USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 848 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 130 HIS : no HD1:sc= 1.13 K(o=1.3,f=-4.5!) USER MOD Set 1.2: A 134 HIS : no HD1:sc= 0.176 K(o=1.3,f=-3.8!) USER MOD Set 2.1: A 4 THR OG1 : rot -84:sc= 0.78 USER MOD Set 2.2: A 104 SER OG : rot 180:sc= 0.686 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.48 USER MOD Set 3.2: A 100 THR OG1 : rot -67:sc= 0.529 USER MOD Set 4.1: A 20 TYR OH : rot 0:sc= 0.545 USER MOD Set 4.2: A 81 TYR OH : rot -20:sc= 0.605 USER MOD Set 5.1: A 7 THR OG1 : rot -160:sc= -0.42 USER MOD Set 5.2: A 121 GLN : amide:sc= 0.901 K(o=1.1,f=-2.4!) USER MOD Set 5.3: A 125 ASN : amide:sc= 0.607 K(o=1.1,f=-3.5) USER MOD Single : A 1 MET CE :methyl 167:sc=-0.00223 (180deg=-0.202) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc=-0.00149 X(o=-0.0015,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -170:sc= -0.193 USER MOD Single : A 22 THR OG1 : rot 67:sc= 1.25 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 34:sc= 0.397 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 100:sc= -0.104 USER MOD Single : A 71 THR OG1 : rot 162:sc= 0.309 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.0193 X(o=-0.019,f=0.21) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.0239 X(o=-0.024,f=-0.17) USER MOD Single : A 116 GLN : amide:sc= 0.324 K(o=0.32,f=-2.8!) USER MOD Single : A 117 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 118 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 126 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.4!) USER MOD Single : A 128 LYS NZ :NH3+ -177:sc= 0.902 (180deg=0.895) USER MOD Single : A 133 SER OG : rot -28:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.118 13.129 13.551 1.00 0.00 N ATOM 2 CA MET A 1 -1.380 13.634 12.399 1.00 0.00 C ATOM 3 C MET A 1 -1.694 12.816 11.151 1.00 0.00 C ATOM 4 O MET A 1 -1.461 11.609 11.113 1.00 0.00 O ATOM 5 CB MET A 1 0.121 13.616 12.684 1.00 0.00 C ATOM 6 CG MET A 1 0.988 14.084 11.523 1.00 0.00 C ATOM 7 SD MET A 1 0.689 15.808 11.085 1.00 0.00 S ATOM 8 CE MET A 1 1.433 16.646 12.483 1.00 0.00 C ATOM 0 H1 MET A 1 -1.888 13.701 14.388 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.139 13.187 13.362 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.854 12.138 13.726 1.00 0.00 H new ATOM 0 HA MET A 1 -1.691 14.663 12.217 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.322 14.248 13.549 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.415 12.602 12.955 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.038 13.956 11.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.797 13.454 10.654 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.537 17.707 12.258 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.799 16.522 13.361 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.416 16.219 12.682 1.00 0.00 H new ATOM 20 N ASN A 2 -2.226 13.482 10.132 1.00 0.00 N ATOM 21 CA ASN A 2 -2.489 12.836 8.850 1.00 0.00 C ATOM 22 C ASN A 2 -1.368 13.122 7.856 1.00 0.00 C ATOM 23 O ASN A 2 -1.079 14.278 7.547 1.00 0.00 O ATOM 24 CB ASN A 2 -3.826 13.265 8.275 1.00 0.00 C ATOM 25 CG ASN A 2 -5.006 12.850 9.110 1.00 0.00 C ATOM 26 OD1 ASN A 2 -5.280 11.657 9.285 1.00 0.00 O ATOM 27 ND2 ASN A 2 -5.751 13.828 9.559 1.00 0.00 N ATOM 0 H ASN A 2 -2.484 14.468 10.168 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.529 11.762 9.029 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.833 14.350 8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -3.933 12.843 7.276 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.603 13.622 10.081 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -5.480 14.796 9.387 1.00 0.00 H new ATOM 34 N ILE A 3 -0.741 12.062 7.359 1.00 0.00 N ATOM 35 CA ILE A 3 0.343 12.198 6.394 1.00 0.00 C ATOM 36 C ILE A 3 -0.072 11.674 5.023 1.00 0.00 C ATOM 37 O ILE A 3 -0.653 10.594 4.908 1.00 0.00 O ATOM 38 CB ILE A 3 1.609 11.454 6.857 1.00 0.00 C ATOM 39 CG1 ILE A 3 2.051 11.960 8.233 1.00 0.00 C ATOM 40 CG2 ILE A 3 2.727 11.621 5.839 1.00 0.00 C ATOM 41 CD1 ILE A 3 2.402 13.430 8.258 1.00 0.00 C ATOM 0 H ILE A 3 -0.965 11.099 7.609 1.00 0.00 H new ATOM 0 HA ILE A 3 0.567 13.262 6.320 1.00 0.00 H new ATOM 0 HB ILE A 3 1.377 10.392 6.939 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.253 11.774 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.916 11.384 8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.614 11.089 6.182 1.00 0.00 H new ATOM 0 HG22 ILE A 3 2.409 11.214 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.960 12.680 5.725 1.00 0.00 H new ATOM 0 HD11 ILE A 3 2.705 13.715 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.221 13.620 7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 3 1.533 14.017 7.962 1.00 0.00 H new ATOM 53 N THR A 4 0.233 12.445 3.983 1.00 0.00 N ATOM 54 CA THR A 4 -0.152 12.083 2.625 1.00 0.00 C ATOM 55 C THR A 4 1.072 11.921 1.731 1.00 0.00 C ATOM 56 O THR A 4 1.987 12.745 1.759 1.00 0.00 O ATOM 57 CB THR A 4 -1.093 13.134 2.006 1.00 0.00 C ATOM 58 OG1 THR A 4 -2.285 13.237 2.797 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.466 