USER MOD reduce.3.24.130724 H: found=0, std=0, add=1099, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1100 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 TYR OH : rot -150:sc= 0.00977 USER MOD Set 1.2: A 119 TYR OH : rot -132:sc= 1.34 USER MOD Set 2.1: A 116 LYS NZ :NH3+ -161:sc= 0.931 (180deg=0.188) USER MOD Set 2.2: A 118 TYR OH : rot -178:sc= 0.0846 USER MOD Set 3.1: A 84 ASN : amide:sc= 0.588 K(o=1.4,f=-2.7!) USER MOD Set 3.2: A 87 LYS NZ :NH3+ -142:sc= 0.817 (180deg=0) USER MOD Set 4.1: A 77 HIS : no HD1:sc=-0.00754 K(o=1.2,f=0.36) USER MOD Set 4.2: A 81 THR OG1 : rot 2:sc= 1.2 USER MOD Set 5.1: A 46 THR OG1 : rot 119:sc= 0.145 USER MOD Set 5.2: A 48 ASN :FLIP amide:sc= -0.869 F(o=-2.7,f=-0.91) USER MOD Set 5.3: A 50 HIS :FLIP no HD1:sc= -0.183 F(o=-1.9,f=-0.91) USER MOD Set 6.1: A 40 TYR OH : rot -15:sc= 0.00449 USER MOD Set 6.2: A 110 THR OG1 : rot 72:sc= 1.11 USER MOD Set 7.1: A 8 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Set 7.2: A 57 ASN :FLIP amide:sc= 0 X(o=-0.024,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0.929 (180deg=0.929) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.394 F(o=-1.6!,f=-0.39) USER MOD Single : A 18 LYS NZ :NH3+ -166:sc= 0.441 (180deg=0.184) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.0119 F(o=-1,f=-0.012) USER MOD Single : A 24 ASN : amide:sc= -0.303 K(o=-0.3,f=-4.5!) USER MOD Single : A 25 TYR OH : rot 80:sc= -1.11 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 29 TYR OH : rot 130:sc= 0.87 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= 0.811 K(o=0.81,f=-4.5!) USER MOD Single : A 36 ASN : amide:sc= -1.39! C(o=-1.4!,f=-4.4!) USER MOD Single : A 38 SER OG : rot 152:sc= -0.352 USER MOD Single : A 39 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.0089) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0.928 USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= 0.79 (180deg=0.0794) USER MOD Single : A 55 ASN :FLIP amide:sc= -0.254 F(o=-1.5!,f=-0.25) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00559) USER MOD Single : A 66 ASN : amide:sc=-0.00748 X(o=-0.0075,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 66:sc= 1.25 USER MOD Single : A 83 SER OG : rot 16:sc= -0.389 USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= 1.21 (180deg=1.1) USER MOD Single : A 88 SER OG : rot 78:sc= 0.0243 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 94 GLN : amide:sc= -0.637 K(o=-0.64,f=-3!) USER MOD Single : A 99 ASN : amide:sc= -0.533 X(o=-0.53,f=-1) USER MOD Single : A 102 LYS NZ :NH3+ -169:sc=-0.00829 (180deg=-0.146) USER MOD Single : A 111 ASN : amide:sc= -1.62 K(o=-1.6,f=-2.9!) USER MOD Single : A 113 HIS : no HD1:sc= -0.0725 X(o=-0.072,f=0) USER MOD Single : A 115 GLN : amide:sc= 0.949 K(o=0.95,f=-0.04) USER MOD Single : A 120 TYR OH : rot 118:sc= 0.0292 USER MOD Single : A 121 THR OG1 : rot -116:sc= 0.887 USER MOD Single : A 124 ASN : amide:sc= -0.535 X(o=-0.54,f=-0.83) USER MOD Single : A 125 SER OG : rot 88:sc= 1.28 USER MOD Single : A 129 THR OG1 : rot 134:sc= 1.06 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -0.248 K(o=-0.25,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 7 -5.740 15.305 -14.725 1.00 0.00 N ATOM 2 CA ASP A 7 -6.377 14.064 -14.307 1.00 0.00 C ATOM 3 C ASP A 7 -6.018 13.745 -12.863 1.00 0.00 C ATOM 4 O ASP A 7 -4.852 13.810 -12.471 1.00 0.00 O ATOM 5 CB ASP A 7 -5.965 12.912 -15.231 1.00 0.00 C ATOM 6 CG ASP A 7 -6.529 11.572 -14.796 1.00 0.00 C ATOM 7 OD1 ASP A 7 -7.612 11.544 -14.175 1.00 0.00 O ATOM 8 OD2 ASP A 7 -5.894 10.536 -15.080 1.00 0.00 O ATOM 0 HA ASP A 7 -7.458 14.189 -14.375 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.301 13.129 -16.245 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.877 12.849 -15.262 1.00 0.00 H new ATOM 13 N GLN A 8 -7.027 13.388 -12.080 1.00 0.00 N ATOM 14 CA GLN A 8 -6.849 13.128 -10.658 1.00 0.00 C ATOM 15 C GLN A 8 -5.963 11.903 -10.443 1.00 0.00 C ATOM 16 O GLN A 8 -5.272 11.792 -9.427 1.00 0.00 O ATOM 17 CB GLN A 8 -8.213 12.935 -9.990 1.00 0.00 C ATOM 18 CG GLN A 8 -8.153 12.866 -8.475 1.00 0.00 C ATOM 19 CD GLN A 8 -9.525 12.919 -7.839 1.00 0.00 C ATOM 20 OE1 GLN A 8 -10.140 11.762 -7.670 1.00 0.00 O flip ATOM 21 NE2 GLN A 8 -10.034 13.991 -7.509 1.00 0.00 N flip ATOM 0 H GLN A 8 -7.985 13.271 -12.409 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.354 13.985 -10.202 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.868 13.756 -10.281 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.665 12.018 -10.368 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.652 11.945 -8.176 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.550 13.693 -8.100 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.526 14.863 -7.656 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -10.963 14.006 -7.088 1.00 0.00 H new ATOM 30 N VAL A 9 -5.969 11.000 -11.418 1.00 0.00 N ATOM 31 CA VAL A 9 -5.119 9.817 -11.376 1.00 0.00 C ATOM 32 C VAL A 9 -3.645 10.219 -11.342 1.00 0.00 C ATOM 33 O VAL A 9 -2.837 9.607 -10.641 1.00 0.00 O ATOM 34 CB VAL A 9 -5.382 8.899 -12.591 1.00 0.00 C ATOM 35 CG1 VAL A 9 -4.397 7.740 -12.638 1.00 0.00 C ATOM 36 CG2 VAL A 9 -6.810 8.378 -12.560 1.00 0.00 C ATOM 0 H VAL A 9 -6.556 11.066 -12.250 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.361 9.266 -10.467 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.240 9.493 -13.494 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.611 7.115 -13.505 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.381 8.128 -12.713 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.492 7.145 -11.730 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.981 7.733 -13.422 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.970 7.810 -11.644 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.504 9.218 -12.592 1.00 0.00 H new ATOM 46 N VAL A 10 -3.311 11.275 -12.079 1.00 0.00 N ATOM 47 CA VAL A 10 -1.939 11.759 -12.148 1.00 0.00 C ATOM 48 C VAL A 10 -1.460 12.215 -10.773 1.00 0.00 C ATOM 49 O VAL A 10 -0.367 11.854 -10.339 1.00 0.00 O ATOM 50 CB VAL A 10 -1.801 12.921 -13.155 1.00 0.00 C ATOM 51 CG1 VAL A 10 -0.359 13.388 -13.251 1.00 0.00 C ATOM 52 CG2 VAL A 10 -2.316 12.511 -14.523 1.00 0.00 C ATOM 0 H VAL A 10 -3.975 11.812 -12.637 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.318 10.930 -12.489 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.406 13.752 -12.792 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.289 14.207 -13.967 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.022 13.731 -12.273 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.270 12.562 -13.582 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.209 13.345 -15.217 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.742 11.659 -14.888 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.368 12.234 -14.448 1.00 0.00 H new ATOM 62 N ILE A 11 -2.298 12.985 -10.082 1.00 0.00 N ATOM 63 CA ILE A 11 -1.963 13.502 -8.758 1.00 0.00 C ATOM 64 C ILE A 11 -1.660 12.359 -7.793 1.00 0.00 C ATOM 65 O ILE A 11 -0.610 12.349 -7.148 1.00 0.00 O ATOM 66 CB ILE A 11 -3.095 14.392 -8.176 1.00 0.00 C ATOM 67 CG1 ILE A 11 -3.134 15.764 -8.868 1.00 0.00 C ATOM 68 CG2 ILE A 11 -2.921 14.576 -6.673 1.00 0.00 C ATOM 69 CD1 ILE A 11 -3.639 15.733 -10.293 1.00 0.00 C ATOM 0 H ILE A 11 -3.219 13.266 -10.420 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.074 14.122 -8.875 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.041 13.883 -8.362 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.768 16.433 -8.286 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.130 16.189 -8.861 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.725 15.203 -6.288 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.951 13.604 -6.181 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.962 15.054 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.633 16.743 -10.703 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.993 15.093 -10.894 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.656 15.341 -10.310 1.00 0.00 H new ATOM 81 N PHE A 12 -2.567 11.389 -7.717 1.00 0.00 N ATOM 82 CA PHE A 12 -2.390 10.252 -6.818 1.00 0.00 C ATOM 83 C PHE A 12 -1.132 9.465 -7.164 1.00 0.00 C ATOM 84 O PHE A 12 -0.335 9.146 -6.285 1.00 0.00 O ATOM 85 CB PHE A 12 -3.605 9.326 -6.862 1.00 0.00 C ATOM 86 CG PHE A 12 -4.763 9.797 -6.029 1.00 0.00 C ATOM 87 CD1 PHE A 12 -5.697 10.680 -6.543 1.00 0.00 C ATOM 88 CD2 PHE A 12 -4.915 9.350 -4.726 1.00 0.00 C ATOM 89 CE1 PHE A 12 -6.761 11.109 -5.778 1.00 0.00 C ATOM 90 CE2 PHE A 12 -5.978 9.776 -3.954 1.00 0.00 C ATOM 91 CZ PHE A 12 -6.902 10.656 -4.482 1.00 0.00 C ATOM 0 H PHE A 12 -3.428 11.367 -8.264 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.285 10.650 -5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.933 9.223 -7.896 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -3.306 8.335 -6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.591 11.038 -7.557 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.195 8.661 -4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.482 11.798 -6.192 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.086 9.422 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 12 -7.735 10.990 -3.881 1.00 0.00 H new ATOM 101 N LYS A 13 -0.953 9.168 -8.446 1.00 0.00 N ATOM 102 CA LYS A 13 0.187 8.376 -8.893 1.00 0.00 C ATOM 103 C LYS A 13 1.499 9.068 -8.537 1.00 0.00 C ATOM 104 O LYS A 13 2.418 8.432 -8.027 1.00 0.00 O ATOM 105 CB LYS A 13 0.114 8.136 -10.403 1.00 0.00 C ATOM 106 CG LYS A 13 1.164 7.163 -10.918 1.00 0.00 C ATOM 107 CD LYS A 13 1.231 7.162 -12.437 1.00 0.00 C ATOM 108 CE LYS A 13 1.772 8.479 -12.973 1.00 0.00 C ATOM 109 NZ LYS A 13 3.208 8.677 -12.631 1.00 0.00 N ATOM 0 H LYS A 13 -1.581 9.463 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 13 0.152 7.414 -8.382 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.876 7.755 -10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.230 9.089 -10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.139 7.430 -10.511 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.935 6.158 -10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.866 6.343 -12.773 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.237 6.983 -12.846 1.00 0.00 H new ATOM 0 HE2 LYS A 13 1.651 8.506 -14.056 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.186 9.303 -12.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.534 9.586 -13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.322 8.678 -11.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.772 7.905 -13.041 1.00 0.00 H new ATOM 123 N GLN A 14 1.563 10.375 -8.781 1.00 0.00 N ATOM 124 CA GLN A 14 2.772 11.154 -8.517 1.00 0.00 C ATOM 125 C GLN A 14 3.170 11.094 -7.044 1.00 0.00 C ATOM 126 O GLN A 14 4.358 11.054 -6.719 1.00 0.00 O ATOM 127 CB GLN A 14 2.573 12.607 -8.953 1.00 0.00 C ATOM 128 CG GLN A 14 2.559 12.793 -10.464 1.00 0.00 C ATOM 129 CD GLN A 14 2.215 14.212 -10.878 1.00 0.00 C ATOM 130 OE1 GLN A 14 1.376 14.874 -10.097 1.00 0.00 O flip ATOM 131 NE2 GLN A 14 2.685 14.704 -11.907 1.00 0.00 N flip ATOM 0 H GLN A 14 0.789 10.919 -9.162 1.00 0.00 H new ATOM 0 HA GLN A 14 3.583 10.714 -9.098 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.634 12.976 -8.541 1.00 0.00 H new ATOM 0 HB3 GLN A 14 3.369 13.218 -8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.537 12.528 -10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.836 12.106 -10.904 1.00 0.00 H new ATOM 0 HE21 GLN A 14 3.329 14.162 -12.483 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.430 15.653 -12.181 1.00 0.00 H new ATOM 140 N ILE A 15 2.178 11.082 -6.160 1.00 0.00 N ATOM 141 CA ILE A 15 2.437 10.960 -4.730 1.00 0.00 C ATOM 142 C ILE A 15 3.162 9.648 -4.442 1.00 0.00 C ATOM 143 O ILE A 15 4.173 9.621 -3.734 1.00 0.00 O ATOM 144 CB ILE A 15 1.133 11.017 -3.904 1.00 0.00 C ATOM 145 CG1 ILE A 15 0.392 12.332 -4.167 1.00 0.00 C ATOM 146 CG2 ILE A 15 1.435 10.867 -2.418 1.00 0.00 C ATOM 147 CD1 ILE A 15 -0.949 12.428 -3.471 1.00 0.00 C ATOM 0 H ILE A 15 1.191 11.155 -6.407 1.00 0.00 H new ATOM 0 HA ILE A 15 3.061 11.804 -4.436 1.00 0.00 H new ATOM 0 HB ILE A 15 0.494 10.190 -4.212 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.019 13.163 -3.843 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.242 12.445 -5.241 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.505 10.910 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.924 9.909 -2.241 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.093 11.675 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.413 13.386 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.595 11.619 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.806 12.348 -2.393 1.00 0.00 H new ATOM 159 N PHE A 16 2.656 8.567 -5.025 1.00 0.00 N ATOM 160 CA PHE A 16 3.248 7.250 -4.839 1.00 0.00 C ATOM 161 C PHE A 16 4.603 7.151 -5.532 1.00 0.00 C ATOM 162 O PHE A 16 5.539 6.572 -4.981 1.00 0.00 O ATOM 163 CB PHE A 16 2.307 6.152 -5.343 1.00 0.00 C ATOM 164 CG PHE A 16 1.122 5.925 -4.446 1.00 0.00 C ATOM 165 CD1 PHE A 16 1.207 5.044 -3.381 1.00 0.00 C ATOM 166 CD2 PHE A 16 -0.073 6.589 -4.666 1.00 0.00 C ATOM 167 CE1 PHE A 16 0.122 4.830 -2.552 1.00 0.00 C ATOM 168 CE2 PHE A 16 -1.162 6.381 -3.842 1.00 0.00 C ATOM 169 CZ PHE A 16 -1.064 5.500 -2.783 1.00 0.00 C ATOM 0 H PHE A 16 1.836 8.578 -5.631 1.00 0.00 H new ATOM 0 HA PHE A 16 3.404 7.106 -3.770 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.954 6.416 -6.340 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.865 5.221 -5.438 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.132 4.518 -3.196 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.155 7.279 -5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.201 4.140 -1.725 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.088 6.906 -4.025 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.913 5.335 -2.136 1.00 0.00 H new ATOM 179 N ASP A 17 4.706 7.726 -6.729 1.00 0.00 N ATOM 180 CA ASP A 17 5.971 7.743 -7.468 1.00 0.00 C ATOM 181 C ASP A 17 7.085 8.345 -6.626 1.00 0.00 C ATOM 182 O ASP A 17 8.204 7.840 -6.605 1.00 0.00 O ATOM 183 CB ASP A 17 5.853 8.527 -8.783 1.00 0.00 C ATOM 184 CG ASP A 17 5.252 7.716 -9.916 1.00 0.00 C ATOM 185 OD1 ASP A 17 5.944 6.825 -10.452 1.00 0.00 O ATOM 186 OD2 ASP A 17 4.094 7.972 -10.292 1.00 0.00 O ATOM 0 H ASP A 17 3.932 8.186 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 17 6.212 6.706 -7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.241 9.413 -8.616 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.842 8.875 -9.080 1.00 0.00 H new ATOM 191 N LYS A 18 6.773 9.417 -5.920 1.00 0.00 N ATOM 192 CA LYS A 18 7.761 10.102 -5.106 1.00 0.00 C ATOM 193 C LYS A 18 8.037 9.327 -3.818 1.00 0.00 C ATOM 194 O LYS A 18 9.187 9.019 -3.509 1.00 0.00 O ATOM 195 CB LYS A 18 7.278 11.520 -4.786 1.00 0.00 C ATOM 196 CG LYS A 18 8.376 12.458 -4.312 1.00 0.00 C ATOM 197 CD LYS A 18 7.836 13.864 -4.107 1.00 0.00 C ATOM 198 CE LYS A 18 8.948 14.898 -3.956 1.00 0.00 C ATOM 199 NZ LYS A 18 9.690 14.759 -2.675 1.00 0.00 N ATOM 0 H LYS A 18 5.842 9.833 -5.894 1.00 0.00 H new ATOM 0 HA LYS A 18 8.693 10.163 -5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.813 11.943 -5.676 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.506 11.465 -4.019 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.799 12.087 -3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.184 12.477 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.204 14.135 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.204 13.882 -3.219 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.646 14.800 -4.788 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.519 15.898 -4.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.264 15.611 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.014 14.642 -1.