USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 927 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 54 ASN : amide:sc= -3.65! C(o=-4.7!,f=-4.8!) USER MOD Set 1.2: B 59 SER OG : rot 120:sc= -1.04 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.112 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc=-0.00281 X(o=-0.0028,f=0) USER MOD Single : A 4 MET CE :methyl 169:sc= -0.0286 (180deg=-0.26) USER MOD Single : A 5 SER OG : rot 33:sc= 0.0233 USER MOD Single : A 7 GLN : amide:sc= -1.3! C(o=-1.3!,f=-1.6!) USER MOD Single : A 20 TYR OH : rot 108:sc= 0.0931 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : B 25 HIS : no HD1:sc= -0.753 K(o=-0.75,f=0.16) USER MOD Single : B 27 GLN : amide:sc= -2.34! C(o=-2.3!,f=-5.8!) USER MOD Single : B 28 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.22) USER MOD Single : B 34 TYR OH : rot -41:sc= 0.0148 USER MOD Single : B 37 LYS NZ :NH3+ 137:sc= 2.31 (180deg=0.308) USER MOD Single : B 38 MET CE :methyl -122:sc= -0.0104 (180deg=-1.48) USER MOD Single : B 39 LYS NZ :NH3+ 160:sc= 1.31 (180deg=0.802) USER MOD Single : B 42 LYS NZ :NH3+ -169:sc=-0.00885 (180deg=-0.163) USER MOD Single : B 46 TYR OH : rot -30:sc= -0.081 USER MOD Single : B 47 LYS NZ :NH3+ -175:sc= 1.99 (180deg=1.9) USER MOD Single : B 55 LYS NZ :NH3+ 164:sc= 1.27 (180deg=1.16) USER MOD Single : B 58 ASN : amide:sc= -0.889 K(o=-0.89,f=-0.21) USER MOD Single : B 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0411) USER MOD Single : B 65 SER OG : rot 180:sc= 0 USER MOD Single : B 67 SER OG : rot -26:sc= 0.215 USER MOD Single : B 68 TYR OH : rot 180:sc= -0.613 USER MOD Single : B 69 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.26) USER MOD Single : B 73 ASN : amide:sc= -2.1 K(o=-2.1,f=-1.6) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 78 ASN : amide:sc= 0.754 K(o=0.75,f=-4.4!) USER MOD Single : B 80 LYS NZ :NH3+ -163:sc= 1.25 (180deg=1.24) USER MOD Single : B 82 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN : amide:sc= -3.39! C(o=-3.4!,f=-2!) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 100 HIS : no HE2:sc= 0.12 K(o=0.12,f=-2.2!) USER MOD Single : B 103 LYS NZ :NH3+ 157:sc= 1.2 (180deg=0.972) USER MOD Single : B 106 THR OG1 : rot 60:sc= 0.726 USER MOD Single : B 108 TYR OH : rot 180:sc= 0 USER MOD Single : B 110 TYR OH : rot -174:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.455 17.561 -2.950 1.00 0.00 N ATOM 2 CA GLY A 1 15.021 18.574 -3.941 1.00 0.00 C ATOM 3 C GLY A 1 13.870 19.412 -3.424 1.00 0.00 C ATOM 4 O GLY A 1 13.545 19.342 -2.238 1.00 0.00 O ATOM 0 H1 GLY A 1 16.431 17.763 -2.652 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.826 17.594 -2.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.413 16.615 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.861 19.223 -4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.722 18.075 -4.863 1.00 0.00 H new ATOM 10 N PRO A 2 13.233 20.217 -4.291 1.00 0.00 N ATOM 11 CA PRO A 2 12.085 21.041 -3.905 1.00 0.00 C ATOM 12 C PRO A 2 10.901 20.181 -3.480 1.00 0.00 C ATOM 13 O PRO A 2 10.503 20.185 -2.317 1.00 0.00 O ATOM 14 CB PRO A 2 11.752 21.835 -5.176 1.00 0.00 C ATOM 15 CG PRO A 2 12.958 21.715 -6.046 1.00 0.00 C ATOM 16 CD PRO A 2 13.582 20.392 -5.708 1.00 0.00 C ATOM 0 HA PRO A 2 12.306 21.682 -3.051 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.869 21.431 -5.671 1.00 0.00 H new ATOM 0 HB3 PRO A 2 11.538 22.878 -4.943 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.685 21.759 -7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.654 22.533 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.182 19.587 -6.325 1.00 0.00 H new ATOM 0 HD3 PRO A 2 14.661 20.404 -5.860 1.00 0.00 H new ATOM 24 N HIS A 3 10.347 19.434 -4.424 1.00 0.00 N ATOM 25 CA HIS A 3 9.274 18.498 -4.125 1.00 0.00 C ATOM 26 C HIS A 3 9.608 17.125 -4.693 1.00 0.00 C ATOM 27 O HIS A 3 10.088 16.253 -3.969 1.00 0.00 O ATOM 28 CB HIS A 3 7.929 18.989 -4.679 1.00 0.00 C ATOM 29 CG HIS A 3 7.315 20.116 -3.901 1.00 0.00 C ATOM 30 ND1 HIS A 3 6.105 20.011 -3.247 1.00 0.00 N ATOM 31 CD2 HIS A 3 7.743 21.382 -3.689 1.00 0.00 C ATOM 32 CE1 HIS A 3 5.818 21.164 -2.670 1.00 0.00 C ATOM 33 NE2 HIS A 3 6.796 22.010 -2.923 1.00 0.00 N ATOM 0 H HIS A 3 10.624 19.458 -5.405 1.00 0.00 H new ATOM 0 HA HIS A 3 9.181 18.427 -3.041 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.070 19.310 -5.711 1.00 0.00 H new ATOM 0 HB3 HIS A 3 7.230 18.153 -4.698 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.661 21.817 -4.056 1.00 0.00 H new ATOM 0 HE1 HIS A 3 4.932 21.377 -2.090 1.00 0.00 H new ATOM 0 HE2 HIS A 3 6.841 22.977 -2.601 1.00 0.00 H new ATOM 42 N MET A 4 9.381 16.967 -5.997 1.00 0.00 N ATOM 43 CA MET A 4 9.655 15.722 -6.720 1.00 0.00 C ATOM 44 C MET A 4 8.766 14.575 -6.245 1.00 0.00 C ATOM 45 O MET A 4 8.729 14.221 -5.064 1.00 0.00 O ATOM 46 CB MET A 4 11.132 15.333 -6.620 1.00 0.00 C ATOM 47 CG MET A 4 11.467 13.999 -7.277 1.00 0.00 C ATOM 48 SD MET A 4 10.950 13.900 -9.004 1.00 0.00 S ATOM 49 CE MET A 4 11.886 15.243 -9.729 1.00 0.00 C ATOM 0 H MET A 4 8.998 17.705 -6.588 1.00 0.00 H new ATOM 0 HA MET A 4 9.419 15.910 -7.768 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.735 16.115 -7.081 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.416 15.290 -5.568 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.543 13.833 -7.217 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.989 13.196 -6.716 1.00 0.00 H new ATOM 0 HE1 MET A 4 11.824 15.185 -10.816 1.00 0.00 H new ATOM 0 HE2 MET A 4 11.476 16.195 -9.393 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.929 15.168 -9.421 1.00 0.00 H new ATOM 59 N SER A 5 8.059 13.991 -7.188 1.00 0.00 N ATOM 60 CA SER A 5 7.173 12.881 -6.908 1.00 0.00 C ATOM 61 C SER A 5 7.272 11.842 -8.017 1.00 0.00 C ATOM 62 O SER A 5 7.192 12.172 -9.199 1.00 0.00 O ATOM 63 CB SER A 5 5.734 13.379 -6.757 1.00 0.00 C ATOM 64 OG SER A 5 5.359 14.204 -7.850 1.00 0.00 O ATOM 0 H SER A 5 8.082 14.271 -8.169 1.00 0.00 H new ATOM 0 HA SER A 5 7.473 12.414 -5.970 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.057 12.528 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.635 13.937 -5.826 1.00 0.00 H new ATOM 0 HG SER A 5 5.815 13.898 -8.662 1.00 0.00 H new ATOM 70 N VAL A 6 7.470 10.596 -7.633 1.00 0.00 N ATOM 71 CA VAL A 6 7.606 9.516 -8.595 1.00 0.00 C ATOM 72 C VAL A 6 6.476 8.515 -8.432 1.00 0.00 C ATOM 73 O VAL A 6 6.113 8.150 -7.318 1.00 0.00 O ATOM 74 CB VAL A 6 8.964 8.800 -8.451 1.00 0.00 C ATOM 75 CG1 VAL A 6 10.091 9.712 -8.900 1.00 0.00 C ATOM 76 CG2 VAL A 6 9.187 8.350 -7.017 1.00 0.00 C ATOM 0 H VAL A 6 7.541 10.304 -6.658 1.00 0.00 H new ATOM 0 HA VAL A 6 7.556 9.955 -9.591 1.00 0.00 H new ATOM 0 HB VAL A 6 8.954 7.916 -9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 6 11.044 9.193 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.943 9.986 -9.944 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.097 10.612 -8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 6 10.151 7.847 -6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.176 9.218 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.394 7.662 -6.724 1.00 0.00 H new ATOM 86 N GLN A 7 5.916 8.076 -9.542 1.00 0.00 N ATOM 87 CA GLN A 7 4.779 7.172 -9.501 1.00 0.00 C ATOM 88 C GLN A 7 5.263 5.735 -9.413 1.00 0.00 C ATOM 89 O GLN A 7 6.238 5.356 -10.065 1.00 0.00 O ATOM 90 CB GLN A 7 3.859 7.364 -10.717 1.00 0.00 C ATOM 91 CG GLN A 7 4.416 6.851 -12.042 1.00 0.00 C ATOM 92 CD GLN A 7 5.645 7.603 -12.510 1.00 0.00 C ATOM 93 OE1 GLN A 7 5.543 8.620 -13.195 1.00 0.00 O ATOM 94 NE2 GLN A 7 6.816 7.101 -12.157 1.00 0.00 N ATOM 0 H GLN A 7 6.226 8.328 -10.480 1.00 0.00 H new ATOM 0 HA GLN A 7 4.192 7.404 -8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 7 2.913 6.860 -10.520 1.00 0.00 H new ATOM 0 HB3 GLN A 7 3.638 8.426 -10.821 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.663 5.794 -11.939 1.00 0.00 H new ATOM 0 HG3 GLN A 7 3.642 6.924 -12.806 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.858 6.255 -11.588 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.678 7.559 -12.454 1.00 0.00 H new ATOM 103 N ILE A 8 4.609 4.945 -8.584 1.00 0.00 N ATOM 104 CA ILE A 8 5.003 3.556 -8.414 1.00 0.00 C ATOM 105 C ILE A 8 3.953 2.628 -9.021 1.00 0.00 C ATOM 106 O ILE A 8 2.782 2.674 -8.642 1.00 0.00 O ATOM 107 CB ILE A 8 5.201 3.185 -6.930 1.00 0.00 C ATOM 108 CG1 ILE A 8 5.793 4.354 -6.133 1.00 0.00 C ATOM 109 CG2 ILE A 8 6.108 1.965 -6.818 1.00 0.00 C ATOM 110 CD1 ILE A 8 7.168 4.783 -6.591 1.00 0.00 C ATOM 0 H ILE A 8 3.809 5.235 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 8 5.956 3.433 -8.928 1.00 0.00 H new ATOM 0 HB ILE A 8 4.224 2.953 -6.507 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.117 5.206 -6.203 1.00 0.00 H new ATOM 0 HG13 ILE A 8 5.844 4.073 -5.081 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.244 1.708 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.653 1.124 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 8 7.077 2.189 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.514 5.614 -5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.861 3.947 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.122 5.098 -7.634 1.00 0.00 H new ATOM 122 N PRO A 9 4.352 1.796 -9.990 1.00 0.00 N ATOM 123 CA PRO A 9 3.447 0.834 -10.627 1.00 0.00 C ATOM 124 C PRO A 9 3.104 -0.341 -9.711 1.00 0.00 C ATOM 125 O PRO A 9 3.976 -0.901 -9.045 1.00 0.00 O ATOM 126 CB PRO A 9 4.240 0.354 -11.843 1.00 0.00 C ATOM 127 CG PRO A 9 5.670 0.546 -11.470 1.00 0.00 C ATOM 128 CD PRO A 9 5.713 1.738 -10.553 1.00 0.00 C ATOM 0 HA PRO A 9 2.486 1.283 -10.878 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.027 -0.692 -12.066 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.984 0.928 -12.733 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.064 -0.341 -10.973 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.283 0.715 -12.355 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.464 1.616 -9.773 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.961 2.651 -11.094 1.00 0.00 H new ATOM 136 N VAL A 10 1.829 -0.706 -9.672 1.00 0.00 N ATOM 137 CA VAL A 10 1.375 -1.823 -8.856 1.00 0.00 C ATOM 138 C VAL A 10 1.219 -3.081 -9.694 1.00 0.00 C ATOM 139 O VAL A 10 0.667 -3.042 -10.795 1.00 0.00 O ATOM 140 CB VAL A 10 0.019 -1.529 -8.188 1.00 0.00 C ATOM 141 CG1 VAL A 10 -0.357 -2.636 -7.218 1.00 0.00 C ATOM 142 CG2 VAL A 10 0.041 -0.191 -7.485 1.00 0.00 C ATOM 0 H VAL A 10 1.089 -0.242 -10.199 1.00 0.00 H new ATOM 0 HA VAL A 10 2.135 -1.970 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.738 -1.489 -8.971 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.318 -2.406 -6.759 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.428 -3.582 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.406 -2.715 -6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.928 -0.007 -7.022 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.815 -0.196 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.252 0.597 -8.208 1.00 0.00 H new ATOM 152 N VAL A 11 1.714 -4.188 -9.173 1.00 0.00 N ATOM 153 CA VAL A 11 1.507 -5.483 -9.790 1.00 0.00 C ATOM 154 C VAL A 11 0.226 -6.095 -9.235 1.00 0.00 C ATOM 155 O VAL A 11 -0.140 -5.822 -8.095 1.00 0.00 O ATOM 156 CB VAL A 11 2.684 -6.431 -9.485 1.00 0.00 C ATOM 157 CG1 VAL A 11 2.559 -7.009 -8.099 1.00 0.00 C ATOM 158 CG2 VAL A 11 2.805 -7.547 -10.500 1.00 0.00 C ATOM 0 H VAL A 11 2.267 -4.215 -8.316 1.00 0.00 H new ATOM 0 HA VAL A 11 1.435 -5.349 -10.869 1.00 0.00 H new ATOM 0 HB VAL A 11 3.592 -5.831 -9.546 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.400 -7.675 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.559 -6.202 -7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.627 -7.569 -8.021 1.00 0.00 H new ATOM 0 HG21 VAL A 11 3.649 -8.186 -10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.889 -8.138 -10.502 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.964 -7.122 -11.491 1.00 0.00 H new ATOM 168 N GLU A 12 -0.483 -6.873 -10.026 1.00 0.00 N ATOM 169 CA GLU A 12 -1.586 -7.642 -9.484 1.00 0.00 C ATOM 170 C GLU A 12 -1.296 -9.125 -9.596 1.00 0.00 C ATOM 171 O GLU A 12 -1.553 -9.760 -10.620 1.00 0.00 O ATOM 172 CB GLU A 12 -2.907 -7.279 -10.148 1.00 0.00 C ATOM 173 CG GLU A 12 -3.350 -5.871 -9.809 1.00 0.00 C ATOM 174 CD GLU A 12 -4.802 -5.618 -10.135 1.00 0.00 C ATOM 175 OE1 GLU A 12 -5.103 -5.203 -11.272 1.00 0.00 O ATOM 176 OE2 GLU A 12 -5.651 -5.822 -9.243 1.00 0.00 O ATOM 0 H GLU A 12 -0.321 -6.990 -11.026 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.687 -7.391 -8.428 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.807 -7.376 -11.229 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.676 -7.985 -9.834 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.184 -5.689 -8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.731 -5.159 -10.355 1.00 0.00 H new ATOM 183 N VAL A 13 -0.752 -9.663 -8.521 1.00 0.00 N ATOM 184 CA VAL A 13 -0.362 -11.063 -8.465 1.00 0.00 C ATOM 185 C VAL A 13 -1.183 -11.826 -7.437 1.00 0.00 C ATOM 186 O VAL A 13 -2.151 -11.297 -6.890 1.00 0.00 O ATOM 187 CB VAL A 13 1.136 -11.208 -8.136 1.00 0.00 C ATOM 188 CG1 VAL A 13 1.981 -10.864 -9.350 1.00 0.00 C ATOM 189 CG2 VAL A 13 1.509 -10.323 -6.955 1.00 0.00 C ATOM 0 H VAL A 13 -0.567 -9.145 -7.662 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.552 -11.488 