12.744 0.584 1.00 0.00 C ATOM 0 H THR A 4 0.745 13.324 4.056 1.00 0.00 H new ATOM 0 HA THR A 4 -0.679 11.131 2.690 1.00 0.00 H new ATOM 0 HB THR A 4 -0.577 14.094 1.986 1.00 0.00 H new ATOM 0 HG1 THR A 4 -2.921 12.543 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.131 13.498 0.163 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.563 12.676 -0.023 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.971 11.778 0.592 1.00 0.00 H new ATOM 67 N VAL A 5 1.082 10.856 0.937 1.00 0.00 N ATOM 68 CA VAL A 5 2.150 10.634 -0.031 1.00 0.00 C ATOM 69 C VAL A 5 1.585 10.302 -1.407 1.00 0.00 C ATOM 70 O VAL A 5 0.474 9.787 -1.525 1.00 0.00 O ATOM 71 CB VAL A 5 3.089 9.498 0.416 1.00 0.00 C ATOM 72 CG1 VAL A 5 3.856 9.902 1.666 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.301 8.222 0.666 1.00 0.00 C ATOM 0 H VAL A 5 0.363 10.133 0.945 1.00 0.00 H new ATOM 0 HA VAL A 5 2.720 11.561 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 5 3.806 9.310 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.515 9.088 1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.451 10.791 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.153 10.117 2.471 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.981 7.430 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.562 8.398 1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.794 7.922 -0.251 1.00 0.00 H new ATOM 83 N GLU A 6 2.357 10.603 -2.447 1.00 0.00 N ATOM 84 CA GLU A 6 1.886 10.453 -3.818 1.00 0.00 C ATOM 85 C GLU A 6 2.966 9.832 -4.699 1.00 0.00 C ATOM 86 O GLU A 6 4.147 10.160 -4.580 1.00 0.00 O ATOM 87 CB GLU A 6 1.451 11.804 -4.388 1.00 0.00 C ATOM 88 CG GLU A 6 0.222 12.403 -3.718 1.00 0.00 C ATOM 89 CD GLU A 6 -0.149 13.722 -4.335 1.00 0.00 C ATOM 90 OE1 GLU A 6 0.657 14.621 -4.299 1.00 0.00 O ATOM 91 OE2 GLU A 6 -1.192 13.799 -4.942 1.00 0.00 O ATOM 0 H GLU A 6 3.312 10.952 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 6 1.025 9.785 -3.807 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.279 12.507 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.249 11.687 -5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.615 11.711 -3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.415 12.539 -2.654 1.00 0.00 H new ATOM 98 N THR A 7 2.553 8.933 -5.586 1.00 0.00 N ATOM 99 CA THR A 7 3.438 8.420 -6.624 1.00 0.00 C ATOM 100 C THR A 7 2.672 8.139 -7.912 1.00 0.00 C ATOM 101 O THR A 7 1.605 7.524 -7.891 1.00 0.00 O ATOM 102 CB THR A 7 4.153 7.133 -6.172 1.00 0.00 C ATOM 103 OG1 THR A 7 4.947 7.406 -5.010 1.00 0.00 O ATOM 104 CG2 THR A 7 5.049 6.602 -7.280 1.00 0.00 C ATOM 0 H THR A 7 1.610 8.545 -5.606 1.00 0.00 H new ATOM 0 HA THR A 7 4.184 9.192 -6.810 1.00 0.00 H new ATOM 0 HB THR A 7 3.399 6.381 -5.937 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.630 6.710 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.546 5.693 -6.942 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.446 6.380 -8.161 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.798 7.352 -7.533 1.00 0.00 H new ATOM 112 N THR A 8 3.224 8.590 -9.034 1.00 0.00 N ATOM 113 CA THR A 8 2.582 8.408 -10.329 1.00 0.00 C ATOM 114 C THR A 8 3.261 7.302 -11.129 1.00 0.00 C ATOM 115 O THR A 8 4.467 7.347 -11.368 1.00 0.00 O ATOM 116 CB THR A 8 2.594 9.708 -11.155 1.00 0.00 C ATOM 117 OG1 THR A 8 1.853 10.722 -10.464 1.00 0.00 O ATOM 118 CG2 THR A 8 1.974 9.476 -12.524 1.00 0.00 C ATOM 0 H THR A 8 4.115 9.084 -9.071 1.00 0.00 H new ATOM 0 HA THR A 8 1.548 8.126 -10.130 1.00 0.00 H new ATOM 0 HB THR A 8 3.628 10.029 -11.286 1.00 0.00 H new ATOM 0 HG1 THR A 8 1.862 11.549 -10.989 1.00 0.00 H new ATOM 0 HG21 THR A 8 1.991 10.405 -13.093 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.543 8.714 -13.056 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.943 9.143 -12.405 1.00 0.00 H new ATOM 126 N VAL A 9 2.478 6.309 -11.541 1.00 0.00 N ATOM 127 CA VAL A 9 3.017 5.154 -12.249 1.00 0.00 C ATOM 128 C VAL A 9 2.350 4.983 -13.610 1.00 0.00 C ATOM 129 O VAL A 9 1.173 5.300 -13.778 1.00 0.00 O ATOM 130 CB VAL A 9 2.843 3.859 -11.435 1.00 0.00 C ATOM 131 CG1 VAL A 9 3.545 3.976 -10.091 1.00 0.00 C ATOM 132 CG2 VAL A 9 1.367 3.549 -11.238 1.00 0.00 C ATOM 0 H VAL A 9 1.469 6.282 -11.396 1.00 0.00 H new ATOM 0 HA VAL A 9 4.082 5.340 -12.390 1.00 0.00 H new ATOM 0 HB VAL A 9 3.297 3.039 -11.991 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.411 3.052 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.609 4.153 -10.250 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.119 4.807 -9.529 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.262 2.630 -10.661 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.891 4.370 -10.703 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.889 3.424 -12.209 1.00 0.00 H new ATOM 142 N ALA A 10 3.109 4.481 -14.576 1.00 0.00 N ATOM 143 CA ALA A 10 2.579 4.225 -15.910 1.00 0.00 C ATOM 144 C ALA A 10 1.934 2.847 -15.989 1.00 0.00 C ATOM 145 O ALA A 10 2.515 1.908 -16.534 1.00 0.00 O ATOM 146 CB ALA A 10 3.683 4.355 -16.950 1.00 0.00 C ATOM 0 H ALA A 10 4.094 4.243 -14.461 1.00 0.00 H new ATOM 