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.312 13.927 -2.723 1.00 0.00 H new ATOM 213 N VAL A 19 6.974 8.973 -3.098 1.00 0.00 N ATOM 214 CA VAL A 19 7.100 8.404 -1.754 1.00 0.00 C ATOM 215 C VAL A 19 7.873 7.078 -1.740 1.00 0.00 C ATOM 216 O VAL A 19 8.506 6.746 -0.739 1.00 0.00 O ATOM 217 CB VAL A 19 5.716 8.203 -1.089 1.00 0.00 C ATOM 218 CG1 VAL A 19 4.958 7.049 -1.726 1.00 0.00 C ATOM 219 CG2 VAL A 19 5.864 7.990 0.412 1.00 0.00 C ATOM 0 H VAL A 19 6.012 9.070 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 19 7.672 9.131 -1.178 1.00 0.00 H new ATOM 0 HB VAL A 19 5.135 9.111 -1.251 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.991 6.935 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.806 7.254 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.533 6.130 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.879 7.851 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.474 7.105 0.596 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.345 8.861 0.857 1.00 0.00 H new ATOM 229 N ARG A 20 7.845 6.335 -2.848 1.00 0.00 N ATOM 230 CA ARG A 20 8.533 5.042 -2.914 1.00 0.00 C ATOM 231 C ARG A 20 10.026 5.184 -2.627 1.00 0.00 C ATOM 232 O ARG A 20 10.650 4.274 -2.077 1.00 0.00 O ATOM 233 CB ARG A 20 8.354 4.385 -4.281 1.00 0.00 C ATOM 234 CG ARG A 20 6.933 3.936 -4.572 1.00 0.00 C ATOM 235 CD ARG A 20 6.832 3.285 -5.940 1.00 0.00 C ATOM 236 NE ARG A 20 7.432 4.118 -6.978 1.00 0.00 N ATOM 237 CZ ARG A 20 6.837 4.433 -8.124 1.00 0.00 C ATOM 238 NH1 ARG A 20 5.647 3.923 -8.428 1.00 0.00 N ATOM 239 NH2 ARG A 20 7.452 5.242 -8.976 1.00 0.00 N ATOM 0 H ARG A 20 7.359 6.602 -3.704 1.00 0.00 H new ATOM 0 HA ARG A 20 8.080 4.412 -2.148 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.667 5.087 -5.053 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.017 3.522 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.607 3.232 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.261 4.793 -4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.328 2.315 -5.919 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.785 3.102 -6.180 1.00 0.00 H new ATOM 0 HE ARG A 20 8.370 4.482 -6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.185 3.285 -7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.197 4.169 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.373 5.616 -8.749 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.004 5.490 -9.858 1.00 0.00 H new ATOM 253 N ASN A 21 10.589 6.325 -3.001 1.00 0.00 N ATOM 254 CA ASN A 21 12.017 6.561 -2.829 1.00 0.00 C ATOM 255 C ASN A 21 12.268 7.738 -1.890 1.00 0.00 C ATOM 256 O ASN A 21 13.312 7.820 -1.242 1.00 0.00 O ATOM 257 CB ASN A 21 12.668 6.837 -4.186 1.00 0.00 C ATOM 258 CG ASN A 21 14.188 6.844 -4.129 1.00 0.00 C ATOM 259 OD1 ASN A 21 14.763 5.991 -3.291 1.00 0.00 O flip ATOM 260 ND2 ASN A 21 14.840 7.595 -4.859 1.00 0.00 N flip ATOM 0 H ASN A 21 10.080 7.101 -3.425 1.00 0.00 H new ATOM 0 HA ASN A 21 12.458 5.667 -2.388 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.341 6.081 -4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.320 7.800 -4.560 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.360 8.237 -5.490 1.00 0.00 H new ATOM 0 HD22 ASN A 21 15.859 7.574 -4.832 1.00 0.00 H new ATOM 267 N ASP A 22 11.308 8.649 -1.823 1.00 0.00 N ATOM 268 CA ASP A 22 11.449 9.856 -1.016 1.00 0.00 C ATOM 269 C ASP A 22 11.234 9.554 0.464 1.00 0.00 C ATOM 270 O ASP A 22 11.939 10.083 1.320 1.00 0.00 O ATOM 271 CB ASP A 22 10.453 10.914 -1.483 1.00 0.00 C ATOM 272 CG ASP A 22 10.646 12.242 -0.789 1.00 0.00 C ATOM 273 OD1 ASP A 22 11.422 13.073 -1.300 1.00 0.00 O ATOM 274 OD2 ASP A 22 10.003 12.470 0.249 1.00 0.00 O ATOM 0 H ASP A 22 10.420 8.576 -2.319 1.00 0.00 H new ATOM 0 HA ASP A 22 12.463 10.234 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.554 11.053 -2.559 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.439 10.558 -1.302 1.00 0.00 H new ATOM 279 N LEU A 23 10.243 8.708 0.744 1.00 0.00 N ATOM 280 CA LEU A 23 9.974 8.208 2.096 1.00 0.00 C ATOM 281 C LEU A 23 9.389 9.257 3.040 1.00 0.00 C ATOM 282 O LEU A 23 9.354 9.032 4.250 1.00 0.00 O ATOM 283 CB LEU A 23 11.241 7.609 2.718 1.00 0.00 C ATOM 284 CG LEU A 23 11.668 6.258 2.152 1.00 0.00 C ATOM 285 CD1 LEU A 23 12.978 5.810 2.773 1.00 0.00 C ATOM 286 CD2 LEU A 23 10.585 5.222 2.395 1.00 0.00 C ATOM 0 H LEU A 23 9.601 8.348 0.038 1.00 0.00 H new ATOM 0 HA LEU A 23 9.214 7.436 1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.060 8.316 2.585 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.083 7.502 3.791 1.00 0.00 H new ATOM 0 HG LEU A 23 11.816 6.363 1.077 1.00 0.00 H new ATOM 0 HD11 LEU A 23 13.266 4.845 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 23 13.753 6.545 2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.856 5.718 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.901 4.262 1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.412 5.121 3.466 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.663 5.538 1.907 1.00 0.00 H new ATOM 298 N ASN A 24 8.924 10.388 2.522 1.00 0.00 N ATOM 299 CA ASN A 24 8.243 11.352 3.382 1.00 0.00 C ATOM 300 C ASN A 24 6.822 10.864 3.651 1.00 0.00 C ATOM 301 O ASN A 24 6.068 10.558 2.726 1.00 0.00 O ATOM 302 CB ASN A 24 8.243 12.773 2.786 1.00 0.00 C ATOM 303 CG ASN A 24 7.112 13.039 1.807 1.00 0.00 C ATOM 304 OD1 ASN A 24 6.021 13.456 2.200 1.00 0.00 O ATOM 305 ND2 ASN A 24 7.372 12.847 0.527 1.00 0.00 N ATOM 0 H ASN A 24 9.001 10.657 1.541 1.00 0.00 H new ATOM 0 HA ASN A 24 8.790 11.420 4.323 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.182 13.496 3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.194 12.942 2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.658 13.045 -0.174 1.00 0.00 H new ATOM 0 HD22 ASN A 24 8.287 12.501 0.239 1.00 0.00 H new ATOM 312 N TYR A 25 6.479 10.736 4.918 1.00 0.00 N ATOM 313 CA TYR A 25 5.194 10.169 5.289 1.00 0.00 C ATOM 314 C TYR A 25 4.175 11.229 5.686 1.00 0.00 C ATOM 315 O TYR A 25 2.972 10.976 5.638 1.00 0.00 O ATOM 316 CB TYR A 25 5.365 9.151 6.415 1.00 0.00 C ATOM 317 CG TYR A 25 6.056 7.882 5.971 1.00 0.00 C ATOM 318 CD1 TYR A 25 5.426 6.996 5.109 1.00 0.00 C ATOM 319 CD2 TYR A 25 7.332 7.566 6.416 1.00 0.00 C ATOM 320 CE1 TYR A 25 6.046 5.831 4.701 1.00 0.00 C ATOM 321 CE2 TYR A 25 7.961 6.403 6.012 1.00 0.00 C ATOM 322 CZ TYR A 25 7.314 5.540 5.155 1.00 0.00 C ATOM 323 OH TYR A 25 7.931 4.381 4.752 1.00 0.00 O ATOM 0 H TYR A 25 7.066 11.014 5.704 1.00 0.00 H new ATOM 0 HA TYR A 25 4.803 9.668 4.403 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.938 9.606 7.223 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.385 8.900 6.821 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.433 7.221 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.842 8.240 7.089 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.540 5.152 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.955 6.172 6.367 1.00 0.00 H new ATOM 0 HH TYR A 25 8.304 4.504 3.854 1.00 0.00 H new ATOM 333 N GLN A 26 4.636 12.416 6.065 1.00 0.00 N ATOM 334 CA GLN A 26 3.720 13.449 6.539 1.00 0.00 C ATOM 335 C GLN A 26 2.804 13.915 5.415 1.00 0.00 C ATOM 336 O GLN A 26 1.582 13.901 5.559 1.00 0.00 O ATOM 337 CB GLN A 26 4.474 14.639 7.129 1.00 0.00 C ATOM 338 CG GLN A 26 3.555 15.698 7.720 1.00 0.00 C ATOM 339 CD GLN A 26 4.307 16.878 8.303 1.00 0.00 C ATOM 340 OE1 GLN A 26 5.497 16.627 8.819 1.00 0.00 O flip ATOM 341 NE2 GLN A 26 3.812 18.006 8.301 1.00 0.00 N flip ATOM 0 H GLN A 26 5.620 12.685 6.055 1.00 0.00 H new ATOM 0 HA GLN A 26 3.113 13.008 7.329 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.153 14.283 7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.088 15.093 6.352 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.875 16.054 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.941 15.245 8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.890 18.158 7.892 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.324 18.788 8.708 1.00 0.00 H new ATOM 350 N TRP A 27 3.394 14.302 4.291 1.00 0.00 N ATOM 351 CA TRP A 27 2.619 14.768 3.149 1.00 0.00 C ATOM 352 C TRP A 27 1.834 13.604 2.553 1.00 0.00 C ATOM 353 O TRP A 27 0.691 13.764 2.129 1.00 0.00 O ATOM 354 CB TRP A 27 3.547 15.397 2.103 1.00 0.00 C ATOM 355 CG TRP A 27 2.835 15.998 0.930 1.00 0.00 C ATOM 356 CD1 TRP A 27 2.051 17.118 0.929 1.00 0.00 C ATOM 357 CD2 TRP A 27 2.860 15.525 -0.421 1.00 0.00 C ATOM 358 NE1 TRP A 27 1.582 17.364 -0.339 1.00 0.00 N ATOM 359 CE2 TRP A 27 2.064 16.398 -1.185 1.00 0.00 C ATOM 360 CE3 TRP A 27 3.477 14.444 -1.058 1.00 0.00 C ATOM 361 CZ2 TRP A 27 1.871 16.223 -2.554 1.00 0.00 C ATOM 362 CZ3 TRP A 27 3.285 14.272 -2.416 1.00 0.00 C ATOM 363 CH2 TRP A 27 2.488 15.157 -3.150 1.00 0.00 C ATOM 0 H TRP A 27 4.404 14.302 4.146 1.00 0.00 H new ATOM 0 HA TRP A 27 1.913 15.531 3.477 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.147 16.170 2.584 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.238 14.635 1.742 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.832 17.721 1.798 1.00 0.00 H new ATOM 0 HE1 TRP A 27 0.975 18.138 -0.607 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.093 13.755 -0.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 1.257 16.904 -3.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.758 13.441 -2.918 1.00 0.00 H new ATOM 0 HH2 TRP A 27 2.357 14.995 -4.210 1.00 0.00 H new ATOM 374 N PHE A 28 2.452 12.430 2.565 1.00 0.00 N ATOM 375 CA PHE A 28 1.819 11.217 2.068 1.00 0.00 C ATOM 376 C PHE A 28 0.524 10.929 2.826 1.00 0.00 C ATOM 377 O PHE A 28 -0.552 10.882 2.234 1.00 0.00 O ATOM 378 CB PHE A 28 2.789 10.037 2.192 1.00 0.00 C ATOM 379 CG PHE A 28 2.253 8.732 1.668 1.00 0.00 C ATOM 380 CD1 PHE A 28 1.924 8.585 0.329 1.00 0.00 C ATOM 381 CD2 PHE A 28 2.090 7.649 2.515 1.00 0.00 C ATOM 382 CE1 PHE A 28 1.440 7.383 -0.153 1.00 0.00 C ATOM 383 CE2 PHE A 28 1.606 6.445 2.039 1.00 0.00 C ATOM 384 CZ PHE A 28 1.281 6.312 0.705 1.00 0.00 C ATOM 0 H PHE A 28 3.399 12.293 2.917 1.00 0.00 H new ATOM 0 HA PHE A 28 1.567 11.360 1.017 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.707 10.280 1.657 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.056 9.911 3.241 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.047 9.419 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.344 7.746 3.560 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.187 7.282 -1.198 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.482 5.609 2.711 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.903 5.372 0.332 1.00 0.00 H new ATOM 394 N TYR A 29 0.627 10.768 4.144 1.00 0.00 N ATOM 395 CA TYR A 29 -0.538 10.452 4.969 1.00 0.00 C ATOM 396 C TYR A 29 -1.517 11.621 5.037 1.00 0.00 C ATOM 397 O TYR A 29 -2.727 11.416 5.159 1.00 0.00 O ATOM 398 CB TYR A 29 -0.114 10.037 6.380 1.00 0.00 C ATOM 399 CG TYR A 29 0.336 8.593 6.485 1.00 0.00 C ATOM 400 CD1 TYR A 29 1.648 8.230 6.217 1.00 0.00 C ATOM 401 CD2 TYR A 29 -0.557 7.596 6.854 1.00 0.00 C ATOM 402 CE1 TYR A 29 2.058 6.914 6.311 1.00 0.00 C ATOM 403 CE2 TYR A 29 -0.153 6.277 6.951 1.00 0.00 C ATOM 404 CZ TYR A 29 1.156 5.942 6.678 1.00 0.00 C ATOM 405 OH TYR A 29 1.562 4.627 6.772 1.00 0.00 O ATOM 0 H TYR A 29 1.502 10.851 4.662 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.048 9.614 4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.697 10.685 6.711 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.949 10.198 7.062 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.361 8.989 5.930 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.583 7.855 7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 29 3.083 6.649 6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.860 5.513 7.239 1.00 0.00 H new ATOM 0 HH TYR A 29 1.278 4.258 7.634 1.00 0.00 H new ATOM 415 N SER A 30 -0.999 12.843 4.952 1.00 0.00 N ATOM 416 CA SER A 30 -1.849 14.025 4.969 1.00 0.00 C ATOM 417 C SER A 30 -2.776 14.018 3.760 1.00 0.00 C ATOM 418 O SER A 30 -3.990 14.157 3.898 1.00 0.00 O ATOM 419 CB SER A 30 -1.003 15.303 4.980 1.00 0.00 C ATOM 420 OG SER A 30 -1.809 16.463 5.139 1.00 0.00 O ATOM 0 H SER A 30 -0.001 13.038 4.871 1.00 0.00 H new ATOM 0 HA SER A 30 -2.450 14.005 5.878 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.275 15.251 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.440 15.375 4.049 1.00 0.00 H new ATOM 0 HG SER A 30 -1.238 17.260 5.144 1.00 0.00 H new ATOM 426 N GLU A 31 -2.201 13.835 2.578 1.00 0.00 N ATOM 427 CA GLU A 31 -2.984 13.791 1.354 1.00 0.00 C ATOM 428 C GLU A 31 -3.833 12.529 1.300 1.00 0.00 C ATOM 429 O GLU A 31 -4.884 12.512 0.659 1.00 0.00 O ATOM 430 CB GLU A 31 -2.082 13.880 0.120 1.00 0.00 C ATOM 431 CG GLU A 31 -1.452 15.250 -0.073 1.00 0.00 C ATOM 432 CD GLU A 31 -2.484 16.350 -0.208 1.00 0.00 C ATOM 433 OE1 GLU A 31 -3.035 16.527 -1.318 1.00 0.00 O ATOM 434 OE2 GLU A 31 -2.761 17.042 0.791 1.00 0.00 O ATOM 0 H GLU A 31 -1.197 13.715 2.443 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.649 14.655 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.292 13.134 0.203 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.666 13.629 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.801 15.469 0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.823 15.235 -0.963 1.00 0.00 H new ATOM 441 N LEU A 32 -3.382 11.474 1.971 1.00 0.00 N ATOM 442 CA LEU A 32 -4.170 10.254 2.074 1.00 0.00 C ATOM 443 C LEU A 32 -5.506 10.539 2.735 1.00 0.00 C ATOM 444 O LEU A 32 -6.548 10.331 2.134 1.00 0.00 O ATOM 445 CB LEU A 32 -3.431 9.164 2.852 1.00 0.00 C ATOM 446 CG LEU A 32 -2.298 8.474 2.094 1.00 0.00 C ATOM 447 CD1 LEU A 32 -1.698 7.362 2.938 1.00 0.00 C ATOM 448 CD2 LEU A 32 -2.803 7.928 0.766 1.00 0.00 C ATOM 0 H LEU A 32 -2.481 11.440 2.448 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.337 9.891 1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.022 9.604 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.153 8.408 3.160 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.519 9.208 1.888 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.892 6.880 2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.303 7.781 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.468 6.627 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.984 7.440 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.599 7.206 0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.189 8.747 0.159 1.00 0.00 H new ATOM 460 N LYS A 33 -5.472 11.055 3.956 1.00 0.00 N ATOM 461 CA LYS A 33 -6.700 11.326 4.694 1.00 0.00 C ATOM 462 C LYS A 33 -7.462 12.490 4.063 1.00 0.00 C ATOM 463 O LYS A 33 -8.667 12.644 4.265 1.00 0.00 O ATOM 464 CB LYS A 33 -6.383 11.642 6.160 1.00 0.00 C ATOM 465 CG LYS A 33 -7.618 11.749 7.043 1.00 0.00 C ATOM 466 CD LYS A 33 -7.264 12.158 8.465 1.00 0.00 C ATOM 467 CE LYS A 33 -6.676 13.560 8.513 1.00 0.00 C ATOM 468 NZ LYS A 33 -6.400 13.994 9.904 1.00 0.00 N ATOM 0 H LYS A 33 -4.615 11.293 4.454 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.327 10.435 4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.729 10.865 6.557 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.830 12.580 6.209 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.307 12.478 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.137 10.791 7.059 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.156 12.115 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.549 11.448 8.881 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.753 13.587 7.934 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.367 14.260 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.000 14.954 9.