120 -1.401 16.805 -7.986 1.00 0.00 O ATOM 1824 CB SER B 120 -2.663 19.861 -8.050 1.00 0.00 C ATOM 1825 OG SER B 120 -2.882 19.380 -6.728 1.00 0.00 O ATOM 0 H SER B 120 -4.263 18.023 -8.823 1.00 0.00 H new ATOM 0 HA SER B 120 -1.925 19.235 -9.983 1.00 0.00 H new ATOM 0 HB2 SER B 120 -1.859 20.597 -8.027 1.00 0.00 H new ATOM 0 HB3 SER B 120 -3.560 20.379 -8.388 1.00 0.00 H new ATOM 0 HG SER B 120 -3.102 20.132 -6.139 1.00 0.00 H new ATOM 1831 N MET B 121 0.076 18.374 -8.634 1.00 0.00 N ATOM 1832 CA MET B 121 1.278 17.681 -8.148 1.00 0.00 C ATOM 1833 C MET B 121 1.210 17.300 -6.663 1.00 0.00 C ATOM 1834 O MET B 121 1.615 16.199 -6.303 1.00 0.00 O ATOM 1835 CB MET B 121 2.536 18.513 -8.477 1.00 0.00 C ATOM 1836 CG MET B 121 2.813 19.712 -7.552 1.00 0.00 C ATOM 1837 SD MET B 121 1.498 20.951 -7.394 1.00 0.00 S ATOM 1838 CE MET B 121 2.282 22.042 -6.183 1.00 0.00 C ATOM 0 H MET B 121 0.279 19.278 -9.060 1.00 0.00 H new ATOM 0 HA MET B 121 1.337 16.730 -8.677 1.00 0.00 H new ATOM 0 HB2 MET B 121 3.402 17.852 -8.451 1.00 0.00 H new ATOM 0 HB3 MET B 121 2.447 18.881 -9.499 1.00 0.00 H new ATOM 0 HG2 MET B 121 3.037 19.328 -6.557 1.00 0.00 H new ATOM 0 HG3 MET B 121 3.711 20.215 -7.909 1.00 0.00 H new ATOM 0 HE1 MET B 121 1.615 22.874 -5.958 1.00 0.00 H new ATOM 0 HE2 MET B 121 2.487 21.484 -5.270 1.00 0.00 H new ATOM 0 HE3 MET B 121 3.217 22.427 -6.591 1.00 0.00 H new ATOM 1848 N ASP B 122 0.648 18.160 -5.808 1.00 0.00 N ATOM 1849 CA ASP B 122 0.417 17.894 -4.381 1.00 0.00 C ATOM 1850 C ASP B 122 -0.572 16.738 -4.167 1.00 0.00 C ATOM 1851 O ASP B 122 -0.371 15.914 -3.273 1.00 0.00 O ATOM 1852 CB ASP B 122 -0.104 19.185 -3.726 1.00 0.00 C ATOM 1853 CG ASP B 122 -0.446 19.018 -2.240 1.00 0.00 C ATOM 1854 OD1 ASP B 122 0.493 18.990 -1.407 1.00 0.00 O ATOM 1855 OD2 ASP B 122 -1.651 18.891 -1.912 1.00 0.00 O ATOM 0 H ASP B 122 0.332 19.086 -6.095 1.00 0.00 H new ATOM 0 HA ASP B 122 1.356 17.589 -3.919 1.00 0.00 H new ATOM 0 HB2 ASP B 122 0.648 19.967 -3.833 1.00 0.00 H new ATOM 0 HB3 ASP B 122 -0.992 19.522 -4.260 1.00 0.00 H new ATOM 1860 N THR B 123 -1.616 16.662 -5.004 1.00 0.00 N ATOM 1861 CA THR B 123 -2.652 15.618 -4.965 1.00 0.00 C ATOM 1862 C THR B 123 -2.087 14.282 -5.433 1.00 0.00 C ATOM 1863 O THR B 123 -2.298 13.260 -4.778 1.00 0.00 O ATOM 1864 CB THR B 123 -3.851 16.027 -5.828 1.00 0.00 C ATOM 1865 OG1 THR B 123 -4.273 17.311 -5.425 1.00 0.00 O ATOM 1866 CG2 THR B 123 -5.029 15.068 -5.653 1.00 0.00 C ATOM 0 