0 HA ALA A 10 1.810 4.969 -16.118 1.00 0.00 H new ATOM 0 HB1 ALA A 10 3.274 4.161 -17.941 1.00 0.00 H new ATOM 0 HB2 ALA A 10 4.096 5.363 -16.918 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.471 3.633 -16.736 1.00 0.00 H new ATOM 152 N ALA A 11 0.728 2.731 -15.443 1.00 0.00 N ATOM 153 CA ALA A 11 -0.023 1.482 -15.505 1.00 0.00 C ATOM 154 C ALA A 11 -1.519 1.732 -15.350 1.00 0.00 C ATOM 155 O ALA A 11 -1.950 2.674 -14.684 1.00 0.00 O ATOM 156 CB ALA A 11 0.467 0.518 -14.433 1.00 0.00 C ATOM 0 H ALA A 11 0.250 3.487 -14.953 1.00 0.00 H new ATOM 0 HA ALA A 11 0.144 1.035 -16.485 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.102 -0.410 -14.491 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.524 0.306 -14.591 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.330 0.967 -13.449 1.00 0.00 H new ATOM 162 N PRO A 12 -2.331 0.871 -15.981 1.00 0.00 N ATOM 163 CA PRO A 12 -3.794 0.968 -15.912 1.00 0.00 C ATOM 164 C PRO A 12 -4.304 1.006 -14.476 1.00 0.00 C ATOM 165 O PRO A 12 -3.740 0.368 -13.588 1.00 0.00 O ATOM 166 CB PRO A 12 -4.282 -0.279 -16.655 1.00 0.00 C ATOM 167 CG PRO A 12 -3.178 -0.602 -17.603 1.00 0.00 C ATOM 168 CD PRO A 12 -1.909 -0.254 -16.872 1.00 0.00 C ATOM 0 HA PRO A 12 -4.165 1.892 -16.355 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -4.469 -1.104 -15.967 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -5.216 -0.087 -17.183 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.195 -1.656 -17.881 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.271 -0.027 -18.525 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.528 -1.100 -16.300 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.118 0.049 -17.558 1.00 0.00 H new ATOM 176 N VAL A 13 -5.377 1.761 -14.255 1.00 0.00 N ATOM 177 CA VAL A 13 -5.878 2.002 -12.906 1.00 0.00 C ATOM 178 C VAL A 13 -6.245 0.695 -12.215 1.00 0.00 C ATOM 179 O VAL A 13 -5.933 0.490 -11.043 1.00 0.00 O ATOM 180 CB VAL A 13 -7.107 2.930 -12.918 1.00 0.00 C ATOM 181 CG1 VAL A 13 -7.722 3.015 -11.528 1.00 0.00 C ATOM 182 CG2 VAL A 13 -6.725 4.316 -13.414 1.00 0.00 C ATOM 0 H VAL A 13 -5.915 2.216 -14.992 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.074 2.488 -12.353 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.847 2.512 -13.600 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.589 3.675 -11.554 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.032 2.021 -11.206 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.986 3.411 -10.828 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.606 4.958 -13.416 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.967 4.742 -12.756 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.327 4.243 -14.426 1.00 0.00 H new ATOM 192 N GLY A 14 -6.912 -0.192 -12.950 1.00 0.00 N ATOM 193 CA GLY A 14 -7.348 -1.452 -12.379 1.00 0.00 C ATOM 194 C GLY A 14 -6.186 -2.342 -11.985 1.00 0.00 C ATOM 195 O GLY A 14 -6.210 -2.979 -10.930 1.00 0.00 O ATOM 0 H GLY A 14 -7.158 -0.059 -13.931 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.965 -1.256 -11.502 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.975 -1.976 -13.100 1.00 0.00 H new ATOM 199 N LYS A 15 -5.165 -2.390 -12.833 1.00 0.00 N ATOM 200 CA LYS A 15 -3.975 -3.185 -12.556 1.00 0.00 C ATOM 201 C LYS A 15 -3.221 -2.633 -11.351 1.00 0.00 C ATOM 202 O LYS A 15 -2.714 -3.391 -10.522 1.00 0.00 O ATOM 203 CB LYS A 15 -3.059 -3.227 -13.780 1.00 0.00 C ATOM 204 CG LYS A 15 -3.600 -4.045 -14.944 1.00 0.00 C ATOM 205 CD LYS A 15 -2.599 -4.109 -16.088 1.00 0.00 C ATOM 206 CE LYS A 15 -3.156 -4.892 -17.268 1.00 0.00 C ATOM 207 NZ LYS A 15 -2.188 -4.961 -18.396 1.00 0.00 N ATOM 0 H LYS A 15 -5.138 -1.887 -13.720 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.295 -4.201 -12.325 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.881 -2.207 -14.121 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.094 -3.636 -13.482 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.833 -5.054 -14.605 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.532 -3.605 -15.298 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.344 -3.099 -16.407 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.677 -4.576 -15.742 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.410 -5.902 -16.946 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.079 -4.425 -17.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.606 -5.503 -19.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.964 -3.999 -18.