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.285 13.992 10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.721 13.340 10.343 1.00 0.00 H new ATOM 482 N ARG A 34 -6.760 13.302 3.284 1.00 0.00 N ATOM 483 CA ARG A 34 -7.364 14.483 2.688 1.00 0.00 C ATOM 484 C ARG A 34 -7.974 14.168 1.322 1.00 0.00 C ATOM 485 O ARG A 34 -8.611 15.021 0.703 1.00 0.00 O ATOM 486 CB ARG A 34 -6.323 15.595 2.564 1.00 0.00 C ATOM 487 CG ARG A 34 -6.908 16.984 2.728 1.00 0.00 C ATOM 488 CD ARG A 34 -5.829 18.054 2.766 1.00 0.00 C ATOM 489 NE ARG A 34 -5.098 18.154 1.504 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.476 18.924 0.489 1.00 0.00 C ATOM 491 NH1 ARG A 34 -6.614 19.600 0.550 1.00 0.00 N ATOM 492 NH2 ARG A 34 -4.721 19.006 -0.594 1.00 0.00 N ATOM 0 H ARG A 34 -5.776 13.165 3.052 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.170 14.819 3.341 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.548 15.443 3.315 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.840 15.524 1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.593 17.189 1.905 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.492 17.025 3.647 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.284 19.017 2.996 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.129 17.832 3.571 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.248 17.600 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.204 19.531 1.379 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.899 20.190 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.850 18.479 -0.649 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.010 19.597 -1.374 1.00 0.00 H new ATOM 506 N HIS A 35 -7.767 12.947 0.840 1.00 0.00 N ATOM 507 CA HIS A 35 -8.369 12.519 -0.419 1.00 0.00 C ATOM 508 C HIS A 35 -9.056 11.171 -0.251 1.00 0.00 C ATOM 509 O HIS A 35 -10.259 11.041 -0.478 1.00 0.00 O ATOM 510 CB HIS A 35 -7.323 12.440 -1.538 1.00 0.00 C ATOM 511 CG HIS A 35 -6.627 13.738 -1.818 1.00 0.00 C ATOM 512 ND1 HIS A 35 -7.291 14.932 -1.993 1.00 0.00 N ATOM 513 CD2 HIS A 35 -5.311 14.026 -1.927 1.00 0.00 C ATOM 514 CE1 HIS A 35 -6.412 15.896 -2.196 1.00 0.00 C ATOM 515 NE2 HIS A 35 -5.201 15.373 -2.159 1.00 0.00 N ATOM 0 H HIS A 35 -7.191 12.240 1.298 1.00 0.00 H new ATOM 0 HA HIS A 35 -9.113 13.264 -0.701 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.578 11.690 -1.272 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.809 12.096 -2.451 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -4.495 13.323 -1.846 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.645 16.937 -2.364 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.328 15.886 -2.282 1.00 0.00 H new ATOM 524 N ASN A 36 -8.286 10.175 0.163 1.00 0.00 N ATOM 525 CA ASN A 36 -8.812 8.836 0.383 1.00 0.00 C ATOM 526 C ASN A 36 -9.436 8.746 1.767 1.00 0.00 C ATOM 527 O ASN A 36 -8.764 8.447 2.753 1.00 0.00 O ATOM 528 CB ASN A 36 -7.707 7.786 0.245 1.00 0.00 C ATOM 529 CG ASN A 36 -8.202 6.383 0.543 1.00 0.00 C ATOM 530 OD1 ASN A 36 -9.349 6.044 0.262 1.00 0.00 O ATOM 531 ND2 ASN A 36 -7.345 5.563 1.132 1.00 0.00 N ATOM 0 H ASN A 36 -7.289 10.270 0.354 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.572 8.638 -0.372 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.303 7.819 -0.767 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.889 8.032 0.923 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.629 4.612 1.368 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.401 5.882 1.349 1.00 0.00 H new ATOM 538 N VAL A 37 -10.719 9.044 1.836 1.00 0.00 N ATOM 539 CA VAL A 37 -11.437 9.015 3.101 1.00 0.00 C ATOM 540 C VAL A 37 -11.957 7.603 3.394 1.00 0.00 C ATOM 541 O VAL A 37 -12.483 7.332 4.473 1.00 0.00 O ATOM 542 CB VAL A 37 -12.612 10.024 3.093 1.00 0.00 C ATOM 543 CG1 VAL A 37 -13.201 10.203 4.486 1.00 0.00 C ATOM 544 CG2 VAL A 37 -12.168 11.366 2.527 1.00 0.00 C ATOM 0 H VAL A 37 -11.288 9.309 1.032 1.00 0.00 H new ATOM 0 HA VAL A 37 -10.741 9.303 3.889 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.391 9.616 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -14.023 10.917 4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -13.571 9.245 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.431 10.575 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.009 12.059 2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.362 11.770 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.814 11.231 1.505 1.00 0.00 H new ATOM 554 N SER A 38 -11.788 6.697 2.435 1.00 0.00 N ATOM 555 CA SER A 38 -12.253 5.326 2.603 1.00 0.00 C ATOM 556 C SER A 38 -11.094 4.328 2.578 1.00 0.00 C ATOM 557 O SER A 38 -10.487 4.057 3.614 1.00 0.00 O ATOM 558 CB SER A 38 -13.289 4.967 1.538 1.00 0.00 C ATOM 559 OG SER A 38 -14.416 5.821 1.613 1.00 0.00 O ATOM 0 H SER A 38 -11.336 6.886 1.540 1.00 0.00 H new ATOM 0 HA SER A 38 -12.725 5.263 3.583 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.838 5.041 0.548 1.00 0.00 H new ATOM 0 HB3 SER A 38 -13.604 3.932 1.668 1.00 0.00 H new ATOM 0 HG SER A 38 -14.828 5.898 0.727 1.00 0.00 H new ATOM 565 N HIS A 39 -10.770 3.798 1.399 1.00 0.00 N ATOM 566 CA HIS A 39 -9.750 2.758 1.294 1.00 0.00 C ATOM 567 C HIS A 39 -9.219 2.627 -0.129 1.00 0.00 C ATOM 568 O HIS A 39 -9.965 2.775 -1.094 1.00 0.00 O ATOM 569 CB HIS A 39 -10.305 1.399 1.762 1.00 0.00 C ATOM 570 CG HIS A 39 -11.500 0.898 0.995 1.00 0.00 C ATOM 571 ND1 HIS A 39 -12.778 0.892 1.514 1.00 0.00 N ATOM 572 CD2 HIS A 39 -11.605 0.366 -0.251 1.00 0.00 C ATOM 573 CE1 HIS A 39 -13.611 0.383 0.625 1.00 0.00 C ATOM 574 NE2 HIS A 39 -12.926 0.056 -0.452 1.00 0.00 N ATOM 0 H HIS A 39 -11.195 4.069 0.512 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.925 3.055 1.942 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.510 0.656 1.692 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -10.576 1.478 2.815 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.798 0.215 -0.953 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.675 0.256 0.758 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -13.315 -0.360 -1.298 1.00 0.00 H new ATOM 583 N TYR A 40 -7.934 2.336 -0.255 1.00 0.00 N ATOM 584 CA TYR A 40 -7.355 2.053 -1.556 1.00 0.00 C ATOM 585 C TYR A 40 -6.820 0.629 -1.585 1.00 0.00 C ATOM 586 O TYR A 40 -6.212 0.162 -0.619 1.00 0.00 O ATOM 587 CB TYR A 40 -6.257 3.067 -1.931 1.00 0.00 C ATOM 588 CG TYR A 40 -5.002 3.029 -1.081 1.00 0.00 C ATOM 589 CD1 TYR A 40 -3.935 2.203 -1.418 1.00 0.00 C ATOM 590 CD2 TYR A 40 -4.872 3.838 0.041 1.00 0.00 C ATOM 591 CE1 TYR A 40 -2.780 2.181 -0.662 1.00 0.00 C ATOM 592 CE2 TYR A 40 -3.720 3.822 0.804 1.00 0.00 C ATOM 593 CZ TYR A 40 -2.677 2.993 0.449 1.00 0.00 C ATOM 594 OH TYR A 40 -1.529 2.973 1.208 1.00 0.00 O ATOM 0 H TYR A 40 -7.276 2.290 0.523 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.141 2.151 -2.305 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.974 2.899 -2.970 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.681 4.070 -1.874 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.011 1.567 -2.287 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.685 4.491 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -1.962 1.532 -0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.637 4.456 1.674 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.999 2.181 0.978 1.00 0.00 H new ATOM 604 N ILE A 41 -7.091 -0.067 -2.675 1.00 0.00 N ATOM 605 CA ILE A 41 -6.637 -1.438 -2.844 1.00 0.00 C ATOM 606 C ILE A 41 -5.421 -1.470 -3.758 1.00 0.00 C ATOM 607 O ILE A 41 -5.538 -1.320 -4.975 1.00 0.00 O ATOM 608 CB ILE A 41 -7.749 -2.331 -3.434 1.00 0.00 C ATOM 609 CG1 ILE A 41 -9.036 -2.182 -2.616 1.00 0.00 C ATOM 610 CG2 ILE A 41 -7.298 -3.786 -3.457 1.00 0.00 C ATOM 611 CD1 ILE A 41 -10.231 -2.871 -3.236 1.00 0.00 C ATOM 0 H ILE A 41 -7.627 0.297 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.372 -1.827 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.950 -2.014 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -8.871 -2.587 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -9.260 -1.122 -2.497 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.091 -4.406 -3.875 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.402 -3.880 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.078 -4.115 -2.441 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.105 -2.723 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.422 -2.450 -4.223 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -10.028 -3.938 -3.330 1.00 0.00 H new ATOM 623 N TYR A 42 -4.261 -1.638 -3.160 1.00 0.00 N ATOM 624 CA TYR A 42 -3.005 -1.610 -3.883 1.00 0.00 C ATOM 625 C TYR A 42 -2.610 -3.029 -4.295 1.00 0.00 C ATOM 626 O TYR A 42 -2.403 -3.892 -3.442 1.00 0.00 O ATOM 627 CB TYR A 42 -1.930 -0.996 -2.979 1.00 0.00 C ATOM 628 CG TYR A 42 -0.772 -0.356 -3.707 1.00 0.00 C ATOM 629 CD1 TYR A 42 -0.015 -1.067 -4.626 1.00 0.00 C ATOM 630 CD2 TYR A 42 -0.431 0.967 -3.458 1.00 0.00 C ATOM 631 CE1 TYR A 42 1.048 -0.478 -5.278 1.00 0.00 C ATOM 632 CE2 TYR A 42 0.630 1.564 -4.107 1.00 0.00 C ATOM 633 CZ TYR A 42 1.369 0.839 -5.015 1.00 0.00 C ATOM 634 OH TYR A 42 2.428 1.428 -5.663 1.00 0.00 O ATOM 0 H TYR A 42 -4.161 -1.798 -2.158 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.108 -1.008 -4.786 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.398 -0.246 -2.342 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.541 -1.774 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.262 -2.098 -4.834 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -1.006 1.538 -2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 42 1.627 -1.045 -5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.880 2.595 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 42 2.518 2.357 -5.365 1.00 0.00 H new ATOM 644 N TYR A 43 -2.526 -3.273 -5.593 1.00 0.00 N ATOM 645 CA TYR A 43 -2.122 -4.581 -6.090 1.00 0.00 C ATOM 646 C TYR A 43 -0.646 -4.595 -6.444 1.00 0.00 C ATOM 647 O TYR A 43 -0.240 -4.044 -7.465 1.00 0.00 O ATOM 648 CB TYR A 43 -2.946 -4.985 -7.312 1.00 0.00 C ATOM 649 CG TYR A 43 -4.356 -5.401 -6.972 1.00 0.00 C ATOM 650 CD1 TYR A 43 -4.604 -6.646 -6.416 1.00 0.00 C ATOM 651 CD2 TYR A 43 -5.433 -4.552 -7.192 1.00 0.00 C ATOM 652 CE1 TYR A 43 -5.883 -7.042 -6.091 1.00 0.00 C ATOM 653 CE2 TYR A 43 -6.720 -4.938 -6.863 1.00 0.00 C ATOM 654 CZ TYR A 43 -6.939 -6.186 -6.313 1.00 0.00 C ATOM 655 OH TYR A 43 -8.213 -6.580 -5.968 1.00 0.00 O ATOM 0 H TYR A 43 -2.731 -2.587 -6.319 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.302 -5.302 -5.292 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.980 -4.149 -8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.445 -5.807 -7.823 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.779 -7.319 -6.234 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.263 -3.578 -7.626 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.057 -8.019 -5.664 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.549 -4.267 -7.035 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.847 -5.865 -6.186 1.00 0.00 H new ATOM 665 N LEU A 44 0.149 -5.251 -5.607 1.00 0.00 N ATOM 666 CA LEU A 44 1.592 -5.340 -5.817 1.00 0.00 C ATOM 667 C LEU A 44 1.912 -6.211 -7.031 1.00 0.00 C ATOM 668 O LEU A 44 3.059 -6.289 -7.476 1.00 0.00 O ATOM 669 CB LEU A 44 2.293 -5.914 -4.574 1.00 0.00 C ATOM 670 CG LEU A 44 2.211 -5.064 -3.298 1.00 0.00 C ATOM 671 CD1 LEU A 44 0.869 -5.242 -2.599 1.00 0.00 C ATOM 672 CD2 LEU A 44 3.351 -5.418 -2.356 1.00 0.00 C ATOM 0 H LEU A 44 -0.182 -5.732 -4.771 1.00 0.00 H new ATOM 0 HA LEU A 44 1.961 -4.330 -5.997 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.866 -6.894 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.344 -6.070 -4.815 1.00 0.00 H new ATOM 0 HG LEU A 44 2.301 -4.016 -3.585 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.843 -4.627 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.066 -4.937 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.737 -6.289 -2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.281 -4.808 -1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.286 -6.472 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.304 -5.228 -2.850 1.00 0.00 H new ATOM 684 N ALA A 45 0.888 -6.870 -7.561 1.00 0.00 N ATOM 685 CA ALA A 45 1.049 -7.755 -8.704 1.00 0.00 C ATOM 686 C ALA A 45 1.191 -6.967 -10.000 1.00 0.00 C ATOM 687 O ALA A 45 1.840 -7.421 -10.940 1.00 0.00 O ATOM 688 CB ALA A 45 -0.126 -8.718 -8.797 1.00 0.00 C ATOM 0 H ALA A 45 -0.069 -6.806 -7.213 1.00 0.00 H new ATOM 0 HA ALA A 45 1.965 -8.327 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.008 -9.374 -9.657 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.178 -9.317 -7.888 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.051 -8.153 -8.913 1.00 0.00 H new ATOM 694 N THR A 46 0.592 -5.784 -10.044 1.00 0.00 N ATOM 695 CA THR A 46 0.586 -4.984 -11.262 1.00 0.00 C ATOM 696 C THR A 46 0.998 -3.541 -10.988 1.00 0.00 C ATOM 697 O THR A 46 1.052 -2.729 -11.908 1.00 0.00 O ATOM 698 CB THR A 46 -0.817 -4.975 -11.895 1.00 0.00 C ATOM 699 OG1 THR A 46 -1.614 -6.031 -11.339 1.00 0.00 O ATOM 700 CG2 THR A 46 -0.736 -5.136 -13.407 1.00 0.00 C ATOM 0 H THR A 46 0.106 -5.359 -9.254 1.00 0.00 H new ATOM 0 HA THR A 46 1.305 -5.438 -11.944 1.00 0.00 H new ATOM 0 HB THR A 46 -1.281 -4.014 -11.675 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.393 -5.648 -10.884 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.741 -5.126 -13.828 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.157 -4.315 -13.830 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.251 -6.082 -13.647 1.00 0.00 H new ATOM 708 N GLU A 47 1.268 -3.232 -9.717 1.00 0.00 N ATOM 709 CA GLU A 47 1.539 -1.858 -9.281 1.00 0.00 C ATOM 710 C GLU A 47 0.314 -0.978 -9.564 1.00 0.00 C ATOM 711 O GLU A 47 0.405 0.248 -9.670 1.00 0.00 O ATOM 712 CB GLU A 47 2.797 -1.303 -9.972 1.00 0.00 C ATOM 713 CG GLU A 47 3.327 -0.003 -9.370 1.00 0.00 C ATOM 714 CD GLU A 47 3.927 -0.184 -7.991 1.00 0.00 C ATOM 715 OE1 GLU A 47 3.317 -0.877 -7.159 1.00 0.00 O ATOM 716 OE2 GLU A 47 5.007 0.389 -7.724 1.00 0.00 O ATOM 0 H GLU A 47 1.305 -3.921 -8.966 1.00 0.00 H new ATOM 0 HA GLU A 47 1.730 -1.855 -8.208 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.583 -2.057 -9.928 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.574 -1.137 -11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.082 0.416 -10.035 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.514 0.721 -9.313 1.00 0.00 H new ATOM 723 N ASN A 48 -0.846 -1.620 -9.663 1.00 0.00 N ATOM 724 CA ASN A 48 -2.085 -0.911 -9.937 1.00 0.00 C ATOM 725 C ASN A 48 -2.843 -0.707 -8.634 1.00 0.00 C ATOM 726 O ASN A 48 -2.882 -1.595 -7.779 1.00 0.00 O ATOM 727 CB ASN A 48 -2.944 -1.661 -10.976 1.00 0.00 C ATOM 728 CG ASN A 48 -3.947 -2.635 -10.378 1.00 0.00 C ATOM 729 OD1 ASN A 48 -3.572 -3.900 -10.275 1.00 0.00 O flip ATOM 730 ND2 ASN A 48 -5.069 -2.257 -10.048 1.00 0.00 N flip ATOM 0 H ASN A 48 -0.951 -2.629 -9.557 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.850 0.062 -10.368 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.482 -0.930 -11.580 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.283 -2.207 -11.649 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.324 -1.274 -10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -5.745 -2.927 -9.681 1.00 0.00 H new ATOM 737 N VAL A 49 -3.417 0.471 -8.464 1.00 0.00 N ATOM 738 CA VAL A 49 -4.057 0.820 -7.207 1.00 0.00 C ATOM 739 C VAL A 49 -5.504 1.234 -7.424 1.00 0.00 C ATOM 740 O VAL A 49 -5.795 2.079 -8.266 1.00 0.00 O ATOM 741 CB VAL A 49 -3.315 1.974 -6.497 1.00 0.00 C ATOM 742 CG1 VAL A 49 -3.734 2.061 -5.037 1.00 0.00 C ATOM 743 CG2 VAL A 49 -1.807 1.812 -6.624 1.00 0.00 C ATOM 0 H VAL A 49 -3.453 1.200 -9.177 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.022 -0.071 -6.580 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.591 2.908 -6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.201 2.880 -4.554 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.807 2.241 -4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.495 1.124 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.308 2.637 -6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.503 0.869 -6.170 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.528 1.813 -7.678 1.00 0.00 H new ATOM 753 N HIS A 50 -6.404 0.623 -6.670 1.00 0.00 N ATOM 754 CA HIS A 50 -7.817 0.984 -6.705 1.00 0.00 C ATOM 755 C HIS A 50 -8.152 1.894 -5.529 1.00 0.00 C ATOM 756 O HIS A 50 -8.501 1.413 -4.453 1.00 0.00 O ATOM 757 CB HIS A 50 -8.708 -0.264 -6.633 1.00 0.00 C ATOM 758 CG HIS A 50 -8.707 -1.123 -7.862 1.00 0.00 C ATOM 759 ND1 HIS A 50 -7.693 -1.598 -8.622 1.00 0.00 N flip ATOM 760 CD2 HIS A 50 -9.862 -1.628 -8.416 1.00 0.00 C flip ATOM 761 CE1 HIS A 50 -8.250 -2.373 -9.610 1.00 0.00 C flip ATOM 762 NE2 HIS A 50 -9.560 -2.372 -9.461 1.00 0.00 N flip ATOM 0 H HIS A 50 -6.181 -0.131 -6.021 1.00 0.00 H new ATOM 0 HA HIS A 50 -8.005 1.501 -7.646 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.388 -0.870 -5.786 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.732 0.052 -6.431 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -10.861 -1.443 -8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -7.705 -2.897 -10.381 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -10.227 -2.864 -10.055 1.00 0.00 H new ATOM 771 N ILE A 51 -8.025 3.199 -5.715 1.00 0.00 N ATOM 772 CA ILE A 51 -8.315 4.139 -4.641 1.00 0.00 C ATOM 773 C ILE A 51 -9.802 4.456 -4.611 1.00 0.00 C ATOM 774 O ILE A 51 -10.291 5.268 -5.398 1.00 0.00 O ATOM 775 CB ILE A 51 -7.526 5.471 -4.754 1.00 0.00 C ATOM 776 CG1 ILE A 51 -6.014 5.232 -4.786 1.00 0.00 C ATOM 777 CG2 ILE A 51 -7.875 6.396 -3.597 1.00 0.00 C ATOM 778 CD1 ILE A 51 -5.471 4.925 -6.163 1.00 0.00 C ATOM 0 H ILE A 51 -7.726 3.629 -6.590 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.000 3.648 -3.720 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.815 5.941 -5.694 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.508 6.115 -4.395 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.773 4.405 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.313 7.325 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.943 6.614 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.619 5.912 -2.654 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.394 4.768 -6.103 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.948 4.024 -6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.679 5.761 -6.831 1.00 0.00 H new ATOM 790 N VAL A 52 -10.518 3.790 -3.723 1.00 0.00 N ATOM 791 CA VAL A 52 -11.930 4.055 -3.545 1.00 0.00 C ATOM 792 C VAL A 52 -12.109 5.170 -2.526 1.00 0.00 C ATOM 793 O VAL A 52 -11.912 4.969 -1.326 1.00 0.00 O ATOM 794 CB VAL A 52 -12.700 2.802 -3.083 1.00 0.00 C ATOM 795 CG1 VAL A 52 -14.195 3.082 -3.029 1.00 0.00 C ATOM 796 CG2 VAL A 52 -12.409 1.626 -4.005 1.00 0.00 C ATOM 0 H VAL A 52 -10.143 