H THR B 123 -1.768 17.343 -5.748 1.00 0.00 H new ATOM 0 HA THR B 123 -2.988 15.503 -3.935 1.00 0.00 H new ATOM 0 HB THR B 123 -3.539 16.009 -6.872 1.00 0.00 H new ATOM 0 HG1 THR B 123 -3.757 17.991 -5.906 1.00 0.00 H new ATOM 0 HG21 THR B 123 -5.859 15.392 -6.281 1.00 0.00 H new ATOM 0 HG22 THR B 123 -4.726 14.062 -5.943 1.00 0.00 H new ATOM 0 HG23 THR B 123 -5.344 15.065 -4.609 1.00 0.00 H new ATOM 1874 N LEU B 124 -1.343 14.291 -6.542 1.00 0.00 N ATOM 1875 CA LEU B 124 -0.650 13.120 -7.081 1.00 0.00 C ATOM 1876 C LEU B 124 0.384 12.595 -6.079 1.00 0.00 C ATOM 1877 O LEU B 124 0.354 11.411 -5.750 1.00 0.00 O ATOM 1878 CB LEU B 124 -0.005 13.494 -8.430 1.00 0.00 C ATOM 1879 CG LEU B 124 -1.014 13.779 -9.565 1.00 0.00 C ATOM 1880 CD1 LEU B 124 -0.280 14.411 -10.753 1.00 0.00 C ATOM 1881 CD2 LEU B 124 -1.731 12.501 -10.032 1.00 0.00 C ATOM 0 H LEU B 124 -1.203 15.132 -7.102 1.00 0.00 H new ATOM 0 HA LEU B 124 -1.364 12.314 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU B 124 0.621 14.375 -8.287 1.00 0.00 H new ATOM 0 HB3 LEU B 124 0.653 12.683 -8.741 1.00 0.00 H new ATOM 0 HG LEU B 124 -1.768 14.462 -9.175 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -0.991 14.613 -11.554 1.00 0.00 H new ATOM 0 HD12 LEU B 124 0.186 15.345 -10.438 1.00 0.00 H new ATOM 0 HD13 LEU B 124 0.488 13.726 -11.113 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -2.431 12.748 -10.830 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -0.996 11.786 -10.402 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -2.275 12.063 -9.195 1.00 0.00 H new ATOM 1893 N LEU B 125 1.236 13.467 -5.530 1.00 0.00 N ATOM 1894 CA LEU B 125 2.246 13.112 -4.531 1.00 0.00 C ATOM 1895 C LEU B 125 1.616 12.522 -3.264 1.00 0.00 C ATOM 1896 O LEU B 125 2.058 11.468 -2.815 1.00 0.00 O ATOM 1897 CB LEU B 125 3.108 14.357 -4.245 1.00 0.00 C ATOM 1898 CG LEU B 125 4.267 14.148 -3.249 1.00 0.00 C ATOM 1899 CD1 LEU B 125 5.229 13.035 -3.687 1.00 0.00 C ATOM 1900 CD2 LEU B 125 5.042 15.465 -3.110 1.00 0.00 C ATOM 0 H LEU B 125 1.242 14.458 -5.773 1.00 0.00 H new ATOM 0 HA LEU B 125 2.888 12.323 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU B 125 3.522 14.715 -5.188 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.460 15.145 -3.862 1.00 0.00 H new ATOM 0 HG LEU B 125 3.836 13.843 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU B 125 6.025 12.931 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU B 125 4.684 12.094 -3.768 1.00 