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 13 1.332 -12.245 -7.863 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.037 -10.971 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.731 -11.538 -10.170 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.782 -9.836 -9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.571 -10.437 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.299 -9.282 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.925 -10.615 -6.082 1.00 0.00 H new ATOM 199 N ASP A 14 -0.801 -13.068 -7.180 1.00 0.00 N ATOM 200 CA ASP A 14 -1.493 -13.890 -6.208 1.00 0.00 C ATOM 201 C ASP A 14 -0.730 -13.874 -4.899 1.00 0.00 C ATOM 202 O ASP A 14 -1.323 -13.977 -3.826 1.00 0.00 O ATOM 203 CB ASP A 14 -1.647 -15.325 -6.716 1.00 0.00 C ATOM 204 CG ASP A 14 -2.547 -15.412 -7.930 1.00 0.00 C ATOM 205 OD1 ASP A 14 -2.054 -15.204 -9.063 1.00 0.00 O ATOM 206 OD2 ASP A 14 -3.753 -15.679 -7.765 1.00 0.00 O ATOM 0 H ASP A 14 -0.012 -13.527 -7.635 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.491 -13.482 -6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.665 -15.727 -6.965 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.054 -15.948 -5.920 1.00 0.00 H new ATOM 211 N GLU A 15 0.589 -13.732 -5.002 1.00 0.00 N ATOM 212 CA GLU A 15 1.458 -13.618 -3.835 1.00 0.00 C ATOM 213 C GLU A 15 2.716 -12.858 -4.187 1.00 0.00 C ATOM 214 O GLU A 15 2.933 -12.487 -5.338 1.00 0.00 O ATOM 215 CB GLU A 15 1.893 -14.979 -3.310 1.00 0.00 C ATOM 216 CG GLU A 15 0.762 -15.876 -2.883 1.00 0.00 C ATOM 217 CD GLU A 15 1.246 -17.228 -2.403 1.00 0.00 C ATOM 218 OE1 GLU A 15 1.890 -17.289 -1.335 1.00 0.00 O ATOM 219 OE2 GLU A 15 0.985 -18.237 -3.088 1.00 0.00 O ATOM 0 H GLU A 15 1.083 -13.693 -5.893 1.00 0.00 H new ATOM 0 HA GLU A 15 0.878 -13.098 -3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.469 -15.486 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.561 -14.830 -2.462 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.199 -15.391 -2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.076 -16.015 -3.719 1.00 0.00 H new ATOM 226 N LEU A 16 3.558 -12.661 -3.191 1.00 0.00 N ATOM 227 CA LEU A 16 4.859 -12.063 -3.407 1.00 0.00 C ATOM 228 C LEU A 16 5.843 -13.137 -3.830 1.00 0.00 C ATOM 229 O LEU A 16 5.704 -14.297 -3.439 1.00 0.00 O ATOM 230 CB LEU A 16 5.374 -11.385 -2.135 1.00 0.00 C ATOM 231 CG LEU A 16 4.474 -10.309 -1.533 1.00 0.00 C ATOM 232 CD1 LEU A 16 3.740 -9.545 -2.614 1.00 0.00 C ATOM 233 CD2 LEU A 16 3.503 -10.908 -0.540 1.00 0.00 C ATOM 0 H LEU A 16 3.362 -12.908 -2.221 1.00 0.00 H new ATOM 0 HA LEU A 16 4.762 -11.308 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.541 -12.154 -1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.344 -10.938 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 16 5.110 -9.604 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.106 -8.785 -2.156 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.462 -9.065 -3.275 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.122 -10.233 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.874 -10.120 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.877 -11.646 -1.043 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.057 -11.390 0.265 1.00 0.00 H new ATOM 245 N PRO A 17 6.840 -12.775 -4.642 1.00 0.00 N ATOM 246 CA PRO A 17 7.880 -13.711 -5.056 1.00 0.00 C ATOM 247 C PRO A 17 8.786 -14.091 -3.889 1.00 0.00 C ATOM 248 O PRO A 17 8.773 -13.440 -2.837 1.00 0.00 O ATOM 249 CB PRO A 17 8.657 -12.945 -6.127 1.00 0.00 C ATOM 250 CG PRO A 17 8.405 -11.509 -5.834 1.00 0.00 C ATOM 251 CD PRO A 17 7.035 -11.432 -5.221 1.00 0.00 C ATOM 0 HA PRO A 17 7.470 -14.652 -5.423 1.00 0.00 H new ATOM 0 HB2 PRO A 17 9.721 -13.176 -6.083 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.315 -13.209 -7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.158 -11.114 -5.152 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.456 -10.912 -6.745 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.980 -10.655 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.274 -11.202 -5.967 1.00 0.00 H new ATOM 259 N GLU A 18 9.561 -15.148 -4.072 1.00 0.00 N ATOM 260 CA GLU A 18 10.449 -15.636 -3.028 1.00 0.00 C ATOM 261 C GLU A 18 11.426 -14.550 -2.595 1.00 0.00 C ATOM 262 O GLU A 18 12.007 -13.846 -3.427 1.00 0.00 O ATOM 263 CB GLU A 18 11.195 -16.876 -3.512 1.00 0.00 C ATOM 264 CG GLU A 18 10.268 -18.043 -3.803 1.00 0.00 C ATOM 265 CD GLU A 18 10.998 -19.249 -4.343 1.00 0.00 C ATOM 266 OE1 GLU A 18 11.473 -20.071 -3.534 1.00 0.00 O ATOM 267 OE2 GLU A 18 11.105 -19.381 -5.581 1.00 0.00 O ATOM 0 H GLU A 18 9.593 -15.687 -4.938 1.00 0.00 H new ATOM 0 HA GLU A 18 9.848 -15.908 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.755 -16.629 -4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.922 -17.175 -2.757 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.743 -18.321 -2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.511 -17.730 -4.522 1.00 0.00 H new ATOM 274 N GLY A 19 11.599 -14.418 -1.291 1.00 0.00 N ATOM 275 CA GLY A 19 12.411 -13.349 -0.750 1.00 0.00 C ATOM 276 C GLY A 19 11.573 -12.319 -0.022 1.00 0.00 C ATOM 277 O GLY A 19 12.103 -11.385 0.578 1.00 0.00 O ATOM 0 H GLY A 19 11.188 -15.037 -0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.151 -13.765 -0.066 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.960 -12.865 -1.558 1.00 0.00 H new ATOM 281 N TYR A 20 10.257 -12.487 -0.084 1.00 0.00 N ATOM 282 CA TYR A 20 9.342 -11.599 0.619 1.00 0.00 C ATOM 283 C TYR A 20 8.735 -12.282 1.840 1.00 0.00 C ATOM 284 O TYR A 20 8.998 -13.457 2.105 1.00 0.00 O ATOM 285 CB TYR A 20 8.237 -11.116 -0.318 1.00 0.00 C ATOM 286 CG TYR A 20 8.691 -10.057 -1.296 1.00 0.00 C ATOM 287 CD1 TYR A 20 9.207 -10.395 -2.539 1.00 0.00 C ATOM 288 CD2 TYR A 20 8.603 -8.714 -0.968 1.00 0.00 C ATOM 289 CE1 TYR A 20 9.625 -9.421 -3.424 1.00 0.00 C ATOM 290 CE2 TYR A 20 9.020 -7.736 -1.847 1.00 0.00 C ATOM 291 CZ TYR A 20 9.530 -8.095 -3.073 1.00 0.00 C ATOM 292 OH TYR A 20 9.956 -7.125 -3.948 1.00 0.00 O ATOM 0 H TYR A 20 9.801 -13.230 -0.614 1.00 0.00 H new ATOM 0 HA TYR A 20 9.915 -10.738 0.963 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.846 -11.968 -0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.415 -10.720 0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 20 9.283 -11.435 -2.818 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.201 -8.428 -0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 20 10.025 -9.700 -4.388 1.00 0.00 H new ATOM 0 HE2 TYR A 20 8.946 -6.694 -1.574 1.00 0.00 H new ATOM 0 HH TYR A 20 9.180 -6.653 -4.316 1.00 0.00 H new ATOM 302 N ASP A 21 7.935 -11.529 2.587 1.00 0.00 N ATOM 303 CA ASP A 21 7.306 -12.034 3.801 1.00 0.00 C ATOM 304 C ASP A 21 5.820 -11.707 3.808 1.00 0.00 C ATOM 305 O ASP A 21 5.417 -10.591 4.151 1.00 0.00 O ATOM 306 CB ASP A 21 7.977 -11.433 5.041 1.00 0.00 C ATOM 307 CG ASP A 21 7.313 -11.865 6.336 1.00 0.00 C ATOM 308 OD1 ASP A 21 7.464 -13.041 6.728 1.00 0.00 O ATOM 309 OD2 ASP A 21 6.640 -11.027 6.974 1.00 0.00 O ATOM 0 H ASP A 21 7.706 -10.559 2.370 1.00 0.00 H new ATOM 0 HA ASP A 21 7.428 -13.117 3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.026 -11.728 5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.953 -10.346 4.971 1.00 0.00 H new ATOM 314 N ARG A 22 5.006 -12.668 3.404 1.00 0.00 N ATOM 315 CA ARG A 22 3.568 -12.482 3.397 1.00 0.00 C ATOM 316 C ARG A 22 2.958 -13.000 4.689 1.00 0.00 C ATOM 317 O ARG A 22 3.438 -13.976 5.265 1.00 0.00 O ATOM 318 CB ARG A 22 2.925 -13.182 2.196 1.00 0.00 C ATOM 319 CG ARG A 22 1.430 -12.934 2.105 1.00 0.00 C ATOM 320 CD ARG A 22 0.853 -13.312 0.754 1.00 0.00 C ATOM 321 NE ARG A 22 0.913 -14.747 0.499 1.00 0.00 N ATOM 322 CZ ARG A 22 -0.028 -15.610 0.889 1.00 0.00 C ATOM 323 NH1 ARG A 22 -1.092 -15.184 1.557 1.00 0.00 N ATOM 324 NH2 ARG A 22 0.088 -16.894 0.589 1.00 0.00 N ATOM 0 H ARG A 22 5.317 -13.583 3.077 1.00 0.00 H new ATOM 0 HA ARG A 22 3.371 -11.413 3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.403 -12.835 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.108 -14.254 2.265 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.924 -13.504 2.884 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.229 -11.881 2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.184 -12.980 0.701 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.397 -12.785 -0.030 1.00 0.00 H new ATOM 0 HE ARG A 22 1.720 -15.112 -0.006 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.194 -14.193 1.775 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.808 -15.848 1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.896 -17.223 0.060 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.630 -17.554 0.887 1.00 0.00 H new ATOM 338 N SER A 23 1.907 -12.337 5.139 1.00 0.00 N ATOM 339 CA SER A 23 1.213 -12.731 6.345 1.00 0.00 C ATOM 340 C SER A 23 -0.284 -12.788 6.063 1.00 0.00 C ATOM 341 O SER A 23 -0.993 -11.818 6.391 1.00 0.00 O ATOM 342 CB SER A 23 1.526 -11.739 7.476 1.00 0.00 C ATOM 343 OG SER A 23 0.969 -12.157 8.713 1.00 0.00 O ATOM 344 OXT SER A 23 -0.738 -13.792 5.473 1.00 0.00 O ATOM 0 H SER A 23 1.515 -11.515 4.679 1.00 0.00 H new ATOM 0 HA SER A 23 1.548 -13.719 6.662 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.606 -11.636 7.580 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.135 -10.755 7.215 1.00 0.00 H new ATOM 0 HG SER A 23 1.190 -11.503 9.409 1.00 0.00 H new TER 350 SER A 23 ATOM 351 N PRO B 24 -29.253 7.642 7.999 1.00 0.00 N ATOM 352 CA PRO B 24 -30.038 8.149 6.851 1.00 0.00 C ATOM 353 C PRO B 24 -29.216 8.136 5.563 1.00 0.00 C ATOM 354 O PRO B 24 -29.235 7.155 4.820 1.00 0.00 O ATOM 355 CB PRO B 24 -30.518 9.560 7.162 1.00 0.00 C ATOM 356 CG PRO B 24 -30.052 9.797 8.558 1.00 0.00 C ATOM 357 CD PRO B 24 -28.918 8.826 8.809 1.00 0.00 C ATOM 0 HA PRO B 24 -30.895 7.494 6.695 1.00 0.00 H new ATOM 0 HB2 PRO B 24 -30.094 10.288 6.470 1.00 0.00 H new ATOM 0 HB3 PRO B 24 -31.602 9.640 7.084 1.00 0.00 H new ATOM 0 HG2 PRO B 24 -29.715 10.826 8.684 1.00 0.00 H new ATOM 0 HG3 PRO B 24 -30.863 9.637 9.269 1.00 0.00 H new ATOM 0 HD2 PRO B 24 -27.960 9.251 8.511 1.00 0.00 H new ATOM 0 HD3 PRO B 24 -28.840 8.573 9.866 1.00 0.00 H new ATOM 367 N HIS B 25 -28.484 9.216 5.308 1.00 0.00 N ATOM 368 CA HIS B 25 -27.663 9.316 4.109 1.00 0.00 C ATOM 369 C HIS B 25 -26.264 8.801 4.418 1.00 0.00 C ATOM 370 O HIS B 25 -25.819 7.809 3.835 1.00 0.00 O ATOM 371 CB HIS B 25 -27.606 10.773 3.625 1.00 0.00 C ATOM 372 CG HIS B 25 -27.024 10.946 2.251 1.00 0.00 C ATOM 373 ND1 HIS B 25 -27.755 11.413 1.179 1.00 0.00 N ATOM 374 CD2 HIS B 25 -25.771 10.736 1.782 1.00 0.00 C ATOM 375 CE1 HIS B 25 -26.978 11.479 0.114 1.00 0.00 C ATOM 376 NE2 HIS B 25 -25.771 11.075 0.454 1.00 0.00 N ATOM 0 H HIS B 25 -28.443 10.034 5.916 1.00 0.00 H new ATOM 0 HA HIS B 25 -28.101 8.711 3.315 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -28.615 11.186 3.634 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -27.016 11.356 4.333 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -24.928 10.369 2.349 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -27.280 11.808 -0.869 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -24.966 11.023 -0.170 1.00 0.00 H new ATOM 385 N GLU B 26 -25.589 9.481 5.346 1.00 0.00 N ATOM 386 CA GLU B 26 -24.278 9.058 5.830 1.00 0.00 C ATOM 387 C GLU B 26 -23.268 8.965 4.687 1.00 0.00 C ATOM 388 O GLU B 26 -23.438 9.595 3.640 1.00 0.00 O ATOM 389 CB GLU B 26 -24.410 7.712 6.541 1.00 0.00 C ATOM 390 CG GLU B 26 -25.380 7.747 7.710 1.00 0.00 C ATOM 391 CD GLU B 26 -25.893 6.375 8.076 1.00 0.00 C ATOM 392 OE1 GLU B 26 -25.160 5.617 8.747 1.00 0.00 O ATOM 393 OE2 GLU B 26 -27.032 6.046 7.685 1.00 0.00 O ATOM 0 H GLU B 26 -25.935 10.336 5.780 1.00 0.00 H new ATOM 0 HA GLU B 26 -23.908 9.804 6.533 1.00 0.00 H new ATOM 0 HB2 GLU B 26 -24.741 6.960 5.824 1.00 0.00 H new ATOM 0 HB3 GLU B 26 -23.429 7.400 6.900 1.00 0.00 H new ATOM 0 HG2 GLU B 26 -24.886 8.189 8.575 1.00 0.00 H new ATOM 0 HG3 GLU B 26 -26.223 8.392 7.460 1.00 0.00 H new ATOM 400 N GLN B 27 -22.210 8.198 4.893 1.00 0.00 N ATOM 401 CA GLN B 27 -21.231 7.967 3.847 1.00 0.00 C ATOM 402 C GLN B 27 -21.719 6.846 2.939 1.00 0.00 C ATOM 403 O GLN B 27 -22.653 6.117 3.288 1.00 0.00 O ATOM 404 CB GLN B 27 -19.847 7.632 4.433 1.00 0.00 C ATOM 405 CG GLN B 27 -19.777 6.327 5.222 1.00 0.00 C ATOM 406 CD GLN B 27 -20.502 6.389 6.552 1.00 0.00 C ATOM 407 OE1 GLN B 27 -21.684 6.062 6.643 1.00 0.00 O ATOM 408 NE2 GLN B 27 -19.803 6.811 7.591 1.00 0.00 N ATOM 0 H GLN B 27 -22.008 7.726 5.774 1.00 0.00 H new ATOM 0 HA GLN B 27 -21.120 8.882 3.265 1.00 0.00 H new ATOM 0 HB2 GLN B 27 -19.126 7.584 3.617 1.00 0.00 H new ATOM 0 HB3 GLN B 27 -19.538 8.449 5.084 1.00 0.00 H new ATOM 0 HG2 GLN B 27 -20.204 5.524 4.621 1.00 0.00 H new ATOM 0 HG3 GLN B 27 -18.732 6.073 5.398 1.00 0.00 H new ATOM 0 HE21 GLN B 27 -18.824 7.073 7.475 1.00 0.00 H new ATOM 0 HE22 GLN B 27 -20.242 6.875 8.509 1.00 0.00 H new ATOM 417 N GLN B 28 -21.109 6.716 1.775 1.00 0.00 N ATOM 418 CA GLN B 28 -21.514 5.695 0.824 1.00 0.00 C ATOM 419 C GLN B 28 -21.166 4.304 1.335 1.00 0.00 C ATOM 420 O GLN B 28 -20.233 4.122 2.122 1.00 0.00 O ATOM 421 CB GLN B 28 -20.872 5.927 -0.544 1.00 0.00 C ATOM 422 CG GLN B 28 -21.653 6.872 -1.446 1.00 0.00 C ATOM 423 CD GLN B 28 -22.021 8.177 -0.771 1.00 0.00 C ATOM 424 OE1 GLN B 28 -23.090 8.300 -0.176 