3.062 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.338 4.355 -4.510 1.00 0.00 H new ATOM 0 HB VAL A 52 -12.363 2.543 -2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -14.721 2.186 -2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -14.388 3.894 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -14.548 3.368 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -12.961 0.750 -3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -12.716 1.875 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -11.341 1.409 -3.992 1.00 0.00 H new ATOM 806 N LEU A 53 -12.466 6.347 -3.019 1.00 0.00 N ATOM 807 CA LEU A 53 -12.588 7.531 -2.180 1.00 0.00 C ATOM 808 C LEU A 53 -13.795 7.437 -1.245 1.00 0.00 C ATOM 809 O LEU A 53 -14.468 6.406 -1.181 1.00 0.00 O ATOM 810 CB LEU A 53 -12.703 8.784 -3.052 1.00 0.00 C ATOM 811 CG LEU A 53 -11.536 9.021 -4.016 1.00 0.00 C ATOM 812 CD1 LEU A 53 -11.787 10.258 -4.861 1.00 0.00 C ATOM 813 CD2 LEU A 53 -10.228 9.154 -3.250 1.00 0.00 C ATOM 0 H LEU A 53 -12.678 6.508 -4.004 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.690 7.595 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -13.624 8.720 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -12.796 9.653 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.458 8.160 -4.680 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.948 10.411 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -12.702 10.125 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.892 11.127 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.411 9.322 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -10.294 9.996 -2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -10.041 8.239 -2.688 1.00 0.00 H new ATOM 825 N LYS A 54 -14.056 8.529 -0.531 1.00 0.00 N ATOM 826 CA LYS A 54 -15.162 8.615 0.423 1.00 0.00 C ATOM 827 C LYS A 54 -16.465 8.085 -0.180 1.00 0.00 C ATOM 828 O LYS A 54 -17.015 7.087 0.285 1.00 0.00 O ATOM 829 CB LYS A 54 -15.305 10.071 0.875 1.00 0.00 C ATOM 830 CG LYS A 54 -16.674 10.447 1.412 1.00 0.00 C ATOM 831 CD LYS A 54 -16.701 11.886 1.907 1.00 0.00 C ATOM 832 CE LYS A 54 -16.003 12.847 0.948 1.00 0.00 C ATOM 833 NZ LYS A 54 -16.559 12.796 -0.434 1.00 0.00 N ATOM 0 H LYS A 54 -13.504 9.384 -0.597 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.945 7.987 1.287 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.562 10.270 1.647 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.071 10.721 0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -17.422 10.316 0.630 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.944 9.775 2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -17.736 12.201 2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -16.221 11.940 2.884 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -16.092 13.863 1.332 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.940 12.610 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.335 13.681 -0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.140 11.995 -0.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -17.591 12.676 -0.389 1.00 0.00 H new ATOM 847 N ASN A 55 -16.941 8.752 -1.215 1.00 0.00 N ATOM 848 CA ASN A 55 -18.113 8.304 -1.957 1.00 0.00 C ATOM 849 C ASN A 55 -18.089 8.977 -3.318 1.00 0.00 C ATOM 850 O ASN A 55 -19.095 9.081 -4.018 1.00 0.00 O ATOM 851 CB ASN A 55 -19.401 8.655 -1.199 1.00 0.00 C ATOM 852 CG ASN A 55 -20.636 8.010 -1.804 1.00 0.00 C ATOM 853 OD1 ASN A 55 -20.491 6.794 -2.303 1.00 0.00 O flip ATOM 854 ND2 ASN A 55 -21.720 8.591 -1.795 1.00 0.00 N flip ATOM 0 H ASN A 55 -16.530 9.617 -1.567 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.092 7.221 -2.075 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.303 8.338 -0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -19.529 9.737 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -21.793 9.529 -1.401 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -22.546 8.135 -2.181 1.00 0.00 H new ATOM 861 N ASP A 56 -16.894 9.401 -3.688 1.00 0.00 N ATOM 862 CA ASP A 56 -16.688 10.233 -4.856 1.00 0.00 C ATOM 863 C ASP A 56 -16.540 9.374 -6.102 1.00 0.00 C ATOM 864 O ASP A 56 -17.460 9.285 -6.917 1.00 0.00 O ATOM 865 CB ASP A 56 -15.444 11.102 -4.648 1.00 0.00 C ATOM 866 CG ASP A 56 -15.494 11.864 -3.333 1.00 0.00 C ATOM 867 OD1 ASP A 56 -15.286 11.237 -2.264 1.00 0.00 O ATOM 868 OD2 ASP A 56 -15.748 13.084 -3.358 1.00 0.00 O ATOM 0 H ASP A 56 -16.037 9.176 -3.183 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.555 10.879 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.555 10.472 -4.668 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.353 11.809 -5.473 1.00 0.00 H new ATOM 873 N ASN A 57 -15.390 8.725 -6.232 1.00 0.00 N ATOM 874 CA ASN A 57 -15.124 7.838 -7.359 1.00 0.00 C ATOM 875 C ASN A 57 -13.940 6.942 -7.033 1.00 0.00 C ATOM 876 O ASN A 57 -13.338 7.067 -5.965 1.00 0.00 O ATOM 877 CB ASN A 57 -14.847 8.640 -8.643 1.00 0.00 C ATOM 878 CG ASN A 57 -13.541 9.417 -8.600 1.00 0.00 C ATOM 879 OD1 ASN A 57 -12.477 8.828 -9.131 1.00 0.00 O flip ATOM 880 ND2 ASN A 57 -13.490 10.550 -8.117 1.00 0.00 N flip ATOM 0 H ASN A 57 -14.621 8.797 -5.566 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.008 7.224 -7.533 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.827 7.957 -9.492 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -15.669 9.335 -8.813 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.328 10.972 -7.717 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.610 11.065 -8.117 1.00 0.00 H new ATOM 887 N THR A 58 -13.619 6.034 -7.938 1.00 0.00 N ATOM 888 CA THR A 58 -12.463 5.174 -7.765 1.00 0.00 C ATOM 889 C THR A 58 -11.323 5.639 -8.663 1.00 0.00 C ATOM 890 O THR A 58 -11.490 5.779 -9.874 1.00 0.00 O ATOM 891 CB THR A 58 -12.800 3.705 -8.086 1.00 0.00 C ATOM 892 OG1 THR A 58 -13.945 3.292 -7.328 1.00 0.00 O ATOM 893 CG2 THR A 58 -11.625 2.788 -7.768 1.00 0.00 C ATOM 0 H THR A 58 -14.142 5.874 -8.799 1.00 0.00 H new ATOM 0 HA THR A 58 -12.159 5.237 -6.720 1.00 0.00 H new ATOM 0 HB THR A 58 -13.016 3.633 -9.152 1.00 0.00 H new ATOM 0 HG1 THR A 58 -14.156 2.358 -7.537 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.893 1.758 -8.005 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.761 3.084 -8.363 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.380 2.865 -6.709 1.00 0.00 H new ATOM 901 N VAL A 59 -10.180 5.903 -8.059 1.00 0.00 N ATOM 902 CA VAL A 59 -9.002 6.301 -8.805 1.00 0.00 C ATOM 903 C VAL A 59 -8.140 5.075 -9.074 1.00 0.00 C ATOM 904 O VAL A 59 -7.817 4.329 -8.155 1.00 0.00 O ATOM 905 CB VAL A 59 -8.173 7.358 -8.041 1.00 0.00 C ATOM 906 CG1 VAL A 59 -7.050 7.903 -8.911 1.00 0.00 C ATOM 907 CG2 VAL A 59 -9.064 8.485 -7.548 1.00 0.00 C ATOM 0 H VAL A 59 -10.042 5.849 -7.050 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.329 6.747 -9.744 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.723 6.872 -7.175 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.482 8.645 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -6.390 7.087 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.473 8.368 -9.802 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.461 9.218 -7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -9.548 8.965 -8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.824 8.082 -6.878 1.00 0.00 H new ATOM 917 N LEU A 60 -7.791 4.856 -10.327 1.00 0.00 N ATOM 918 CA LEU A 60 -7.005 3.691 -10.704 1.00 0.00 C ATOM 919 C LEU A 60 -5.626 4.114 -11.191 1.00 0.00 C ATOM 920 O LEU A 60 -5.500 4.772 -12.219 1.00 0.00 O ATOM 921 CB LEU A 60 -7.734 2.895 -11.790 1.00 0.00 C ATOM 922 CG LEU A 60 -7.002 1.651 -12.300 1.00 0.00 C ATOM 923 CD1 LEU A 60 -6.757 0.670 -11.166 1.00 0.00 C ATOM 924 CD2 LEU A 60 -7.799 0.988 -13.410 1.00 0.00 C ATOM 0 H LEU A 60 -8.038 5.469 -11.104 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.879 3.055 -9.828 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -8.706 2.590 -11.401 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.923 3.556 -12.636 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.036 1.960 -12.700 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.236 -0.207 -11.550 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.148 1.147 -10.398 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.711 0.366 -10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.266 0.105 -13.763 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.777 0.694 -13.030 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.926 1.689 -14.235 1.00 0.00 H new ATOM 936 N LEU A 61 -4.598 3.746 -10.442 1.00 0.00 N ATOM 937 CA LEU A 61 -3.229 4.083 -10.812 1.00 0.00 C ATOM 938 C LEU A 61 -2.581 2.917 -11.538 1.00 0.00 C ATOM 939 O LEU A 61 -2.875 1.756 -11.246 1.00 0.00 O ATOM 940 CB LEU A 61 -2.392 4.430 -9.577 1.00 0.00 C ATOM 941 CG LEU A 61 -3.033 5.410 -8.595 1.00 0.00 C ATOM 942 CD1 LEU A 61 -2.104 5.670 -7.422 1.00 0.00 C ATOM 943 CD2 LEU A 61 -3.384 6.713 -9.289 1.00 0.00 C ATOM 0 H LEU A 61 -4.684 3.215 -9.575 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.267 4.953 -11.468 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.165 3.507 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.442 4.848 -9.910 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.953 4.963 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.576 6.370 -6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.900 4.733 -6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.168 6.094 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.839 7.396 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.479 7.164 -9.696 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.087 6.516 -10.099 1.00 0.00 H new ATOM 955 N LYS A 62 -1.705 3.231 -12.483 1.00 0.00 N ATOM 956 CA LYS A 62 -0.948 2.215 -13.195 1.00 0.00 C ATOM 957 C LYS A 62 0.530 2.588 -13.221 1.00 0.00 C ATOM 958 O LYS A 62 0.909 3.607 -13.801 1.00 0.00 O ATOM 959 CB LYS A 62 -1.457 2.056 -14.630 1.00 0.00 C ATOM 960 CG LYS A 62 -2.923 1.671 -14.732 1.00 0.00 C ATOM 961 CD LYS A 62 -3.337 1.479 -16.181 1.00 0.00 C ATOM 962 CE LYS A 62 -4.826 1.215 -16.314 1.00 0.00 C ATOM 963 NZ LYS A 62 -5.215 0.991 -17.732 1.00 0.00 N ATOM 0 H LYS A 62 -1.502 4.187 -12.774 1.00 0.00 H new ATOM 0 HA LYS A 62 -1.079 1.268 -12.671 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.301 2.993 -15.165 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.858 1.298 -15.134 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.101 0.751 -14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.539 2.445 -14.274 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -3.073 2.367 -16.755 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.781 0.646 -16.610 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.097 0.343 -15.719 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.384 2.061 -15.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.238 0.814 -17.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.979 1.834 -18.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.700 0.169 -18.107 1.00 0.00 H new ATOM 977 N GLY A 63 1.352 1.778 -12.575 1.00 0.00 N ATOM 978 CA GLY A 63 2.785 2.005 -12.587 1.00 0.00 C ATOM 979 C GLY A 63 3.554 0.712 -12.757 1.00 0.00 C ATOM 980 O GLY A 63 2.940 -0.348 -12.853 1.00 0.00 O ATOM 0 H GLY A 63 1.053 0.963 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.039 2.689 -13.397 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.085 2.488 -11.657 1.00 0.00 H new ATOM 984 N LEU A 64 4.887 0.819 -12.812 1.00 0.00 N ATOM 985 CA LEU A 64 5.794 -0.340 -12.910 1.00 0.00 C ATOM 986 C LEU A 64 5.225 -1.446 -13.795 1.00 0.00 C ATOM 987 O LEU A 64 4.989 -2.569 -13.336 1.00 0.00 O ATOM 988 CB LEU A 64 6.125 -0.903 -11.517 1.00 0.00 C ATOM 989 CG LEU A 64 7.212 -0.156 -10.728 1.00 0.00 C ATOM 990 CD1 LEU A 64 8.521 -0.130 -11.504 1.00 0.00 C ATOM 991 CD2 LEU A 64 6.768 1.258 -10.386 1.00 0.00 C ATOM 0 H LEU A 64 5.373 1.715 -12.790 1.00 0.00 H new ATOM 0 HA LEU A 64 6.711 0.022 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.211 -0.908 -10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.436 -1.941 -11.631 1.00 0.00 H new ATOM 0 HG LEU A 64 7.375 -0.695 -9.794 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.276 0.404 -10.926 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.857 -1.151 -11.685 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.369 0.376 -12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.557 1.762 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.565 1.808 -11.305 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.863 1.219 -9.780 1.00 0.00 H new ATOM 1003 N LYS A 65 5.000 -1.125 -15.063 1.00 0.00 N ATOM 1004 CA LYS A 65 4.381 -2.063 -15.984 1.00 0.00 C ATOM 1005 C LYS A 65 5.316 -3.234 -16.285 1.00 0.00 C ATOM 1006 O LYS A 65 6.168 -3.166 -17.172 1.00 0.00 O ATOM 1007 CB LYS A 65 3.956 -1.345 -17.268 1.00 0.00 C ATOM 1008 CG LYS A 65 3.163 -2.217 -18.232 1.00 0.00 C ATOM 1009 CD LYS A 65 2.414 -1.377 -19.256 1.00 0.00 C ATOM 1010 CE LYS A 65 3.353 -0.530 -20.101 1.00 0.00 C ATOM 1011 NZ LYS A 65 4.182 -1.356 -21.017 1.00 0.00 N ATOM 0 H LYS A 65 5.238 -0.222 -15.474 1.00 0.00 H new ATOM 0 HA LYS A 65 3.488 -2.472 -15.512 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.355 -0.475 -17.004 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.846 -0.975 -17.777 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.839 -2.901 -18.745 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.455 -2.828 -17.673 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.834 -2.032 -19.906 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.705 -0.728 -18.742 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.771 0.183 -20.684 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.005 0.050 -19.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.782 -0.735 -21.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.783 -1.996 -20.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.562 -1.916 -21.637 1.00 0.00 H new ATOM 1025 N ASN A 66 5.165 -4.287 -15.499 1.00 0.00 N ATOM 1026 CA ASN A 66 5.931 -5.516 -15.670 1.00 0.00 C ATOM 1027 C ASN A 66 5.062 -6.701 -15.285 1.00 0.00 C ATOM 1028 O ASN A 66 5.007 -7.710 -15.993 1.00 0.00 O ATOM 1029 CB ASN A 66 7.202 -5.484 -14.809 1.00 0.00 C ATOM 1030 CG ASN A 66 7.995 -6.781 -14.879 1.00 0.00 C ATOM 1031 OD1 ASN A 66 8.802 -6.978 -15.784 1.00 0.00 O ATOM 1032 ND2 ASN A 66 7.785 -7.667 -13.913 1.00 0.00 N ATOM 0 H ASN A 66 4.506 -4.316 -14.721 1.00 0.00 H new ATOM 0 HA ASN A 66 6.233 -5.610 -16.713 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.835 -4.659 -15.134 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.928 -5.286 -13.773 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.302 -8.546 -13.906 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.107 -7.469 -13.178 1.00 0.00 H new ATOM 1039 N ILE A 67 4.371 -6.546 -14.154 1.00 0.00 N ATOM 1040 CA ILE A 67 3.408 -7.530 -13.654 1.00 0.00 C ATOM 1041 C ILE A 67 4.105 -8.784 -13.124 1.00 0.00 C ATOM 1042 O ILE A 67 5.152 -9.191 -13.625 1.00 0.00 O ATOM 1043 CB ILE A 67 2.367 -7.935 -14.728 1.00 0.00 C ATOM 1044 CG1 ILE A 67 1.744 -6.688 -15.366 1.00 0.00 C ATOM 1045 CG2 ILE A 67 1.281 -8.806 -14.104 1.00 0.00 C ATOM 1046 CD1 ILE A 67 0.803 -6.994 -16.514 1.00 0.00 C ATOM 0 H ILE A 67 4.465 -5.727 -13.554 1.00 0.00 H new ATOM 0 HA ILE A 67 2.882 -7.042 -12.834 1.00 0.00 H new ATOM 0 HB ILE A 67 2.873 -8.506 -15.506 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.201 -6.133 -14.601 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.542 -6.038 -15.726 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.555 -9.085 -14.868 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.732 -9.706 -13.686 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.779 -8.250 -13.312 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.402 -6.063 -16.914 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.346 -7.522 -17.298 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.016 -7.618 -16.157 1.00 0.00 H new ATOM 1058 N VAL A 68 3.502 -9.384 -12.103 1.00 0.00 N ATOM 1059 CA VAL A 68 4.023 -10.589 -11.466 1.00 0.00 C ATOM 1060 C VAL A 68 5.336 -10.289 -10.751 1.00 0.00 C ATOM 1061 O VAL A 68 6.416 -10.679 -11.192 1.00 0.00 O ATOM 1062 CB VAL A 68 4.205 -11.766 -12.460 1.00 0.00 C ATOM 1063 CG1 VAL A 68 4.620 -13.041 -11.732 1.00 0.00 C ATOM 1064 CG2 VAL A 68 2.927 -12.003 -13.248 1.00 0.00 C ATOM 0 H VAL A 68 2.632 -9.046 -11.691 1.00 0.00 H new ATOM 0 HA VAL A 68 3.278 -10.905 -10.736 1.00 0.00 H new ATOM 0 HB VAL A 68 5.000 -11.496 -13.155 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.740 -13.849 -12.453 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.564 -12.873 -11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.852 -13.313 -11.008 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.075 -12.832 -13.940 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.115 -12.243 -12.561 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.673 -11.103 -13.809 1.00 0.00 H new ATOM 1074 N SER A 69 5.229 -9.538 -9.670 1.00 0.00 N ATOM 1075 CA SER A 69 6.364 -9.263 -8.809 1.00 0.00 C ATOM 1076 C SER A 69 6.101 -9.878 -7.441 1.00 0.00 C ATOM 1077 O SER A 69 6.828 -9.638 -6.478 1.00 0.00 O ATOM 1078 CB SER A 69 6.571 -7.750 -8.682 1.00 0.00 C ATOM 1079 OG SER A 69 6.622 -7.131 -9.959 1.00 0.00 O ATOM 0 H SER A 69 4.358 -9.104 -9.366 1.00 0.00 H new ATOM 0 HA SER A 69 7.268 -9.697 -9.236 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.760 -7.317 -8.097 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.496 -7.551 -8.141 1.00 0.00 H new ATOM 0 HG SER A 69 6.753 -6.166 -9.850 1.00 0.00 H new ATOM 1085 N VAL A 70 5.052 -10.688 -7.384 1.00 0.00 N ATOM 1086 CA VAL A 70 4.576 -11.268 -6.139 1.00 0.00 C ATOM 1087 C VAL A 70 4.737 -12.782 -6.178 1.00 0.00 C ATOM 1088 O VAL A 70 4.631 -13.391 -7.245 1.00 0.00 O ATOM 1089 CB VAL A 70 3.085 -10.931 -5.910 1.00 0.00 C ATOM 1090 CG1 VAL A 70 2.664 -11.230 -4.481 1.00 0.00 C ATOM 1091 CG2 VAL A 70 2.793 -9.481 -6.264 1.00 0.00 C ATOM 0 H VAL A 70 4.508 -10.961 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 70 5.166 -10.849 -5.324 1.00 0.00 H new ATOM 0 HB VAL A 70 2.499 -11.568 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.610 -10.982 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.816 -12.289 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.263 -10.634 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.737 -9.270 -6.094 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.399 -8.825 -5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.033 -9.307 -7.313 1.00 0.00 H new ATOM 1101 N LYS A 71 5.000 -13.386 -5.030 1.00 0.00 N ATOM 1102 CA LYS A 71 5.101 -14.834 -4.941 1.00 0.00 C ATOM 1103 C LYS A 71 4.037 -15.363 -3.999 1.00 0.00 C ATOM 1104 O LYS A 71 3.759 -14.756 -2.963 1.00 0.00 O ATOM 1105 CB LYS A 71 6.487 -15.269 -4.453 1.00 0.00 C ATOM 1106 CG LYS A 71 7.636 -14.683 -5.256 1.00 0.00 C ATOM 1107 CD LYS A 71 8.931 -15.439 -5.011 1.00 0.00 C ATOM 1108 CE LYS A 71 8.843 -16.869 -5.524 1.00 0.00 C ATOM 1109 NZ LYS A 71 10.104 -17.620 -5.291 1.00 0.00 N ATOM 0 H LYS A 71 5.147 -12.896 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 71 4.950 -15.246 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.601 -14.978 -3.409 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.549 -16.357 -4.489 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.391 -14.713 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.770 -13.635 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.754 -14.923 -5.505 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.154 -15.446 -3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.018 -17.382 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.618 -16.859 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.003 -18.589 -5.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.887 -17.145 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.306 -17.652 -4.271 1.00 0.00 H new ATOM 1123 N PHE A 72 3.431 -16.482 -4.357 1.00 0.00 N ATOM 1124 CA PHE A 72 2.412 -17.084 -3.514 1.00 0.00 C ATOM 1125 C PHE A 72 3.069 -17.825 -2.351 1.00 0.00 C ATOM 1126 O PHE A 72 3.207 -19.048 -2.367 1.00 0.00 O ATOM 1127 CB PHE A 72 1.515 -18.023 -4.329 1.00 0.00 C ATOM 1128 CG PHE A 72 0.254 -18.424 -3.617 1.00 0.00 C ATOM 1129 CD1 PHE A 72 -0.817 -17.546 -3.536 1.00 0.00 C ATOM 1130 CD2 PHE A 72 0.138 -19.672 -3.026 1.00 0.00 C ATOM 1131 CE1 PHE A 72 -1.979 -17.905 -2.882 1.00 0.00 C ATOM 1132 CE2 PHE A 72 -1.023 -20.037 -2.369 1.00 0.00 C ATOM 1133 CZ PHE A 72 -2.082 -19.153 -2.297 1.00 0.00 C ATOM 0 H PHE A 72 3.625 -16.990 -5.220 1.00 0.00 H new ATOM 0 HA PHE A 72 1.780 -16.294 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 72 1.252 -17.536 -5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.079 -18.920 -4.583 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -0.741 -16.569 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.963 -20.367 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.806 -17.212 -2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.102 -21.013 -1.913 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.989 -19.437 -1.784 1.00 0.00 H new ATOM 1143 N SER A 73 3.529 -17.061 -1.376 1.00 0.00 N ATOM 1144 CA SER A 73 4.132 -17.613 -0.177 1.00 0.00 C ATOM 1145 C SER A 73 3.665 -16.828 1.038 1.00 0.00 C ATOM 1146 O SER A 73 4.376 -15.974 1.559 1.00 0.00 O ATOM 1147 CB SER A 73 5.660 -17.588 -0.296 1.00 0.00 C ATOM 1148 OG SER A 73 6.094 -18.383 -1.388 1.00 0.00 O ATOM 0 H SER A 73 3.495 -16.042 -1.394 1.00 0.00 H new ATOM 0 HA SER A 73 3.820 -18.651 -0.058 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.002 -16.562 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.107 -17.956 0.628 1.00 0.00 H new ATOM 0 HG SER A 73 7.072 -18.352 -1.447 1.00 0.00 H new ATOM 1154 N LYS A 74 2.450 -17.129 1.466 1.00 0.00 N ATOM 1155 CA LYS A 74 1.774 -16.354 2.494 1.00 0.00 C ATOM 1156 C LYS A 74 2.327 -16.640 3.894 1.00 0.00 C ATOM 1157 O LYS A 74 2.065 -17.691 4.485 1.00 0.00 O ATOM 1158 CB LYS A 74 0.264 -16.618 2.416 1.00 0.00 C ATOM 1159 CG LYS A 74 -0.132 -18.085 2.542 1.00 0.00 C ATOM 1160 CD LYS A 74 -1.595 -18.310 2.173 1.00 0.00 C ATOM 1161 CE LYS A 74 -2.541 -17.515 3.063 1.00 0.00 C ATOM 1162 NZ LYS A 74 -2.573 -18.021 4.462 1.00 0.00 N ATOM 0 H LYS A 74 1.905 -17.915 1.112 1.00 0.00 H new ATOM 0 HA LYS A 74 1.961 -15.296 2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.231 -16.053 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.110 -16.235 1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.503 -18.690 1.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.041 -18.422 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.753 -18.026 1.133 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.829 -19.372 2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.237 -16.468 3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.546 -17.554 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.232 -17.445 5.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.889 -19.012 4.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.620 -17.960 4.875 1.00 0.00 H new ATOM 1176 N ASP A 75 3.097 -15.692 4.414 1.00 0.00 N ATOM 1177 CA ASP A 75 3.670 -15.797 5.752 1.00 0.00 C ATOM 1178 C ASP A 75 3.442 -14.500 6.517 1.00 0.00 C ATOM 1179 O ASP A 75 3.646 -13.412 5.982 1.00 0.00 O ATOM 1180 CB ASP A 75 5.168 -16.107 5.681 1.00 0.00 C ATOM 1181 CG ASP A 75 5.783 -16.307 7.055 1.00 0.00 C ATOM 1182 OD1 ASP A 75 5.798 -17.457 7.543 1.00 0.00 O ATOM 1183 OD2 ASP A 75 6.265 -15.322 7.650 1.00 0.00 O ATOM 0 H ASP A 75 3.342 -14.832 3.923 1.00 0.00 H new ATOM 0 HA ASP A 75 3.175 -16.615 6.275 1.00 0.00 H new ATOM 0 HB2 ASP A 75 5.323 -17.005 5.082 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.681 -15.292 5.171 1.00 0.00 H new ATOM 1188 N ARG A 76 3.018 -14.621 7.769 1.00 0.00 N ATOM 1189 CA ARG A 76 2.667 -13.453 8.571 1.00 0.00 C ATOM 1190 C ARG A 76 3.903 -12.839 9.220 1.00 0.00 C ATOM 1191 O ARG A 76 3.952 -11.633 9.458 1.00 0.00 O ATOM 1192 CB ARG A 76 1.658 -13.829 9.661 1.00 0.00 C ATOM 1193 CG ARG A 76 0.486 -14.653 9.158 1.00 0.00 C ATOM 1194 CD ARG A 76 -0.459 -15.024 10.288 1.00 0.00 C ATOM 1195 NE ARG A 76 -1.348 -13.924 10.653 1.00 0.00 N ATOM 1196 CZ ARG A 76 -1.660 -13.595 11.904 1.00 0.00 C ATOM 1197 NH1 ARG A 76 -1.008 -14.142 12.925 1.00 0.00 N ATOM 1198 NH2 ARG A 76 -2.603 -12.688 12.128 1.00 0.00 N ATOM 0 H ARG A 76 2.909 -15.513 8.251 1.00 0.00 H new ATOM 0 HA ARG A 76 2.219 -12.719 7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.173 -14.388 10.442 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.277 -12.917 10.120 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.057 -14.090 8.398 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.856 -15.560 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -1.055 -15.887 9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.122 -15.323 11.160 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.757 -13.372 9.899 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.264 -14.818 12.752 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.252 -13.886 13.882 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.084 -12.248 11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -2.847 -12.431 13.085 1.00 0.00 H new ATOM 1212 N HIS A 77 4.905 -13.667 9.490 1.00 0.00 N ATOM 1213 CA HIS A 77 6.086 -13.212 10.214 1.00 0.00 C ATOM 1214 C HIS A 77 6.955 -12.357 9.304 1.00 0.00 C ATOM 1215 O HIS A 77 7.533 -11.369 9.736 1.00 0.00 O ATOM 1216 CB HIS A 77 6.888 -14.399 10.754 1.00 0.00 C ATOM 1217 CG HIS A 77 7.954 -14.019 11.744 1.00 0.00 C ATOM 1218 ND1 HIS A 77 9.179 -13.494 11.381 1.00 0.00 N ATOM 1219 CD2 HIS A 77 7.976 -14.105 13.097 1.00 0.00 C ATOM 1220 CE1 HIS A 77 9.905 -13.282 12.465 1.00 0.00 C ATOM 1221 NE2 HIS A 77 9.198 -13.643 13.516 1.00 0.00 N ATOM 0 H HIS A 77 4.924 -14.651 9.221 1.00 0.00 H new ATOM 0 HA HIS A 77 5.760 -12.611 11.063 1.00 0.00 H new ATOM 0 HB2 HIS A 77 6.202 -15.102 11.226 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.353 -14.920 9.917 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.179 -14.470 13.728 1.00 0.00 H new ATOM 0 HE1 HIS A 77 10.908 -12.881 12.485 1.00 0.00 H new ATOM 0 HE2 HIS A 77 9.509 -13.588 14.486 1.00 0.00 H new ATOM 1230 N LEU A 78 7.037 -12.738 8.038 1.00 0.00 N ATOM 1231 CA LEU A 78 7.784 -11.962 7.060 1.00 0.00 C ATOM 1232 C LEU A 78 7.221 -10.544 6.966 1.00 0.00 C ATOM 1233 O LEU A 78 7.958 -9.584 6.743 1.00 0.00 O ATOM 1234 CB LEU A 78 7.748 -12.647 5.690 1.00 0.00 C ATOM 1235 CG LEU A 78 8.564 -11.960 4.594 1.00 0.00 C ATOM 1236 CD1 LEU A 78 10.024 -11.835 5.008 1.00 0.00 C ATOM 1237 CD2 LEU A 78 8.451 -12.730 3.291 1.00 0.00 C ATOM 0 H LEU A 78 6.596 -13.579 7.664 1.00 0.00 H new ATOM 0 HA LEU A 78 8.823 -11.901 7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.110 -13.669 5.803 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.711 -12.711 5.361 1.00 0.00 H new ATOM 0 HG LEU A 78 8.162 -10.958 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 78 10.587 -11.344 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.094 -11.244 5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 78 10.438 -12.828 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 78 9.037 -12.229 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.828 -13.743 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 78 7.406 -12.772 2.983 1.00 0.00 H new ATOM 1249 N ILE A 79 5.916 -10.418 7.177 1.00 0.00 N ATOM 1250 CA ILE A 79 5.257 -9.122 7.137 1.00 0.00 C ATOM 1251 C ILE A 79 5.699 -8.261 8.315 1.00 0.00 C ATOM 1252 O ILE A 79 6.165 -7.135 8.130 1.00 0.00 O ATOM 1253 CB ILE A 79 3.718 -9.273 7.159 1.00 0.00 C ATOM 1254 CG1 ILE A 79 3.252 -10.104 5.957 1.00 0.00 C ATOM 1255 CG2 ILE A 79 3.044 -7.905 7.158 1.00 0.00 C ATOM 1256 CD1 ILE A 79 1.757 -10.343 5.920 1.00 0.00 C ATOM 0 H ILE A 79 5.294 -11.201 7.378 1.00 0.00 H new ATOM 0 HA ILE A 79 5.546 -8.637 6.205 1.00 0.00 H new ATOM 0 HB ILE A 79 3.432 -9.792 8.074 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.552 -9.598 5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.764 -11.066 5.972 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.962 -8.033 7.174 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.356 -7.345 8.040 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.332 -7.358 6.260 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.505 -10.937 5.042 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.452 -10.877 6.820 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.237 -9.386 5.872 1.00 0.00 H new ATOM 1268 N GLU A 80 5.587 -8.809 9.523 1.00 0.00 N ATOM 1269 CA GLU A 80 5.912 -8.065 10.733 1.00 0.00 C ATOM 1270 C GLU A 80 7.408 -7.764 10.827 1.00 0.00 C ATOM 1271 O GLU A 80 7.806 -6.732 11.361 1.00 0.00 O ATOM 1272 CB GLU A 80 5.406 -8.814 11.974 1.00 0.00 C ATOM 1273 CG GLU A 80 5.802 -10.281 12.038 1.00 0.00 C ATOM 1274 CD GLU A 80 6.991 -10.548 12.945 1.00 0.00 C ATOM 1275 OE1 GLU A 80 8.144 -10.362 12.504 1.00 0.00 O ATOM 1276 OE2 GLU A 80 6.774 -10.969 14.097 1.00 0.00 O ATOM 0 H GLU A 80 5.274 -9.766 9.688 1.00 0.00 H new ATOM 0 HA GLU A 80 5.401 -7.103 10.686 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.784 -8.311 12.864 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.319 -8.744 12.005 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.950 -10.864 12.388 1.00 0.00 H new ATOM 0 HG3 GLU A 80 6.036 -10.630 11.032 1.00 0.00 H new ATOM 1283 N THR A 81 8.234 -8.651 10.288 1.00 0.00 N ATOM 1284 CA THR A 81 9.670 -8.424 10.264 1.00 0.00 C ATOM 1285 C THR A 81 10.009 -7.257 9.335 1.00 0.00 C ATOM 1286 O THR A 81 10.904 -6.457 9.617 1.00 0.00 O ATOM 1287 CB THR A 81 10.422 -9.691 9.808 1.00 0.00 C ATOM 1288 OG1 THR A 81 10.069 -10.798 10.646 1.00 0.00 O ATOM 1289 CG2 THR A 81 11.929 -9.483 9.855 1.00 0.00 C ATOM 0 H THR A 81 7.935 -9.529 9.864 1.00 0.00 H new ATOM 0 HA THR A 81 9.988 -8.179 11.277 1.00 0.00 H new ATOM 0 HB THR A 81 10.133 -9.900 8.778 1.00 0.00 H new ATOM 0 HG1 THR A 81 9.404 -10.510 11.306 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.432 -10.393 9.528 1.00 0.00 H new ATOM 0 HG22 THR A 81 12.203 -8.660 9.195 1.00 0.00 H new ATOM 0 HG23 THR A 81 12.232 -9.247 10.875 1.00 0.00 H new ATOM 1297 N THR A 82 9.266 -7.143 8.243 1.00 0.00 N ATOM 1298 CA THR A 82 9.509 -6.088 7.277 1.00 0.00 C ATOM 1299 C THR A 82 9.031 -4.737 7.814 1.00 0.00 C ATOM 1300 O THR A 82 9.697 -3.716 7.624 1.00 0.00 O ATOM 1301 CB THR A 82 8.831 -6.399 5.929 1.00 0.00 C ATOM 1302 OG1 THR A 82 9.246 -7.694 5.473 1.00 0.00 O ATOM 1303 CG2 THR A 82 9.197 -5.363 4.879 1.00 0.00 C ATOM 0 H THR A 82 8.494 -7.766 8.007 1.00 0.00 H new ATOM 0 HA THR A 82 10.585 -6.034 7.111 1.00 0.00 H new ATOM 0 HB THR A 82 7.751 -6.377 6.078 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.904 -8.381 6.083 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.704 -5.608 3.938 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.873 -4.377 5.212 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.277 -5.359 4.732 1.00 0.00 H new ATOM 1311 N SER A 83 7.901 -4.733 8.516 1.00 0.00 N ATOM 1312 CA SER A 83 7.391 -3.508 9.120 1.00 0.00 C ATOM 1313 C SER A 83 8.281 -3.076 10.278 1.00 0.00 C ATOM 1314 O SER A 83 8.455 -1.884 10.529 1.00 0.00 O ATOM 1315 CB SER A 83 5.945 -3.694 9.582 1.00 0.00 C ATOM 1316 OG SER A 83 5.788 -4.900 10.306 1.00 0.00 O ATOM 0 H SER A 83 7.325 -5.559 8.679 1.00 0.00 H new ATOM 0 HA SER A 83 7.404 -2.720 8.367 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.649 -2.851 10.207 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.282 -3.698 8.717 1.00 0.00 H new ATOM 0 HG SER A 83 6.668 -5.234 10.580 1.00 0.00 H new ATOM 1322 N ASN A 84 8.859 -4.048 10.975 1.00 0.00 N ATOM 1323 CA ASN A 84 9.816 -3.762 12.035 1.00 0.00 C ATOM 1324 C ASN A 84 11.067 -3.101 11.470 1.00 0.00 C ATOM 1325 O ASN A 84 11.635 -2.201 12.084 1.00 0.00 O ATOM 1326 CB ASN A 84 10.186 -5.041 12.789 1.00 0.00 C ATOM 1327 CG ASN A 84 9.178 -5.385 13.871 1.00 0.00 C ATOM 1328 OD1 ASN A 84 8.549 -4.500 14.449 1.00 0.00 O ATOM 1329 ND2 ASN A 84 9.021 -6.668 14.161 1.00 0.00 N ATOM 0 H ASN A 84 8.681 -5.041 10.824 1.00 0.00 H new ATOM 0 HA ASN A 84 9.347 -3.071 12.735 1.00 0.00 H new ATOM 0 HB2 ASN A 84 10.255 -5.869 12.083 1.00 0.00 H new ATOM 0 HB3 ASN A 84 11.172 -4.923 13.239 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.361 -6.950 14.885 1.00 0.00 H new ATOM 0 HD22 ASN A 84 9.561 -7.374 13.660 1.00 0.00 H new ATOM 1336 N LYS A 85 11.480 -3.537 10.287 1.00 0.00 N ATOM 1337 CA LYS A 85 12.627 -2.944 9.610 1.00 0.00 C ATOM 1338 C LYS A 85 12.301 -1.508 9.196 1.00 0.00 C ATOM 1339 O LYS A 85 13.134 -0.601 9.314 1.00 0.00 O ATOM 1340 CB LYS A 85 13.005 -3.784 8.387 1.00 0.00 C ATOM 1341 CG LYS A 85 14.364 -3.440 7.799 1.00 0.00 C ATOM 1342 CD LYS A 85 14.669 -4.276 6.564 1.00 0.00 C ATOM 1343 CE LYS A 85 16.108 -4.087 6.107 1.00 0.00 C ATOM 1344 NZ LYS A 85 16.370 -4.731 4.793 1.00 0.00 N ATOM 0 H LYS A 85 11.037 -4.300 9.775 1.00 0.00 H new ATOM 0 HA LYS A 85 13.477 -2.925 10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 85 12.997 -4.838 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.244 -3.652 7.618 1.00 0.00 H new ATOM 0 HG2 LYS A 85 14.391 -2.382 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.137 -3.603 8.549 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.490 -5.329 6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.990 -3.998 5.758 1.00 0.00 H new