0.00 H new ATOM 0 HD13 LEU B 125 5.662 13.288 -4.655 1.00 0.00 H new ATOM 0 HD21 LEU B 125 5.865 15.331 -2.408 1.00 0.00 H new ATOM 0 HD22 LEU B 125 5.439 15.758 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU B 125 4.374 16.243 -2.741 1.00 0.00 H new ATOM 1912 N ALA B 126 0.548 13.127 -2.730 1.00 0.00 N ATOM 1913 CA ALA B 126 -0.169 12.599 -1.565 1.00 0.00 C ATOM 1914 C ALA B 126 -0.782 11.211 -1.822 1.00 0.00 C ATOM 1915 O ALA B 126 -0.787 10.366 -0.920 1.00 0.00 O ATOM 1916 CB ALA B 126 -1.250 13.608 -1.153 1.00 0.00 C ATOM 0 H ALA B 126 0.157 13.996 -3.094 1.00 0.00 H new ATOM 0 HA ALA B 126 0.548 12.464 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA B 126 -1.792 13.228 -0.287 1.00 0.00 H new ATOM 0 HB2 ALA B 126 -0.782 14.559 -0.899 1.00 0.00 H new ATOM 0 HB3 ALA B 126 -1.945 13.755 -1.980 1.00 0.00 H new ATOM 1922 N THR B 127 -1.281 10.986 -3.043 1.00 0.00 N ATOM 1923 CA THR B 127 -1.882 9.723 -3.506 1.00 0.00 C ATOM 1924 C THR B 127 -0.831 8.627 -3.700 1.00 0.00 C ATOM 1925 O THR B 127 -1.074 7.491 -3.311 1.00 0.00 O ATOM 1926 CB THR B 127 -2.699 9.978 -4.778 1.00 0.00 C ATOM 1927 OG1 THR B 127 -3.680 10.946 -4.482 1.00 0.00 O ATOM 1928 CG2 THR B 127 -3.437 8.735 -5.264 1.00 0.00 C ATOM 0 H THR B 127 -1.279 11.705 -3.766 1.00 0.00 H new ATOM 0 HA THR B 127 -2.557 9.353 -2.734 1.00 0.00 H new ATOM 0 HB THR B 127 -2.003 10.295 -5.554 1.00 0.00 H new ATOM 0 HG1 THR B 127 -3.328 11.839 -4.679 1.00 0.00 H new ATOM 0 HG21 THR B 127 -3.998 8.975 -6.167 1.00 0.00 H new ATOM 0 HG22 THR B 127 -2.717 7.947 -5.483 1.00 0.00 H new ATOM 0 HG23 THR B 127 -4.124 8.394 -4.490 1.00 0.00 H new ATOM 1936 N LEU B 128 0.349 8.951 -4.238 1.00 0.00 N ATOM 1937 CA LEU B 128 1.477 8.017 -4.353 1.00 0.00 C ATOM 1938 C LEU B 128 2.043 7.650 -2.971 1.00 0.00 C ATOM 1939 O LEU B 128 2.245 6.475 -2.661 1.00 0.00 O ATOM 1940 CB LEU B 128 2.574 8.664 -5.229 1.00 0.00 C ATOM 1941 CG LEU B 128 2.226 8.816 -6.725 1.00 0.00 C ATOM 1942 CD1 LEU B 128 3.273 9.710 -7.405 1.00 0.00 C ATOM 1943 CD2 LEU B 128 2.175 7.457 -7.436 1.00 0.00 C ATOM 0 H LEU B 128 0.552 9.879 -4.610 1.00 0.00 H new ATOM 0 HA LEU B 128 1.127 7.095 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU B 128 2.802 9.650 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU B 128 3.482 8.067 -5.144 1.00 0.00 H new ATOM 0 HG LEU B 128 1.238 9.270 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU B 128 3.028 9.818 -8.462 1.00 0.00 H new ATOM 0 HD12 