1.00 0.00 O ATOM 425 NE2 GLN B 28 -21.140 9.154 -0.849 1.00 0.00 N ATOM 0 H GLN B 28 -20.334 7.302 1.465 1.00 0.00 H new ATOM 0 HA GLN B 28 -22.596 5.764 0.713 1.00 0.00 H new ATOM 0 HB2 GLN B 28 -19.868 6.327 -0.399 1.00 0.00 H new ATOM 0 HB3 GLN B 28 -20.763 4.967 -1.049 1.00 0.00 H new ATOM 0 HG2 GLN B 28 -21.061 7.086 -2.336 1.00 0.00 H new ATOM 0 HG3 GLN B 28 -22.563 6.375 -1.780 1.00 0.00 H new ATOM 0 HE21 GLN B 28 -20.264 9.012 -1.352 1.00 0.00 H new ATOM 0 HE22 GLN B 28 -21.334 10.052 -0.406 1.00 0.00 H new ATOM 434 N GLU B 29 -21.927 3.328 0.875 1.00 0.00 N ATOM 435 CA GLU B 29 -21.767 1.948 1.313 1.00 0.00 C ATOM 436 C GLU B 29 -20.694 1.254 0.492 1.00 0.00 C ATOM 437 O GLU B 29 -20.125 0.247 0.912 1.00 0.00 O ATOM 438 CB GLU B 29 -23.092 1.198 1.182 1.00 0.00 C ATOM 439 CG GLU B 29 -23.666 1.224 -0.226 1.00 0.00 C ATOM 440 CD GLU B 29 -25.002 0.530 -0.319 1.00 0.00 C ATOM 441 OE1 GLU B 29 -25.990 1.067 0.222 1.00 0.00 O ATOM 442 OE2 GLU B 29 -25.075 -0.556 -0.933 1.00 0.00 O ATOM 0 H GLU B 29 -22.671 3.465 0.191 1.00 0.00 H new ATOM 0 HA GLU B 29 -21.462 1.948 2.359 1.00 0.00 H new ATOM 0 HB2 GLU B 29 -22.946 0.162 1.487 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -23.817 1.634 1.870 1.00 0.00 H new ATOM 0 HG2 GLU B 29 -23.774 2.259 -0.551 1.00 0.00 H new ATOM 0 HG3 GLU B 29 -22.964 0.747 -0.910 1.00 0.00 H new ATOM 449 N ASP B 30 -20.421 1.817 -0.674 1.00 0.00 N ATOM 450 CA ASP B 30 -19.450 1.257 -1.602 1.00 0.00 C ATOM 451 C ASP B 30 -18.046 1.757 -1.296 1.00 0.00 C ATOM 452 O ASP B 30 -17.080 1.355 -1.949 1.00 0.00 O ATOM 453 CB ASP B 30 -19.834 1.615 -3.037 1.00 0.00 C ATOM 454 CG ASP B 30 -20.036 3.103 -3.233 1.00 0.00 C ATOM 455 OD1 ASP B 30 -21.134 3.604 -2.911 1.00 0.00 O ATOM 456 OD2 ASP B 30 -19.105 3.780 -3.717 1.00 0.00 O ATOM 0 H ASP B 30 -20.865 2.674 -1.004 1.00 0.00 H new ATOM 0 HA ASP B 30 -19.455 0.173 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP B 30 -19.056 1.266 -3.715 1.00 0.00 H new ATOM 0 HB3 ASP B 30 -20.750 1.089 -3.306 1.00 0.00 H new ATOM 461 N VAL B 31 -17.941 2.632 -0.303 1.00 0.00 N ATOM 462 CA VAL B 31 -16.656 3.157 0.125 1.00 0.00 C ATOM 463 C VAL B 31 -15.783 2.040 0.677 1.00 0.00 C ATOM 464 O VAL B 31 -16.145 1.372 1.649 1.00 0.00 O ATOM 465 CB VAL B 31 -16.811 4.255 1.197 1.00 0.00 C ATOM 466 CG1 VAL B 31 -15.451 4.756 1.663 1.00 0.00 C ATOM 467 CG2 VAL B 31 -17.645 5.405 0.663 1.00 0.00 C ATOM 0 H VAL B 31 -18.738 2.993 0.222 1.00 0.00 H new ATOM 0 HA VAL B 31 -16.183 3.598 -0.752 1.00 0.00 H new ATOM 0 HB VAL B 31 -17.325 3.821 2.054 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -15.588 5.530 2.419 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -14.885 3.928 2.090 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -14.905 5.170 0.815 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -17.744 6.171 1.433 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -17.157 5.832 -0.213 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -18.634 5.039 0.386 1.00 0.00 H new ATOM 477 N PRO B 32 -14.633 1.811 0.048 1.00 0.00 N ATOM 478 CA PRO B 32 -13.689 0.800 0.494 1.00 0.00 C ATOM 479 C PRO B 32 -13.020 1.195 1.803 1.00 0.00 C ATOM 480 O PRO B 32 -12.491 2.300 1.940 1.00 0.00 O ATOM 481 CB PRO B 32 -12.666 0.737 -0.641 1.00 0.00 C ATOM 482 CG PRO B 32 -12.749 2.064 -1.310 1.00 0.00 C ATOM 483 CD PRO B 32 -14.170 2.525 -1.150 1.00 0.00 C ATOM 0 HA PRO B 32 -14.170 -0.158 0.692 1.00 0.00 H new ATOM 0 HB2 PRO B 32 -11.663 0.550 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO B 32 -12.897 -0.070 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO B 32 -12.056 2.773 -0.856 1.00 0.00 H new ATOM 0 HG3 PRO B 32 -12.481 1.986 -2.364 1.00 0.00 H new ATOM 0 HD2 PRO B 32 -14.229 3.606 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO B 32 -14.773 2.276 -2.023 1.00 0.00 H new ATOM 491 N GLU B 33 -13.046 0.288 2.758 1.00 0.00 N ATOM 492 CA GLU B 33 -12.433 0.523 4.043 1.00 0.00 C ATOM 493 C GLU B 33 -11.109 -0.214 4.105 1.00 0.00 C ATOM 494 O GLU B 33 -11.060 -1.424 4.328 1.00 0.00 O ATOM 495 CB GLU B 33 -13.365 0.078 5.172 1.00 0.00 C ATOM 496 CG GLU B 33 -12.790 0.306 6.557 1.00 0.00 C ATOM 497 CD GLU B 33 -13.812 0.114 7.654 1.00 0.00 C ATOM 498 OE1 GLU B 33 -14.524 1.086 7.986 1.00 0.00 O ATOM 499 OE2 GLU B 33 -13.905 -1.003 8.204 1.00 0.00 O ATOM 0 H GLU B 33 -13.490 -0.625 2.664 1.00 0.00 H new ATOM 0 HA GLU B 33 -12.250 1.590 4.170 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -14.309 0.616 5.086 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -13.590 -0.982 5.051 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -11.958 -0.380 6.718 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -12.386 1.317 6.616 1.00 0.00 H new ATOM 506 N TYR B 34 -10.042 0.515 3.849 1.00 0.00 N ATOM 507 CA TYR B 34 -8.713 -0.056 3.862 1.00 0.00 C ATOM 508 C TYR B 34 -8.165 -0.113 5.279 1.00 0.00 C ATOM 509 O TYR B 34 -8.485 0.732 6.119 1.00 0.00 O ATOM 510 CB TYR B 34 -7.780 0.755 2.969 1.00 0.00 C ATOM 511 CG TYR B 34 -8.172 0.747 1.508 1.00 0.00 C ATOM 512 CD1 TYR B 34 -8.022 -0.399 0.740 1.00 0.00 C ATOM 513 CD2 TYR B 34 -8.689 1.884 0.898 1.00 0.00 C ATOM 514 CE1 TYR B 34 -8.375 -0.416 -0.593 1.00 0.00 C ATOM 515 CE2 TYR B 34 -9.046 1.877 -0.438 1.00 0.00 C ATOM 516 CZ TYR B 34 -8.887 0.724 -1.179 1.00 0.00 C ATOM 517 OH TYR B 34 -9.247 0.710 -2.508 1.00 0.00 O ATOM 0 H TYR B 34 -10.071 1.510 3.628 1.00 0.00 H new ATOM 0 HA TYR B 34 -8.774 -1.073 3.476 1.00 0.00 H new ATOM 0 HB2 TYR B 34 -7.758 1.785 3.324 1.00 0.00 H new ATOM 0 HB3 TYR B 34 -6.768 0.363 3.066 1.00 0.00 H new ATOM 0 HD1 TYR B 34 -7.622 -1.293 1.194 1.00 0.00 H new ATOM 0 HD2 TYR B 34 -8.814 2.787 1.477 1.00 0.00 H new ATOM 0 HE1 TYR B 34 -8.251 -1.317 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR B 34 -9.447 2.768 -0.898 1.00 0.00 H new ATOM 0 HH TYR B 34 -8.579 0.210 -3.023 1.00 0.00 H new ATOM 527 N GLU B 35 -7.352 -1.117 5.537 1.00 0.00 N ATOM 528 CA GLU B 35 -6.733 -1.293 6.833 1.00 0.00 C ATOM 529 C GLU B 35 -5.220 -1.266 6.675 1.00 0.00 C ATOM 530 O GLU B 35 -4.647 -2.133 6.018 1.00 0.00 O ATOM 531 CB GLU B 35 -7.181 -2.614 7.454 1.00 0.00 C ATOM 532 CG GLU B 35 -6.752 -2.790 8.899 1.00 0.00 C ATOM 533 CD GLU B 35 -7.086 -4.163 9.438 1.00 0.00 C ATOM 534 OE1 GLU B 35 -8.226 -4.366 9.909 1.00 0.00 O ATOM 535 OE2 GLU B 35 -6.209 -5.049 9.395 1.00 0.00 O ATOM 0 H GLU B 35 -7.103 -1.833 4.854 1.00 0.00 H new ATOM 0 HA GLU B 35 -7.038 -0.483 7.495 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -8.267 -2.681 7.397 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -6.779 -3.437 6.863 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -5.678 -2.623 8.979 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -7.239 -2.033 9.514 1.00 0.00 H new ATOM 542 N VAL B 36 -4.594 -0.253 7.250 1.00 0.00 N ATOM 543 CA VAL B 36 -3.150 -0.076 7.151 1.00 0.00 C ATOM 544 C VAL B 36 -2.428 -0.687 8.349 1.00 0.00 C ATOM 545 O VAL B 36 -2.718 -0.360 9.502 1.00 0.00 O ATOM 546 CB VAL B 36 -2.773 1.417 7.050 1.00 0.00 C ATOM 547 CG1 VAL B 36 -1.262 1.590 6.971 1.00 0.00 C ATOM 548 CG2 VAL B 36 -3.451 2.061 5.851 1.00 0.00 C ATOM 0 H VAL B 36 -5.066 0.467 7.796 1.00 0.00 H new ATOM 0 HA VAL B 36 -2.835 -0.590 6.243 1.00 0.00 H new ATOM 0 HB VAL B 36 -3.124 1.918 7.952 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.020 2.651 6.900 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -0.801 1.171 7.865 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -0.882 1.072 6.090 1.00 0.00 H new ATOM 0 HG21 VAL B 36 -3.172 3.113 5.797 1.00 0.00 H new ATOM 0 HG22 VAL B 36 -3.135 1.555 4.939 1.00 0.00 H new ATOM 0 HG23 VAL B 36 -4.533 1.977 5.956 1.00 0.00 H new ATOM 558 N LYS B 37 -1.479 -1.568 8.065 1.00 0.00 N ATOM 559 CA LYS B 37 -0.667 -2.187 9.097 1.00 0.00 C ATOM 560 C LYS B 37 0.794 -1.906 8.793 1.00 0.00 C ATOM 561 O LYS B 37 1.192 -1.888 7.630 1.00 0.00 O ATOM 562 CB LYS B 37 -0.909 -3.704 9.178 1.00 0.00 C ATOM 563 CG LYS B 37 -2.367 -4.102 9.387 1.00 0.00 C ATOM 564 CD LYS B 37 -3.162 -4.026 8.094 1.00 0.00 C ATOM 565 CE LYS B 37 -3.319 -5.385 7.436 1.00 0.00 C ATOM 566 NZ LYS B 37 -4.187 -6.288 8.232 1.00 0.00 N ATOM 0 H LYS B 37 -1.253 -1.871 7.118 1.00 0.00 H new ATOM 0 HA LYS B 37 -0.943 -1.765 10.063 1.00 0.00 H new ATOM 0 HB2 LYS B 37 -0.547 -4.166 8.259 1.00 0.00 H new ATOM 0 HB3 LYS B 37 -0.314 -4.111 9.995 1.00 0.00 H new ATOM 0 HG2 LYS B 37 -2.414 -5.116 9.784 1.00 0.00 H new ATOM 0 HG3 LYS B 37 -2.820 -3.447 10.131 1.00 0.00 H new ATOM 0 HD2 LYS B 37 -4.147 -3.608 8.300 1.00 0.00 H new ATOM 0 HD3 LYS B 37 -2.665 -3.345 7.403 1.00 0.00 H new ATOM 0 HE2 LYS B 37 -3.743 -5.259 6.440 1.00 0.00 H new ATOM 0 HE3 LYS B 37 -2.338 -5.843 7.310 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 -4.838 -6.793 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 -3.597 -6.976 8.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 -4.736 -5.728 8.916 1.00 0.00 H new ATOM 580 N MET B 38 1.582 -1.672 9.823 1.00 0.00 N ATOM 581 CA MET B 38 2.970 -1.276 9.635 1.00 0.00 C ATOM 582 C MET B 38 3.898 -2.183 10.434 1.00 0.00 C ATOM 583 O MET B 38 3.609 -2.515 11.582 1.00 0.00 O ATOM 584 CB MET B 38 3.146 0.176 10.057 1.00 0.00 C ATOM 585 CG MET B 38 3.988 0.970 9.084 1.00 0.00 C ATOM 586 SD MET B 38 3.526 2.706 9.011 1.00 0.00 S ATOM 587 CE MET B 38 4.361 3.165 7.501 1.00 0.00 C ATOM 0 H MET B 38 1.290 -1.748 10.797 1.00 0.00 H new ATOM 0 HA MET B 38 3.229 -1.374 8.581 1.00 0.00 H new ATOM 0 HB2 MET B 38 2.166 0.644 10.149 1.00 0.00 H new ATOM 0 HB3 MET B 38 3.609 0.210 11.043 1.00 0.00 H new ATOM 0 HG2 MET B 38 5.037 0.890 9.370 1.00 0.00 H new ATOM 0 HG3 MET B 38 3.895 0.533 8.090 1.00 0.00 H new ATOM 0 HE1 MET B 38 5.059 3.977 7.704 1.00 0.00 H new ATOM 0 HE2 MET B 38 4.907 2.306 7.111 1.00 0.00 H new ATOM 0 HE3 MET B 38 3.627 3.493 6.765 1.00 0.00 H new ATOM 597 N LYS B 39 5.012 -2.580 9.832 1.00 0.00 N ATOM 598 CA LYS B 39 5.919 -3.524 10.475 1.00 0.00 C ATOM 599 C LYS B 39 7.367 -3.204 10.108 1.00 0.00 C ATOM 600 O LYS B 39 7.684 -2.984 8.940 1.00 0.00 O ATOM 601 CB LYS B 39 5.554 -4.957 10.054 1.00 0.00 C ATOM 602 CG LYS B 39 5.927 -6.030 11.072 1.00 0.00 C ATOM 603 CD LYS B 39 7.420 -6.313 11.094 1.00 0.00 C ATOM 604 CE LYS B 39 7.796 -7.234 12.241 1.00 0.00 C ATOM 605 NZ LYS B 39 9.261 -7.476 12.302 1.00 0.00 N ATOM 0 H LYS B 39 5.308 -2.267 8.908 1.00 0.00 H new ATOM 0 HA LYS B 39 5.819 -3.439 11.557 1.00 0.00 H new ATOM 0 HB2 LYS B 39 4.481 -5.006 9.870 1.00 0.00 H new ATOM 0 HB3 LYS B 39 6.050 -5.182 9.110 1.00 0.00 H new ATOM 0 HG2 LYS B 39 5.605 -5.713 12.064 1.00 0.00 H new ATOM 0 HG3 LYS B 39 5.389 -6.949 10.841 1.00 0.00 H new ATOM 0 HD2 LYS B 39 7.719 -6.767 10.149 1.00 0.00 H new ATOM 0 HD3 LYS B 39 7.968 -5.375 11.185 1.00 0.00 H new ATOM 0 HE2 LYS B 39 7.461 -6.797 13.182 1.00 0.00 H new ATOM 0 HE3 LYS B 39 7.276 -8.185 12.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 9.519 -7.809 13.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 9.523 -8.197 11.600 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 9.768 -6.592 12.096 1.00 0.00 H new ATOM 619 N ARG B 40 8.234 -3.176 11.112 1.00 0.00 N ATOM 620 CA ARG B 40 9.641 -2.838 10.912 1.00 0.00 C ATOM 621 C ARG B 40 10.486 -4.087 10.692 1.00 0.00 C ATOM 622 O ARG B 40 10.282 -5.111 11.343 1.00 0.00 O ATOM 623 CB ARG B 40 10.190 -2.057 12.116 1.00 0.00 C ATOM 624 CG ARG B 40 9.789 -0.586 12.153 1.00 0.00 C ATOM 625 CD ARG B 40 8.287 -0.398 12.290 1.00 0.00 C ATOM 626 NE ARG B 40 7.761 -0.977 13.525 1.00 0.00 N ATOM 627 CZ ARG B 40 6.517 -0.789 13.969 1.00 0.00 C ATOM 628 NH1 ARG B 40 5.672 -0.015 13.296 1.00 0.00 N ATOM 629 NH2 ARG B 40 6.125 -1.372 15.093 1.00 0.00 N ATOM 0 H ARG B 40 7.987 -3.384 12.080 1.00 0.00 H new ATOM 0 HA ARG B 40 9.700 -2.214 10.020 1.00 0.00 H new ATOM 0 HB2 ARG B 40 9.846 -2.537 13.032 1.00 0.00 H new ATOM 0 HB3 ARG B 40 11.278 -2.124 12.111 1.00 0.00 H new ATOM 0 HG2 ARG B 40 10.291 -0.096 12.987 1.00 0.00 H new ATOM 0 HG3 ARG B 40 10.132 -0.096 11.242 1.00 0.00 H new ATOM 0 HD2 ARG B 40 8.053 0.666 12.263 1.00 0.00 H new ATOM 0 HD3 ARG B 40 7.787 -0.856 11.436 1.00 0.00 H new ATOM 0 HE ARG B 40 8.384 -1.561 14.082 1.00 0.00 H new ATOM 0 HH11 ARG B 40 5.973 0.440 12.434 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.722 0.124 13.641 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.774 -1.962 15.615 1.00 0.00 H new ATOM 0 HH22 ARG B 40 5.175 -1.231 15.436 1.00 0.00 H new ATOM 643 N PHE B 41 11.426 -3.993 9.766 1.00 0.00 N ATOM 644 CA PHE B 41 12.359 -5.078 9.491 1.00 0.00 C ATOM 645 C PHE B 41 13.791 -4.606 9.690 1.00 0.00 C ATOM 646 O PHE B 41 14.046 -3.406 9.827 1.00 0.00 O ATOM 647 CB PHE B 41 12.191 -5.603 8.061 1.00 0.00 C ATOM 648 CG PHE B 41 11.008 -6.509 7.872 1.00 0.00 C ATOM 649 CD1 PHE B 41 9.715 -6.019 7.944 1.00 0.00 C ATOM 650 CD2 PHE B 41 11.196 -7.859 7.622 1.00 0.00 C ATOM 651 CE1 PHE B 41 8.632 -6.858 7.772 1.00 0.00 C ATOM 652 CE2 PHE B 41 10.115 -8.703 7.450 1.00 0.00 C ATOM 653 CZ PHE B 41 8.831 -8.201 7.523 1.00 0.00 C ATOM 0 H PHE B 41 11.565 -3.167 9.185 1.00 0.00 H new ATOM 0 HA PHE B 41 12.141 -5.887 10.188 1.00 0.00 H new ATOM 0 HB2 PHE B 41 12.096 -4.755 7.383 1.00 0.00 H new ATOM 0 HB3 PHE B 41 13.095 -6.140 7.775 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.552 -4.969 8.137 1.00 0.00 H new ATOM 0 HD2 PHE B 41 12.198 -8.256 7.561 1.00 0.00 H new ATOM 0 HE1 PHE B 41 7.629 -6.463 