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.316 -5.430 -18.077 1.00 0.00 H new ATOM 221 N VAL A 16 -3.151 -1.309 -11.256 1.00 0.00 N ATOM 222 CA VAL A 16 -2.474 -0.656 -10.143 1.00 0.00 C ATOM 223 C VAL A 16 -3.249 -0.839 -8.843 1.00 0.00 C ATOM 224 O VAL A 16 -2.666 -1.107 -7.793 1.00 0.00 O ATOM 225 CB VAL A 16 -2.278 0.850 -10.405 1.00 0.00 C ATOM 226 CG1 VAL A 16 -1.744 1.543 -9.160 1.00 0.00 C ATOM 227 CG2 VAL A 16 -1.336 1.068 -11.579 1.00 0.00 C ATOM 0 H VAL A 16 -3.556 -0.667 -11.938 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.496 -1.129 -10.049 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.246 1.285 -10.653 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.612 2.606 -9.364 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.452 1.416 -8.341 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.785 1.105 -8.883 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.209 2.137 -11.750 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.368 0.618 -11.357 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.755 0.605 -12.472 1.00 0.00 H new ATOM 237 N TRP A 17 -4.567 -0.694 -8.922 1.00 0.00 N ATOM 238 CA TRP A 17 -5.428 -0.888 -7.760 1.00 0.00 C ATOM 239 C TRP A 17 -5.290 -2.303 -7.212 1.00 0.00 C ATOM 240 O TRP A 17 -5.168 -2.501 -6.003 1.00 0.00 O ATOM 241 CB TRP A 17 -6.886 -0.610 -8.129 1.00 0.00 C ATOM 242 CG TRP A 17 -7.825 -0.725 -6.966 1.00 0.00 C ATOM 243 CD1 TRP A 17 -8.175 0.266 -6.095 1.00 0.00 C ATOM 244 CD2 TRP A 17 -8.530 -1.899 -6.547 1.00 0.00 C ATOM 245 NE1 TRP A 17 -9.057 -0.221 -5.160 1.00 0.00 N ATOM 246 CE2 TRP A 17 -9.291 -1.545 -5.415 1.00 0.00 C ATOM 247 CE3 TRP A 17 -8.595 -3.212 -7.019 1.00 0.00 C ATOM 248 CZ2 TRP A 17 -10.103 -2.459 -4.750 1.00 0.00 C ATOM 249 CZ3 TRP A 17 -9.400 -4.118 -6.356 1.00 0.00 C ATOM 250 CH2 TRP A 17 -10.148 -3.739 -5.233 1.00 0.00 C ATOM 0 H TRP A 17 -5.063 -0.443 -9.777 1.00 0.00 H new ATOM 0 HA TRP A 17 -5.117 -0.187 -6.986 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -6.962 0.392 -8.550 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.196 -1.307 -8.907 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -7.812 1.283 -6.135 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.470 0.318 -4.399 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -8.026 -3.513 -7.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -10.678 -2.168 -3.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -9.454 -5.137 -6.710 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -10.771 -4.470 -4.740 1.00 0.00 H new ATOM 261 N ARG A 18 -5.310 -3.285 -8.106 1.00 0.00 N ATOM 262 CA ARG A 18 -5.154 -4.681 -7.714 1.00 0.00 C ATOM 263 C ARG A 18 -3.748 -4.943 -7.185 1.00 0.00 C ATOM 264 O ARG A 18 -3.565 -5.682 -6.218 1.00 0.00 O ATOM 265 CB ARG A 18 -5.517 -5.639 -8.839 1.00 0.00 C ATOM 266 CG ARG A 18 -7.004 -5.732 -9.146 1.00 0.00 C ATOM 267 CD ARG A 18 -7.342 -6.652 -10.261 1.00 0.00 C ATOM 268 NE ARG A 18 -8.764 -6.749 -10.552 1.00 0.00 N ATOM 269 CZ ARG A 18 -9.295 -7.519 -11.521 1.00 0.00 C ATOM 270 NH1 ARG A 18 -8.529 -8.229 -12.318 1.00 0.00 N ATOM 271 NH2 ARG A 18 -10.609 -7.522 -11.666 1.00 0.00 N ATOM 0 H ARG A 18 -5.433 -3.140 -9.108 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.859 -4.872 -6.905 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.993 -5.330 -9.743 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.151 -6.633 -8.582 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.528 -6.060 -8.248 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.376 -4.736 -9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.822 -6.320 -11.160 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.964 -7.646 -10.023 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.404 -6.195 -9.982 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.515 -8.202 -12.208 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.948 -8.807 -13.047 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.191 -6.951 -11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.041 -8.095 -12.391 1.00 0.00 H new ATOM 285 N ALA A 19 -2.756 -4.332 -7.826 1.00 0.00 N ATOM 286 CA ALA A 19 -1.362 -4.536 -7.450 1.00 0.00 C ATOM 287 C ALA A 19 -1.071 -3.938 -6.078 1.00 0.00 C ATOM 288 O ALA A 19 -0.229 -4.442 -5.336 1.00 0.00 O ATOM 289 CB ALA A 19 -0.440 -3.933 -8.496 1.00 0.00 C ATOM 0 H ALA A 19 -2.892 -3.692 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.179 -5.609 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.597 -4.093 -8.202 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.622 -4.409 -9.459 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.633 -2.863 -8.578 1.00 0.00 H new ATOM 295 N TYR A 20 -1.775 -2.860 -5.746 1.00 0.00 N ATOM 296 CA TYR A 20 -1.560 -2.166 -4.483 1.00 0.00 C ATOM 297 C TYR A 20 -1.720 -3.120 -3.303 1.00 0.00 C ATOM 298 O TYR A 20 -1.141 -2.912 -2.236 1.00 0.00 O ATOM 299 CB TYR A 20 -2.528 -0.989 -4.345 1.00 0.00 C ATOM 300 CG TYR A 20 -2.325 -0.170 -3.090 1.00 0.00 C ATOM 301 CD1 TYR A 20 -1.247 0.695 -2.970 1.00 0.00 C ATOM 302 CD2 TYR A 20 -3.211 -0.265 -2.027 1.00 0.00 C ATOM 303 CE1 TYR A 20 -1.056 1.444 -1.825 1.00 0.00 C ATOM 304 CE2 TYR A 20 -3.031 0.480 -0.878 1.00 0.00 C ATOM 305 CZ TYR A 20 -1.951 1.334 -0.781 1.00 0.00 C ATOM 306 OH TYR A 20 -1.767 2.079 0.362 1.00 0.00 O ATOM 0 H TYR A 20 -2.499 -2.449 -6.335 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.540 -1.783 -4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.419 -0.338 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.550 -1.369 -4.358 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.545 0.784 -3.786 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.056 -0.933 -2.099 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.211 