LEU B 128 3.276 10.692 -6.931 1.00 0.00 H new ATOM 0 HD13 LEU B 128 4.259 9.256 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU B 128 1.927 7.605 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU B 128 3.146 6.969 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU B 128 1.415 6.830 -6.969 1.00 0.00 H new ATOM 1955 N LYS B 129 2.297 8.650 -2.126 1.00 0.00 N ATOM 1956 CA LYS B 129 3.018 8.507 -0.855 1.00 0.00 C ATOM 1957 C LYS B 129 2.285 7.624 0.168 1.00 0.00 C ATOM 1958 O LYS B 129 2.927 6.845 0.873 1.00 0.00 O ATOM 1959 CB LYS B 129 3.312 9.930 -0.357 1.00 0.00 C ATOM 1960 CG LYS B 129 4.262 10.009 0.846 1.00 0.00 C ATOM 1961 CD LYS B 129 4.448 11.462 1.312 1.00 0.00 C ATOM 1962 CE LYS B 129 5.116 12.356 0.252 1.00 0.00 C ATOM 1963 NZ LYS B 129 5.059 13.775 0.654 1.00 0.00 N ATOM 0 H LYS B 129 2.000 9.608 -2.309 1.00 0.00 H new ATOM 0 HA LYS B 129 3.952 7.966 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS B 129 3.740 10.506 -1.178 1.00 0.00 H new ATOM 0 HB3 LYS B 129 2.370 10.408 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS B 129 3.866 9.409 1.666 1.00 0.00 H new ATOM 0 HG3 LYS B 129 5.229 9.584 0.578 1.00 0.00 H new ATOM 0 HD2 LYS B 129 3.476 11.881 1.572 1.00 0.00 H new ATOM 0 HD3 LYS B 129 5.052 11.472 2.219 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.154 12.053 0.116 1.00 0.00 H new ATOM 0 HE3 LYS B 129 4.617 12.225 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.515 14.361 -0.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 4.066 14.066 0.761 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 5.556 13.900 1.559 1.00 0.00 H new ATOM 1977 N LYS B 130 0.942 7.620 0.171 1.00 0.00 N ATOM 1978 CA LYS B 130 0.138 6.745 1.043 1.00 0.00 C ATOM 1979 C LYS B 130 0.253 5.232 0.738 1.00 0.00 C ATOM 1980 O LYS B 130 -0.231 4.421 1.530 1.00 0.00 O ATOM 1981 CB LYS B 130 -1.319 7.237 1.136 1.00 0.00 C ATOM 1982 CG LYS B 130 -2.085 7.206 -0.195 1.00 0.00 C ATOM 1983 CD LYS B 130 -3.545 7.671 -0.070 1.00 0.00 C ATOM 1984 CE LYS B 130 -3.638 9.099 0.487 1.00 0.00 C ATOM 1985 NZ LYS B 130 -5.009 9.649 0.393 1.00 0.00 N ATOM 0 H LYS B 130 0.382 8.223 -0.431 1.00 0.00 H new ATOM 0 HA LYS B 130 0.582 6.833 2.035 1.00 0.00 H new ATOM 0 HB2 LYS B 130 -1.851 6.623 1.862 1.00 0.00 H new ATOM 0 HB3 LYS B 130 -1.321 8.257 1.519 1.00 0.00 H new ATOM 0 HG2 LYS B 130 -1.570 7.840 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS B 130 -2.067 6.191 -0.592 1.00 0.00 H new