7.832 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.275 -9.754 7.259 1.00 0.00 H new ATOM 0 HZ PHE B 41 7.984 -8.857 7.386 1.00 0.00 H new ATOM 663 N LYS B 42 14.718 -5.551 9.720 1.00 0.00 N ATOM 664 CA LYS B 42 16.131 -5.232 9.825 1.00 0.00 C ATOM 665 C LYS B 42 16.968 -6.376 9.268 1.00 0.00 C ATOM 666 O LYS B 42 16.997 -7.469 9.834 1.00 0.00 O ATOM 667 CB LYS B 42 16.515 -4.954 11.282 1.00 0.00 C ATOM 668 CG LYS B 42 17.924 -4.406 11.452 1.00 0.00 C ATOM 669 CD LYS B 42 18.091 -3.066 10.749 1.00 0.00 C ATOM 670 CE LYS B 42 19.498 -2.513 10.916 1.00 0.00 C ATOM 671 NZ LYS B 42 19.836 -2.257 12.341 1.00 0.00 N ATOM 0 H LYS B 42 14.514 -6.549 9.673 1.00 0.00 H new ATOM 0 HA LYS B 42 16.328 -4.333 9.241 1.00 0.00 H new ATOM 0 HB2 LYS B 42 15.805 -4.243 11.706 1.00 0.00 H new ATOM 0 HB3 LYS B 42 16.423 -5.877 11.855 1.00 0.00 H new ATOM 0 HG2 LYS B 42 18.145 -4.291 12.513 1.00 0.00 H new ATOM 0 HG3 LYS B 42 18.644 -5.120 11.052 1.00 0.00 H new ATOM 0 HD2 LYS B 42 17.869 -3.182 9.688 1.00 0.00 H new ATOM 0 HD3 LYS B 42 17.370 -2.353 11.149 1.00 0.00 H new ATOM 0 HE2 LYS B 42 20.216 -3.217 10.495 1.00 0.00 H new ATOM 0 HE3 LYS B 42 19.592 -1.586 10.350 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 20.721 -1.713 12.396 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 19.068 -1.716 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 19.956 -3.163 12.838 1.00 0.00 H new ATOM 685 N GLY B 43 17.631 -6.126 8.149 1.00 0.00 N ATOM 686 CA GLY B 43 18.459 -7.145 7.535 1.00 0.00 C ATOM 687 C GLY B 43 17.739 -7.863 6.414 1.00 0.00 C ATOM 688 O GLY B 43 18.149 -8.945 5.990 1.00 0.00 O ATOM 0 H GLY B 43 17.611 -5.234 7.654 1.00 0.00 H new ATOM 0 HA2 GLY B 43 19.369 -6.687 7.147 1.00 0.00 H new ATOM 0 HA3 GLY B 43 18.764 -7.868 8.291 1.00 0.00 H new ATOM 692 N ALA B 44 16.662 -7.261 5.940 1.00 0.00 N ATOM 693 CA ALA B 44 15.878 -7.827 4.856 1.00 0.00 C ATOM 694 C ALA B 44 15.948 -6.928 3.632 1.00 0.00 C ATOM 695 O ALA B 44 16.490 -5.822 3.701 1.00 0.00 O ATOM 696 CB ALA B 44 14.435 -8.027 5.292 1.00 0.00 C ATOM 0 H ALA B 44 16.308 -6.372 6.293 1.00 0.00 H new ATOM 0 HA ALA B 44 16.294 -8.800 4.595 1.00 0.00 H new ATOM 0 HB1 ALA B 44 13.862 -8.452 4.468 1.00 0.00 H new ATOM 0 HB2 ALA B 44 14.403 -8.706 6.144 1.00 0.00 H new ATOM 0 HB3 ALA B 44 14.005 -7.067 5.577 1.00 0.00 H new ATOM 702 N ALA B 45 15.412 -7.399 2.514 1.00 0.00 N ATOM 703 CA ALA B 45 15.387 -6.611 1.286 1.00 0.00 C ATOM 704 C ALA B 45 14.558 -5.341 1.471 1.00 0.00 C ATOM 705 O ALA B 45 14.696 -4.375 0.718 1.00 0.00 O ATOM 706 CB ALA B 45 14.838 -7.447 0.140 1.00 0.00 C ATOM 0 H ALA B 45 14.988 -8.323 2.431 1.00 0.00 H new ATOM 0 HA ALA B 45 16.408 -6.314 1.045 1.00 0.00 H new ATOM 0 HB1 ALA B 45 14.824 -6.850 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA B 45 15.472 -8.321 -0.009 1.00 0.00 H new ATOM 0 HB3 ALA B 45 13.825 -7.770 0.378 1.00 0.00 H new ATOM 712 N TYR B 46 13.720 -5.354 2.494 1.00 0.00 N ATOM 713 CA TYR B 46 12.855 -4.241 2.826 1.00 0.00 C ATOM 714 C TYR B 46 12.998 -3.935 4.310 1.00 0.00 C ATOM 715 O TYR B 46 13.262 -4.833 5.109 1.00 0.00 O ATOM 716 CB TYR B 46 11.405 -4.585 2.469 1.00 0.00 C ATOM 717 CG TYR B 46 11.073 -6.038 2.704 1.00 0.00 C ATOM 718 CD1 TYR B 46 10.853 -6.522 3.983 1.00 0.00 C ATOM 719 CD2 TYR B 46 11.017 -6.934 1.643 1.00 0.00 C ATOM 720 CE1 TYR B 46 10.581 -7.855 4.202 1.00 0.00 C ATOM 721 CE2 TYR B 46 10.753 -8.271 1.855 1.00 0.00 C ATOM 722 CZ TYR B 46 10.534 -8.724 3.137 1.00 0.00 C ATOM 723 OH TYR B 46 10.279 -10.054 3.358 1.00 0.00 O ATOM 0 H TYR B 46 13.622 -6.150 3.124 1.00 0.00 H new ATOM 0 HA TYR B 46 13.139 -3.358 2.254 1.00 0.00 H new ATOM 0 HB2 TYR B 46 10.733 -3.963 3.061 1.00 0.00 H new ATOM 0 HB3 TYR B 46 11.226 -4.341 1.422 1.00 0.00 H new ATOM 0 HD1 TYR B 46 10.895 -5.844 4.822 1.00 0.00 H new ATOM 0 HD2 TYR B 46 11.183 -6.578 0.637 1.00 0.00 H new ATOM 0 HE1 TYR B 46 10.406 -8.216 5.205 1.00 0.00 H new ATOM 0 HE2 TYR B 46 10.718 -8.958 1.022 1.00 0.00 H new ATOM 0 HH TYR B 46 10.619 -10.310 4.241 1.00 0.00 H new ATOM 733 N LYS B 47 12.858 -2.676 4.668 1.00 0.00 N ATOM 734 CA LYS B 47 13.022 -2.250 6.050 1.00 0.00 C ATOM 735 C LYS B 47 11.665 -2.002 6.675 1.00 0.00 C ATOM 736 O LYS B 47 11.520 -1.982 7.896 1.00 0.00 O ATOM 737 CB LYS B 47 13.869 -0.974 6.149 1.00 0.00 C ATOM 738 CG LYS B 47 15.317 -1.127 5.689 1.00 0.00 C ATOM 739 CD LYS B 47 15.428 -1.305 4.180 1.00 0.00 C ATOM 740 CE LYS B 47 14.924 -0.086 3.422 1.00 0.00 C ATOM 741 NZ LYS B 47 14.830 -0.351 1.967 1.00 0.00 N ATOM 0 H LYS B 47 12.630 -1.922 4.020 1.00 0.00 H new ATOM 0 HA LYS B 47 13.540 -3.046 6.585 1.00 0.00 H new ATOM 0 HB2 LYS B 47 13.395 -0.193 5.554 1.00 0.00 H new ATOM 0 HB3 LYS B 47 13.866 -0.633 7.184 1.00 0.00 H new ATOM 0 HG2 LYS B 47 15.887 -0.249 5.992 1.00 0.00 H new ATOM 0 HG3 LYS B 47 15.766 -1.986 6.188 1.00 0.00 H new ATOM 0 HD2 LYS B 47 16.468 -1.493 3.913 1.00 0.00 H new ATOM 0 HD3 LYS B 47 14.857 -2.182 3.876 1.00 0.00 H new ATOM 0 HE2 LYS B 47 13.945 0.202 3.804 1.00 0.00 H new ATOM 0 HE3 LYS B 47 15.595 0.755 3.597 1.00 0.00 H new ATOM 0 HZ1 LYS B 47 14.565 0.524 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS B 47 15.750 -0.684 1.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 47 14.109 -1.080 1.793 1.00 0.00 H new ATOM 755 N LEU B 48 10.675 -1.801 5.827 1.00 0.00 N ATOM 756 CA LEU B 48 9.328 -1.549 6.291 1.00 0.00 C ATOM 757 C LEU B 48 8.323 -2.351 5.473 1.00 0.00 C ATOM 758 O LEU B 48 8.401 -2.402 4.244 1.00 0.00 O ATOM 759 CB LEU B 48 9.014 -0.050 6.208 1.00 0.00 C ATOM 760 CG LEU B 48 8.259 0.541 7.407 1.00 0.00 C ATOM 761 CD1 LEU B 48 6.920 -0.139 7.606 1.00 0.00 C ATOM 762 CD2 LEU B 48 9.085 0.433 8.675 1.00 0.00 C ATOM 0 H LEU B 48 10.780 -1.808 4.812 1.00 0.00 H new ATOM 0 HA LEU B 48 9.252 -1.865 7.331 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.952 0.493 6.090 1.00 0.00 H new ATOM 0 HB3 LEU B 48 8.426 0.130 5.308 1.00 0.00 H new ATOM 0 HG LEU B 48 8.082 1.594 7.190 1.00 0.00 H new ATOM 0 HD11 LEU B 48 6.411 0.303 8.463 1.00 0.00 H new ATOM 0 HD12 LEU B 48 6.309 -0.007 6.713 1.00 0.00 H new ATOM 0 HD13 LEU B 48 7.075 -1.203 7.785 1.00 0.00 H new ATOM 0 HD21 LEU B 48 8.528 0.859 9.510 1.00 0.00 H new ATOM 0 HD22 LEU B 48 9.301 -0.615 8.880 1.00 0.00 H new ATOM 0 HD23 LEU B 48 10.020 0.978 8.548 1.00 0.00 H new ATOM 774 N ARG B 49 7.401 -2.995 6.168 1.00 0.00 N ATOM 775 CA ARG B 49 6.328 -3.741 5.533 1.00 0.00 C ATOM 776 C ARG B 49 4.993 -3.098 5.877 1.00 0.00 C ATOM 777 O ARG B 49 4.600 -3.061 7.042 1.00 0.00 O ATOM 778 CB ARG B 49 6.335 -5.191 6.017 1.00 0.00 C ATOM 779 CG ARG B 49 5.336 -6.086 5.301 1.00 0.00 C ATOM 780 CD ARG B 49 5.130 -7.397 6.045 1.00 0.00 C ATOM 781 NE ARG B 49 4.400 -7.203 7.301 1.00 0.00 N ATOM 782 CZ ARG B 49 4.308 -8.117 8.268 1.00 0.00 C ATOM 783 NH1 ARG B 49 4.927 -9.287 8.153 1.00 0.00 N ATOM 784 NH2 ARG B 49 3.594 -7.860 9.356 1.00 0.00 N ATOM 0 H ARG B 49 7.375 -3.016 7.187 1.00 0.00 H new ATOM 0 HA ARG B 49 6.476 -3.727 4.453 1.00 0.00 H new ATOM 0 HB2 ARG B 49 7.336 -5.603 5.885 1.00 0.00 H new ATOM 0 HB3 ARG B 49 6.122 -5.208 7.086 1.00 0.00 H new ATOM 0 HG2 ARG B 49 4.383 -5.566 5.206 1.00 0.00 H new ATOM 0 HG3 ARG B 49 5.689 -6.291 4.290 1.00 0.00 H new ATOM 0 HD2 ARG B 49 4.582 -8.093 5.410 1.00 0.00 H new ATOM 0 HD3 ARG B 49 6.098 -7.852 6.254 1.00 0.00 H new ATOM 0 HE ARG B 49 3.931 -6.309 7.445 1.00 0.00 H new ATOM 0 HH11 ARG B 49 5.478 -9.492 7.320 1.00 0.00 H new ATOM 0 HH12 ARG B 49 4.851 -9.980 8.898 1.00 0.00 H new ATOM 0 HH21 ARG B 49 3.116 -6.964 9.452 1.00 0.00 H new ATOM 0 HH22 ARG B 49 3.523 -8.558 10.096 1.00 0.00 H new ATOM 798 N ILE B 50 4.307 -2.579 4.875 1.00 0.00 N ATOM 799 CA ILE B 50 3.022 -1.932 5.095 1.00 0.00 C ATOM 800 C ILE B 50 1.934 -2.738 4.408 1.00 0.00 C ATOM 801 O ILE B 50 2.078 -3.134 3.252 1.00 0.00 O ATOM 802 CB ILE B 50 2.974 -0.464 4.581 1.00 0.00 C ATOM 803 CG1 ILE B 50 4.129 0.387 5.129 1.00 0.00 C ATOM 804 CG2 ILE B 50 1.654 0.182 4.976 1.00 0.00 C ATOM 805 CD1 ILE B 50 5.487 0.075 4.540 1.00 0.00 C ATOM 0 H ILE B 50 4.615 -2.592 3.903 1.00 0.00 H new ATOM 0 HA ILE B 50 2.866 -1.895 6.173 1.00 0.00 H new ATOM 0 HB ILE B 50 3.071 -0.504 3.496 1.00 0.00 H new ATOM 0 HG12 ILE B 50 3.904 1.438 4.948 1.00 0.00 H new ATOM 0 HG13 ILE B 50 4.179 0.253 6.210 1.00 0.00 H new ATOM 0 HG21 ILE B 50 1.629 1.209 4.612 1.00 0.00 H new ATOM 0 HG22 ILE B 50 0.829 -0.379 4.537 1.00 0.00 H new ATOM 0 HG23 ILE B 50 1.558 0.179 6.062 1.00 0.00 H new ATOM 0 HD11 ILE B 50 6.237 0.727 4.989 1.00 0.00 H new ATOM 0 HD12 ILE B 50 5.742 -0.965 4.743 1.00 0.00 H new ATOM 0 HD13 ILE B 50 5.463 0.238 3.463 1.00 0.00 H new ATOM 817 N LEU B 51 0.862 -3.004 5.129 1.00 0.00 N ATOM 818 CA LEU B 51 -0.230 -3.795 4.604 1.00 0.00 C ATOM 819 C LEU B 51 -1.477 -2.949 4.500 1.00 0.00 C ATOM 820 O LEU B 51 -1.911 -2.361 5.485 1.00 0.00 O ATOM 821 CB LEU B 51 -0.498 -5.003 5.504 1.00 0.00 C ATOM 822 CG LEU B 51 0.251 -6.285 5.147 1.00 0.00 C ATOM 823 CD1 LEU B 51 -0.167 -6.765 3.776 1.00 0.00 C ATOM 824 CD2 LEU B 51 1.754 -6.076 5.201 1.00 0.00 C ATOM 0 H LEU B 51 0.725 -2.680 6.087 1.00 0.00 H new ATOM 0 HA LEU B 51 0.047 -4.152 3.612 1.00 0.00 H new ATOM 0 HB2 LEU B 51 -0.244 -4.731 6.528 1.00 0.00 H new ATOM 0 HB3 LEU B 51 -1.567 -5.214 5.486 1.00 0.00 H new ATOM 0 HG LEU B 51 -0.006 -7.047 5.883 1.00 0.00 H new ATOM 0 HD11 LEU B 51 0.373 -7.680 3.531 1.00 0.00 H new ATOM 0 HD12 LEU B 51 -1.239 -6.964 3.771 1.00 0.00 H new ATOM 0 HD13 LEU B 51 0.063 -5.998 3.036 1.00 0.00 H new ATOM 0 HD21 LEU B 51 2.260 -7.006 4.942 1.00 0.00 H new ATOM 0 HD22 LEU B 51 2.039 -5.298 4.492 1.00 0.00 H new ATOM 0 HD23 LEU B 51 2.043 -5.773 6.207 1.00 0.00 H new ATOM 836 N ILE B 52 -2.030 -2.863 3.306 1.00 0.00 N ATOM 837 CA ILE B 52 -3.275 -2.144 3.103 1.00 0.00 C ATOM 838 C ILE B 52 -4.280 -3.046 2.403 1.00 0.00 C ATOM 839 O ILE B 52 -4.182 -3.282 1.201 1.00 0.00 O ATOM 840 CB ILE B 52 -3.089 -0.855 2.265 1.00 0.00 C ATOM 841 CG1 ILE B 52 -1.982 0.029 2.844 1.00 0.00 C ATOM 842 CG2 ILE B 52 -4.395 -0.079 2.198 1.00 0.00 C ATOM 843 CD1 ILE B 52 -0.604 -0.295 2.311 1.00 0.00 C ATOM 0 H ILE B 52 -1.638 -3.281 2.462 1.00 0.00 H new ATOM 0 HA ILE B 52 -3.637 -1.851 4.088 1.00 0.00 H new ATOM 0 HB ILE B 52 -2.795 -1.149 1.258 1.00 0.00 H new ATOM 0 HG12 ILE B 52 -2.210 1.072 2.625 1.00 0.00 H new ATOM 0 HG13 ILE B 52 -1.976 -0.075 3.929 1.00 0.00 H new ATOM 0 HG21 ILE B 52 -4.251 0.825 1.606 1.00 0.00 H new ATOM 0 HG22 ILE B 52 -5.163 -0.698 1.734 1.00 0.00 H new ATOM 0 HG23 ILE B 52 -4.709 0.193 3.206 1.00 0.00 H new ATOM 0 HD11 ILE B 52 0.128 0.372 2.766 1.00 0.00 H new ATOM 0 HD12 ILE B 52 -0.354 -1.328 2.553 1.00 0.00 H new ATOM 0 HD13 ILE B 52 -0.592 -0.163 1.229 1.00 0.00 H new ATOM 855 N GLU B 53 -5.234 -3.562 3.153 1.00 0.00 N ATOM 856 CA GLU B 53 -6.231 -4.450 2.579 1.00 0.00 C ATOM 857 C GLU B 53 -7.601 -3.797 2.604 1.00 0.00 C ATOM 858 O GLU B 53 -7.878 -2.934 3.436 1.00 0.00 O ATOM 859 CB GLU B 53 -6.264 -5.793 3.315 1.00 0.00 C ATOM 860 CG GLU B 53 -6.807 -5.719 4.726 1.00 0.00 C ATOM 861 CD GLU B 53 -6.666 -7.035 5.464 1.00 0.00 C ATOM 862 OE1 GLU B 53 -7.433 -7.974 5.168 1.00 0.00 O ATOM 863 OE2 GLU B 53 -5.776 -7.147 6.329 1.00 0.00 O ATOM 0 H GLU B 53 -5.341 -3.385 4.152 1.00 0.00 H new ATOM 0 HA GLU B 53 -5.954 -4.641 1.542 1.00 0.00 H new ATOM 0 HB2 GLU B 53 -6.871 -6.493 2.741 1.00 0.00 H new ATOM 0 HB3 GLU B 53 -5.253 -6.200 3.348 1.00 0.00 H new ATOM 0 HG2 GLU B 53 -6.281 -4.938 5.275 1.00 0.00 H new ATOM 0 HG3 GLU B 53 -7.858 -5.433 4.694 1.00 0.00 H new ATOM 870 N ASN B 54 -8.443 -4.208 1.678 1.00 0.00 N ATOM 871 CA ASN B 54 -9.777 -3.649 1.543 1.00 0.00 C ATOM 872 C ASN B 54 -10.781 -4.529 2.265 1.00 0.00 C ATOM 873 O ASN B 54 -11.069 -5.639 1.824 1.00 0.00 O ATOM 874 CB ASN B 54 -10.165 -3.557 0.070 1.00 0.00 C ATOM 875 CG ASN B 54 -11.310 -2.594 -0.202 1.00 0.00 C ATOM 876 OD1 ASN B 54 -11.368 -1.974 -1.262 1.00 0.00 O ATOM 877 ND2 ASN B 54 -12.235 -2.463 0.740 1.00 0.00 N ATOM 0 H ASN B 54 -8.225 -4.937 0.998 1.00 0.00 H new ATOM 0 HA ASN B 54 -9.780 -2.651 1.981 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -9.295 -3.245 -0.507 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -10.444 -4.549 -0.286 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -13.024 -1.833 0.596 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -12.157 -2.992 1.608 1.00 0.00 H new ATOM 884 N LYS B 55 -11.314 -4.031 3.361 1.00 0.00 N ATOM 885 CA LYS B 55 -12.292 -4.775 4.130 1.00 0.00 C ATOM 886 C LYS B 55 -13.456 -3.875 4.542 1.00 0.00 C ATOM 887 O LYS B 55 -13.419 -3.209 5.575 1.00 0.00 O ATOM 888 CB LYS B 55 -11.602 -5.396 5.345 1.00 0.00 C ATOM 889 CG LYS B 55 -10.650 -4.441 6.053 1.00 0.00 C ATOM 890 CD LYS B 55 -9.776 -5.165 7.061 1.00 0.00 C ATOM 891 CE LYS B 55 -10.606 -5.844 8.130 1.00 0.00 C ATOM 892 NZ LYS B 55 -9.756 -6.488 9.164 1.00 0.00 N ATOM 0 H LYS B 55 -11.086 -3.112 3.741 1.00 0.00 H new ATOM 0 HA LYS B 55 -12.710 -5.574 3.517 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -12.360 -5.732 6.052 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -11.049 -6.280 5.027 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -10.020 -3.943 5.316 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -11.223 -3.665 6.560 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -9.165 -5.907 6.547 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -9.092 -4.456 7.526 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -11.260 -5.111 8.602 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -11.249 -6.594 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -10.332 -6.701 10.