ATOM 0 HE2 LYS A 85 16.328 -3.022 6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 85 16.782 -4.504 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 17.385 -4.940 4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.827 -5.616 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.081 -4.089 4.028 1.00 0.00 H new ATOM 1358 N LEU A 86 11.074 -1.310 8.723 1.00 0.00 N ATOM 1359 CA LEU A 86 10.587 0.014 8.344 1.00 0.00 C ATOM 1360 C LEU A 86 10.482 0.917 9.575 1.00 0.00 C ATOM 1361 O LEU A 86 10.767 2.111 9.516 1.00 0.00 O ATOM 1362 CB LEU A 86 9.216 -0.102 7.668 1.00 0.00 C ATOM 1363 CG LEU A 86 8.637 1.206 7.132 1.00 0.00 C ATOM 1364 CD1 LEU A 86 9.415 1.674 5.917 1.00 0.00 C ATOM 1365 CD2 LEU A 86 7.166 1.040 6.793 1.00 0.00 C ATOM 0 H LEU A 86 10.392 -2.057 8.592 1.00 0.00 H new ATOM 0 HA LEU A 86 11.296 0.455 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.295 -0.810 6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.511 -0.525 8.384 1.00 0.00 H new ATOM 0 HG LEU A 86 8.726 1.965 7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.988 2.607 5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.457 1.835 6.192 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.359 0.916 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.772 1.982 6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.053 0.266 6.033 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.616 0.752 7.689 1.00 0.00 H new ATOM 1377 N LYS A 87 10.066 0.327 10.683 1.00 0.00 N ATOM 1378 CA LYS A 87 9.964 1.029 11.955 1.00 0.00 C ATOM 1379 C LYS A 87 11.312 1.625 12.370 1.00 0.00 C ATOM 1380 O LYS A 87 11.389 2.779 12.792 1.00 0.00 O ATOM 1381 CB LYS A 87 9.465 0.056 13.028 1.00 0.00 C ATOM 1382 CG LYS A 87 9.462 0.617 14.443 1.00 0.00 C ATOM 1383 CD LYS A 87 9.202 -0.482 15.465 1.00 0.00 C ATOM 1384 CE LYS A 87 10.227 -1.601 15.345 1.00 0.00 C ATOM 1385 NZ LYS A 87 9.953 -2.725 16.278 1.00 0.00 N ATOM 0 H LYS A 87 9.789 -0.654 10.728 1.00 0.00 H new ATOM 0 HA LYS A 87 9.258 1.852 11.844 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.452 -0.256 12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.089 -0.838 13.007 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.420 1.093 14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.697 1.388 14.531 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.235 -0.062 16.470 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.200 -0.886 15.321 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.233 -1.976 14.321 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.221 -1.202 15.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.851 -3.094 16.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 9.364 -2.387 17.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.451 -3.482 15.771 1.00 0.00 H new ATOM 1399 N SER A 88 12.369 0.835 12.235 1.00 0.00 N ATOM 1400 CA SER A 88 13.691 1.245 12.684 1.00 0.00 C ATOM 1401 C SER A 88 14.367 2.213 11.707 1.00 0.00 C ATOM 1402 O SER A 88 14.531 3.396 12.007 1.00 0.00 O ATOM 1403 CB SER A 88 14.569 0.013 12.896 1.00 0.00 C ATOM 1404 OG SER A 88 14.012 -0.846 13.877 1.00 0.00 O ATOM 0 H SER A 88 12.335 -0.095 11.817 1.00 0.00 H new ATOM 0 HA SER A 88 13.566 1.778 13.626 1.00 0.00 H new ATOM 0 HB2 SER A 88 14.678 -0.526 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.568 0.323 13.204 1.00 0.00 H new ATOM 0 HG SER A 88 13.281 -1.365 13.481 1.00 0.00 H new ATOM 1410 N ARG A 89 14.764 1.711 10.541 1.00 0.00 N ATOM 1411 CA ARG A 89 15.564 2.502 9.608 1.00 0.00 C ATOM 1412 C ARG A 89 14.725 3.091 8.478 1.00 0.00 C ATOM 1413 O ARG A 89 15.196 3.968 7.754 1.00 0.00 O ATOM 1414 CB ARG A 89 16.688 1.648 9.018 1.00 0.00 C ATOM 1415 CG ARG A 89 17.814 1.319 9.993 1.00 0.00 C ATOM 1416 CD ARG A 89 18.621 2.553 10.377 1.00 0.00 C ATOM 1417 NE ARG A 89 17.891 3.443 11.278 1.00 0.00 N ATOM 1418 CZ ARG A 89 18.017 4.773 11.291 1.00 0.00 C ATOM 1419 NH1 ARG A 89 18.901 5.376 10.502 1.00 0.00 N ATOM 1420 NH2 ARG A 89 17.274 5.497 12.117 1.00 0.00 N ATOM 0 H ARG A 89 14.547 0.767 10.220 1.00 0.00 H new ATOM 0 HA ARG A 89 15.986 3.332 10.175 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.262 0.716 8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 89 17.110 2.169 8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.394 0.867 10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 89 18.476 0.579 9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 89 19.550 2.241 10.854 1.00 0.00 H new ATOM 0 HD3 ARG A 89 18.894 3.100 9.474 1.00 0.00 H new ATOM 0 HE ARG A 89 17.242 3.020 11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 89 19.490 4.823 9.880 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.990 6.392 10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.609 5.038 12.740 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.368 6.513 12.130 1.00 0.00 H new ATOM 1434 N GLU A 90 13.504 2.581 8.316 1.00 0.00 N ATOM 1435 CA GLU A 90 12.585 3.009 7.247 1.00 0.00 C ATOM 1436 C GLU A 90 13.057 2.545 5.865 1.00 0.00 C ATOM 1437 O GLU A 90 12.294 2.600 4.902 1.00 0.00 O ATOM 1438 CB GLU A 90 12.379 4.529 7.262 1.00 0.00 C ATOM 1439 CG GLU A 90 11.730 5.037 8.537 1.00 0.00 C ATOM 1440 CD GLU A 90 11.534 6.538 8.546 1.00 0.00 C ATOM 1441 OE1 GLU A 90 12.462 7.262 8.966 1.00 0.00 O ATOM 1442 OE2 GLU A 90 10.441 7.006 8.160 1.00 0.00 O ATOM 0 H GLU A 90 13.118 1.857 8.922 1.00 0.00 H new ATOM 0 HA GLU A 90 11.626 2.531 7.447 1.00 0.00 H new ATOM 0 HB2 GLU A 90 13.344 5.020 7.133 1.00 0.00 H new ATOM 0 HB3 GLU A 90 11.761 4.813 6.410 1.00 0.00 H new ATOM 0 HG2 GLU A 90 10.763 4.550 8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 90 12.346 4.752 9.390 1.00 0.00 H new ATOM 1449 N ILE A 91 14.311 2.076 5.798 1.00 0.00 N ATOM 1450 CA ILE A 91 14.933 1.528 4.582 1.00 0.00 C ATOM 1451 C ILE A 91 14.491 2.234 3.299 1.00 0.00 C ATOM 1452 O ILE A 91 14.964 3.329 2.992 1.00 0.00 O ATOM 1453 CB ILE A 91 14.730 -0.005 4.448 1.00 0.00 C ATOM 1454 CG1 ILE A 91 13.300 -0.425 4.827 1.00 0.00 C ATOM 1455 CG2 ILE A 91 15.747 -0.730 5.315 1.00 0.00 C ATOM 1456 CD1 ILE A 91 12.976 -1.864 4.495 1.00 0.00 C ATOM 0 H ILE A 91 14.935 2.066 6.604 1.00 0.00 H new ATOM 0 HA ILE A 91 15.998 1.722 4.707 1.00 0.00 H new ATOM 0 HB ILE A 91 14.881 -0.280 3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.157 -0.268 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 91 12.592 0.225 4.312 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.604 -1.806 5.221 1.00 0.00 H new ATOM 0 HG22 ILE A 91 16.754 -0.468 4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.613 -0.436 6.356 1.00 0.00 H new ATOM 0 HD11 ILE A 91 11.951 -2.084 4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 91 13.085 -2.023 3.422 1.00 0.00 H new ATOM 0 HD13 ILE A 91 13.658 -2.524 5.031 1.00 0.00 H new ATOM 1468 N THR A 92 13.605 1.597 2.545 1.00 0.00 N ATOM 1469 CA THR A 92 13.035 2.192 1.351 1.00 0.00 C ATOM 1470 C THR A 92 11.672 1.557 1.076 1.00 0.00 C ATOM 1471 O THR A 92 11.507 0.342 1.218 1.00 0.00 O ATOM 1472 CB THR A 92 13.961 2.011 0.125 1.00 0.00 C ATOM 1473 OG1 THR A 92 15.318 2.330 0.470 1.00 0.00 O ATOM 1474 CG2 THR A 92 13.521 2.911 -1.019 1.00 0.00 C ATOM 0 H THR A 92 13.264 0.657 2.746 1.00 0.00 H new ATOM 0 HA THR A 92 12.922 3.263 1.521 1.00 0.00 H new ATOM 0 HB THR A 92 13.897 0.969 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 92 15.892 2.209 -0.315 1.00 0.00 H new ATOM 0 HG21 THR A 92 14.186 2.768 -1.871 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.501 2.659 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 92 13.561 3.952 -0.699 1.00 0.00 H new ATOM 1482 N PHE A 93 10.703 2.378 0.686 1.00 0.00 N ATOM 1483 CA PHE A 93 9.320 1.929 0.528 1.00 0.00 C ATOM 1484 C PHE A 93 9.205 0.845 -0.545 1.00 0.00 C ATOM 1485 O PHE A 93 8.352 -0.043 -0.460 1.00 0.00 O ATOM 1486 CB PHE A 93 8.428 3.125 0.181 1.00 0.00 C ATOM 1487 CG PHE A 93 6.957 2.815 0.125 1.00 0.00 C ATOM 1488 CD1 PHE A 93 6.241 2.587 1.290 1.00 0.00 C ATOM 1489 CD2 PHE A 93 6.290 2.768 -1.088 1.00 0.00 C ATOM 1490 CE1 PHE A 93 4.887 2.315 1.245 1.00 0.00 C ATOM 1491 CE2 PHE A 93 4.935 2.500 -1.139 1.00 0.00 C ATOM 1492 CZ PHE A 93 4.234 2.272 0.028 1.00 0.00 C ATOM 0 H PHE A 93 10.849 3.364 0.472 1.00 0.00 H new ATOM 0 HA PHE A 93 8.989 1.493 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.592 3.910 0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.738 3.525 -0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.747 2.622 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.835 2.943 -2.004 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.340 2.136 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.425 2.469 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.176 2.060 -0.010 1.00 0.00 H new ATOM 1502 N GLN A 94 10.074 0.909 -1.545 1.00 0.00 N ATOM 1503 CA GLN A 94 10.077 -0.086 -2.610 1.00 0.00 C ATOM 1504 C GLN A 94 10.514 -1.456 -2.078 1.00 0.00 C ATOM 1505 O GLN A 94 9.912 -2.474 -2.414 1.00 0.00 O ATOM 1506 CB GLN A 94 10.968 0.370 -3.772 1.00 0.00 C ATOM 1507 CG GLN A 94 12.416 0.612 -3.387 1.00 0.00 C ATOM 1508 CD GLN A 94 13.222 1.263 -4.496 1.00 0.00 C ATOM 1509 OE1 GLN A 94 14.163 2.007 -4.233 1.00 0.00 O ATOM 1510 NE2 GLN A 94 12.866 0.989 -5.740 1.00 0.00 N ATOM 0 H GLN A 94 10.783 1.636 -1.641 1.00 0.00 H new ATOM 0 HA GLN A 94 9.059 -0.188 -2.987 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.934 -0.384 -4.559 1.00 0.00 H new ATOM 0 HB3 GLN A 94 10.557 1.288 -4.192 1.00 0.00 H new ATOM 0 HG2 GLN A 94 12.450 1.245 -2.501 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.879 -0.338 -3.118 1.00 0.00 H new ATOM 0 HE21 GLN A 94 12.079 0.366 -5.920 1.00 0.00 H new ATOM 0 HE22 GLN A 94 13.379 1.401 -6.520 1.00 0.00 H new ATOM 1519 N GLU A 95 11.530 -1.472 -1.214 1.00 0.00 N ATOM 1520 CA GLU A 95 12.022 -2.722 -0.634 1.00 0.00 C ATOM 1521 C GLU A 95 10.993 -3.288 0.335 1.00 0.00 C ATOM 1522 O GLU A 95 10.786 -4.500 0.403 1.00 0.00 O ATOM 1523 CB GLU A 95 13.350 -2.499 0.093 1.00 0.00 C ATOM 1524 CG GLU A 95 13.988 -3.789 0.585 1.00 0.00 C ATOM 1525 CD GLU A 95 15.241 -3.557 1.401 1.00 0.00 C ATOM 1526 OE1 GLU A 95 16.280 -3.189 0.814 1.00 0.00 O ATOM 1527 OE2 GLU A 95 15.201 -3.762 2.633 1.00 0.00 O ATOM 0 H GLU A 95 12.026 -0.637 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 95 12.185 -3.433 -1.444 1.00 0.00 H new ATOM 0 HB2 GLU A 95 14.043 -1.991 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.185 -1.836 0.942 1.00 0.00 H new ATOM 0 HG2 GLU A 95 13.265 -4.338 1.188 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.231 -4.417 -0.272 1.00 0.00 H new ATOM 1534 N TYR A 96 10.349 -2.392 1.074 1.00 0.00 N ATOM 1535 CA TYR A 96 9.290 -2.760 2.004 1.00 0.00 C ATOM 1536 C TYR A 96 8.231 -3.605 1.298 1.00 0.00 C ATOM 1537 O TYR A 96 7.799 -4.644 1.801 1.00 0.00 O ATOM 1538 CB TYR A 96 8.668 -1.484 2.586 1.00 0.00 C ATOM 1539 CG TYR A 96 7.554 -1.718 3.582 1.00 0.00 C ATOM 1540 CD1 TYR A 96 7.816 -2.305 4.808 1.00 0.00 C ATOM 1541 CD2 TYR A 96 6.245 -1.342 3.301 1.00 0.00 C ATOM 1542 CE1 TYR A 96 6.809 -2.517 5.727 1.00 0.00 C ATOM 1543 CE2 TYR A 96 5.231 -1.548 4.220 1.00 0.00 C ATOM 1544 CZ TYR A 96 5.520 -2.137 5.430 1.00 0.00 C ATOM 1545 OH TYR A 96 4.520 -2.345 6.350 1.00 0.00 O ATOM 0 H TYR A 96 10.546 -1.392 1.045 1.00 0.00 H new ATOM 0 HA TYR A 96 9.708 -3.357 2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 96 9.453 -0.902 3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.282 -0.878 1.766 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.826 -2.602 5.049 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.016 -0.882 2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.032 -2.980 6.677 1.00 0.00 H new ATOM 0 HE2 TYR A 96 4.219 -1.249 3.989 1.00 0.00 H new ATOM 0 HH TYR A 96 3.670 -2.487 5.883 1.00 0.00 H new ATOM 1555 N ARG A 97 7.850 -3.175 0.107 1.00 0.00 N ATOM 1556 CA ARG A 97 6.817 -3.861 -0.649 1.00 0.00 C ATOM 1557 C ARG A 97 7.361 -5.101 -1.358 1.00 0.00 C ATOM 1558 O ARG A 97 6.601 -6.003 -1.705 1.00 0.00 O ATOM 1559 CB ARG A 97 6.184 -2.908 -1.655 1.00 0.00 C ATOM 1560 CG ARG A 97 5.545 -1.695 -1.006 1.00 0.00 C ATOM 1561 CD ARG A 97 4.801 -0.853 -2.023 1.00 0.00 C ATOM 1562 NE ARG A 97 5.666 -0.408 -3.116 1.00 0.00 N ATOM 1563 CZ ARG A 97 5.297 -0.431 -4.396 1.00 0.00 C ATOM 1564 NH1 ARG A 97 4.130 -0.949 -4.733 1.00 0.00 N ATOM 1565 NH2 ARG A 97 6.097 0.044 -5.340 1.00 0.00 N ATOM 0 H ARG A 97 8.240 -2.355 -0.357 1.00 0.00 H new ATOM 0 HA ARG A 97 6.056 -4.196 0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.946 -2.576 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.429 -3.445 -2.230 1.00 0.00 H new ATOM 0 HG2 ARG A 97 4.857 -2.018 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG A 97 6.313 -1.091 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 97 3.971 -1.430 -2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 97 4.371 0.017 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 97 6.598 -0.063 -2.887 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.514 -1.330 -4.014 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.844 -0.968 -5.712 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.006 0.433 -5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.803 0.021 -6.317 1.00 0.00 H new ATOM 1579 N ARG A 98 8.672 -5.152 -1.572 1.00 0.00 N ATOM 1580 CA ARG A 98 9.292 -6.324 -2.185 1.00 0.00 C ATOM 1581 C ARG A 98 9.196 -7.525 -1.258 1.00 0.00 C ATOM 1582 O ARG A 98 8.858 -8.629 -1.688 1.00 0.00 O ATOM 1583 CB ARG A 98 10.757 -6.052 -2.546 1.00 0.00 C ATOM 1584 CG ARG A 98 10.926 -5.084 -3.705 1.00 0.00 C ATOM 1585 CD ARG A 98 10.198 -5.574 -4.950 1.00 0.00 C ATOM 1586 NE ARG A 98 10.780 -6.807 -5.481 1.00 0.00 N ATOM 1587 CZ ARG A 98 10.069 -7.875 -5.848 1.00 0.00 C ATOM 1588 NH1 ARG A 98 8.751 -7.891 -5.674 1.00 0.00 N ATOM 1589 NH2 ARG A 98 10.678 -8.930 -6.376 1.00 0.00 N ATOM 0 H ARG A 98 9.322 -4.403 -1.333 1.00 0.00 H new ATOM 0 HA ARG A 98 8.750 -6.544 -3.105 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.270 -5.652 -1.671 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.242 -6.995 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.544 -4.104 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.986 -4.961 -3.926 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.148 -5.743 -4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.230 -4.799 -5.716 1.00 0.00 H new ATOM 0 HE ARG A 98 11.794 -6.853 -5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 98 8.282 -7.086 -5.259 1.00 0.00 H new ATOM 0 HH12 ARG A 98 8.209 -8.708 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 98 11.690 -8.925 -6.501 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.134 -9.746 -6.656 1.00 0.00 H new ATOM 1603 N ASN A 99 9.472 -7.302 0.020 1.00 0.00 N ATOM 1604 CA ASN A 99 9.366 -8.364 1.013 1.00 0.00 C ATOM 1605 C ASN A 99 7.907 -8.749 1.232 1.00 0.00 C ATOM 1606 O ASN A 99 7.594 -9.916 1.460 1.00 0.00 O ATOM 1607 CB ASN A 99 10.003 -7.940 2.339 1.00 0.00 C ATOM 1608 CG ASN A 99 11.515 -7.820 2.257 1.00 0.00 C ATOM 1609 OD1 ASN A 99 12.168 -8.513 1.476 1.00 0.00 O ATOM 1610 ND2 ASN A 99 12.082 -6.941 3.073 1.00 0.00 N ATOM 0 H ASN A 99 9.770 -6.400 0.393 1.00 0.00 H new ATOM 0 HA ASN A 99 9.906 -9.232 0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.584 -6.982 2.648 1.00 0.00 H new ATOM 0 HB3 ASN A 99 9.742 -8.665 3.110 1.00 0.00 H new ATOM 0 HD21 ASN A 99 13.095 -6.820 3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 99 11.505 -6.386 3.705 1.00 0.00 H new ATOM 1617 N LEU A 100 7.015 -7.764 1.154 1.00 0.00 N ATOM 1618 CA LEU A 100 5.581 -8.015 1.275 1.00 0.00 C ATOM 1619 C LEU A 100 5.064 -8.856 0.112 1.00 0.00 C ATOM 1620 O LEU A 100 4.225 -9.736 0.298 1.00 0.00 O ATOM 1621 CB LEU A 100 4.811 -6.696 1.363 1.00 0.00 C ATOM 1622 CG LEU A 100 4.942 -5.968 2.700 1.00 0.00 C ATOM 1623 CD1 LEU A 100 4.297 -4.599 2.619 1.00 0.00 C ATOM 1624 CD2 LEU A 100 4.306 -6.793 3.808 1.00 0.00 C ATOM 0 H LEU A 100 7.260 -6.785 1.008 1.00 0.00 H new ATOM 0 HA LEU A 100 5.418 -8.578 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.158 -6.035 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.756 -6.894 1.174 1.00 0.00 H new ATOM 0 HG LEU A 100 6.000 -5.836 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.398 -4.092 3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.788 -4.011 1.844 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.240 -4.709 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.405 -6.266 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.250 -6.947 3.587 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.807 -7.759 3.876 1.00 0.00 H new ATOM 1636 N ALA A 101 5.572 -8.592 -1.086 1.00 0.00 N ATOM 1637 CA ALA A 101 5.207 -9.386 -2.252 1.00 0.00 C ATOM 1638 C ALA A 101 5.710 -10.818 -2.098 1.00 0.00 C ATOM 1639 O ALA A 101 5.101 -11.765 -2.597 1.00 0.00 O ATOM 1640 CB ALA A 101 5.767 -8.757 -3.517 1.00 0.00 C ATOM 0 H ALA A 101 6.234 -7.839 -1.275 1.00 0.00 H new ATOM 0 HA ALA A 101 4.120 -9.409 -2.331 1.00 0.00 H new ATOM 0 HB1 ALA A 101 5.486 -9.362 -4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 101 5.364 -7.751 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 101 6.854 -8.707 -3.448 1.00 0.00 H new ATOM 1646 N LYS A 102 6.815 -10.969 -1.385 1.00 0.00 N ATOM 1647 CA LYS A 102 7.376 -12.283 -1.109 1.00 0.00 C ATOM 1648 C LYS A 102 6.570 -12.979 -0.011 1.00 0.00 C ATOM 1649 O LYS A 102 6.679 -14.189 0.186 1.00 0.00 O ATOM 1650 CB LYS A 102 8.844 -12.142 -0.688 1.00 0.00 C ATOM 1651 CG LYS A 102 9.576 -13.466 -0.529 1.00 0.00 C ATOM 1652 CD LYS A 102 11.017 -13.254 -0.095 1.00 0.00 C ATOM 1653 CE LYS A 102 11.750 -14.576 0.065 1.00 0.00 C ATOM 1654 NZ LYS A 102 11.165 -15.415 1.145 1.00 0.00 N ATOM 0 H LYS A 102 7.344 -10.194 -0.985 1.00 0.00 H new ATOM 0 HA LYS A 102 7.326 -12.891 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.367 -11.537 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.889 -11.599 0.256 1.00 0.00 H new ATOM 0 HG2 LYS A 102 9.060 -14.083 0.207 1.00 0.00 H new ATOM 0 HG3 LYS A 102 9.555 -14.011 -1.473 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.533 -12.637 -0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 102 11.038 -12.709 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.717 -15.124 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.800 -14.383 0.