ATOM 0 HD2 LYS B 130 -4.026 7.629 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS B 130 -4.090 6.989 0.583 1.00 0.00 H new ATOM 0 HE2 LYS B 130 -3.318 9.102 1.529 1.00 0.00 H new ATOM 0 HE3 LYS B 130 -2.951 9.745 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS B 130 -5.023 10.614 0.781 1.00 0.00 H new ATOM 0 HZ2 LYS B 130 -5.306 9.672 -0.603 1.00 0.00 H new ATOM 0 HZ3 LYS B 130 -5.662 9.048 0.936 1.00 0.00 H new ATOM 1999 N THR B 131 0.979 4.826 -0.319 1.00 0.00 N ATOM 2000 CA THR B 131 1.422 3.425 -0.515 1.00 0.00 C ATOM 2001 C THR B 131 2.461 2.948 0.505 1.00 0.00 C ATOM 2002 O THR B 131 2.837 1.777 0.462 1.00 0.00 O ATOM 2003 CB THR B 131 1.934 3.158 -1.936 1.00 0.00 C ATOM 2004 OG1 THR B 131 3.056 3.959 -2.213 1.00 0.00 O ATOM 2005 CG2 THR B 131 0.863 3.402 -2.991 1.00 0.00 C ATOM 0 H THR B 131 1.277 5.456 -1.064 1.00 0.00 H new ATOM 0 HA THR B 131 0.516 2.841 -0.352 1.00 0.00 H new ATOM 0 HB THR B 131 2.212 2.105 -1.979 1.00 0.00 H new ATOM 0 HG1 THR B 131 2.779 4.896 -2.285 1.00 0.00 H new ATOM 0 HG21 THR B 131 1.274 3.200 -3.980 1.00 0.00 H new ATOM 0 HG22 THR B 131 0.015 2.742 -2.808 1.00 0.00 H new ATOM 0 HG23 THR B 131 0.532 4.439 -2.941 1.00 0.00 H new ATOM 2013 N GLY B 132 2.940 3.819 1.401 1.00 0.00 N ATOM 2014 CA GLY B 132 3.962 3.513 2.406 1.00 0.00 C ATOM 2015 C GLY B 132 5.348 3.656 1.797 1.00 0.00 C ATOM 2016 O GLY B 132 6.078 2.672 1.680 1.00 0.00 O ATOM 0 H GLY B 132 2.617 4.785 1.447 1.00 0.00 H new ATOM 0 HA2 GLY B 132 3.859 4.185 3.258 1.00 0.00 H new ATOM 0 HA3 GLY B 132 3.823 2.499 2.781 1.00 0.00 H new ATOM 2020 N LYS B 133 5.671 4.858 1.312 1.00 0.00 N ATOM 2021 CA LYS B 133 6.819 5.105 0.433 1.00 0.00 C ATOM 2022 C LYS B 133 7.541 6.426 0.713 1.00 0.00 C ATOM 2023 O LYS B 133 6.906 7.430 1.046 1.00 0.00 O ATOM 2024 CB LYS B 133 6.337 5.070 -1.038 1.00 0.00 C ATOM 2025 CG LYS B 133 7.140 4.132 -1.955 1.00 0.00 C ATOM 2026 CD LYS B 133 7.100 2.648 -1.554 1.00 0.00 C ATOM 2027 CE LYS B 133 5.680 2.071 -1.462 1.00 0.00 C ATOM 2028 NZ LYS B 133 5.653 0.879 -0.588 1.00 0.00 N ATOM 0 H LYS B 133 5.135 5.700 1.522 1.00 0.00 H new ATOM 0 HA LYS B 133 7.548 4.319 0.630 1.00 0.00 H new ATOM 0 HB2 LYS B 133 5.291 4.765 -1.056 1.00 0.00 H new ATOM 0 HB3 LYS B 133 6.382 6.080 -1.445 1.00 0.00 H new ATOM 0 HG2 LYS B 133 6.761 4.229 -2.972 1.00 0.00 H new ATOM 0 HG3 LYS B 133 8.179 4.462 -1.969 1.00 0.00 H new ATOM 0 HD2 LYS B 133 7.671 2.069 -2.280 1.00 0.00 H new ATOM 0 HD3 LYS B 133 7.595 2.528 -0.590 1.00 0.00 H new ATOM 0 HE2 LYS B 133 4.999 2.828 -1.073 1.00 0.00 H new ATOM 0 HE3 LYS B 133 5.325 1.805 -2.458 1.00 0.00 H new ATOM 0 HZ1 LYS B 133 4.736 0.398 -0.