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -9.357 -7.370 8.785 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -8.984 -5.844 9.429 1.00 0.00 H new ATOM 906 N ALA B 56 -14.494 -3.875 3.719 1.00 0.00 N ATOM 907 CA ALA B 56 -15.682 -3.067 3.961 1.00 0.00 C ATOM 908 C ALA B 56 -16.943 -3.885 3.687 1.00 0.00 C ATOM 909 O ALA B 56 -16.857 -4.939 3.057 1.00 0.00 O ATOM 910 CB ALA B 56 -15.651 -1.820 3.085 1.00 0.00 C ATOM 0 H ALA B 56 -14.538 -4.433 2.866 1.00 0.00 H new ATOM 0 HA ALA B 56 -15.694 -2.758 5.006 1.00 0.00 H new ATOM 0 HB1 ALA B 56 -16.543 -1.222 3.272 1.00 0.00 H new ATOM 0 HB2 ALA B 56 -14.764 -1.232 3.320 1.00 0.00 H new ATOM 0 HB3 ALA B 56 -15.625 -2.113 2.036 1.00 0.00 H new ATOM 916 N PRO B 57 -18.125 -3.442 4.158 1.00 0.00 N ATOM 917 CA PRO B 57 -19.382 -4.167 3.930 1.00 0.00 C ATOM 918 C PRO B 57 -19.664 -4.366 2.447 1.00 0.00 C ATOM 919 O PRO B 57 -20.064 -5.449 2.012 1.00 0.00 O ATOM 920 CB PRO B 57 -20.449 -3.260 4.558 1.00 0.00 C ATOM 921 CG PRO B 57 -19.795 -1.930 4.707 1.00 0.00 C ATOM 922 CD PRO B 57 -18.345 -2.219 4.948 1.00 0.00 C ATOM 0 HA PRO B 57 -19.356 -5.168 4.360 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -21.333 -3.195 3.924 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -20.777 -3.648 5.523 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -19.930 -1.324 3.811 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -20.227 -1.372 5.538 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -17.708 -1.400 4.614 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -18.133 -2.376 6.006 1.00 0.00 H new ATOM 930 N ASN B 58 -19.436 -3.317 1.678 1.00 0.00 N ATOM 931 CA ASN B 58 -19.687 -3.343 0.243 1.00 0.00 C ATOM 932 C ASN B 58 -18.538 -2.679 -0.497 1.00 0.00 C ATOM 933 O ASN B 58 -18.686 -1.601 -1.065 1.00 0.00 O ATOM 934 CB ASN B 58 -21.008 -2.641 -0.088 1.00 0.00 C ATOM 935 CG ASN B 58 -22.203 -3.304 0.571 1.00 0.00 C ATOM 936 OD1 ASN B 58 -22.852 -4.172 -0.014 1.00 0.00 O ATOM 937 ND2 ASN B 58 -22.488 -2.912 1.804 1.00 0.00 N ATOM 0 H ASN B 58 -19.074 -2.428 2.024 1.00 0.00 H new ATOM 0 HA ASN B 58 -19.762 -4.382 -0.078 1.00 0.00 H new ATOM 0 HB2 ASN B 58 -20.952 -1.601 0.232 1.00 0.00 H new ATOM 0 HB3 ASN B 58 -21.151 -2.635 -1.169 1.00 0.00 H new ATOM 0 HD21 ASN B 58 -23.271 -3.333 2.305 1.00 0.00 H new ATOM 0 HD22 ASN B 58 -21.925 -2.189 2.252 1.00 0.00 H new ATOM 944 N SER B 59 -17.389 -3.330 -0.478 1.00 0.00 N ATOM 945 CA SER B 59 -16.181 -2.769 -1.057 1.00 0.00 C ATOM 946 C SER B 59 -16.258 -2.746 -2.572 1.00 0.00 C ATOM 947 O SER B 59 -16.435 -3.782 -3.217 1.00 0.00 O ATOM 948 CB SER B 59 -14.966 -3.579 -0.616 1.00 0.00 C ATOM 949 OG SER B 59 -14.987 -3.811 0.781 1.00 0.00 O ATOM 0 H SER B 59 -17.267 -4.254 -0.065 1.00 0.00 H new ATOM 0 HA SER B 59 -16.083 -1.743 -0.703 1.00 0.00 H new ATOM 0 HB2 SER B 59 -14.948 -4.532 -1.146 1.00 0.00 H new ATOM 0 HB3 SER B 59 -14.053 -3.047 -0.886 1.00 0.00 H new ATOM 0 HG SER B 59 -15.005 -4.776 0.952 1.00 0.00 H new ATOM 955 N LYS B 60 -16.131 -1.557 -3.129 1.00 0.00 N ATOM 956 CA LYS B 60 -16.125 -1.379 -4.567 1.00 0.00 C ATOM 957 C LYS B 60 -14.972 -0.465 -4.976 1.00 0.00 C ATOM 958 O LYS B 60 -15.189 0.693 -5.336 1.00 0.00 O ATOM 959 CB LYS B 60 -17.459 -0.789 -5.019 1.00 0.00 C ATOM 960 CG LYS B 60 -18.650 -1.691 -4.740 1.00 0.00 C ATOM 961 CD LYS B 60 -19.945 -1.090 -5.258 1.00 0.00 C ATOM 962 CE LYS B 60 -21.157 -1.870 -4.773 1.00 0.00 C ATOM 963 NZ LYS B 60 -21.123 -3.293 -5.206 1.00 0.00 N ATOM 0 H LYS B 60 -16.030 -0.691 -2.600 1.00 0.00 H new ATOM 0 HA LYS B 60 -15.987 -2.347 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -17.612 0.167 -4.518 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -17.412 -0.584 -6.088 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -18.488 -2.662 -5.207 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -18.733 -1.863 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -20.023 -0.054 -4.929 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -19.931 -1.078 -6.348 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -21.204 -1.825 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -22.064 -1.399 -5.151 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -22.021 -3.754 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -20.986 -3.339 -6.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -20.338 -3.782 -4.730 1.00 0.00 H new ATOM 977 N PRO B 61 -13.726 -0.976 -4.918 1.00 0.00 N ATOM 978 CA PRO B 61 -12.530 -0.191 -5.241 1.00 0.00 C ATOM 979 C PRO B 61 -12.526 0.274 -6.691 1.00 0.00 C ATOM 980 O PRO B 61 -13.016 -0.422 -7.587 1.00 0.00 O ATOM 981 CB PRO B 61 -11.371 -1.160 -4.985 1.00 0.00 C ATOM 982 CG PRO B 61 -11.980 -2.516 -5.054 1.00 0.00 C ATOM 983 CD PRO B 61 -13.385 -2.362 -4.553 1.00 0.00 C ATOM 0 HA PRO B 61 -12.470 0.719 -4.645 1.00 0.00 H new ATOM 0 HB2 PRO B 61 -10.586 -1.042 -5.731 1.00 0.00 H new ATOM 0 HB3 PRO B 61 -10.915 -0.981 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO B 61 -11.969 -2.897 -6.075 1.00 0.00 H new ATOM 0 HG3 PRO B 61 -11.423 -3.226 -4.443 1.00 0.00 H new ATOM 0 HD2 PRO B 61 -14.060 -3.079 -5.021 1.00 0.00 H new ATOM 0 HD3 PRO B 61 -13.448 -2.521 -3.477 1.00 0.00 H new ATOM 991 N ASP B 62 -11.980 1.460 -6.907 1.00 0.00 N ATOM 992 CA ASP B 62 -11.951 2.069 -8.228 1.00 0.00 C ATOM 993 C ASP B 62 -10.657 1.717 -8.934 1.00 0.00 C ATOM 994 O ASP B 62 -10.660 1.108 -10.002 1.00 0.00 O ATOM 995 CB ASP B 62 -12.070 3.593 -8.122 1.00 0.00 C ATOM 996 CG ASP B 62 -13.240 4.036 -7.266 1.00 0.00 C ATOM 997 OD1 ASP B 62 -14.398 3.909 -7.713 1.00 0.00 O ATOM 998 OD2 ASP B 62 -13.003 4.517 -6.137 1.00 0.00 O ATOM 0 H ASP B 62 -11.547 2.025 -6.177 1.00 0.00 H new ATOM 0 HA ASP B 62 -12.796 1.685 -8.799 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -11.148 3.996 -7.704 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -12.178 4.014 -9.122 1.00 0.00 H new ATOM 1003 N ARG B 63 -9.550 2.099 -8.320 1.00 0.00 N ATOM 1004 CA ARG B 63 -8.239 1.897 -8.906 1.00 0.00 C ATOM 1005 C ARG B 63 -7.154 2.043 -7.850 1.00 0.00 C ATOM 1006 O ARG B 63 -7.442 2.322 -6.681 1.00 0.00 O ATOM 1007 CB ARG B 63 -8.022 2.932 -10.003 1.00 0.00 C ATOM 1008 CG ARG B 63 -8.082 4.357 -9.481 1.00 0.00 C ATOM 1009 CD ARG B 63 -8.268 5.345 -10.606 1.00 0.00 C ATOM 1010 NE ARG B 63 -8.338 6.722 -10.120 1.00 0.00 N ATOM 1011 CZ ARG B 63 -7.663 7.742 -10.648 1.00 0.00 C ATOM 1012 NH1 ARG B 63 -6.826 7.545 -11.662 1.00 0.00 N ATOM 1013 NH2 ARG B 63 -7.828 8.963 -10.156 1.00 0.00 N ATOM 0 H ARG B 63 -9.536 2.555 -7.408 1.00 0.00 H new ATOM 0 HA ARG B 63 -8.186 0.891 -9.322 1.00 0.00 H new ATOM 0 HB2 ARG B 63 -7.053 2.761 -10.472 1.00 0.00 H new ATOM 0 HB3 ARG B 63 -8.778 2.800 -10.777 1.00 0.00 H new ATOM 0 HG2 ARG B 63 -8.903 4.452 -8.771 1.00 0.00 H new ATOM 0 HG3 ARG B 63 -7.164 4.587 -8.940 1.00 0.00 H new ATOM 0 HD2 ARG B 63 -7.442 5.251 -11.311 1.00 0.00 H new ATOM 0 HD3 ARG B 63 -9.181 5.106 -11.151 1.00 0.00 H new ATOM 0 HE ARG B 63 -8.945 6.915 -9.323 1.00 0.00 H new ATOM 0 HH11 ARG B 63 -6.697 6.607 -12.042 1.00 0.00 H new ATOM 0 HH12 ARG B 63 -6.313 8.332 -12.060 1.00 0.00 H new ATOM 0 HH21 ARG B 63 -8.469 9.117 -9.378 1.00 0.00 H new ATOM 0 HH22 ARG B 63 -7.314 9.748 -10.556 1.00 0.00 H new ATOM 1027 N PHE B 64 -5.916 1.855 -8.272 1.00 0.00 N ATOM 1028 CA PHE B 64 -4.764 2.080 -7.417 1.00 0.00 C ATOM 1029 C PHE B 64 -3.710 2.864 -8.177 1.00 0.00 C ATOM 1030 O PHE B 64 -3.201 2.402 -9.201 1.00 0.00 O ATOM 1031 CB PHE B 64 -4.169 0.754 -6.930 1.00 0.00 C ATOM 1032 CG PHE B 64 -5.016 0.041 -5.916 1.00 0.00 C ATOM 1033 CD1 PHE B 64 -4.940 0.383 -4.577 1.00 0.00 C ATOM 1034 CD2 PHE B 64 -5.882 -0.970 -6.299 1.00 0.00 C ATOM 1035 CE1 PHE B 64 -5.715 -0.269 -3.636 1.00 0.00 C ATOM 1036 CE2 PHE B 64 -6.659 -1.625 -5.362 1.00 0.00 C ATOM 1037 CZ PHE B 64 -6.575 -1.275 -4.030 1.00 0.00 C ATOM 0 H PHE B 64 -5.681 1.543 -9.214 1.00 0.00 H new ATOM 0 HA PHE B 64 -5.091 2.648 -6.546 1.00 0.00 H new ATOM 0 HB2 PHE B 64 -4.018 0.099 -7.788 1.00 0.00 H new ATOM 0 HB3 PHE B 64 -3.187 0.945 -6.498 1.00 0.00 H new ATOM 0 HD1 PHE B 64 -4.268 1.168 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE B 64 -5.951 -1.249 -7.340 1.00 0.00 H new ATOM 0 HE1 PHE B 64 -5.648 0.008 -2.594 1.00 0.00 H new ATOM 0 HE2 PHE B 64 -7.332 -2.411 -5.673 1.00 0.00 H new ATOM 0 HZ PHE B 64 -7.181 -1.787 -3.297 1.00 0.00 H new ATOM 1047 N SER B 65 -3.401 4.058 -7.701 1.00 0.00 N ATOM 1048 CA SER B 65 -2.347 4.857 -8.300 1.00 0.00 C ATOM 1049 C SER B 65 -1.440 5.423 -7.217 1.00 0.00 C ATOM 1050 O SER B 65 -1.537 6.596 -6.858 1.00 0.00 O ATOM 1051 CB SER B 65 -2.954 5.991 -9.126 1.00 0.00 C ATOM 1052 OG SER B 65 -3.834 5.486 -10.120 1.00 0.00 O ATOM 0 H SER B 65 -3.864 4.494 -6.904 1.00 0.00 H new ATOM 0 HA SER B 65 -1.753 4.222 -8.958 1.00 0.00 H new ATOM 0 HB2 SER B 65 -3.495 6.673 -8.470 1.00 0.00 H new ATOM 0 HB3 SER B 65 -2.158 6.567 -9.599 1.00 0.00 H new ATOM 0 HG SER B 65 -4.210 6.231 -10.633 1.00 0.00 H new ATOM 1058 N PRO B 66 -0.528 4.593 -6.696 1.00 0.00 N ATOM 1059 CA PRO B 66 0.405 5.006 -5.660 1.00 0.00 C ATOM 1060 C PRO B 66 1.609 5.736 -6.230 1.00 0.00 C ATOM 1061 O PRO B 66 2.016 5.503 -7.373 1.00 0.00 O ATOM 1062 CB PRO B 66 0.827 3.686 -5.031 1.00 0.00 C ATOM 1063 CG PRO B 66 0.752 2.708 -6.145 1.00 0.00 C ATOM 1064 CD PRO B 66 -0.358 3.175 -7.052 1.00 0.00 C ATOM 0 HA PRO B 66 -0.042 5.707 -4.955 1.00 0.00 H new ATOM 0 HB2 PRO B 66 1.835 3.745 -4.621 1.00 0.00 H new ATOM 0 HB3 PRO B 66 0.165 3.407 -4.211 1.00 0.00 H new ATOM 0 HG2 PRO B 66 1.699 2.660 -6.683 1.00 0.00 H new ATOM 0 HG3 PRO B 66 0.549 1.706 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO B 66 -0.093 3.055 -8.103 1.00 0.00 H new ATOM 0 HD3 PRO B 66 -1.274 2.608 -6.887 1.00 0.00 H new ATOM 1072 N SER B 67 2.168 6.628 -5.440 1.00 0.00 N ATOM 1073 CA SER B 67 3.318 7.408 -5.855 1.00 0.00 C ATOM 1074 C SER B 67 4.062 7.933 -4.636 1.00 0.00 C ATOM 1075 O SER B 67 3.456 8.255 -3.611 1.00 0.00 O ATOM 1076 CB SER B 67 2.895 8.574 -6.753 1.00 0.00 C ATOM 1077 OG SER B 67 2.070 8.133 -7.819 1.00 0.00 O ATOM 0 H SER B 67 1.841 6.833 -4.496 1.00 0.00 H new ATOM 0 HA SER B 67 3.981 6.759 -6.427 1.00 0.00 H new ATOM 0 HB2 SER B 67 2.360 9.316 -6.160 1.00 0.00 H new ATOM 0 HB3 SER B 67 3.781 9.065 -7.156 1.00 0.00 H new ATOM 0 HG SER B 67 2.263 7.192 -8.015 1.00 0.00 H new ATOM 1083 N TYR B 68 5.375 7.996 -4.752 1.00 0.00 N ATOM 1084 CA TYR B 68 6.222 8.449 -3.667 1.00 0.00 C ATOM 1085 C TYR B 68 6.684 9.876 -3.909 1.00 0.00 C ATOM 1086 O TYR B 68 7.362 10.164 -4.895 1.00 0.00 O ATOM 1087 CB TYR B 68 7.430 7.524 -3.520 1.00 0.00 C ATOM 1088 CG TYR B 68 8.477 8.039 -2.562 1.00 0.00 C ATOM 1089 CD1 TYR B 68 8.195 8.192 -1.210 1.00 0.00 C ATOM 1090 CD2 TYR B 68 9.741 8.390 -3.015 1.00 0.00 C ATOM 1091 CE1 TYR B 68 9.149 8.678 -0.338 1.00 0.00 C ATOM 1092 CE2 TYR B 68 10.695 8.882 -2.146 1.00 0.00 C ATOM 1093 CZ TYR B 68 10.395 9.024 -0.811 1.00 0.00 C ATOM 1094 OH TYR B 68 11.340 9.525 0.054 1.00 0.00 O ATOM 0 H TYR B 68 5.882 7.736 -5.598 1.00 0.00 H new ATOM 0 HA TYR B 68 5.642 8.425 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR B 68 7.088 6.547 -3.180 1.00 0.00 H new ATOM 0 HB3 TYR B 68 7.886 7.379 -4.499 1.00 0.00 H new ATOM 0 HD1 TYR B 68 7.217 7.927 -0.836 1.00 0.00 H new ATOM 0 HD2 TYR B 68 9.982 8.277 -4.062 1.00 0.00 H new ATOM 0 HE1 TYR B 68 8.919 8.786 0.712 1.00 0.00 H new ATOM 0 HE2 TYR B 68 11.673 9.154 -2.513 1.00 0.00 H new ATOM 0 HH TYR B 68 12.165 9.718 -0.439 1.00 0.00 H new ATOM 1104 N ASN B 69 6.307 10.763 -3.013 1.00 0.00 N ATOM 1105 CA ASN B 69 6.748 12.146 -3.083 1.00 0.00 C ATOM 1106 C ASN B 69 7.881 12.401 -2.100 1.00 0.00 C ATOM 1107 O ASN B 69 7.697 12.307 -0.886 1.00 0.00 O ATOM 1108 CB ASN B 69 5.582 13.115 -2.838 1.00 0.00 C ATOM 1109 CG ASN B 69 4.624 12.654 -1.757 1.00 0.00 C ATOM 1110 OD1 ASN B 69 3.670 11.924 -2.026 1.00 0.00 O ATOM 1111 ND2 ASN B 69 4.855 13.093 -0.535 1.00 0.00 N ATOM 0 H ASN B 69 5.695 10.554 -2.225 1.00 0.00 H new ATOM 0 HA ASN B 69 7.123 12.327 -4.090 1.00 0.00 H new ATOM 0 HB2 ASN B 69 5.983 14.091 -2.564 1.00 0.00 H new ATOM 0 HB3 ASN B 69 5.030 13.248 -3.768 1.00 0.00 H new ATOM 0 HD21 ASN B 69 4.232 12.829 0.228 1.00 0.00 H new ATOM 0 HD22 ASN B 69 5.657 13.697 -0.353 1.00 0.00 H new ATOM 1118 N PHE B 70 9.053 12.729 -2.641 1.00 0.00 N ATOM 1119 CA PHE B 70 10.254 12.965 -1.839 1.00 0.00 C ATOM 1120 C PHE B 70 10.063 14.170 -0.930 1.00 0.00 C ATOM 1121 O PHE B 70 10.690 14.274 0.122 1.00 0.00 O ATOM 1122 CB PHE B 70 11.468 13.209 -2.743 1.00 0.00 C ATOM 1123 CG PHE B 70 11.891 12.019 -3.560 1.00 0.00 C ATOM 1124 CD1 PHE B 70 11.187 11.654 -4.695 1.00 0.00 C ATOM 1125 CD2 PHE B 70 13.003 11.277 -3.196 1.00 0.00 C ATOM 1126 CE1 PHE B 70 11.582 10.568 -5.452 1.00 0.00 C ATOM 1127 CE2 PHE B 70 13.404 10.190 -3.950 1.00 0.00 C ATOM 1128 CZ PHE B 70 12.692 9.835 -5.080 1.00 0.00 C ATOM 0 H PHE B 70 9.198 12.839 -3.645 1.00 0.00 H new ATOM 0 HA PHE B 70 10.428 12.077 -1.232 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.242 14.034 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.308 13.525 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE B 70 10.319 12.225 -4.992 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.563 