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.799 -16.214 1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.047 -14.842 2.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.239 -15.776 0.841 1.00 0.00 H new ATOM 1668 N ALA A 103 5.756 -12.200 0.694 1.00 0.00 N ATOM 1669 CA ALA A 103 4.924 -12.723 1.772 1.00 0.00 C ATOM 1670 C ALA A 103 3.528 -13.079 1.269 1.00 0.00 C ATOM 1671 O ALA A 103 2.650 -13.446 2.051 1.00 0.00 O ATOM 1672 CB ALA A 103 4.835 -11.717 2.909 1.00 0.00 C ATOM 0 H ALA A 103 5.655 -11.197 0.536 1.00 0.00 H new ATOM 0 HA ALA A 103 5.391 -13.635 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.211 -12.122 3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.834 -11.517 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 103 4.397 -10.790 2.541 1.00 0.00 H new ATOM 1678 N GLY A 104 3.329 -12.961 -0.040 1.00 0.00 N ATOM 1679 CA GLY A 104 2.067 -13.347 -0.641 1.00 0.00 C ATOM 1680 C GLY A 104 0.995 -12.285 -0.508 1.00 0.00 C ATOM 1681 O GLY A 104 -0.194 -12.579 -0.610 1.00 0.00 O ATOM 0 H GLY A 104 4.023 -12.603 -0.697 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.226 -13.564 -1.697 1.00 0.00 H new ATOM 0 HA3 GLY A 104 1.717 -14.268 -0.176 1.00 0.00 H new ATOM 1685 N VAL A 105 1.411 -11.051 -0.280 1.00 0.00 N ATOM 1686 CA VAL A 105 0.477 -9.945 -0.170 1.00 0.00 C ATOM 1687 C VAL A 105 0.105 -9.429 -1.554 1.00 0.00 C ATOM 1688 O VAL A 105 0.865 -8.697 -2.186 1.00 0.00 O ATOM 1689 CB VAL A 105 1.048 -8.788 0.680 1.00 0.00 C ATOM 1690 CG1 VAL A 105 0.048 -7.646 0.781 1.00 0.00 C ATOM 1691 CG2 VAL A 105 1.437 -9.279 2.066 1.00 0.00 C ATOM 0 H VAL A 105 2.391 -10.790 -0.167 1.00 0.00 H new ATOM 0 HA VAL A 105 -0.413 -10.322 0.333 1.00 0.00 H new ATOM 0 HB VAL A 105 1.944 -8.415 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 105 0.472 -6.843 1.384 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -0.177 -7.270 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -0.869 -8.005 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 105 1.837 -8.448 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 105 0.559 -9.684 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 105 2.195 -10.057 1.977 1.00 0.00 H new ATOM 1701 N PHE A 106 -1.056 -9.848 -2.029 1.00 0.00 N ATOM 1702 CA PHE A 106 -1.548 -9.416 -3.326 1.00 0.00 C ATOM 1703 C PHE A 106 -2.459 -8.204 -3.177 1.00 0.00 C ATOM 1704 O PHE A 106 -2.525 -7.353 -4.064 1.00 0.00 O ATOM 1705 CB PHE A 106 -2.304 -10.550 -4.026 1.00 0.00 C ATOM 1706 CG PHE A 106 -1.429 -11.681 -4.492 1.00 0.00 C ATOM 1707 CD1 PHE A 106 -1.055 -12.694 -3.624 1.00 0.00 C ATOM 1708 CD2 PHE A 106 -0.989 -11.733 -5.805 1.00 0.00 C ATOM 1709 CE1 PHE A 106 -0.258 -13.736 -4.055 1.00 0.00 C ATOM 1710 CE2 PHE A 106 -0.192 -12.773 -6.242 1.00 0.00 C ATOM 1711 CZ PHE A 106 0.174 -13.776 -5.366 1.00 0.00 C ATOM 0 H PHE A 106 -1.677 -10.489 -1.534 1.00 0.00 H new ATOM 0 HA PHE A 106 -0.688 -9.140 -3.936 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -3.056 -10.945 -3.343 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -2.837 -10.140 -4.884 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -1.391 -12.668 -2.598 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.272 -10.951 -6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.027 -14.519 -3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.145 -12.802 -7.268 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.797 -14.590 -5.706 1.00 0.00 H new ATOM 1721 N ARG A 107 -3.147 -8.123 -2.044 1.00 0.00 N ATOM 1722 CA ARG A 107 -4.080 -7.033 -1.798 1.00 0.00 C ATOM 1723 C ARG A 107 -3.643 -6.173 -0.621 1.00 0.00 C ATOM 1724 O ARG A 107 -3.828 -6.540 0.544 1.00 0.00 O ATOM 1725 CB ARG A 107 -5.500 -7.562 -1.563 1.00 0.00 C ATOM 1726 CG ARG A 107 -6.269 -7.843 -2.843 1.00 0.00 C ATOM 1727 CD ARG A 107 -7.695 -8.287 -2.558 1.00 0.00 C ATOM 1728 NE ARG A 107 -8.527 -8.271 -3.766 1.00 0.00 N ATOM 1729 CZ ARG A 107 -9.563 -9.085 -3.978 1.00 0.00 C ATOM 1730 NH1 ARG A 107 -9.875 -10.024 -3.091 1.00 0.00 N ATOM 1731 NH2 ARG A 107 -10.291 -8.967 -5.083 1.00 0.00 N ATOM 0 H ARG A 107 -3.076 -8.799 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.082 -6.409 -2.692 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -5.444 -8.478 -0.975 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.055 -6.836 -0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.284 -6.946 -3.462 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.755 -8.616 -3.414 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.685 -9.293 -2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.135 -7.632 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 107 -8.298 -7.592 -4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.321 -10.127 -2.241 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.668 -10.642 -3.260 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -10.059 -8.252 -5.773 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -11.082 -9.591 -5.242 1.00 0.00 H new ATOM 1745 N TRP A 108 -3.043 -5.040 -0.945 1.00 0.00 N ATOM 1746 CA TRP A 108 -2.708 -4.018 0.036 1.00 0.00 C ATOM 1747 C TRP A 108 -3.919 -3.102 0.206 1.00 0.00 C ATOM 1748 O TRP A 108 -4.103 -2.151 -0.550 1.00 0.00 O ATOM 1749 CB TRP A 108 -1.470 -3.236 -0.452 1.00 0.00 C ATOM 1750 CG TRP A 108 -1.003 -2.107 0.432 1.00 0.00 C ATOM 1751 CD1 TRP A 108 -1.749 -1.080 0.934 1.00 0.00 C ATOM 1752 CD2 TRP A 108 0.343 -1.865 0.864 1.00 0.00 C ATOM 1753 NE1 TRP A 108 -0.960 -0.234 1.668 1.00 0.00 N ATOM 1754 CE2 TRP A 108 0.327 -0.693 1.642 1.00 0.00 C ATOM 1755 CE3 TRP A 108 1.558 -2.534 0.682 1.00 0.00 C ATOM 1756 CZ2 TRP A 108 1.477 -0.170 2.228 1.00 0.00 C ATOM 1757 CZ3 TRP A 108 2.697 -2.012 1.265 1.00 0.00 C ATOM 1758 CH2 TRP A 108 2.649 -0.843 2.031 1.00 0.00 C ATOM 0 H TRP A 108 -2.773 -4.801 -1.899 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.466 -4.462 1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.646 -3.940 -0.573 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -1.689 -2.830 -1.439 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.810 -0.953 0.775 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.281 0.603 2.155 1.00 0.00 H new ATOM 0 HE3 TRP A 108 1.605 -3.441 0.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 1.443 0.735 2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.642 -2.516 1.126 1.00 0.00 H new ATOM 0 HH2 TRP A 108 3.557 -0.465 2.476 1.00 0.00 H new ATOM 1769 N VAL A 109 -4.768 -3.414 1.169 1.00 0.00 N ATOM 1770 CA VAL A 109 -5.998 -2.663 1.354 1.00 0.00 C ATOM 1771 C VAL A 109 -5.892 -1.744 2.562 1.00 0.00 C ATOM 1772 O VAL A 109 -6.074 -2.170 3.701 1.00 0.00 O ATOM 1773 CB VAL A 109 -7.219 -3.595 1.522 1.00 0.00 C ATOM 1774 CG1 VAL A 109 -8.502 -2.787 1.667 1.00 0.00 C ATOM 1775 CG2 VAL A 109 -7.324 -4.555 0.342 1.00 0.00 C ATOM 0 H VAL A 109 -4.630 -4.177 1.832 1.00 0.00 H new ATOM 0 HA VAL A 109 -6.144 -2.065 0.455 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.079 -4.178 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -9.348 -3.465 1.784 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.429 -2.143 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.649 -2.174 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.189 -5.204 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.437 -3.986 -0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -6.421 -5.162 0.285 1.00 0.00 H new ATOM 1785 N THR A 110 -5.575 -0.489 2.313 1.00 0.00 N ATOM 1786 CA THR A 110 -5.487 0.486 3.383 1.00 0.00 C ATOM 1787 C THR A 110 -6.818 1.205 3.547 1.00 0.00 C ATOM 1788 O THR A 110 -7.186 2.056 2.733 1.00 0.00 O ATOM 1789 CB THR A 110 -4.367 1.505 3.127 1.00 0.00 C ATOM 1790 OG1 THR A 110 -3.125 0.815 2.968 1.00 0.00 O ATOM 1791 CG2 THR A 110 -4.253 2.497 4.272 1.00 0.00 C ATOM 0 H THR A 110 -5.375 -0.121 1.383 1.00 0.00 H new ATOM 0 HA THR A 110 -5.249 -0.049 4.302 1.00 0.00 H new ATOM 0 HB THR A 110 -4.608 2.058 2.219 1.00 0.00 H new ATOM 0 HG1 THR A 110 -3.119 0.347 2.107 1.00 0.00 H new ATOM 0 HG21 THR A 110 -3.452 3.205 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.194 3.036 4.382 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.031 1.963 5.196 1.00 0.00 H new ATOM 1799 N ASN A 111 -7.540 0.839 4.593 1.00 0.00 N ATOM 1800 CA ASN A 111 -8.848 1.406 4.862 1.00 0.00 C ATOM 1801 C ASN A 111 -8.729 2.502 5.914 1.00 0.00 C ATOM 1802 O ASN A 111 -8.897 2.259 7.113 1.00 0.00 O ATOM 1803 CB ASN A 111 -9.814 0.304 5.316 1.00 0.00 C ATOM 1804 CG ASN A 111 -11.250 0.783 5.456 1.00 0.00 C ATOM 1805 OD1 ASN A 111 -11.671 1.734 4.802 1.00 0.00 O ATOM 1806 ND2 ASN A 111 -12.019 0.099 6.287 1.00 0.00 N ATOM 0 H ASN A 111 -7.237 0.144 5.275 1.00 0.00 H new ATOM 0 HA ASN A 111 -9.247 1.850 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -9.780 -0.517 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -9.476 -0.094 6.273 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.000 0.355 6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -11.631 -0.685 6.812 1.00 0.00 H new ATOM 1813 N ILE A 112 -8.407 3.704 5.446 1.00 0.00 N ATOM 1814 CA ILE A 112 -8.224 4.867 6.310 1.00 0.00 C ATOM 1815 C ILE A 112 -9.497 5.156 7.094 1.00 0.00 C ATOM 1816 O ILE A 112 -9.449 5.568 8.255 1.00 0.00 O ATOM 1817 CB ILE A 112 -7.838 6.122 5.482 1.00 0.00 C ATOM 1818 CG1 ILE A 112 -6.529 5.886 4.717 1.00 0.00 C ATOM 1819 CG2 ILE A 112 -7.715 7.349 6.379 1.00 0.00 C ATOM 1820 CD1 ILE A 112 -5.323 5.673 5.609 1.00 0.00 C ATOM 0 H ILE A 112 -8.265 3.900 4.455 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.415 4.638 7.003 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.633 6.305 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.649 5.016 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.341 6.741 4.067 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.444 8.215 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.668 7.535 6.873 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.945 7.175 7.130 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.438 5.513 4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.174 6.552 6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.487 4.800 6.241 1.00 0.00 H new ATOM 1832 N HIS A 113 -10.633 4.896 6.459 1.00 0.00 N ATOM 1833 CA HIS A 113 -11.935 5.158 7.055 1.00 0.00 C ATOM 1834 C HIS A 113 -12.114 4.380 8.360 1.00 0.00 C ATOM 1835 O HIS A 113 -12.863 4.795 9.238 1.00 0.00 O ATOM 1836 CB HIS A 113 -13.041 4.783 6.064 1.00 0.00 C ATOM 1837 CG HIS A 113 -14.382 5.359 6.401 1.00 0.00 C ATOM 1838 ND1 HIS A 113 -15.561 4.787 5.995 1.00 0.00 N ATOM 1839 CD2 HIS A 113 -14.724 6.468 7.098 1.00 0.00 C ATOM 1840 CE1 HIS A 113 -16.573 5.514 6.424 1.00 0.00 C ATOM 1841 NE2 HIS A 113 -16.096 6.542 7.100 1.00 0.00 N ATOM 0 H HIS A 113 -10.677 4.499 5.520 1.00 0.00 H new ATOM 0 HA HIS A 113 -11.998 6.221 7.287 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -12.752 5.120 5.068 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -13.124 3.697 6.022 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -14.045 7.165 7.566 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -17.618 5.304 6.251 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -16.652 7.270 7.549 1.00 0.00 H new ATOM 1850 N GLU A 114 -11.415 3.258 8.484 1.00 0.00 N ATOM 1851 CA GLU A 114 -11.527 2.428 9.674 1.00 0.00 C ATOM 1852 C GLU A 114 -10.206 2.400 10.444 1.00 0.00 C ATOM 1853 O GLU A 114 -10.121 1.809 11.521 1.00 0.00 O ATOM 1854 CB GLU A 114 -11.945 1.015 9.280 1.00 0.00 C ATOM 1855 CG GLU A 114 -12.633 0.247 10.392 1.00 0.00 C ATOM 1856 CD GLU A 114 -13.022 -1.151 9.969 1.00 0.00 C ATOM 1857 OE1 GLU A 114 -13.961 -1.294 9.157 1.00 0.00 O ATOM 1858 OE2 GLU A 114 -12.392 -2.112 10.450 1.00 0.00 O ATOM 0 H GLU A 114 -10.768 2.905 7.779 1.00 0.00 H new ATOM 0 HA GLU A 114 -12.288 2.855 10.327 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.614 1.070 8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.062 0.461 8.961 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.971 0.192 11.256 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.524 0.790 10.708 1.00 0.00 H new ATOM 1865 N GLN A 115 -9.185 3.046 9.872 1.00 0.00 N ATOM 1866 CA GLN A 115 -7.858 3.177 10.496 1.00 0.00 C ATOM 1867 C GLN A 115 -7.056 1.870 10.442 1.00 0.00 C ATOM 1868 O GLN A 115 -6.112 1.685 11.212 1.00 0.00 O ATOM 1869 CB GLN A 115 -7.975 3.654 11.950 1.00 0.00 C ATOM 1870 CG GLN A 115 -8.600 5.035 12.110 1.00 0.00 C ATOM 1871 CD GLN A 115 -7.706 6.153 11.604 1.00 0.00 C ATOM 1872 OE1 GLN A 115 -6.890 6.694 12.349 1.00 0.00 O ATOM 1873 NE2 GLN A 115 -7.860 6.520 10.342 1.00 0.00 N ATOM 0 H GLN A 115 -9.253 3.496 8.959 1.00 0.00 H new ATOM 0 HA GLN A 115 -7.318 3.925 9.916 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -8.570 2.932 12.510 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -6.981 3.664 12.398 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -9.548 5.063 11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -8.826 5.206 13.163 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -8.547 6.048 9.754 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -7.292 7.275 9.957 1.00 0.00 H new ATOM 1882 N LYS A 116 -7.401 0.985 9.516 1.00 0.00 N ATOM 1883 CA LYS A 116 -6.697 -0.293 9.380 1.00 0.00 C ATOM 1884 C LYS A 116 -6.022 -0.420 8.020 1.00 0.00 C ATOM 1885 O LYS A 116 -6.560 0.012 7.002 1.00 0.00 O ATOM 1886 CB LYS A 116 -7.648 -1.484 9.543 1.00 0.00 C ATOM 1887 CG LYS A 116 -7.927 -1.917 10.975 1.00 0.00 C ATOM 1888 CD LYS A 116 -8.866 -0.965 11.688 1.00 0.00 C ATOM 1889 CE LYS A 116 -9.644 -1.676 12.781 1.00 0.00 C ATOM 1890 NZ LYS A 116 -10.520 -2.745 12.228 1.00 0.00 N ATOM 0 H LYS A 116 -8.160 1.123 8.849 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.947 -0.306 10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -8.597 -1.235 9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -7.233 -2.333 9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -8.360 -2.917 10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -6.987 -1.977 11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -8.295 -0.143 12.120 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -9.560 -0.528 10.970 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -8.948 -2.111 13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.252 -0.952 13.