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 133 6.416 0.229 -0.864 1.00 0.00 H new ATOM 0 HZ3 LYS B 133 5.788 1.171 0.401 1.00 0.00 H new ATOM 2042 N THR B 134 8.853 6.417 0.447 1.00 0.00 N ATOM 2043 CA THR B 134 9.624 7.588 0.030 1.00 0.00 C ATOM 2044 C THR B 134 9.351 7.774 -1.455 1.00 0.00 C ATOM 2045 O THR B 134 9.746 6.931 -2.262 1.00 0.00 O ATOM 2046 CB THR B 134 11.119 7.361 0.279 1.00 0.00 C ATOM 2047 OG1 THR B 134 11.296 7.077 1.646 1.00 0.00 O ATOM 2048 CG2 THR B 134 11.958 8.589 -0.072 1.00 0.00 C ATOM 0 H THR B 134 9.420 5.572 0.519 1.00 0.00 H new ATOM 0 HA THR B 134 9.336 8.474 0.596 1.00 0.00 H new ATOM 0 HB THR B 134 11.449 6.539 -0.356 1.00 0.00 H new ATOM 0 HG1 THR B 134 12.247 6.926 1.828 1.00 0.00 H new ATOM 0 HG21 THR B 134 13.010 8.378 0.122 1.00 0.00 H new ATOM 0 HG22 THR B 134 11.825 8.832 -1.126 1.00 0.00 H new ATOM 0 HG23 THR B 134 11.639 9.434 0.538 1.00 0.00 H new ATOM 2056 N VAL B 135 8.658 8.845 -1.811 1.00 0.00 N ATOM 2057 CA VAL B 135 8.400 9.246 -3.207 1.00 0.00 C ATOM 2058 C VAL B 135 9.366 10.369 -3.586 1.00 0.00 C ATOM 2059 O VAL B 135 9.490 11.351 -2.860 1.00 0.00 O ATOM 2060 CB VAL B 135 6.940 9.703 -3.429 1.00 0.00 C ATOM 2061 CG1 VAL B 135 6.675 10.032 -4.912 1.00 0.00 C ATOM 2062 CG2 VAL B 135 5.939 8.623 -2.988 1.00 0.00 C ATOM 0 H VAL B 135 8.245 9.482 -1.130 1.00 0.00 H new ATOM 0 HA VAL B 135 8.558 8.376 -3.844 1.00 0.00 H new ATOM 0 HB VAL B 135 6.802 10.598 -2.823 1.00 0.00 H new ATOM 0 HG11 VAL B 135 5.640 10.350 -5.035 1.00 0.00 H new ATOM 0 HG12 VAL B 135 7.341 10.833 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL B 135 6.857 9.145 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL B 135 4.923 8.978 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL B 135 6.107 7.714 -3.565 1.00 0.00 H new ATOM 0 HG23 VAL B 135 6.076 8.411 -1.928 1.00 0.00 H new ATOM 2072 N SER B 136 10.045 10.230 -4.723 1.00 0.00 N ATOM 2073 CA SER B 136 11.016 11.210 -5.220 1.00 0.00 C ATOM 2074 C SER B 136 10.521 11.832 -6.534 1.00 0.00 C ATOM 2075 O SER B 136 10.481 11.174 -7.575 1.00 0.00 O ATOM 2076 CB SER B 136 12.392 10.549 -5.399 1.00 0.00 C ATOM 2077 OG SER B 136 12.843 9.960 -4.186 1.00 0.00 O ATOM 0 H SER B 136 9.936 9.422 -5.336 1.00 0.00 H new ATOM 0 HA SER B 136 11.119 