11.551 -2.314 1.00 0.00 H new ATOM 0 HE1 PHE B 70 11.023 10.292 -6.334 1.00 0.00 H new ATOM 0 HE2 PHE B 70 14.272 9.619 -3.656 1.00 0.00 H new ATOM 0 HZ PHE B 70 13.003 8.986 -5.671 1.00 0.00 H new ATOM 1138 N ALA B 71 9.189 15.074 -1.357 1.00 0.00 N ATOM 1139 CA ALA B 71 8.881 16.288 -0.608 1.00 0.00 C ATOM 1140 C ALA B 71 8.507 15.981 0.839 1.00 0.00 C ATOM 1141 O ALA B 71 9.034 16.583 1.773 1.00 0.00 O ATOM 1142 CB ALA B 71 7.746 17.030 -1.290 1.00 0.00 C ATOM 0 H ALA B 71 8.673 14.987 -2.233 1.00 0.00 H new ATOM 0 HA ALA B 71 9.775 16.911 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA B 71 7.516 17.937 -0.730 1.00 0.00 H new ATOM 0 HB2 ALA B 71 8.043 17.295 -2.305 1.00 0.00 H new ATOM 0 HB3 ALA B 71 6.863 16.392 -1.325 1.00 0.00 H new ATOM 1148 N GLU B 72 7.601 15.032 1.013 1.00 0.00 N ATOM 1149 CA GLU B 72 7.126 14.673 2.342 1.00 0.00 C ATOM 1150 C GLU B 72 7.594 13.275 2.705 1.00 0.00 C ATOM 1151 O GLU B 72 7.250 12.757 3.764 1.00 0.00 O ATOM 1152 CB GLU B 72 5.602 14.704 2.397 1.00 0.00 C ATOM 1153 CG GLU B 72 4.970 15.835 1.613 1.00 0.00 C ATOM 1154 CD GLU B 72 3.459 15.832 1.722 1.00 0.00 C ATOM 1155 OE1 GLU B 72 2.801 15.091 0.960 1.00 0.00 O ATOM 1156 OE2 GLU B 72 2.920 16.578 2.564 1.00 0.00 O ATOM 0 H GLU B 72 7.180 14.497 0.253 1.00 0.00 H new ATOM 0 HA GLU B 72 7.530 15.398 3.049 1.00 0.00 H new ATOM 0 HB2 GLU B 72 5.218 13.757 2.019 1.00 0.00 H new ATOM 0 HB3 GLU B 72 5.290 14.781 3.438 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.357 16.787 1.976 1.00 0.00 H new ATOM 0 HG3 GLU B 72 5.257 15.753 0.565 1.00 0.00 H new ATOM 1163 N ASN B 73 8.371 12.683 1.786 1.00 0.00 N ATOM 1164 CA ASN B 73 8.834 11.288 1.869 1.00 0.00 C ATOM 1165 C ASN B 73 7.676 10.351 2.209 1.00 0.00 C ATOM 1166 O ASN B 73 7.783 9.461 3.060 1.00 0.00 O ATOM 1167 CB ASN B 73 10.022 11.100 2.842 1.00 0.00 C ATOM 1168 CG ASN B 73 9.756 11.608 4.242 1.00 0.00 C ATOM 1169 OD1 ASN B 73 10.123 12.732 4.590 1.00 0.00 O ATOM 1170 ND2 ASN B 73 9.113 10.789 5.049 1.00 0.00 N ATOM 0 H ASN B 73 8.701 13.167 0.951 1.00 0.00 H new ATOM 0 HA ASN B 73 9.212 11.024 0.881 1.00 0.00 H new ATOM 0 HB2 ASN B 73 10.273 10.041 2.892 1.00 0.00 H new ATOM 0 HB3 ASN B 73 10.894 11.615 2.439 1.00 0.00 H new ATOM 0 HD21 ASN B 73 8.900 11.077 6.004 1.00 0.00 H new ATOM 0 HD22 ASN B 73 8.828 9.867 4.719 1.00 0.00 H new ATOM 1177 N ILE B 74 6.566 10.552 1.513 1.00 0.00 N ATOM 1178 CA ILE B 74 5.366 9.778 1.757 1.00 0.00 C ATOM 1179 C ILE B 74 4.932 9.029 0.503 1.00 0.00 C ATOM 1180 O ILE B 74 4.980 9.566 -0.605 1.00 0.00 O ATOM 1181 CB ILE B 74 4.238 10.701 2.262 1.00 0.00 C ATOM 1182 CG1 ILE B 74 4.636 11.262 3.629 1.00 0.00 C ATOM 1183 CG2 ILE B 74 2.906 9.963 2.333 1.00 0.00 C ATOM 1184 CD1 ILE B 74 3.815 12.438 4.082 1.00 0.00 C ATOM 0 H ILE B 74 6.476 11.248 0.773 1.00 0.00 H new ATOM 0 HA ILE B 74 5.583 9.036 2.525 1.00 0.00 H new ATOM 0 HB ILE B 74 4.103 11.523 1.559 1.00 0.00 H new ATOM 0 HG12 ILE B 74 4.553 10.469 4.372 1.00 0.00 H new ATOM 0 HG13 ILE B 74 5.684 11.558 3.595 1.00 0.00 H new ATOM 0 HG21 ILE B 74 2.133 10.642 2.692 1.00 0.00 H new ATOM 0 HG22 ILE B 74 2.638 9.600 1.341 1.00 0.00 H new ATOM 0 HG23 ILE B 74 2.994 9.119 3.017 1.00 0.00 H new ATOM 0 HD11 ILE B 74 4.165 12.771 5.059 1.00 0.00 H new ATOM 0 HD12 ILE B 74 3.917 13.251 3.363 1.00 0.00 H new ATOM 0 HD13 ILE B 74 2.767 12.145 4.152 1.00 0.00 H new ATOM 1196 N LEU B 75 4.545 7.779 0.692 1.00 0.00 N ATOM 1197 CA LEU B 75 4.059 6.943 -0.389 1.00 0.00 C ATOM 1198 C LEU B 75 2.536 6.919 -0.340 1.00 0.00 C ATOM 1199 O LEU B 75 1.943 6.225 0.481 1.00 0.00 O ATOM 1200 CB LEU B 75 4.653 5.526 -0.244 1.00 0.00 C ATOM 1201 CG LEU B 75 4.355 4.516 -1.368 1.00 0.00 C ATOM 1202 CD1 LEU B 75 2.967 3.914 -1.225 1.00 0.00 C ATOM 1203 CD2 LEU B 75 4.512 5.165 -2.731 1.00 0.00 C ATOM 0 H LEU B 75 4.559 7.316 1.601 1.00 0.00 H new ATOM 0 HA LEU B 75 4.369 7.340 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU B 75 5.735 5.622 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU B 75 4.292 5.103 0.694 1.00 0.00 H new ATOM 0 HG LEU B 75 5.080 3.707 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU B 75 2.792 3.206 -2.035 1.00 0.00 H new ATOM 0 HD12 LEU B 75 2.892 3.396 -0.269 1.00 0.00 H new ATOM 0 HD13 LEU B 75 2.220 4.707 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU B 75 4.297 4.433 -3.509 1.00 0.00 H new ATOM 0 HD22 LEU B 75 3.819 6.002 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU B 75 5.534 5.527 -2.846 1.00 0.00 H new ATOM 1215 N TYR B 76 1.896 7.700 -1.192 1.00 0.00 N ATOM 1216 CA TYR B 76 0.445 7.759 -1.190 1.00 0.00 C ATOM 1217 C TYR B 76 -0.110 6.671 -2.098 1.00 0.00 C ATOM 1218 O TYR B 76 0.428 6.421 -3.174 1.00 0.00 O ATOM 1219 CB TYR B 76 -0.047 9.162 -1.597 1.00 0.00 C ATOM 1220 CG TYR B 76 -0.488 9.320 -3.039 1.00 0.00 C ATOM 1221 CD1 TYR B 76 -1.789 9.012 -3.418 1.00 0.00 C ATOM 1222 CD2 TYR B 76 0.379 9.797 -4.012 1.00 0.00 C ATOM 1223 CE1 TYR B 76 -2.215 9.174 -4.719 1.00 0.00 C ATOM 1224 CE2 TYR B 76 -0.040 9.959 -5.322 1.00 0.00 C ATOM 1225 CZ TYR B 76 -1.338 9.645 -5.668 1.00 0.00 C ATOM 1226 OH TYR B 76 -1.769 9.817 -6.965 1.00 0.00 O ATOM 0 H TYR B 76 2.350 8.295 -1.885 1.00 0.00 H new ATOM 0 HA TYR B 76 0.076 7.578 -0.181 1.00 0.00 H new ATOM 0 HB2 TYR B 76 -0.882 9.434 -0.951 1.00 0.00 H new ATOM 0 HB3 TYR B 76 0.753 9.876 -1.402 1.00 0.00 H new ATOM 0 HD1 TYR B 76 -2.481 8.638 -2.678 1.00 0.00 H new ATOM 0 HD2 TYR B 76 1.395 10.045 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR B 76 -3.232 8.932 -4.992 1.00 0.00 H new ATOM 0 HE2 TYR B 76 0.646 10.329 -6.069 1.00 0.00 H new ATOM 0 HH TYR B 76 -1.031 10.157 -7.513 1.00 0.00 H new ATOM 1236 N ILE B 77 -1.164 6.005 -1.636 1.00 0.00 N ATOM 1237 CA ILE B 77 -1.767 4.902 -2.376 1.00 0.00 C ATOM 1238 C ILE B 77 -2.851 5.419 -3.308 1.00 0.00 C ATOM 1239 O ILE B 77 -2.886 5.082 -4.485 1.00 0.00 O ATOM 1240 CB ILE B 77 -2.380 3.851 -1.420 1.00 0.00 C ATOM 1241 CG1 ILE B 77 -1.298 3.234 -0.527 1.00 0.00 C ATOM 1242 CG2 ILE B 77 -3.113 2.766 -2.201 1.00 0.00 C ATOM 1243 CD1 ILE B 77 -0.242 2.456 -1.286 1.00 0.00 C ATOM 0 H ILE B 77 -1.620 6.212 -0.747 1.00 0.00 H new ATOM 0 HA ILE B 77 -0.976 4.428 -2.958 1.00 0.00 H new ATOM 0 HB ILE B 77 -3.104 4.358 -0.782 1.00 0.00 H new ATOM 0 HG12 ILE B 77 -0.812 4.029 0.039 1.00 0.00 H new ATOM 0 HG13 ILE B 77 -1.773 2.571 0.197 1.00 0.00 H new ATOM 0 HG21 ILE B 77 -3.535 2.040 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE B 77 -3.915 3.217 -2.785 1.00 0.00 H new ATOM 0 HG23 ILE B 77 -2.414 2.264 -2.870 1.00 0.00 H new ATOM 0 HD11 ILE B 77 0.487 2.051 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE B 77 -0.714 1.638 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE B 77 0.262 3.118 -1.990 1.00 0.00 H new ATOM 1255 N ASN B 78 -3.730 6.237 -2.755 1.00 0.00 N ATOM 1256 CA ASN B 78 -4.811 6.855 -3.506 1.00 0.00 C ATOM 1257 C ASN B 78 -5.159 8.178 -2.848 1.00 0.00 C ATOM 1258 O ASN B 78 -4.529 8.559 -1.861 1.00 0.00 O ATOM 1259 CB ASN B 78 -6.052 5.949 -3.541 1.00 0.00 C ATOM 1260 CG ASN B 78 -5.991 4.875 -4.615 1.00 0.00 C ATOM 1261 OD1 ASN B 78 -5.454 5.088 -5.702 1.00 0.00 O ATOM 1262 ND2 ASN B 78 -6.540 3.706 -4.315 1.00 0.00 N ATOM 0 H ASN B 78 -3.714 6.493 -1.768 1.00 0.00 H new ATOM 0 HA ASN B 78 -4.486 7.014 -4.534 1.00 0.00 H new ATOM 0 HB2 ASN B 78 -6.171 5.472 -2.568 1.00 0.00 H new ATOM 0 HB3 ASN B 78 -6.937 6.565 -3.704 1.00 0.00 H new ATOM 0 HD21 ASN B 78 -6.526 2.946 -4.996 1.00 0.00 H new ATOM 0 HD22 ASN B 78 -6.976 3.566 -3.404 1.00 0.00 H new ATOM 1269 N GLY B 79 -6.160 8.866 -3.365 1.00 0.00 N ATOM 1270 CA GLY B 79 -6.596 10.102 -2.742 1.00 0.00 C ATOM 1271 C GLY B 79 -7.379 9.848 -1.465 1.00 0.00 C ATOM 1272 O GLY B 79 -7.840 10.781 -0.813 1.00 0.00 O ATOM 0 H GLY B 79 -6.679 8.596 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY B 79 -5.728 10.722 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY B 79 -7.215 10.663 -3.442 1.00 0.00 H new ATOM 1276 N LYS B 80 -7.524 8.574 -1.112 1.00 0.00 N ATOM 1277 CA LYS B 80 -8.301 8.177 0.047 1.00 0.00 C ATOM 1278 C LYS B 80 -7.400 8.023 1.262 1.00 0.00 C ATOM 1279 O LYS B 80 -7.800 8.326 2.386 1.00 0.00 O ATOM 1280 CB LYS B 80 -9.014 6.867 -0.268 1.00 0.00 C ATOM 1281 CG LYS B 80 -9.628 6.880 -1.652 1.00 0.00 C ATOM 1282 CD LYS B 80 -10.342 5.588 -1.985 1.00 0.00 C ATOM 1283 CE LYS B 80 -11.027 5.692 -3.339 1.00 0.00 C ATOM 1284 NZ LYS B 80 -11.784 4.464 -3.688 1.00 0.00 N ATOM 0 H LYS B 80 -7.107 7.795 -1.621 1.00 0.00 H new ATOM 0 HA LYS B 80 -9.039 8.945 0.278 1.00 0.00 H new ATOM 0 HB2 LYS B 80 -8.307 6.041 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS B 80 -9.793 6.690 0.474 1.00 0.00 H new ATOM 0 HG2 LYS B 80 -10.332 7.709 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS B 80 -8.846 7.059 -2.390 1.00 0.00 H new ATOM 0 HD2 LYS B 80 -9.629 4.763 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS B 80 -11.079 5.364 -1.214 1.00 0.00 H new ATOM 0 HE2 LYS B 80 -11.706 6.545 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS B 80 -10.278 5.884 -4.108 1.00 0.00 H new ATOM 0 HZ1 LYS B 80 -11.987 4.459 -4.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 80 -11.218 3.626 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 80 -12.678 4.445 -3.157 1.00 0.00 H new ATOM 1298 N LEU B 81 -6.180 7.559 1.024 1.00 0.00 N ATOM 1299 CA LEU B 81 -5.202 7.403 2.091 1.00 0.00 C ATOM 1300 C LEU B 81 -3.772 7.409 1.555 1.00 0.00 C ATOM 1301 O LEU B 81 -3.520 7.048 0.400 1.00 0.00 O ATOM 1302 CB LEU B 81 -5.467 6.138 2.929 1.00 0.00 C ATOM 1303 CG LEU B 81 -5.883 4.864 2.173 1.00 0.00 C ATOM 1304 CD1 LEU B 81 -4.852 4.462 1.132 1.00 0.00 C ATOM 1305 CD2 LEU B 81 -6.084 3.732 3.159 1.00 0.00 C ATOM 0 H LEU B 81 -5.845 7.284 0.101 1.00 0.00 H new ATOM 0 HA LEU B 81 -5.314 8.266 2.747 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -4.563 5.914 3.496 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -6.248 6.371 3.653 1.00 0.00 H new ATOM 0 HG LEU B 81 -6.816 5.074 1.650 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -5.184 3.558 0.621 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -4.735 5.267 0.406 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -3.896 4.272 1.621 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -6.379 2.830 2.622 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -5.153 3.547 3.696 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -6.865 4.003 3.870 1.00 0.00 H new ATOM 1317 N SER B 82 -2.848 7.836 2.397 1.00 0.00 N ATOM 1318 CA SER B 82 -1.440 7.856 2.046 1.00 0.00 C ATOM 1319 C SER B 82 -0.621 7.154 3.124 1.00 0.00 C ATOM 1320 O SER B 82 -1.010 7.145 4.293 1.00 0.00 O ATOM 1321 CB SER B 82 -0.972 9.300 1.863 1.00 0.00 C ATOM 1322 OG SER B 82 -1.291 10.088 2.998 1.00 0.00 O ATOM 0 H SER B 82 -3.051 8.176 3.337 1.00 0.00 H new ATOM 0 HA SER B 82 -1.296 7.323 1.106 1.00 0.00 H new ATOM 0 HB2 SER B 82 0.105 9.318 1.695 1.00 0.00 H new ATOM 0 HB3 SER B 82 -1.440 9.728 0.976 1.00 0.00 H new ATOM 0 HG SER B 82 -0.980 11.006 2.857 1.00 0.00 H new ATOM 1328 N ILE B 83 0.494 6.552 2.732 1.00 0.00 N ATOM 1329 CA ILE B 83 1.347 5.837 3.667 1.00 0.00 C ATOM 1330 C ILE B 83 2.635 6.617 3.922 1.00 0.00 C ATOM 1331 O ILE B 83 3.566 6.581 3.114 1.00 0.00 O ATOM 1332 CB ILE B 83 1.698 4.429 3.138 1.00 0.00 C ATOM 1333 CG1 ILE B 83 0.420 3.639 2.824 1.00 0.00 C ATOM 1334 CG2 ILE B 83 2.561 3.675 4.140 1.00 0.00 C ATOM 1335 CD1 ILE B 83 -0.509 3.477 4.009 1.00 0.00 C ATOM 0 H ILE B 83 0.828 6.546 1.768 1.00 0.00 H new ATOM 0 HA ILE B 83 0.795 5.733 4.601 1.00 0.00 H new ATOM 0 HB ILE B 83 2.269 4.543 2.216 1.00 0.00 H new ATOM 0 HG12 ILE B 83 -0.117 4.141 2.020 1.00 0.00 H new ATOM 0 HG13 ILE B 83 0.697 2.652 2.454 1.00 0.00 H new ATOM 0 HG21 ILE B 83 2.796 2.686 3.746 1.00 0.00 H new ATOM 0 HG22 ILE B 83 3.486 4.226 4.311 1.00 0.00 H new ATOM 0 HG23 ILE B 83 2.020 3.572 5.081 1.00 0.00 H new ATOM 0 HD11 ILE B 83 -1.388 2.908 3.707 1.00 0.00 H new ATOM 0 HD12 ILE B 83 0.009 2.947 4.808 1.00 0.00 H new ATOM 0 HD13 ILE B 83 -0.817 4.459 4.366 1.00 0.00 H new ATOM 1347 N PRO B 84 2.697 7.359 5.035 1.00 0.00 N ATOM 1348 CA PRO B 84 3.880 8.136 5.397 1.00 0.00 C ATOM 1349 C PRO B 84 5.037 7.252 5.817 1.00 0.00 C ATOM 1350 O PRO B 84 4.867 6.299 6.580 1.00 0.00 O ATOM 1351 CB PRO B 84 3.418 9.000 6.576 1.00 0.00 C ATOM 1352 CG PRO B 84 1.935 8.875 6.594 1.00 0.00 C ATOM 1353 CD PRO B 84 1.628 7.523 6.024 1.00 0.00 C ATOM 0 HA PRO B 84 4.248 8.719 4.553 1.00 0.00 H new ATOM 0 HB2 PRO B 84 3.854 8.653 7.513 1.00 0.00 H new ATOM 0 HB3 PRO B 84 3.724 10.038 6.447 1.00 0.00 H new ATOM 0 HG2 PRO B 84 1.548 8.968 7.609 1.00 0.00 H new ATOM 0 HG3 PRO B 84 1.470 9.663 6.002 1.00 0.00 H new ATOM 0 HD2 PRO B 84 1.654 6.744 6.786 1.00 0.00 H new ATOM 0 HD3 PRO B 84 0.640 7.488 5.566 1.00 0.00 H new ATOM 1361 N LEU B 85 6.215 7.579 5.325 1.00 0.00 N ATOM 1362 CA LEU B 85 7.397 6.782 5.599 1.00 0.00 C ATOM 1363 C LEU B 85 8.285 7.488 6.613 1.00 0.00 C ATOM 1364 O LEU B 85 8.313 8.717 6.670 1.00 0.00 O ATOM 1365 CB LEU B 85 8.156 6.536 4.295 1.00 0.00 C ATOM 1366 CG LEU B 85 7.320 5.897 3.183 1.00 0.00 C ATOM 1367 CD1 LEU B 85 8.135 5.762 1.913 1.00 0.00 C ATOM 1368 CD2 LEU B 85 6.788 4.540 3.625 1.00 0.00 C ATOM 0 H LEU B 85 6.381 8.392 4.732 1.00 0.00 H new ATOM 0 HA LEU B 85 7.098 5.823 6.021 1.00 0.00 H new ATOM 0 HB2 LEU B 85 8.551 7.486 3.935 1.00 0.00 H new ATOM 0 HB3 LEU