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -11.256 -2.985 12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -10.968 -2.408 11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -9.949 -3.590 12.022 1.00 0.00 H new ATOM 1904 N ARG A 117 -4.845 -1.022 8.014 1.00 0.00 N ATOM 1905 CA ARG A 117 -4.184 -1.416 6.779 1.00 0.00 C ATOM 1906 C ARG A 117 -4.178 -2.936 6.692 1.00 0.00 C ATOM 1907 O ARG A 117 -3.474 -3.605 7.446 1.00 0.00 O ATOM 1908 CB ARG A 117 -2.756 -0.858 6.724 1.00 0.00 C ATOM 1909 CG ARG A 117 -1.994 -1.232 5.460 1.00 0.00 C ATOM 1910 CD ARG A 117 -0.888 -0.230 5.149 1.00 0.00 C ATOM 1911 NE ARG A 117 0.064 -0.069 6.250 1.00 0.00 N ATOM 1912 CZ ARG A 117 0.642 1.090 6.571 1.00 0.00 C ATOM 1913 NH1 ARG A 117 0.380 2.187 5.863 1.00 0.00 N ATOM 1914 NH2 ARG A 117 1.486 1.151 7.590 1.00 0.00 N ATOM 0 H ARG A 117 -4.322 -1.251 8.859 1.00 0.00 H new ATOM 0 HA ARG A 117 -4.726 -1.006 5.927 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -2.798 0.228 6.803 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -2.202 -1.219 7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -1.562 -2.226 5.577 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.686 -1.282 4.620 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.352 -0.554 4.257 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -1.335 0.737 4.918 1.00 0.00 H new ATOM 0 HE ARG A 117 0.299 -0.892 6.805 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.264 2.143 5.073 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.823 3.072 6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 117 1.695 0.311 8.130 1.00 0.00 H new ATOM 0 HH22 ARG A 117 1.927 2.038 7.834 1.00 0.00 H new ATOM 1928 N TYR A 118 -4.998 -3.476 5.803 1.00 0.00 N ATOM 1929 CA TYR A 118 -5.166 -4.918 5.686 1.00 0.00 C ATOM 1930 C TYR A 118 -4.272 -5.490 4.595 1.00 0.00 C ATOM 1931 O TYR A 118 -4.156 -4.922 3.508 1.00 0.00 O ATOM 1932 CB TYR A 118 -6.625 -5.269 5.379 1.00 0.00 C ATOM 1933 CG TYR A 118 -7.600 -4.893 6.468 1.00 0.00 C ATOM 1934 CD1 TYR A 118 -7.693 -5.647 7.627 1.00 0.00 C ATOM 1935 CD2 TYR A 118 -8.431 -3.787 6.334 1.00 0.00 C ATOM 1936 CE1 TYR A 118 -8.582 -5.312 8.628 1.00 0.00 C ATOM 1937 CE2 TYR A 118 -9.326 -3.444 7.330 1.00 0.00 C ATOM 1938 CZ TYR A 118 -9.397 -4.210 8.476 1.00 0.00 C ATOM 1939 OH TYR A 118 -10.276 -3.868 9.481 1.00 0.00 O ATOM 0 H TYR A 118 -5.561 -2.934 5.148 1.00 0.00 H new ATOM 0 HA TYR A 118 -4.881 -5.358 6.642 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.920 -4.769 4.456 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.697 -6.341 5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -7.058 -6.512 7.749 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.377 -3.186 5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -8.639 -5.910 9.526 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -9.966 -2.582 7.212 1.00 0.00 H new ATOM 0 HH TYR A 118 -10.799 -3.086 9.206 1.00 0.00 H new ATOM 1949 N TYR A 119 -3.642 -6.612 4.897 1.00 0.00 N ATOM 1950 CA TYR A 119 -2.826 -7.321 3.928 1.00 0.00 C ATOM 1951 C TYR A 119 -3.487 -8.647 3.581 1.00 0.00 C ATOM 1952 O TYR A 119 -3.563 -9.549 4.421 1.00 0.00 O ATOM 1953 CB TYR A 119 -1.421 -7.566 4.487 1.00 0.00 C ATOM 1954 CG TYR A 119 -0.681 -6.299 4.864 1.00 0.00 C ATOM 1955 CD1 TYR A 119 0.114 -5.633 3.939 1.00 0.00 C ATOM 1956 CD2 TYR A 119 -0.776 -5.771 6.146 1.00 0.00 C ATOM 1957 CE1 TYR A 119 0.792 -4.479 4.279 1.00 0.00 C ATOM 1958 CE2 TYR A 119 -0.101 -4.618 6.494 1.00 0.00 C ATOM 1959 CZ TYR A 119 0.680 -3.976 5.558 1.00 0.00 C ATOM 1960 OH TYR A 119 1.358 -2.831 5.906 1.00 0.00 O ATOM 0 H TYR A 119 -3.681 -7.055 5.815 1.00 0.00 H new ATOM 0 HA TYR A 119 -2.737 -6.713 3.028 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.497 -8.206 5.366 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -0.836 -8.110 3.746 1.00 0.00 H new ATOM 0 HD1 TYR A 119 0.203 -6.025 2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.388 -6.271 6.882 1.00 0.00 H new ATOM 0 HE1 TYR A 119 1.406 -3.974 3.548 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -0.185 -4.221 7.495 1.00 0.00 H new ATOM 0 HH TYR A 119 1.827 -2.974 6.754 1.00 0.00 H new ATOM 1970 N TYR A 120 -3.990 -8.752 2.357 1.00 0.00 N ATOM 1971 CA TYR A 120 -4.659 -9.966 1.909 1.00 0.00 C ATOM 1972 C TYR A 120 -3.837 -10.686 0.847 1.00 0.00 C ATOM 1973 O TYR A 120 -3.126 -10.059 0.059 1.00 0.00 O ATOM 1974 CB TYR A 120 -6.040 -9.658 1.320 1.00 0.00 C ATOM 1975 CG TYR A 120 -7.021 -9.016 2.272 1.00 0.00 C ATOM 1976 CD1 TYR A 120 -7.681 -9.764 3.238 1.00 0.00 C ATOM 1977 CD2 TYR A 120 -7.313 -7.662 2.176 1.00 0.00 C ATOM 1978 CE1 TYR A 120 -8.606 -9.181 4.084 1.00 0.00 C ATOM 1979 CE2 TYR A 120 -8.229 -7.070 3.021 1.00 0.00 C ATOM 1980 CZ TYR A 120 -8.876 -7.832 3.973 1.00 0.00 C ATOM 1981 OH TYR A 120 -9.800 -7.241 4.809 1.00 0.00 O ATOM 0 H TYR A 120 -3.947 -8.011 1.657 1.00 0.00 H new ATOM 0 HA TYR A 120 -4.770 -10.603 2.786 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -5.911 -9.001 0.460 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -6.474 -10.587 0.950 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -7.468 -10.819 3.330 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.815 -7.063 1.428 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -9.114 -9.777 4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.439 -6.014 2.938 1.00 0.00 H new ATOM 0 HH TYR A 120 -9.358 -6.555 5.352 1.00 0.00 H new ATOM 1991 N THR A 121 -3.947 -12.002 0.832 1.00 0.00 N ATOM 1992 CA THR A 121 -3.386 -12.813 -0.238 1.00 0.00 C ATOM 1993 C THR A 121 -4.390 -12.872 -1.401 1.00 0.00 C ATOM 1994 O THR A 121 -5.480 -12.298 -1.308 1.00 0.00 O ATOM 1995 CB THR A 121 -3.039 -14.234 0.285 1.00 0.00 C ATOM 1996 OG1 THR A 121 -2.748 -15.145 -0.787 1.00 0.00 O ATOM 1997 CG2 THR A 121 -4.174 -14.783 1.128 1.00 0.00 C ATOM 0 H THR A 121 -4.425 -12.538 1.556 1.00 0.00 H new ATOM 0 HA THR A 121 -2.460 -12.363 -0.597 1.00 0.00 H new ATOM 0 HB THR A 121 -2.143 -14.139 0.899 1.00 0.00 H new ATOM 0 HG1 THR A 121 -3.422 -15.856 -0.804 1.00 0.00 H new ATOM 0 HG21 THR A 121 -3.913 -15.779 1.486 1.00 0.00 H new ATOM 0 HG22 THR A 121 -4.346 -14.125 1.980 1.00 0.00 H new ATOM 0 HG23 THR A 121 -5.080 -14.840 0.525 1.00 0.00 H new ATOM 2005 N PHE A 122 -4.032 -13.548 -2.486 1.00 0.00 N ATOM 2006 CA PHE A 122 -4.888 -13.620 -3.669 1.00 0.00 C ATOM 2007 C PHE A 122 -6.207 -14.314 -3.340 1.00 0.00 C ATOM 2008 O PHE A 122 -7.263 -13.961 -3.869 1.00 0.00 O ATOM 2009 CB PHE A 122 -4.166 -14.360 -4.801 1.00 0.00 C ATOM 2010 CG PHE A 122 -4.925 -14.371 -6.098 1.00 0.00 C ATOM 2011 CD1 PHE A 122 -4.962 -13.243 -6.904 1.00 0.00 C ATOM 2012 CD2 PHE A 122 -5.603 -15.507 -6.511 1.00 0.00 C ATOM 2013 CE1 PHE A 122 -5.662 -13.249 -8.096 1.00 0.00 C ATOM 2014 CE2 PHE A 122 -6.306 -15.519 -7.702 1.00 0.00 C ATOM 2015 CZ PHE A 122 -6.334 -14.388 -8.495 1.00 0.00 C ATOM 0 H PHE A 122 -3.152 -14.057 -2.573 1.00 0.00 H new ATOM 0 HA PHE A 122 -5.108 -12.604 -3.997 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -3.193 -13.896 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.981 -15.388 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.438 -12.350 -6.597 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -5.582 -16.394 -5.895 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -5.683 -12.364 -8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -6.832 -16.410 -8.011 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.881 -14.394 -9.426 1.00 0.00 H new ATOM 2025 N ASP A 123 -6.144 -15.278 -2.435 1.00 0.00 N ATOM 2026 CA ASP A 123 -7.328 -16.007 -2.000 1.00 0.00 C ATOM 2027 C ASP A 123 -8.031 -15.264 -0.861 1.00 0.00 C ATOM 2028 O ASP A 123 -8.738 -15.865 -0.055 1.00 0.00 O ATOM 2029 CB ASP A 123 -6.942 -17.427 -1.573 1.00 0.00 C ATOM 2030 CG ASP A 123 -5.922 -17.451 -0.454 1.00 0.00 C ATOM 2031 OD1 ASP A 123 -4.750 -17.091 -0.700 1.00 0.00 O ATOM 2032 OD2 ASP A 123 -6.294 -17.823 0.681 1.00 0.00 O ATOM 0 H ASP A 123 -5.279 -15.576 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 123 -8.026 -16.075 -2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.837 -17.960 -1.253 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -6.542 -17.963 -2.434 1.00 0.00 H new ATOM 2037 N ASN A 124 -7.807 -13.945 -0.822 1.00 0.00 N ATOM 2038 CA ASN A 124 -8.481 -12.993 0.083 1.00 0.00 C ATOM 2039 C ASN A 124 -8.397 -13.370 1.564 1.00 0.00 C ATOM 2040 O ASN A 124 -9.135 -12.821 2.383 1.00 0.00 O ATOM 2041 CB ASN A 124 -9.950 -12.735 -0.326 1.00 0.00 C ATOM 2042 CG ASN A 124 -10.894 -13.908 -0.104 1.00 0.00 C ATOM 2043 OD1 ASN A 124 -11.119 -14.718 -1.005 1.00 0.00 O ATOM 2044 ND2 ASN A 124 -11.478 -13.992 1.083 1.00 0.00 N ATOM 0 H ASN A 124 -7.131 -13.492 -1.437 1.00 0.00 H new ATOM 0 HA ASN A 124 -7.920 -12.066 -0.032 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -10.322 -11.877 0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -9.975 -12.462 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 124 -12.138 -14.746 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -11.267 -13.303 1.805 1.00 0.00 H new ATOM 2051 N SER A 125 -7.490 -14.265 1.921 1.00 0.00 N ATOM 2052 CA SER A 125 -7.251 -14.565 3.324 1.00 0.00 C ATOM 2053 C SER A 125 -6.493 -13.417 3.976 1.00 0.00 C ATOM 2054 O SER A 125 -5.545 -12.880 3.392 1.00 0.00 O ATOM 2055 CB SER A 125 -6.457 -15.864 3.478 1.00 0.00 C ATOM 2056 OG SER A 125 -7.167 -16.968 2.947 1.00 0.00 O ATOM 0 H SER A 125 -6.912 -14.792 1.266 1.00 0.00 H new ATOM 0 HA SER A 125 -8.215 -14.691 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 125 -5.497 -15.768 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.244 -16.039 4.532 1.00 0.00 H new ATOM 0 HG SER A 125 -6.965 -17.058 1.992 1.00 0.00 H new ATOM 2062 N LEU A 126 -6.927 -13.024 5.165 1.00 0.00 N ATOM 2063 CA LEU A 126 -6.247 -11.981 5.908 1.00 0.00 C ATOM 2064 C LEU A 126 -4.900 -12.492 6.399 1.00 0.00 C ATOM 2065 O LEU A 126 -4.831 -13.444 7.178 1.00 0.00 O ATOM 2066 CB LEU A 126 -7.103 -11.512 7.090 1.00 0.00 C ATOM 2067 CG LEU A 126 -6.498 -10.380 7.928 1.00 0.00 C ATOM 2068 CD1 LEU A 126 -6.302 -9.132 7.082 1.00 0.00 C ATOM 2069 CD2 LEU A 126 -7.382 -10.078 9.130 1.00 0.00 C ATOM 0 H LEU A 126 -7.746 -13.413 5.633 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.085 -11.129 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.070 -11.183 6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.291 -12.365 7.743 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.522 -10.704 8.290 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.872 -8.340 7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.629 -9.356 6.254 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -7.264 -8.804 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.938 -9.272 9.715 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.371 -9.775 8.787 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -7.470 -10.970 9.750 1.00 0.00 H new ATOM 2081 N LEU A 127 -3.834 -11.881 5.915 1.00 0.00 N ATOM 2082 CA LEU A 127 -2.495 -12.257 6.325 1.00 0.00 C ATOM 2083 C LEU A 127 -2.107 -11.505 7.582 1.00 0.00 C ATOM 2084 O LEU A 127 -1.644 -12.096 8.558 1.00 0.00 O ATOM 2085 CB LEU A 127 -1.490 -11.963 5.208 1.00 0.00 C ATOM 2086 CG LEU A 127 -1.706 -12.758 3.922 1.00 0.00 C ATOM 2087 CD1 LEU A 127 -0.684 -12.366 2.871 1.00 0.00 C ATOM 2088 CD2 LEU A 127 -1.628 -14.246 4.206 1.00 0.00 C ATOM 0 H LEU A 127 -3.871 -11.121 5.236 1.00 0.00 H new ATOM 0 HA LEU A 127 -2.483 -13.327 6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -1.532 -10.900 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -0.486 -12.167 5.580 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.699 -12.526 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -0.856 -12.944 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.780 -11.303 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 127 0.319 -12.569 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -1.784 -14.802 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -0.646 -14.488 4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.398 -14.520 4.928 1.00 0.00 H new ATOM 2100 N PHE A 128 -2.330 -10.202 7.562 1.00 0.00 N ATOM 2101 CA PHE A 128 -1.939 -9.348 8.670 1.00 0.00 C ATOM 2102 C PHE A 128 -2.632 -7.996 8.541 1.00 0.00 C ATOM 2103 O PHE A 128 -3.207 -7.690 7.495 1.00 0.00 O ATOM 2104 CB PHE A 128 -0.415 -9.175 8.659 1.00 0.00 C ATOM 2105 CG PHE A 128 0.183 -8.898 10.005 1.00 0.00 C ATOM 2106 CD1 PHE A 128 0.398 -9.932 10.902 1.00 0.00 C ATOM 2107 CD2 PHE A 128 0.540 -7.611 10.370 1.00 0.00 C ATOM 2108 CE1 PHE A 128 0.958 -9.685 12.141 1.00 0.00 C ATOM 2109 CE2 PHE A 128 1.099 -7.357 11.607 1.00 0.00 C ATOM 2110 CZ PHE A 128 1.308 -8.396 12.495 1.00 0.00 C ATOM 0 H PHE A 128 -2.781 -9.712 6.789 1.00 0.00 H new ATOM 0 HA PHE A 128 -2.237 -9.803 9.615 1.00 0.00 H new ATOM 0 HB2 PHE A 128 0.039 -10.078 8.252 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -0.158 -8.358 7.985 1.00 0.00 H new ATOM 0 HD1 PHE A 128 0.125 -10.941 10.630 1.00 0.00 H new ATOM 0 HD2 PHE A 128 0.379 -6.796 9.679 1.00 0.00 H new ATOM 0 HE1 PHE A 128 1.122 -10.499 12.832 1.00 0.00 H new ATOM 0 HE2 PHE A 128 1.372 -6.349 11.880 1.00 0.00 H new ATOM 0 HZ PHE A 128 1.744 -8.200 13.464 1.00 0.00 H new ATOM 2120 N THR A 129 -2.593 -7.198 9.598 1.00 0.00 N ATOM 2121 CA THR A 129 -3.155 -5.862 9.559 1.00 0.00 C ATOM 2122 C THR A 129 -2.488 -4.985 10.610 1.00 0.00 C ATOM 2123 O THR A 129 -1.975 -5.485 11.615 1.00 0.00 O ATOM 2124 CB THR A 129 -4.689 -5.868 9.768 1.00 0.00 C ATOM 2125 OG1 THR A 129 -5.241 -4.612 9.355 1.00 0.00 O ATOM 2126 CG2 THR A 129 -5.053 -6.114 11.227 1.00 0.00 C ATOM 0 H THR A 129 -2.177 -7.456 10.493 1.00 0.00 H new ATOM 0 HA THR A 129 -2.963 -5.455 8.566 1.00 0.00 H new ATOM 0 HB THR A 129 -5.102 -6.678 9.166 1.00 0.00 H new ATOM 0 HG1 THR A 129 -6.039 -4.769 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 129 -6.137 -6.112 11.337 1.00 0.00 H new ATOM 0 HG22 THR A 129 -4.658 -7.080 11.543 1.00 0.00 H new ATOM 0 HG23 THR A 129 -4.624 -5.327 11.847 1.00 0.00 H new ATOM 2134 N GLU A 130 -2.486 -3.686 10.365 1.00 0.00 N ATOM 2135 CA GLU A 130 -1.856 -2.732 11.259 1.00 0.00 C ATOM 2136 C GLU A 130 -2.602 -1.403 11.231 1.00 0.00 C ATOM 2137 O GLU A 130 -3.366 -1.131 10.303 1.00 0.00 O ATOM 2138 CB GLU A 130 -0.396 -2.526 10.849 1.00 0.00 C ATOM 2139 CG GLU A 130 -0.228 -2.182 9.376 1.00 0.00 C ATOM 2140 CD GLU A 130 1.219 -2.040 8.963 1.00 0.00 C ATOM 2141 OE1 GLU A 130 1.760 -0.924 9.077 1.00 0.00 O ATOM 2142 OE2 GLU A 130 1.804 -3.035 8.491 1.00 0.00 O ATOM 0 H GLU A 130 -2.920 -3.265 9.543 1.00 0.00 H new ATOM 0 HA GLU A 130 -1.890 -3.125 12.275 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.035 -1.727 11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.168 -3.432 11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -0.698 -2.958 8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -0.753 -1.251 9.164 1.00 0.00 H new ATOM 2149 N SER A 131 -2.398 -0.593 12.255 1.00 0.00 N ATOM 2150 CA SER A 131 -2.964 0.745 12.289 1.00 0.00 C ATOM 2151 C SER A 131 -2.085 1.694 11.476 1.00 0.00 C ATOM 2152 O SER A 131 -0.861 1.665 11.593 1.00 0.00 O ATOM 2153 CB SER A 131 -3.082 1.231 13.733 1.00 0.00 C ATOM 2154 OG SER A 131 -3.726 0.260 14.543 1.00 0.00 O ATOM 0 H SER A 131 -1.844 -0.839 13.075 1.00 0.00 H new ATOM 0 HA SER A 131 -3.962 0.724 11.851 1.00 0.00 H new ATOM 0 HB2 SER A 131 -2.090 1.443 14.132 1.00 0.00 H new ATOM 0 HB3 SER A 131 -3.643 2.165 13.762 1.00 0.00 H new ATOM 0 HG SER A 131 -3.789 0.591 15.463 1.00 0.00 H new ATOM 2160 N ILE A 132 -2.706 2.530 10.657 1.00 0.00 N ATOM 2161 CA ILE A 132 -1.965 3.393 9.744 1.00 0.00 C ATOM 2162 C ILE A 132 -1.395 4.637 10.429 1.00 0.00 C ATOM 2163 O ILE A 132 -1.909 5.742 10.274 1.00 0.00 O ATOM 2164 CB ILE A 132 -2.816 3.789 8.511 1.00 0.00 C ATOM 2165 CG1 ILE A 132 -4.317 3.847 8.845 1.00 0.00 C ATOM 2166 CG2 ILE A 132 -2.567 2.807 7.382 1.00 0.00 C ATOM 2167 CD1 ILE A 132 -4.730 5.021 9.710 1.00 0.00 C ATOM 0 H ILE A 132 -3.720 2.630 10.605 1.00 0.00 H new ATOM 0 HA ILE A 132 -1.116 2.802 9.400 1.00 0.00 H new ATOM 0 HB ILE A 132 -2.513 4.789 8.201 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -4.881 3.884 7.913 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -4.598 2.924 9.351 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -3.167 3.088 6.516 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -1.511 2.823 7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -2.844 1.803 7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -5.804 4.978 9.893 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -4.198 4.978 10.660 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -4.486 5.953 9.200 1.00 0.00 H new ATOM 2179 N GLN A 133 -0.329 4.440 11.196 1.00 0.00 N ATOM 2180 CA GLN A 133 0.367 5.538 11.854 1.00 0.00 C ATOM 2181 C GLN A 133 1.754 5.102 12.300 1.00 0.00 C ATOM 2182 O GLN A 133 1.933 3.987 12.794 1.00 0.00 O ATOM 2183 CB GLN A 133 -0.426 6.033 13.068 1.00 0.00 C ATOM 2184 CG GLN A 133 -1.061 7.400 12.872 1.00 0.00 C ATOM 2185 CD GLN A 133 -0.036 8.495 12.645 1.00 0.00 C ATOM 2186 OE1 GLN A 133 0.354 8.773 11.511 1.00 0.00 O ATOM 2187 NE2 GLN A 133 0.404 9.128 13.722 1.00 0.00 N ATOM 0 H GLN A 133 0.075 3.521 11.378 1.00 0.00 H new ATOM 0 HA GLN A 133 0.461 6.352 11.135 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -1.208 5.310 13.299 1.00 0.00 H new ATOM 0 HB3 GLN A 133 0.237 6.072 13.932 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -1.740 7.362 12.020 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -1.661 7.646 13.748 1.00 0.00 H new ATOM 0 HE21 GLN A 133 0.056 8.867 14.645 1.00 0.00 H new ATOM 0 HE22 GLN A 133 1.091 9.876 13.629 1.00 0.00 H new TER 2196 GLN A 133