12.011 -4.488 1.00 0.00 H new ATOM 0 HB2 SER B 136 12.334 9.787 -6.176 1.00 0.00 H new ATOM 0 HB3 SER B 136 13.114 11.293 -5.735 1.00 0.00 H new ATOM 0 HG SER B 136 13.719 9.546 -4.330 1.00 0.00 H new ATOM 2083 N TYR B 137 10.121 13.104 -6.491 1.00 0.00 N ATOM 2084 CA TYR B 137 9.540 13.828 -7.629 1.00 0.00 C ATOM 2085 C TYR B 137 10.628 14.424 -8.540 1.00 0.00 C ATOM 2086 O TYR B 137 11.460 15.221 -8.090 1.00 0.00 O ATOM 2087 CB TYR B 137 8.595 14.909 -7.081 1.00 0.00 C ATOM 2088 CG TYR B 137 8.180 15.972 -8.084 1.00 0.00 C ATOM 2089 CD1 TYR B 137 7.603 15.611 -9.319 1.00 0.00 C ATOM 2090 CD2 TYR B 137 8.401 17.331 -7.785 1.00 0.00 C ATOM 2091 CE1 TYR B 137 7.247 16.607 -10.248 1.00 0.00 C ATOM 2092 CE2 TYR B 137 8.047 18.329 -8.711 1.00 0.00 C ATOM 2093 CZ TYR B 137 7.463 17.969 -9.945 1.00 0.00 C ATOM 2094 OH TYR B 137 7.113 18.926 -10.846 1.00 0.00 O ATOM 0 H TYR B 137 10.192 13.674 -5.648 1.00 0.00 H new ATOM 0 HA TYR B 137 8.975 13.136 -8.254 1.00 0.00 H new ATOM 0 HB2 TYR B 137 7.698 14.424 -6.697 1.00 0.00 H new ATOM 0 HB3 TYR B 137 9.079 15.398 -6.236 1.00 0.00 H new ATOM 0 HD1 TYR B 137 7.434 14.570 -9.552 1.00 0.00 H new ATOM 0 HD2 TYR B 137 8.844 17.608 -6.840 1.00 0.00 H new ATOM 0 HE1 TYR B 137 6.808 16.329 -11.195 1.00 0.00 H new ATOM 0 HE2 TYR B 137 8.222 19.369 -8.478 1.00 0.00 H new ATOM 0 HH TYR B 137 7.327 19.811 -10.483 1.00 0.00 H new ATOM 2104 N LEU B 138 10.605 14.070 -9.831 1.00 0.00 N ATOM 2105 CA LEU B 138 11.627 14.429 -10.822 1.00 0.00 C ATOM 2106 C LEU B 138 11.051 15.328 -11.932 1.00 0.00 C ATOM 2107 O LEU B 138 11.219 15.063 -13.125 1.00 0.00 O ATOM 2108 CB LEU B 138 12.252 13.124 -11.365 1.00 0.00 C ATOM 2109 CG LEU B 138 12.961 12.249 -10.307 1.00 0.00 C ATOM 2110 CD1 LEU B 138 13.389 10.923 -10.948 1.00 0.00 C ATOM 2111 CD2 LEU B 138 14.193 12.944 -9.706 1.00 0.00 C ATOM 0 H LEU B 138 9.851 13.508 -10.227 1.00 0.00 H new ATOM 0 HA LEU B 138 12.411 15.024 -10.354 1.00 0.00 H new ATOM 0 HB2 LEU B 138 11.468 12.532 -11.837 1.00 0.00 H new ATOM 0 HB3 LEU B 138 12.971 13.380 -12.144 1.00 0.00 H new ATOM 0 HG LEU B 138 12.253 12.074 -9.497 1.00 0.00 H new ATOM 0 HD11 LEU B 138 13.890 10.304 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU B 138 12.510 10.400 -11.323 1.00 0.00 H new ATOM 0 HD13 LEU B 138 14.073 11.122 -11.773 1.00 0.00 H new ATOM 0 HD21 LEU B 138 14.656 12.289 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU B 138 14.910 13.163 -10.498 1.00 0.00 H new