B 85 9.012 5.894 4.503 1.00 0.00 H new ATOM 0 HG LEU B 85 6.470 6.548 2.977 1.00 0.00 H new ATOM 0 HD11 LEU B 85 7.523 5.306 1.135 1.00 0.00 H new ATOM 0 HD12 LEU B 85 8.463 6.748 1.585 1.00 0.00 H new ATOM 0 HD13 LEU B 85 9.006 5.135 2.104 1.00 0.00 H new ATOM 0 HD21 LEU B 85 6.196 4.102 2.821 1.00 0.00 H new ATOM 0 HD22 LEU B 85 7.623 3.881 3.861 1.00 0.00 H new ATOM 0 HD23 LEU B 85 6.163 4.665 4.509 1.00 0.00 H new ATOM 1380 N PRO B 86 8.996 6.722 7.450 1.00 0.00 N ATOM 1381 CA PRO B 86 9.910 7.288 8.438 1.00 0.00 C ATOM 1382 C PRO B 86 11.101 7.966 7.777 1.00 0.00 C ATOM 1383 O PRO B 86 11.671 7.453 6.814 1.00 0.00 O ATOM 1384 CB PRO B 86 10.365 6.078 9.257 1.00 0.00 C ATOM 1385 CG PRO B 86 10.148 4.908 8.364 1.00 0.00 C ATOM 1386 CD PRO B 86 8.965 5.249 7.503 1.00 0.00 C ATOM 0 HA PRO B 86 9.433 8.058 9.044 1.00 0.00 H new ATOM 0 HB2 PRO B 86 11.413 6.167 9.544 1.00 0.00 H new ATOM 0 HB3 PRO B 86 9.789 5.985 10.178 1.00 0.00 H new ATOM 0 HG2 PRO B 86 11.030 4.716 7.754 1.00 0.00 H new ATOM 0 HG3 PRO B 86 9.959 4.005 8.945 1.00 0.00 H new ATOM 0 HD2 PRO B 86 9.051 4.809 6.509 1.00 0.00 H new ATOM 0 HD3 PRO B 86 8.034 4.882 7.935 1.00 0.00 H new ATOM 1394 N ARG B 87 11.484 9.109 8.321 1.00 0.00 N ATOM 1395 CA ARG B 87 12.558 9.920 7.761 1.00 0.00 C ATOM 1396 C ARG B 87 13.912 9.277 8.027 1.00 0.00 C ATOM 1397 O ARG B 87 14.936 9.724 7.511 1.00 0.00 O ATOM 1398 CB ARG B 87 12.538 11.337 8.351 1.00 0.00 C ATOM 1399 CG ARG B 87 11.432 12.238 7.810 1.00 0.00 C ATOM 1400 CD ARG B 87 10.043 11.703 8.121 1.00 0.00 C ATOM 1401 NE ARG B 87 9.804 11.569 9.557 1.00 0.00 N ATOM 1402 CZ ARG B 87 8.776 10.895 10.076 1.00 0.00 C ATOM 1403 NH1 ARG B 87 7.887 10.312 9.280 1.00 0.00 N ATOM 1404 NH2 ARG B 87 8.634 10.810 11.391 1.00 0.00 N ATOM 0 H ARG B 87 11.062 9.502 9.162 1.00 0.00 H new ATOM 0 HA ARG B 87 12.399 9.984 6.685 1.00 0.00 H new ATOM 0 HB2 ARG B 87 12.431 11.264 9.433 1.00 0.00 H new ATOM 0 HB3 ARG B 87 13.501 11.810 8.157 1.00 0.00 H new ATOM 0 HG2 ARG B 87 11.538 13.235 8.237 1.00 0.00 H new ATOM 0 HG3 ARG B 87 11.546 12.340 6.731 1.00 0.00 H new ATOM 0 HD2 ARG B 87 9.296 12.370 7.692 1.00 0.00 H new ATOM 0 HD3 ARG B 87 9.915 10.732 7.642 1.00 0.00 H new ATOM 0 HE ARG B 87 10.460 12.016 10.198 1.00 0.00 H new ATOM 0 HH11 ARG B 87 7.988 10.378 8.267 1.00 0.00 H new ATOM 0 HH12 ARG B 87 7.103 9.798 9.681 1.00 0.00 H new ATOM 0 HH21 ARG B 87 9.311 11.260 12.007 1.00 0.00 H new ATOM 0 HH22 ARG B 87 7.848 10.295 11.787 1.00 0.00 H new ATOM 1418 N ASP B 88 13.905 8.222 8.829 1.00 0.00 N ATOM 1419 CA ASP B 88 15.116 7.518 9.188 1.00 0.00 C ATOM 1420 C ASP B 88 15.530 6.566 8.080 1.00 0.00 C ATOM 1421 O ASP B 88 16.649 6.058 8.068 1.00 0.00 O ATOM 1422 CB ASP B 88 14.884 6.729 10.470 1.00 0.00 C ATOM 1423 CG ASP B 88 14.605 7.613 11.663 1.00 0.00 C ATOM 1424 OD1 ASP B 88 15.527 8.315 12.120 1.00 0.00 O ATOM 1425 OD2 ASP B 88 13.463 7.600 12.165 1.00 0.00 O ATOM 0 H ASP B 88 13.058 7.835 9.246 1.00 0.00 H new ATOM 0 HA ASP B 88 15.911 8.248 9.339 1.00 0.00 H new ATOM 0 HB2 ASP B 88 14.045 6.048 10.325 1.00 0.00 H new ATOM 0 HB3 ASP B 88 15.761 6.115 10.676 1.00 0.00 H new ATOM 1430 N ILE B 89 14.621 6.326 7.153 1.00 0.00 N ATOM 1431 CA ILE B 89 14.848 5.355 6.101 1.00 0.00 C ATOM 1432 C ILE B 89 14.929 6.031 4.742 1.00 0.00 C ATOM 1433 O ILE B 89 14.107 6.889 4.408 1.00 0.00 O ATOM 1434 CB ILE B 89 13.728 4.295 6.088 1.00 0.00 C ATOM 1435 CG1 ILE B 89 13.666 3.590 7.446 1.00 0.00 C ATOM 1436 CG2 ILE B 89 13.942 3.285 4.966 1.00 0.00 C ATOM 1437 CD1 ILE B 89 12.591 2.532 7.539 1.00 0.00 C ATOM 0 H ILE B 89 13.715 6.793 7.108 1.00 0.00 H new ATOM 0 HA ILE B 89 15.800 4.865 6.304 1.00 0.00 H new ATOM 0 HB ILE B 89 12.777 4.796 5.905 1.00 0.00 H new ATOM 0 HG12 ILE B 89 14.633 3.130 7.650 1.00 0.00 H new ATOM 0 HG13 ILE B 89 13.497 4.335 8.224 1.00 0.00 H new ATOM 0 HG21 ILE B 89 13.138 2.549 4.980 1.00 0.00 H new ATOM 0 HG22 ILE B 89 13.944 3.802 4.006 1.00 0.00 H new ATOM 0 HG23 ILE B 89 14.898 2.780 5.108 1.00 0.00 H new ATOM 0 HD11 ILE B 89 12.611 2.079 8.530 1.00 0.00 H new ATOM 0 HD12 ILE B 89 11.616 2.988 7.368 1.00 0.00 H new ATOM 0 HD13 ILE B 89 12.770 1.765 6.786 1.00 0.00 H new ATOM 1449 N VAL B 90 15.935 5.653 3.969 1.00 0.00 N ATOM 1450 CA VAL B 90 16.084 6.156 2.616 1.00 0.00 C ATOM 1451 C VAL B 90 15.223 5.326 1.667 1.00 0.00 C ATOM 1452 O VAL B 90 15.311 4.097 1.638 1.00 0.00 O ATOM 1453 CB VAL B 90 17.561 6.155 2.151 1.00 0.00 C ATOM 1454 CG1 VAL B 90 18.152 4.752 2.168 1.00 0.00 C ATOM 1455 CG2 VAL B 90 17.683 6.776 0.767 1.00 0.00 C ATOM 0 H VAL B 90 16.661 4.998 4.258 1.00 0.00 H new ATOM 0 HA VAL B 90 15.750 7.193 2.604 1.00 0.00 H new ATOM 0 HB VAL B 90 18.133 6.759 2.855 1.00 0.00 H new ATOM 0 HG11 VAL B 90 19.189 4.790 1.836 1.00 0.00 H new ATOM 0 HG12 VAL B 90 18.110 4.352 3.181 1.00 0.00 H new ATOM 0 HG13 VAL B 90 17.580 4.108 1.499 1.00 0.00 H new ATOM 0 HG21 VAL B 90 18.727 6.767 0.455 1.00 0.00 H new ATOM 0 HG22 VAL B 90 17.088 6.202 0.057 1.00 0.00 H new ATOM 0 HG23 VAL B 90 17.321 7.804 0.796 1.00 0.00 H new ATOM 1465 N VAL B 91 14.370 5.999 0.919 1.00 0.00 N ATOM 1466 CA VAL B 91 13.414 5.319 0.072 1.00 0.00 C ATOM 1467 C VAL B 91 13.313 5.981 -1.298 1.00 0.00 C ATOM 1468 O VAL B 91 13.305 7.207 -1.416 1.00 0.00 O ATOM 1469 CB VAL B 91 12.029 5.269 0.757 1.00 0.00 C ATOM 1470 CG1 VAL B 91 11.647 6.627 1.314 1.00 0.00 C ATOM 1471 CG2 VAL B 91 10.964 4.770 -0.202 1.00 0.00 C ATOM 0 H VAL B 91 14.321 7.017 0.882 1.00 0.00 H new ATOM 0 HA VAL B 91 13.767 4.299 -0.080 1.00 0.00 H new ATOM 0 HB VAL B 91 12.097 4.566 1.587 1.00 0.00 H new ATOM 0 HG11 VAL B 91 10.669 6.563 1.790 1.00 0.00 H new ATOM 0 HG12 VAL B 91 12.388 6.940 2.049 1.00 0.00 H new ATOM 0 HG13 VAL B 91 11.609 7.355 0.504 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.000 4.745 0.306 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.905 5.439 -1.060 1.00 0.00 H new ATOM 0 HG23 VAL B 91 11.221 3.767 -0.542 1.00 0.00 H new ATOM 1481 N ASN B 92 13.261 5.146 -2.323 1.00 0.00 N ATOM 1482 CA ASN B 92 13.119 5.596 -3.699 1.00 0.00 C ATOM 1483 C ASN B 92 12.168 4.676 -4.440 1.00 0.00 C ATOM 1484 O ASN B 92 11.885 3.579 -3.965 1.00 0.00 O ATOM 1485 CB ASN B 92 14.470 5.630 -4.424 1.00 0.00 C ATOM 1486 CG ASN B 92 15.551 4.846 -3.708 1.00 0.00 C ATOM 1487 OD1 ASN B 92 16.391 5.415 -3.010 1.00 0.00 O ATOM 1488 ND2 ASN B 92 15.508 3.533 -3.838 1.00 0.00 N ATOM 0 H ASN B 92 13.316 4.132 -2.224 1.00 0.00 H new ATOM 0 HA ASN B 92 12.720 6.610 -3.681 1.00 0.00 H new ATOM 0 HB2 ASN B 92 14.345 5.229 -5.430 1.00 0.00 H new ATOM 0 HB3 ASN B 92 14.792 6.666 -4.531 1.00 0.00 H new ATOM 0 HD21 ASN B 92 16.188 2.950 -3.350 1.00 0.00 H new ATOM 0 HD22 ASN B 92 14.795 3.102 -4.427 1.00 0.00 H new ATOM 1495 N ALA B 93 11.701 5.102 -5.605 1.00 0.00 N ATOM 1496 CA ALA B 93 10.746 4.321 -6.391 1.00 0.00 C ATOM 1497 C ALA B 93 11.318 2.957 -6.758 1.00 0.00 C ATOM 1498 O ALA B 93 10.585 1.989 -6.956 1.00 0.00 O ATOM 1499 CB ALA B 93 10.359 5.086 -7.644 1.00 0.00 C ATOM 0 H ALA B 93 11.968 5.989 -6.032 1.00 0.00 H new ATOM 0 HA ALA B 93 9.857 4.157 -5.783 1.00 0.00 H new ATOM 0 HB1 ALA B 93 9.648 4.498 -8.224 1.00 0.00 H new ATOM 0 HB2 ALA B 93 9.902 6.035 -7.364 1.00 0.00 H new ATOM 0 HB3 ALA B 93 11.249 5.275 -8.245 1.00 0.00 H new ATOM 1505 N ALA B 94 12.635 2.891 -6.815 1.00 0.00 N ATOM 1506 CA ALA B 94 13.336 1.665 -7.189 1.00 0.00 C ATOM 1507 C ALA B 94 13.441 0.712 -6.004 1.00 0.00 C ATOM 1508 O ALA B 94 13.779 -0.460 -6.161 1.00 0.00 O ATOM 1509 CB ALA B 94 14.720 1.998 -7.718 1.00 0.00 C ATOM 0 H ALA B 94 13.251 3.677 -6.606 1.00 0.00 H new ATOM 0 HA ALA B 94 12.763 1.169 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA B 94 15.235 1.078 -7.994 1.00 0.00 H new ATOM 0 HB2 ALA B 94 14.630 2.640 -8.594 1.00 0.00 H new ATOM 0 HB3 ALA B 94 15.290 2.515 -6.946 1.00 0.00 H new ATOM 1515 N ASP B 95 13.148 1.227 -4.822 1.00 0.00 N ATOM 1516 CA ASP B 95 13.248 0.451 -3.591 1.00 0.00 C ATOM 1517 C ASP B 95 11.854 0.089 -3.100 1.00 0.00 C ATOM 1518 O ASP B 95 11.661 -0.873 -2.360 1.00 0.00 O ATOM 1519 CB ASP B 95 13.990 1.271 -2.535 1.00 0.00 C ATOM 1520 CG ASP B 95 14.446 0.456 -1.346 1.00 0.00 C ATOM 1521 OD1 ASP B 95 14.930 -0.678 -1.547 1.00 0.00 O ATOM 1522 OD2 ASP B 95 14.358 0.964 -0.211 1.00 0.00 O ATOM 0 H ASP B 95 12.836 2.188 -4.685 1.00 0.00 H new ATOM 0 HA ASP B 95 13.801 -0.469 -3.779 1.00 0.00 H new ATOM 0 HB2 ASP B 95 14.858 1.742 -2.997 1.00 0.00 H new ATOM 0 HB3 ASP B 95 13.340 2.073 -2.187 1.00 0.00 H new ATOM 1527 N ILE B 96 10.887 0.878 -3.540 1.00 0.00 N ATOM 1528 CA ILE B 96 9.490 0.681 -3.192 1.00 0.00 C ATOM 1529 C ILE B 96 8.884 -0.473 -3.981 1.00 0.00 C ATOM 1530 O ILE B 96 8.811 -0.432 -5.210 1.00 0.00 O ATOM 1531 CB ILE B 96 8.705 1.973 -3.473 1.00 0.00 C ATOM 1532 CG1 ILE B 96 9.161 3.075 -2.527 1.00 0.00 C ATOM 1533 CG2 ILE B 96 7.206 1.748 -3.338 1.00 0.00 C ATOM 1534 CD1 ILE B 96 8.761 4.453 -2.987 1.00 0.00 C ATOM 0 H ILE B 96 11.051 1.677 -4.152 1.00 0.00 H new ATOM 0 HA ILE B 96 9.430 0.435 -2.132 1.00 0.00 H new ATOM 0 HB ILE B 96 8.906 2.277 -4.500 1.00 0.00 H new ATOM 0 HG12 ILE B 96 8.741 2.893 -1.538 1.00 0.00 H new ATOM 0 HG13 ILE B 96 10.245 3.033 -2.426 1.00 0.00 H new ATOM 0 HG21 ILE B 96 6.678 2.680 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE B 96 6.887 0.986 -4.049 1.00 0.00 H new ATOM 0 HG23 ILE B 96 6.978 1.417 -2.325 1.00 0.00 H new ATOM 0 HD11 ILE B 96 9.116 5.193 -2.270 1.00 0.00 H new ATOM 0 HD12 ILE B 96 9.203 4.653 -3.963 1.00 0.00 H new ATOM 0 HD13 ILE B 96 7.675 4.511 -3.061 1.00 0.00 H new ATOM 1546 N LYS B 97 8.465 -1.503 -3.266 1.00 0.00 N ATOM 1547 CA LYS B 97 7.877 -2.678 -3.884 1.00 0.00 C ATOM 1548 C LYS B 97 6.388 -2.758 -3.552 1.00 0.00 C ATOM 1549 O LYS B 97 6.015 -3.009 -2.405 1.00 0.00 O ATOM 1550 CB LYS B 97 8.601 -3.938 -3.399 1.00 0.00 C ATOM 1551 CG LYS B 97 10.120 -3.837 -3.449 1.00 0.00 C ATOM 1552 CD LYS B 97 10.625 -3.486 -4.847 1.00 0.00 C ATOM 1553 CE LYS B 97 10.239 -4.544 -5.871 1.00 0.00 C ATOM 1554 NZ LYS B 97 10.673 -4.182 -7.247 1.00 0.00 N ATOM 0 H LYS B 97 8.522 -1.548 -2.249 1.00 0.00 H new ATOM 0 HA LYS B 97 7.987 -2.604 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS B 97 8.295 -4.149 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS B 97 8.283 -4.784 -4.008 1.00 0.00 H new ATOM 0 HG2 LYS B 97 10.456 -3.079 -2.741 1.00 0.00 H new ATOM 0 HG3 LYS B 97 10.557 -4.784 -3.133 1.00 0.00 H new ATOM 0 HD2 LYS B 97 10.216 -2.522 -5.149 1.00 0.00 H new ATOM 0 HD3 LYS B 97 11.710 -3.380 -4.825 1.00 0.00 H new ATOM 0 HE2 LYS B 97 10.686 -5.498 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS B 97 9.158 -4.682 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 97 10.388 -4.932 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS B 97 10.227 -3.285 -7.527 1.00 0.00 H new ATOM 0 HZ3 LYS B 97 11.707 -4.076 -7.268 1.00 0.00 H new ATOM 1568 N ILE B 98 5.546 -2.522 -4.552 1.00 0.00 N ATOM 1569 CA ILE B 98 4.100 -2.527 -4.361 1.00 0.00 C ATOM 1570 C ILE B 98 3.441 -3.687 -5.113 1.00 0.00 C ATOM 1571 O ILE B 98 3.493 -3.763 -6.347 1.00 0.00 O ATOM 1572 CB ILE B 98 3.477 -1.195 -4.824 1.00 0.00 C ATOM 1573 CG1 ILE B 98 4.124 -0.021 -4.088 1.00 0.00 C ATOM 1574 CG2 ILE B 98 1.976 -1.200 -4.600 1.00 0.00 C ATOM 1575 CD1 ILE B 98 3.542 1.322 -4.464 1.00 0.00 C ATOM 0 H ILE B 98 5.842 -2.324 -5.508 1.00 0.00 H new ATOM 0 HA ILE B 98 3.918 -2.654 -3.294 1.00 0.00 H new ATOM 0 HB ILE B 98 3.663 -1.081 -5.892 1.00 0.00 H new ATOM 0 HG12 ILE B 98 4.011 -0.169 -3.014 1.00 0.00 H new ATOM 0 HG13 ILE B 98 5.194 -0.016 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE B 98 1.555 -0.251 -4.933 1.00 0.00 H new ATOM 0 HG22 ILE B 98 1.526 -2.015 -5.167 1.00 0.00 H new ATOM 0 HG23 ILE B 98 1.767 -1.337 -3.539 1.00 0.00 H new ATOM 0 HD11 ILE B 98 4.049 2.108 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE B 98 3.679 1.492 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE B 98 2.478 1.336 -4.228 1.00 0.00 H new ATOM 1587 N PHE B 99 2.803 -4.577 -4.363 1.00 0.00 N ATOM 1588 CA PHE B 99 2.172 -5.759 -4.935 1.00 0.00 C ATOM 1589 C PHE B 99 0.725 -5.866 -4.474 1.00 0.00 C ATOM 1590 O PHE B 99 0.451 -6.006 -3.282 1.00 0.00 O ATOM 1591 CB PHE B 99 2.912 -7.030 -4.518 1.00 0.00 C ATOM 1592 CG PHE B 99 4.377 -7.059 -4.860 1.00 0.00 C ATOM 1593 CD1 PHE B 99 5.315 -6.588 -3.960 1.00 0.00 C ATOM 1594 CD2 PHE B 99 4.817 -7.579 -6.068 1.00 0.00 C ATOM 1595 CE1 PHE B 99 6.659 -6.631 -4.258 1.00 0.00 C ATOM 1596 CE2 PHE B 99 6.161 -7.625 -6.370 1.00 0.00 C ATOM 1597 CZ PHE B 99 7.084 -7.150 -5.463 1.00 0.00 C ATOM 0 H PHE B 99 2.709 -4.501 -3.350 1.00 0.00 H new ATOM 0 HA PHE B 99 2.209 -5.658 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE B 99 2.804 -7.157 -3.441 1.00 0.00 H new ATOM 0 HB3 PHE B 99 2.428 -7.885 -4.990 1.00 0.00 H new ATOM 0 HD1 PHE B 99 4.990 -6.182 -3.013 1.00 0.00 H new ATOM 0 HD2 PHE B 99 4.097 -7.953 -6.781 1.00 0.00 H new ATOM 0 HE1 PHE B 99 7.381 -6.258 -3.547 1.00 0.00 H new ATOM 0 HE2 PHE B 99 6.490 -8.032 -7.315 1.00 0.00 H new ATOM 0 HZ PHE B 99 8.138 -7.184 -5.696 1.00 0.00 H new ATOM 1607 N HIS B 100 -0.196 -5.805 -5.413 1.00 0.00 N ATOM 1608 CA HIS B 100 -1.613 -5.921 -5.093 1.00 0.00 C ATOM 1609 C HIS B 100 -2.118 -7.334 -5.353 1.00 0.00 C ATOM 1610 O HIS B 100 -2.216 -7.765 -6.501 1.00 0.00 O ATOM 1611 CB HIS B 100 -2.446 -4.925 -5.911 1.00 0.00 C ATOM 1612 CG HIS B 100 -3.912 -4.964 -5.601 1.00 0.00 C ATOM 1613 ND1 HIS B 100 -4.884 -5.192 -6.554 1.00 0.00 N ATOM 1614 CD2 HIS B 100 -4.573 -4.799 -4.430 1.00 0.00 C ATOM 1615 CE1 HIS B 100 -6.072 -5.168 -5.983 1.00 0.00 C ATOM 1616 NE2 HIS B 100 -5.911 -4.930 -4.696 1.00 0.00 N ATOM 0 H HIS B 100 0.006 -5.676 -6.405 1.00 0.00 H new ATOM 0 HA HIS B 100 -1.725 -5.692 -4.033 1.00 0.00 H new ATOM 0 HB2 HIS B 100 -2.072 -3.917 -5.729 1.00 0.00 H new ATOM 0 HB3 HIS B 100 -2.303 -5.131 -6.972 1.00 0.00 H new ATOM 0 HD1 HIS B 100 -4.710 -5.354 -7.546 1.00 0.00 H new ATOM 0 HD2 HIS B 100 -4.128 -4.601 -3.466 1.00 0.00 H new ATOM 0 HE1 HIS B 100 -7.017 -5.318 -6.484 1.00 0.00 H new ATOM 1625 N ILE B 101 -2.426 -8.055 -4.289 1.00 0.00 N ATOM 1626 CA ILE B 101 -3.127 -9.317 -4.422 1.00 0.00 C ATOM 1627 C ILE B 101 -4.626 -9.058 -4.319 1.00 0.00 C ATOM 1628 O ILE B 101 -5.140 -8.726 -3.249 1.00 0.00 O ATOM 1629 CB ILE B 101 -2.698 -10.365 -3.363 1.00 0.00 C ATOM 1630 CG1 ILE B 101 -1.280 -10.883 -3.626 1.00 0.00 C ATOM 1631 CG2 ILE B 101 -3.668 -11.532 -3.351 1.00 0.00 C ATOM 1632 CD1 ILE B 101 -0.178 -10.052 -3.026 1.00 0.00 C ATOM 0 H ILE B 101 -2.203 -7.789 -3.330 1.00 0.00 H new ATOM 0 HA ILE B 101 -2.870 -9.738 -5.394 1.00 0.00 H new ATOM 0 HB ILE B 101 -2.709 -9.870 -2.392 1.00 0.00 H new ATOM 0 HG12 ILE B 101 -1.202 -11.898 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE B 101 -1.125 -10.942 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE B 101 -3.353 -12.259 -2.602 1.00 0.00 H new ATOM 0 HG22 ILE B 101 -4.668 -11.172 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE B 101 -3.681 -12.005 -4.333 1.00 0.00 H new ATOM 0 HD11 ILE B 101 0.787 -10.499 -3.266 1.00 0.00 H new ATOM 0 HD12 ILE B 101 -0.221 -9.042 -3.433 1.00 0.00 H new ATOM 0 HD13 ILE B 101 -0.300 -10.013 -1.944 1.00 0.00 H new ATOM 1644 N ARG B 102 -5.323 -9.191 -5.436 1.00 0.00 N ATOM 1645 CA ARG B 102 -6.741 -8.861 -5.496 1.00 0.00 C ATOM 1646 C ARG B 102 -7.605 -9.994 -4.949 1.00 0.00 C ATOM 1647 O ARG B 102 -8.768 -9.784 -4.608 1.00 0.00 O ATOM 1648 CB ARG B 102 -7.147 -8.509 -6.929 1.00 0.00 C ATOM 1649 CG ARG B 102 -6.794 -9.570 -7.958 1.00 0.00 C ATOM 1650 CD ARG B 102 -7.025 -9.059 -9.369 1.00 0.00 C ATOM 1651 NE ARG B 102 -8.432 -8.753 -9.621 1.00 0.00 N ATOM 1652 CZ ARG B 102 -8.870 -7.611 -10.152 1.00 0.00 C ATOM 1653 NH1 ARG B 102 -8.026 -6.619 -10.412 1.00 0.00 N ATOM 1654 NH2 ARG B 102 -10.164 -7.449 -10.394 1.00 0.00 N ATOM 0 H ARG B 102 -4.930 -9.526 -6.316 1.00 0.00 H new ATOM 0 HA ARG B 102 -6.908 -7.990 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG B 102 -8.223 -8.336 -6.957 1.00 0.00 H new ATOM 0 HB3 ARG B 102 -6.666 -7.572 -7.211 1.00 0.00 H new ATOM 0 HG2 ARG B 102 -5.751 -9.863 -7.840 1.00 0.00 H new ATOM 0 HG3 ARG B 102 -7.397 -10.462 -7.787 1.00 0.00 H new ATOM 0 HD2 ARG B 102 -6.425 -8.164 -9.532 1.00 0.00 H new ATOM 0 HD3 ARG B 102 -6.683 -9.807 -10.085 1.00 0.00 H new ATOM 0 HE ARG B 102 -9.125 -9.460 -9.374 1.00 0.00 H new ATOM 0 HH11 ARG B 102 -7.033 -6.727 -10.205 1.00 0.00 H new ATOM 0 HH12 ARG B 102 -8.371 -5.749 -10.818 1.00 0.00 H new ATOM 0 HH21 ARG B 102 -10.822 -8.197 -10.174 1.00 0.00 H new ATOM 0 HH22 ARG B 102 -10.502 -6.576 -10.800 1.00 0.00 H new ATOM 1668 N LYS B 103 -7.033 -11.187 -4.856 1.00 0.00 N ATOM 1669 CA LYS B 103 -7.743 -12.332 -4.301 1.00 0.00 C ATOM 1670 C LYS B 103 -7.937 -12.150 -2.799 1.00 0.00 C ATOM 1671 O LYS B 103 -9.038 -12.311 -2.276 1.00 0.00 O ATOM 1672 CB LYS B 103 -6.976 -13.625 -4.592 1.00 0.00 C ATOM 1673 CG LYS B 103 -7.694 -14.887 -4.134 1.00 0.00 C ATOM 1674 CD LYS B 103 -6.994 -16.142 -4.637 1.00 0.00 C ATOM 1675 CE LYS B 103 -5.618 -16.317 -4.012 1.00 0.00 C ATOM 1676 NZ LYS B 103 -5.698 -16.685 -2.572 1.00 0.00 N ATOM 0 H LYS B 103 -6.079 -11.387 -5.158 1.00 0.00 H new ATOM 0 HA LYS B 103 -8.723 -12.401 -4.772 1.00 0.00 H new ATOM 0 HB2 LYS B 103 -6.792 -13.693 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS B 103 -6.003 -13.576 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS B 103 -7.739 -14.906 -3.045 1.00 0.00 H new ATOM 0 HG3 LYS B 103 -8.722 -14.873 -4.495 1.00 0.00 H new ATOM 0 HD2 LYS B 103 -7.608 -17.014 -4.412 1.00 0.00 H new ATOM 0 HD3 LYS B 103 -6.896 -16.092 -5.721 1.00 0.00 H new ATOM 0 HE2 LYS B 103 -5.071 -17.089 -4.553 1.00 0.00 H new ATOM 0 HE3 LYS B 103 -5.052 -15.391 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS B 103 -4.820 -17.163 -2.287 1.00 0.00 H new ATOM 0 HZ2 LYS B 103 -5.826 -15.825 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 103 -6.505 -17.324 -2.421 1.00 0.00 H new ATOM 1690 N GLU B 104 -6.865 -11.778 -2.115 1.00 0.00 N ATOM 1691 CA GLU B 104 -6.921 -11.517 -0.683 1.00 0.00 C ATOM 1692 C GLU B 104 -7.329 -10.073 -0.426 1.00 0.00 C ATOM 1693 O GLU B 104 -7.465 -9.644 0.720 1.00 0.00 O ATOM 1694 CB GLU B 104 -5.562 -11.787 -0.029 1.00 0.00 C ATOM 1695 CG GLU B 104 -4.988 -13.159 -0.341 1.00 0.00 C ATOM 1696 CD GLU B 104 -5.933 -14.281 0.018 1.00 0.00 C ATOM 1697 OE1 GLU B 104 -6.046 -14.611 1.215 1.00 0.00 O ATOM 1698 OE2 GLU B 104 -6.571 -14.836 -0.899 1.00 0.00 O ATOM 0 H GLU B 104 -5.942 -11.650 -2.530 1.00 0.00 H new ATOM 0 HA GLU B 104 -7.662 -12.186 -0.246 1.00 0.00 H new ATOM 0 HB2 GLU B 104 -4.855 -11.025 -0.357 1.00 0.00 H new ATOM 0 HB3 GLU B 104 -5.663 -11.684 1.051 1.00 0.00 H new ATOM 0 HG2 GLU B 104 -4.750 -13.216 -1.403 1.00 0.00 H new ATOM 0 HG3 GLU B 104 -4.052 -13.289 0.203 1.00 0.00 H new ATOM 1705 N ARG B 105 -7.514 -9.334 -1.524 1.00 0.00 N ATOM 1706 CA ARG B 105 -7.841 -7.909 -1.484 1.00 0.00 C ATOM 1707 C ARG B 105 -6.836 -7.154 -0.629 1.00 0.00 C ATOM 1708 O ARG B 105 -7.194 -6.227 0.095 1.00 0.00 O ATOM 1709 CB ARG B 105 -9.264 -7.666 -0.959 1.00 0.00 C ATOM 1710 CG ARG B 105 -10.360 -8.265 -1.827 1.00 0.00 C ATOM 1711 CD ARG B 105 -10.646 -9.711 -1.457 1.00 0.00 C ATOM 1712 NE ARG B 105 -11.127 -9.840 -0.082 1.00 0.00 N ATOM 1713 CZ ARG B 105 -11.009 -10.946 0.653 1.00 0.00 C ATOM 1714 NH1 ARG B 105 -10.424 -12.029 0.151 1.00 0.00 N ATOM 1715 NH2 ARG B 105 -11.484 -10.966 1.891 1.00 0.00 N ATOM 0 H ARG B 105 -7.440 -9.711 -2.469 1.00 0.00 H new ATOM 0 HA ARG B 105 -7.792 -7.536 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG B 105 -9.344 -8.081 0.046 1.00 0.00 H new ATOM 0 HB3 ARG B 105 -9.429 -6.592 -0.874 1.00 0.00 H new ATOM 0 HG2 ARG B 105 -11.271 -7.676 -1.721 1.00 0.00 H new ATOM 0 HG3 ARG B 105 -10.065 -8.209 -2.875 1.00 0.00 H new ATOM 0 HD2 ARG B 105 -11.390 -10.120 -2.141 1.00 0.00 H new ATOM 0 HD3 ARG B 105 -9.739 -10.303 -1.581 1.00 0.00 H new ATOM 0 HE ARG B 105 -11.582 -9.032 0.342 1.00 0.00 H new ATOM 0 HH11 ARG B 105 -10.062 -12.017 -0.802 1.00 0.00 H new ATOM 0 HH12 ARG B 105 -10.337 -12.872 0.719 1.00 0.00 H new ATOM 0 HH21 ARG B 105 -11.937 -10.138 2.277 1.00 0.00 H new ATOM 0 HH22 ARG B 105 -11.396 -11.810 2.457 1.00 0.00 H new ATOM 1729 N THR B 106 -5.572 -7.543 -0.726 1.00 0.00 N ATOM 1730 CA THR B 106 -4.552 -6.992 0.138 1.00 0.00 C ATOM 1731 C THR B 106 -3.395 -6.425 -0.677 1.00 0.00 C ATOM 1732 O THR B 106 -2.856 -7.089 -1.565 1.00 0.00 O ATOM 1733 CB THR B 106 -4.029 -8.059 1.122 1.00 0.00 C ATOM 1734 OG1 THR B 106 -5.125 -8.639 1.847 1.00 0.00 O ATOM 1735 CG2 THR B 106 -3.040 -7.452 2.102 1.00 0.00 C ATOM 0 H THR B 106 -5.235 -8.236 -1.394 1.00 0.00 H new ATOM 0 HA THR B 106 -5.006 -6.182 0.709 1.00 0.00 H new ATOM 0 HB THR B 106 -3.522 -8.833 0.546 1.00 0.00 H new ATOM 0 HG1 THR B 106 -5.750 -9.055 1.217 1.00 0.00 H new ATOM 0 HG21 THR B 106 -2.685 -8.223 2.786 1.00 0.00 H new ATOM 0 HG22 THR B 106 -2.195 -7.035 1.555 1.00 0.00 H new ATOM 0 HG23 THR B 106 -3.530 -6.661 2.670 1.00 0.00 H new ATOM 1743 N LEU B 107 -3.044 -5.183 -0.391 1.00 0.00 N ATOM 1744 CA LEU B 107 -1.932 -4.528 -1.048 1.00 0.00 C ATOM 1745 C LEU B 107 -0.696 -4.589 -0.160 1.00 0.00 C ATOM 1746 O LEU B 107 -0.663 -3.991 0.919 1.00 0.00 O ATOM 1747 CB LEU B 107 -2.294 -3.075 -1.369 1.00 0.00 C ATOM 1748 CG LEU B 107 -1.215 -2.265 -2.087 1.00 0.00 C ATOM 1749 CD1 LEU B 107 -0.800 -2.952 -3.372 1.00 0.00 C ATOM 1750 CD2 LEU B 107 -1.718 -0.867 -2.390 1.00 0.00 C ATOM 0 H LEU B 107 -3.521 -4.604 0.300 1.00 0.00 H new ATOM 0 HA LEU B 107 -1.714 -5.044 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU B 107 -3.194 -3.072 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU B 107 -2.543 -2.568 -0.437 1.00 0.00 H new ATOM 0 HG LEU B 107 -0.348 -2.195 -1.430 1.00 0.00 H new ATOM 0 HD11 LEU B 107 -0.031 -2.360 -3.869 1.00 0.00 H new ATOM 0 HD12 LEU B 107 -0.405 -3.942 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU B 107 -1.665 -3.048 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU B 107 -0.938 -0.303 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU B 107 -2.600 -0.928 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU B 107 -1.978 -0.364 -1.459 1.00 0.00 H new ATOM 1762 N TYR B 108 0.299 -5.339 -0.604 1.00 0.00 N ATOM 1763 CA TYR B 108 1.534 -5.500 0.144 1.00 0.00 C ATOM 1764 C TYR B 108 2.566 -4.463 -0.279 1.00 0.00 C ATOM 1765 O TYR B 108 2.908 -4.353 -1.458 1.00 0.00 O ATOM 1766 CB TYR B 108 2.099 -6.907 -0.056 1.00 0.00 C ATOM 1767 CG TYR B 108 1.217 -8.004 0.496 1.00 0.00 C ATOM 1768 CD1 TYR B 108 0.085 -8.426 -0.188 1.00 0.00 C ATOM 1769 CD2 TYR B 108 1.514 -8.614 1.706 1.00 0.00 C ATOM 1770 CE1 TYR B 108 -0.723 -9.421 0.316 1.00 0.00 C ATOM 1771 CE2 TYR B 108 0.710 -9.612 2.218 1.00 0.00 C ATOM 1772 CZ TYR B 108 -0.409 -10.012 1.519 1.00 0.00 C ATOM 1773 OH TYR B 108 -1.217 -11.004 2.024 1.00 0.00 O ATOM 0 H TYR B 108 0.274 -5.850 -1.487 1.00 0.00 H new ATOM 0 HA TYR B 108 1.309 -5.353 1.200 1.00 0.00 H new ATOM 0 HB2 TYR B 108 2.252 -7.079 -1.121 1.00 0.00 H new ATOM 0 HB3 TYR B 108 3.078 -6.966 0.420 1.00 0.00 H new ATOM 0 HD1 TYR B 108 -0.167 -7.966 -1.132 1.00 0.00 H new ATOM 0 HD2 TYR B 108 2.389 -8.303 2.257 1.00 0.00 H new ATOM 0 HE1 TYR B 108 -1.600 -9.736 -0.230 1.00 0.00 H new ATOM 0 HE2 TYR B 108 0.956 -10.077 3.161 1.00 0.00 H new ATOM 0 HH TYR B 108 -0.855 -11.317 2.880 1.00 0.00 H new ATOM 1783 N ILE B 109 3.037 -3.694 0.689 1.00 0.00 N ATOM 1784 CA ILE B 109 4.066 -2.695 0.456 1.00 0.00 C ATOM 1785 C ILE B 109 5.356 -3.104 1.156 1.00 0.00 C ATOM 1786 O ILE B 109 5.360 -3.358 2.363 1.00 0.00 O ATOM 1787 CB ILE B 109 3.637 -1.314 0.995 1.00 0.00 C ATOM 1788 CG1 ILE B 109 2.265 -0.909 0.446 1.00 0.00 C ATOM 1789 CG2 ILE B 109 4.681 -0.253 0.664 1.00 0.00 C ATOM 1790 CD1 ILE B 109 2.225 -0.738 -1.054 1.00 0.00 C ATOM 0 H ILE B 109 2.717 -3.745 1.656 1.00 0.00 H new ATOM 0 HA ILE B 109 4.221 -2.627 -0.621 1.00 0.00 H new ATOM 0 HB ILE B 109 3.558 -1.391 2.079 1.00 0.00 H new ATOM 0 HG12 ILE B 109 1.533 -1.664 0.734 1.00 0.00 H new ATOM 0 HG13 ILE B 109 1.960 0.026 0.915 1.00 0.00 H new ATOM 0 HG21 ILE B 109 4.356 0.711 1.054 1.00 0.00 H new ATOM 0 HG22 ILE B 109 5.634 -0.526 1.118 1.00 0.00 H new ATOM 0 HG23 ILE B 109 4.801 -0.185 -0.417 1.00 0.00 H new ATOM 0 HD11 ILE B 109 1.219 -0.451 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE B 109 2.930 0.039 -1.351 1.00 0.00 H new ATOM 0 HD13 ILE B 109 2.497 -1.678 -1.535 1.00 0.00 H new ATOM 1802 N TYR B 110 6.440 -3.178 0.404 1.00 0.00 N ATOM 1803 CA TYR B 110 7.738 -3.496 0.975 1.00 0.00 C ATOM 1804 C TYR B 110 8.747 -2.437 0.571 1.00 0.00 C ATOM 1805 O TYR B 110 8.935 -2.171 -0.615 1.00 0.00 O ATOM 1806 CB TYR B 110 8.224 -4.870 0.512 1.00 0.00 C ATOM 1807 CG TYR B 110 7.312 -6.019 0.885 1.00 0.00 C ATOM 1808 CD1 TYR B 110 6.274 -6.406 0.047 1.00 0.00 C ATOM 1809 CD2 TYR B 110 7.500 -6.728 2.065 1.00 0.00 C ATOM 1810 CE1 TYR B 110 5.450 -7.463 0.375 1.00 0.00 C ATOM 1811 CE2 TYR B 110 6.682 -7.790 2.397 1.00 0.00 C ATOM 1812 CZ TYR B 110 5.659 -8.152 1.549 1.00 0.00 C ATOM 1813 OH TYR B 110 4.843 -9.211 1.876 1.00 0.00 O ATOM 0 H TYR B 110 6.448 -3.022 -0.604 1.00 0.00 H new ATOM 0 HA TYR B 110 7.637 -3.516 2.060 1.00 0.00 H new ATOM 0 HB2 TYR B 110 8.341 -4.853 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR B 110 9.211 -5.054 0.937 1.00 0.00 H new ATOM 0 HD1 TYR B 110 6.109 -5.871 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR B 110 8.299 -6.444 2.734 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.645 -7.749 -0.286 1.00 0.00 H new ATOM 0 HE2 TYR B 110 6.844 -8.333 3.316 1.00 0.00 H new ATOM 0 HH TYR B 110 5.063 -9.527 2.777 1.00 0.00 H new ATOM 1823 N ILE B 111 9.376 -1.825 1.553 1.00 0.00 N ATOM 1824 CA ILE B 111 10.361 -0.790 1.296 1.00 0.00 C ATOM 1825 C ILE B 111 11.619 -1.053 2.107 1.00 0.00 C ATOM 1826 O ILE B 111 12.588 -1.597 1.541 1.00 0.00 O ATOM 1827 CB ILE B 111 9.810 0.614 1.628 1.00 0.00 C ATOM 1828 CG1 ILE B 111 8.540 0.888 0.814 1.00 0.00 C ATOM 1829 CG2 ILE B 111 10.864 1.676 1.346 1.00 0.00 C ATOM 1830 CD1 ILE B 111 7.871 2.205 1.142 1.00 0.00 C ATOM 1831 OXT ILE B 111 11.624 -0.762 3.317 1.00 0.00 O ATOM 0 H ILE B 111 9.223 -2.026 2.541 1.00 0.00 H new ATOM 0 HA ILE B 111 10.599 -0.817 0.233 1.00 0.00 H new ATOM 0 HB ILE B 111 9.559 0.651 2.688 1.00 0.00 H new ATOM 0 HG12 ILE B 111 8.791 0.874 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE B 111 7.830 0.079 0.985 1.00 0.00 H new ATOM 0 HG21 ILE B 111 10.462 2.660 1.585 1.00 0.00 H new ATOM 0 HG22 ILE B 111 11.745 1.486 1.959 1.00 0.00 H new ATOM 0 HG23 ILE B 111 11.141 1.643 0.292 1.00 0.00 H new ATOM 0 HD11 ILE B 111 6.981 2.325 0.525 1.00 0.00 H new ATOM 0 HD12 ILE B 111 7.587 2.217 2.194 1.00 0.00 H new ATOM 0 HD13 ILE B 111 8.563 3.024 0.944 1.00 0.00 H new TER 1843 ILE B 111