ATOM 0 HD23 LEU B 138 13.888 13.874 -9.225 1.00 0.00 H new ATOM 2123 N GLY B 139 10.437 16.444 -11.522 1.00 0.00 N ATOM 2124 CA GLY B 139 10.170 17.618 -12.361 1.00 0.00 C ATOM 2125 C GLY B 139 8.970 17.522 -13.311 1.00 0.00 C ATOM 2126 O GLY B 139 8.542 16.439 -13.729 1.00 0.00 O ATOM 0 H GLY B 139 10.101 16.558 -10.566 1.00 0.00 H new ATOM 0 HA2 GLY B 139 10.020 18.477 -11.707 1.00 0.00 H new ATOM 0 HA3 GLY B 139 11.060 17.822 -12.956 1.00 0.00 H new ATOM 2130 N LEU B 140 8.462 18.698 -13.691 1.00 0.00 N ATOM 2131 CA LEU B 140 7.417 18.895 -14.700 1.00 0.00 C ATOM 2132 C LEU B 140 8.075 19.075 -16.077 1.00 0.00 C ATOM 2133 O LEU B 140 8.911 19.967 -16.262 1.00 0.00 O ATOM 2134 CB LEU B 140 6.574 20.115 -14.272 1.00 0.00 C ATOM 2135 CG LEU B 140 5.186 20.212 -14.935 1.00 0.00 C ATOM 2136 CD1 LEU B 140 4.246 19.125 -14.389 1.00 0.00 C ATOM 2137 CD2 LEU B 140 4.581 21.594 -14.661 1.00 0.00 C ATOM 0 H LEU B 140 8.782 19.578 -13.286 1.00 0.00 H new ATOM 0 HA LEU B 140 6.754 18.033 -14.778 1.00 0.00 H new ATOM 0 HB2 LEU B 140 6.442 20.085 -13.190 1.00 0.00 H new ATOM 0 HB3 LEU B 140 7.133 21.022 -14.500 1.00 0.00 H new ATOM 0 HG LEU B 140 5.303 20.066 -16.009 1.00 0.00 H new ATOM 0 HD11 LEU B 140 3.272 19.211 -14.870 1.00 0.00 H new ATOM 0 HD12 LEU B 140 4.667 18.142 -14.597 1.00 0.00 H new ATOM 0 HD13 LEU B 140 4.131 19.250 -13.312 1.00 0.00 H new ATOM 0 HD21 LEU B 140 3.600 21.661 -15.130 1.00 0.00 H new ATOM 0 HD22 LEU B 140 4.480 21.740 -13.586 1.00 0.00 H new ATOM 0 HD23 LEU B 140 5.233 22.365 -15.072 1.00 0.00 H new ATOM 2149 N GLU B 141 7.745 18.195 -17.025 1.00 0.00 N ATOM 2150 CA GLU B 141 8.459 18.015 -18.304 1.00 0.00 C ATOM 2151 C GLU B 141 8.185 19.110 -19.338 1.00 0.00 C ATOM 2152 O GLU B 141 7.116 19.082 -19.988 1.00 0.00 O ATOM 2153 CB GLU B 141 8.117 16.624 -18.856 1.00 0.00 C ATOM 2154 CG GLU B 141 9.046 16.202 -20.001 1.00 0.00 C ATOM 2155 CD GLU B 141 8.503 14.957 -20.704 1.00 0.00 C ATOM 2156 OE1 GLU B 141 8.793 13.828 -20.235 1.00 0.00 O ATOM 2157 OE2 GLU B 141 7.797 15.103 -21.734 1.00 0.00 O ATOM 2158 OXT GLU B 141 9.042 20.005 -19.492 1.00 0.00 O ATOM 0 H GLU B 141 6.949 17.565 -16.926 1.00 0.00 H new ATOM 0 HA GLU B 141 9.527 18.098 -18.101 1.00 0.00 H new ATOM 0 HB2 GLU B 141 8.181 15.891 -18.051 1.00 0.00 H new ATOM 0 HB3 GLU B 141 7.086 16.620 -19.209 1.00 0.00 H new ATOM 0 HG2 GLU B 141 9.143 17.018 -20.717 1.00 0.00 H new ATOM 0 HG3 GLU B 141 10.044 16.000 -19.611 1.00 0.00 H new