2.112 -1.748 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.731 0.395 -0.060 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.961 2.629 0.268 1.00 0.00 H new ATOM 316 N THR A 21 -2.511 -4.169 -3.503 1.00 0.00 N ATOM 317 CA THR A 21 -2.788 -5.132 -2.443 1.00 0.00 C ATOM 318 C THR A 21 -2.625 -6.562 -2.944 1.00 0.00 C ATOM 319 O THR A 21 -3.380 -7.456 -2.556 1.00 0.00 O ATOM 320 CB THR A 21 -4.209 -4.955 -1.876 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.167 -5.064 -2.938 1.00 0.00 O ATOM 322 CG2 THR A 21 -4.352 -3.595 -1.208 1.00 0.00 C ATOM 0 H THR A 21 -2.972 -4.374 -4.390 1.00 0.00 H new ATOM 0 HA THR A 21 -2.065 -4.943 -1.649 1.00 0.00 H new ATOM 0 HB THR A 21 -4.387 -5.733 -1.134 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.051 -4.797 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.362 -3.488 -0.813 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.633 -3.513 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.163 -2.809 -1.939 1.00 0.00 H new ATOM 330 N THR A 22 -1.637 -6.775 -3.806 1.00 0.00 N ATOM 331 CA THR A 22 -1.235 -8.121 -4.193 1.00 0.00 C ATOM 332 C THR A 22 0.032 -8.550 -3.462 1.00 0.00 C ATOM 333 O THR A 22 1.083 -7.918 -3.569 1.00 0.00 O ATOM 334 CB THR A 22 -1.002 -8.226 -5.712 1.00 0.00 C ATOM 335 OG1 THR A 22 -2.221 -7.936 -6.406 1.00 0.00 O ATOM 336 CG2 THR A 22 -0.531 -9.623 -6.083 1.00 0.00 C ATOM 0 H THR A 22 -1.099 -6.031 -4.250 1.00 0.00 H new ATOM 0 HA THR A 22 -2.053 -8.786 -3.914 1.00 0.00 H new ATOM 0 HB THR A 22 -0.234 -7.507 -5.998 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.458 -6.995 -6.271 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.371 -9.679 -7.160 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.403 -9.841 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.287 -10.352 -5.790 1.00 0.00 H new ATOM 344 N PRO A 23 -0.066 -9.649 -2.700 1.00 0.00 N ATOM 345 CA PRO A 23 1.052 -10.164 -1.905 1.00 0.00 C ATOM 346 C PRO A 23 2.323 -10.329 -2.733 1.00 0.00 C ATOM 347 O PRO A 23 3.415 -9.974 -2.288 1.00 0.00 O ATOM 348 CB PRO A 23 0.541 -11.506 -1.374 1.00 0.00 C ATOM 349 CG PRO A 23 -0.935 -11.325 -1.265 1.00 0.00 C ATOM 350 CD PRO A 23 -1.318 -10.461 -2.436 1.00 0.00 C ATOM 0 HA PRO A 23 1.337 -9.479 -1.106 1.00 0.00 H new ATOM 0 HB2 PRO A 23 0.792 -12.323 -2.051 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.984 -11.745 -0.407 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -1.452 -12.284 -1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.204 -10.850 -0.321 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.598 -11.060 -3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.169 -9.822 -2.202 1.00 0.00 H new ATOM 358 N GLU A 24 2.172 -10.869 -3.938 1.00 0.00 N ATOM 359 CA GLU A 24 3.314 -11.117 -4.810 1.00 0.00 C ATOM 360 C GLU A 24 3.996 -9.810 -5.199 1.00 0.00 C ATOM 361 O GLU A 24 5.214 -9.761 -5.374 1.00 0.00 O ATOM 362 CB GLU A 24 2.877 -11.878 -6.064 1.00 0.00 C ATOM 363 CG GLU A 24 2.444 -13.316 -5.808 1.00 0.00 C ATOM 364 CD GLU A 24 3.543 -14.108 -5.155 1.00 0.00 C ATOM 365 OE1 GLU A 24 4.637 -14.103 -5.665 1.00 0.00 O ATOM 366 OE2 GLU A 24 3.318 -14.628 -4.087 1.00 0.00 O ATOM 0 H GLU A 24 1.272 -11.143 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 24 4.030 -11.728 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.052 -11.341 -6.531 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.701 -11.881 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.559 -13.324 -5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.163 -13.787 -6.750 1.00 0.00 H new ATOM 373 N ASP A 25 3.204 -8.752 -5.333 1.00 0.00 N ATOM 374 CA ASP A 25 3.739 -7.426 -5.614 1.00 0.00 C ATOM 375 C ASP A 25 4.325 -6.797 -4.353 1.00 0.00 C ATOM 376 O ASP A 25 5.408 -6.213 -4.384 1.00 0.00 O ATOM 377 CB ASP A 25 2.653 -6.521 -6.199 1.00 0.00 C ATOM 378 CG ASP A 25 2.151 -6.949 -7.572 1.00 0.00 C ATOM 379 OD1 ASP A 25 2.783 -7.778 -8.182 1.00 0.00 O ATOM 380 OD2 ASP A 25 1.064 -6.564 -7.932 1.00 0.00 O ATOM 0 H ASP A 25 2.188 -8.788 -5.251 1.00 0.00 H new ATOM 0 HA ASP A 25 4.538 -7.534 -6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 25 1.809 -6.493 -5.509 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.042 -5.505 -6.268 1.00 0.00 H new ATOM 385 N ILE A 26 3.599 -6.920 -3.245 1.00 0.00 N ATOM 386 CA ILE A 26 3.983 -6.257 -2.006 1.00 0.00 C ATOM 387 C ILE A 26 5.357 -6.721 -1.536 1.00 0.00 C ATOM 388 O ILE A 26 6.163 -5.924 -1.055 1.00 0.00 O ATOM 389 CB ILE A 26 2.955 -6.511 -0.888 1.00 0.00 C ATOM 390 CG1 ILE A 26 1.637 -5.799 -1.203 1.00 0.00 C ATOM 391 CG2 ILE A 26 3.503 -6.052 0.454 1.00 0.00 C ATOM 392 CD1 ILE A 26 0.485 -6.226 -0.322 1.00 0.00 C ATOM 0 H ILE A 26 2.744 -7.472 -3.182 1.00 0.00 H new ATOM 0 HA ILE A 26 4.018 -5.188 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 26 2.763 -7.582 -0.831 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.782 -4.724 -1.099 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.374 -5.986 -2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.763 -6.239 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.416 -6.602 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.723 -4.985 0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.413 -5.678 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.311 -7.295 -0.443 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.725 -6.013 0.720 1.00 0.00 H new ATOM 604 N ALA A 40 6.003 -12.917 3.626 1.00 0.00 N ATOM 605 CA ALA A 40 4.868 -13.566 2.982 1.00 0.00 C ATOM 606 C ALA A 40 3.553 -12.933 3.418 1.00 0.00 C ATOM 607 O ALA A 40 3.379 -12.581 4.584 1.00 0.00 O ATOM 608 CB ALA A 40 4.868 -15.057 3.292 1.00 0.00 C ATOM 0 HA ALA A 40 4.966 -13.429 1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.015 -15.530 2.805 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.791 -15.505 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.798 -15.205 4.370 1.00 0.00 H new ATOM 614 N ALA A 41 2.628 -12.790 2.475 1.00 0.00 N ATOM 615 CA ALA A 41 1.396 -12.051 2.717 1.00 0.00 C ATOM 616 C ALA A 41 0.195 -12.768 2.112 1.00 0.00 C ATOM 617 O ALA A 41 0.317 -13.463 1.101 1.00 0.00 O ATOM 618 CB ALA A 41 1.508 -10.642 2.156 1.00 0.00 C ATOM 0 H ALA A 41 2.709 -13.177 1.535 1.00 0.00 H new ATOM 0 HA ALA A 41 1.244 -11.992 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.581 -10.101 2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.335 -10.123 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.688 -10.691 1.082 1.00 0.00 H new ATOM 624 N THR A 42 -0.967 -12.599 2.736 1.00 0.00 N ATOM 625 CA THR A 42 -2.221 -13.059 2.153 1.00 0.00 C ATOM 626 C THR A 42 -3.287 -11.970 2.210 1.00 0.00 C ATOM 627 O THR A 42 -3.516 -11.366 3.257 1.00 0.00 O ATOM 628 CB THR A 42 -2.748 -14.317 2.868 1.00 0.00 C ATOM 629 OG1 THR A 42 -1.778 -15.367 2.768 1.00 0.00 O ATOM 630 CG2 THR A 42 -4.055 -14.777 2.242 1.00 0.00 C ATOM 0 H THR A 42 -1.065 -12.147 3.645 1.00 0.00 H new ATOM 0 HA THR A 42 -2.012 -13.305 1.112 1.00 0.00 H new ATOM 0 HB THR A 42 -2.925 -14.075 3.916 1.00 0.00 H new ATOM 0 HG1 THR A 42 -2.113 -16.167 3.225 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.413 -15.667 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.798 -13.984 2.327 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.892 -15.010 1.190 1.00 0.00 H new ATOM 638 N VAL A 43 -3.935 -11.722 1.076 1.00 0.00 N ATOM 639 CA VAL A 43 -4.925 -10.656 0.978 1.00 0.00 C ATOM 640 C VAL A 43 -6.235 -11.176 0.397 1.00 0.00 C ATOM 641 O VAL A 43 -6.249 -11.824 -0.650 1.00 0.00 O ATOM 642 CB VAL A 43 -4.415 -9.489 0.112 1.00 0.00 C ATOM 643 CG1 VAL A 43 -5.487 -8.418 -0.021 1.00 0.00 C ATOM 644 CG2 VAL A 43 -3.146 -8.899 0.706 1.00 0.00 C ATOM 0 H VAL A 43 -3.792 -12.245 0.212 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.099 -10.293 1.991 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.184 -9.873 -0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.110 -7.601 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.373 -8.846 -0.490 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -5.747 -8.039 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.800 -8.076 0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.352 -8.530 1.711 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.375 -9.668 0.753 1.00 0.00 H new ATOM 654 N ASP A 44 -7.335 -10.887 1.083 1.00 0.00 N ATOM 655 CA ASP A 44 -8.665 -11.122 0.530 1.00 0.00 C ATOM 656 C ASP A 44 -9.232 -9.845 -0.080 1.00 0.00 C ATOM 657 O ASP A 44 -9.571 -8.900 0.635 1.00 0.00 O ATOM 658 CB ASP A 44 -9.609 -11.657 1.609 1.00 0.00 C ATOM 659 CG ASP A 44 -11.004 -12.005 1.108 1.00 0.00 C ATOM 660 OD1 ASP A 44 -11.268 -11.792 -0.052 1.00 0.00 O ATOM 661 OD2 ASP A 44 -11.740 -12.623 1.840 1.00 0.00 O ATOM 0 H ASP A 44 -7.333 -10.490 2.022 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.576 -11.870 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.164 -12.546 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.696 -10.913 2.400 1.00 0.00 H new ATOM 666 N LEU A 45 -9.334 -9.823 -1.404 1.00 0.00 N ATOM 667 CA LEU A 45 -9.688 -8.605 -2.124 1.00 0.00 C ATOM 668 C LEU A 45 -11.200 -8.406 -2.148 1.00 0.00 C ATOM 669 O LEU A 45 -11.879 -8.845 -3.078 1.00 0.00 O ATOM 670 CB LEU A 45 -9.129 -8.649 -3.552 1.00 0.00 C ATOM 671 CG LEU A 45 -7.599 -8.659 -3.655 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.174 -8.761 -5.114 1.00 0.00 C ATOM 673 CD2 LEU A 45 -7.038 -7.397 -3.017 1.00 0.00 C ATOM 0 H LEU A 45 -9.177 -10.635 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.244 -7.758 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.516 -9.538 -4.049 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.508 -7.787 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.205 -9.525 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.086 -8.767 -5.176 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.567 -9.682 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.564 -7.907 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.951 -7.405 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.431 -6.522 -3.535 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.330 -7.359 -1.968 1.00 0.00 H new ATOM 685 N ARG A 46 -11.721 -7.741 -1.122 1.00 0.00 N ATOM 686 CA ARG A 46 -13.142 -7.423 -1.061 1.00 0.00 C ATOM 687 C ARG A 46 -13.418 -6.371 0.009 1.00 0.00 C ATOM 688 O ARG A 46 -12.614 -6.171 0.918 1.00 0.00 O ATOM 689 CB ARG A 46 -14.002 -8.662 -0.862 1.00 0.00 C ATOM 690 CG ARG A 46 -13.800 -9.374 0.467 1.00 0.00 C ATOM 691 CD ARG A 46 -14.596 -10.618 0.622 1.00 0.00 C ATOM 692 NE ARG A 46 -14.258 -11.408 1.796 1.00 0.00 N ATOM 693 CZ ARG A 46 -14.798 -11.232 3.017 1.00 0.00 C ATOM 694 NH1 ARG A 46 -15.672 -10.275 3.240 1.00 0.00 N ATOM 695 NH2 ARG A 46 -14.408 -12.032 3.993 1.00 0.00 N ATOM 0 H ARG A 46 -11.180 -7.412 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.422 -7.003 -2.027 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -15.050 -8.377 -0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.794 -9.364 -1.669 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -12.743 -9.617 0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.057 -8.689 1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.653 -10.355 0.669 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.460 -11.234 -0.267 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.563 -12.147 1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.951 -9.652 2.482 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.071 -10.156 4.171 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.716 -12.759 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.799 -11.923 4.929 1.00 0.00 H new ATOM 709 N GLU A 47 -14.559 -5.699 -0.110 1.00 0.00 N ATOM 710 CA GLU A 47 -15.036 -4.812 0.946 1.00 0.00 C ATOM 711 C GLU A 47 -15.311 -5.591 2.229 1.00 0.00 C ATOM 712 O GLU A 47 -16.111 -6.525 2.241 1.00 0.00 O ATOM 713 CB GLU A 47 -16.297 -4.071 0.496 1.00 0.00 C ATOM 714 CG GLU A 47 -16.880 -3.130 1.541 1.00 0.00 C ATOM 715 CD GLU A 47 -18.047 -2.358 0.991 1.00 0.00 C ATOM 716 OE1 GLU A 47 -19.006 -2.973 0.592 1.00 0.00 O ATOM 717 OE2 GLU A 47 -18.028 -1.153 1.072 1.00 0.00 O ATOM 0 H GLU A 47 -15.170 -5.751 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 47 -14.254 -4.080 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -16.066 -3.499 -0.402 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -17.056 -4.804 0.221 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -17.198 -3.703 2.412 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.110 -2.437 1.879 1.00 0.00 H new ATOM 724 N GLY A 48 -14.642 -5.198 3.309 1.00 0.00 N ATOM 725 CA GLY A 48 -14.744 -5.936 4.554 1.00 0.00 C ATOM 726 C GLY A 48 -13.745 -7.071 4.640 1.00 0.00 C ATOM 727 O GLY A 48 -13.619 -7.722 5.676 1.00 0.00 O ATOM 0 H GLY A 48 -14.031 -4.382 3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.587 -5.255 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.753 -6.336 4.654 1.00 0.00 H new ATOM 731 N GLY A 49 -13.031 -7.314 3.543 1.00 0.00 N ATOM 732 CA GLY A 49 -12.101 -8.427 3.494 1.00 0.00 C ATOM 733 C GLY A 49 -10.879 -8.203 4.362 1.00 0.00 C ATOM 734 O GLY A 49 -10.485 -7.063 4.606 1.00 0.00 O ATOM 0 H GLY A 49 -13.081 -6.760 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.610 -9.335 3.816 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.786 -8.587 2.463 1.00 0.00 H new ATOM 738 N ALA A 50 -10.280 -9.293 4.830 1.00 0.00 N ATOM 739 CA ALA A 50 -9.123 -9.208 5.713 1.00 0.00 C ATOM 740 C ALA A 50 -7.826 -9.420 4.942 1.00 0.00 C ATOM 741 O ALA A 50 -7.808 -10.090 3.910 1.00 0.00 O ATOM 742 CB ALA A 50 -9.243 -10.225 6.837 1.00 0.00 C ATOM 0 H ALA A 50 -10.576 -10.244 4.613 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.098 -8.207 6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.373 -10.151 7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -10.146 -10.025 7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.296 -11.229 6.415 1.00 0.00 H new ATOM 748 N PHE A 51 -6.740 -8.842 5.448 1.00 0.00 N ATOM 749 CA PHE A 51 -5.415 -9.083 4.889 1.00 0.00 C ATOM 750 C PHE A 51 -4.368 -9.182 5.995 1.00 0.00 C ATOM 751 O PHE A 51 -4.548 -8.638 7.084 1.00 0.00 O ATOM 752 CB PHE A 51 -5.041 -7.974 3.903 1.00 0.00 C ATOM 753 CG PHE A 51 -5.039 -6.600 4.509 1.00 0.00 C ATOM 754 CD1 PHE A 51 -6.188 -5.824 4.508 1.00 0.00 C ATOM 755 CD2 PHE A 51 -3.888 -6.081 5.082 1.00 0.00 C ATOM 756 CE1 PHE A 51 -6.187 -4.559 5.063 1.00 0.00 C ATOM 757 CE2 PHE A 51 -3.885 -4.817 5.640 1.00 0.00 C ATOM 758 CZ PHE A 51 -5.034 -4.055 5.630 1.00 0.00 C ATOM 0 H PHE A 51 -6.752 -8.204 6.244 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.440 -10.033 4.355 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.052 -8.182 3.494 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.741 -7.992 3.068 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -7.094 -6.213 4.068 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.984 -6.671 5.092 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.088 -3.964 5.053 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.982 -4.426 6.084 1.00 0.00 H new ATOM 0 HZ PHE A 51 -5.032 -3.066 6.065 1.00 0.00 H new ATOM 768 N SER A 52 -3.276 -9.881 5.706 1.00 0.00 N ATOM 769 CA SER A 52 -2.219 -10.089 6.689 1.00 0.00 C ATOM 770 C SER A 52 -0.865 -10.247 6.005 1.00 0.00 C ATOM 771 O SER A 52 -0.764 -10.849 4.936 1.00 0.00 O ATOM 772 CB SER A 52 -2.527 -11.305 7.541 1.00 0.00 C ATOM 773 OG SER A 52 -1.516 -11.563 8.476 1.00 0.00 O ATOM 0 H SER A 52 -3.100 -10.313 4.799 1.00 0.00 H new ATOM 0 HA SER A 52 -2.173 -9.211 7.334 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.472 -11.152 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.655 -12.175 6.897 1.00 0.00 H new ATOM 0 HG SER A 52 -1.132 -10.716 8.785 1.00 0.00 H new ATOM 779 N SER A 53 0.175 -9.701 6.629 1.00 0.00 N ATOM 780 CA SER A 53 1.535 -9.852 6.125 1.00 0.00 C ATOM 781 C SER A 53 2.495 -10.210 7.253 1.00 0.00 C ATOM 782 O SER A 53 2.579 -9.509 8.261 1.00 0.00 O ATOM 783 CB SER A 53 1.981 -8.578 5.433 1.00 0.00 C ATOM 784 OG SER A 53 3.294 -8.672 4.953 1.00 0.00 O ATOM 0 H SER A 53 0.101 -9.150 7.484 1.00 0.00 H new ATOM 0 HA SER A 53 1.545 -10.667 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.307 -8.361 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.909 -7.743 6.130 1.00 0.00 H new ATOM 0 HG SER A 53 3.542 -7.832 4.513 1.00 0.00 H new ATOM 790 N ARG A 54 3.221 -11.311 7.077 1.00 0.00 N ATOM 791 CA ARG A 54 4.182 -11.761 8.077 1.00 0.00 C ATOM 792 C ARG A 54 5.612 -11.516 7.606 1.00 0.00 C ATOM 793 O ARG A 54 5.985 -11.898 6.497 1.00 0.00 O ATOM 794 CB ARG A 54 3.962 -13.215 8.470 1.00 0.00 C ATOM 795 CG ARG A 54 4.932 -13.749 9.512 1.00 0.00 C ATOM 796 CD ARG A 54 4.676 -15.153 9.925 1.00 0.00 C ATOM 797 NE ARG A 54 5.638 -15.685 10.877 1.00 0.00 N ATOM 798 CZ ARG A 54 5.617 -16.942 11.362 1.00 0.00 C ATOM 799 NH1 ARG A 54 4.669 -17.785 11.019 1.00 0.00 N ATOM 800 NH2 ARG A 54 6.565 -17.298 12.213 1.00 0.00 N ATOM 0 H ARG A 54 3.161 -11.907 6.251 1.00 0.00 H new ATOM 0 HA ARG A 54 4.019 -11.167 8.976 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.946 -13.324 8.850 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.035 -13.833 7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.946 -13.678 9.118 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.888 -13.110 10.394 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.679 -15.214 10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.674 -15.785 9.037 1.00 0.00 H new ATOM 0 HE ARG A 54 6.380 -15.064 11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.934 -17.491 10.376 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.669 -18.733 11.396 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.285 -16.628 12.484 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.576 -18.243 12.598 1.00 0.00 H new ATOM 964 N PHE A 66 1.601 -8.643 10.816 1.00 0.00 N ATOM 965 CA PHE A 66 0.748 -7.482 10.587 1.00 0.00 C ATOM 966 C PHE A 66 -0.585 -7.899 9.973 1.00 0.00 C ATOM 967 O PHE A 66 -0.632 -8.743 9.080 1.00 0.00 O ATOM 968 CB PHE A 66 1.454 -6.470 9.682 1.00 0.00 C ATOM 969 CG PHE A 66 2.585 -5.744 10.353 1.00 0.00 C ATOM 970 CD1 PHE A 66 2.730 -5.777 11.731 1.00 0.00 C ATOM 971 CD2 PHE A 66 3.507 -5.025 9.606 1.00 0.00 C ATOM 972 CE1 PHE A 66 3.771 -5.110 12.349 1.00 0.00 C ATOM 973 CE2 PHE A 66 4.548 -4.358 10.221 1.00 0.00 C ATOM 974 CZ PHE A 66 4.680 -4.400 11.594 1.00 0.00 C ATOM 0 HA PHE A 66 0.550 -7.012 11.550 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.838 -6.988 8.803 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.725 -5.741 9.329 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.021 -6.330 12.329 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.409 -4.987 8.531 1.00 0.00 H new ATOM 0 HE1 PHE A 66 3.872 -5.145 13.424 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.259 -3.803 9.627 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.493 -3.878 12.076 1.00 0.00 H new ATOM 984 N ALA A 67 -1.668 -7.300 10.461 1.00 0.00 N ATOM 985 CA ALA A 67 -3.005 -7.649 10.002 1.00 0.00 C ATOM 986 C ALA A 67 -3.892 -6.412 9.905 1.00 0.00 C ATOM 987 O ALA A 67 -3.735 -5.463 10.670 1.00 0.00 O ATOM 988 CB ALA A 67 -3.631 -8.678 10.932 1.00 0.00 C ATOM 0 H ALA A 67 -1.644 -6.571 11.174 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.919 -8.082 9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.630 -8.929 10.577 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.015 -9.577 10.948 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.697 -8.266 11.939 1.00 0.00 H new ATOM 994 N GLY A 68 -4.827 -6.432 8.957 1.00 0.00 N ATOM 995 CA GLY A 68 -5.759 -5.329 8.813 1.00 0.00 C ATOM 996 C GLY A 68 -7.021 -5.731 8.076 1.00 0.00 C ATOM 997 O GLY A 68 -7.115 -6.840 7.548 1.00 0.00 O ATOM 0 H GLY A 68 -4.954 -7.191 8.288 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.023 -4.949 9.800 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.273 -4.514 8.277 1.00 0.00 H new ATOM 1001 N THR A 69 -7.996 -4.829 8.040 1.00 0.00 N ATOM 1002 CA THR A 69 -9.268 -5.104 7.383 1.00 0.00 C ATOM 1003 C THR A 69 -9.649 -3.977 6.430 1.00 0.00 C ATOM 1004 O THR A 69 -9.335 -2.812 6.674 1.00 0.00 O ATOM 1005 CB THR A 69 -10.401 -5.304 8.406 1.00 0.00 C ATOM 1006 OG1 THR A 69 -10.555 -4.114 9.192 1.00 0.00 O ATOM 1007 CG2 THR A 69 -10.091 -6.477 9.323 1.00 0.00 C ATOM 0 H THR A 69 -7.929 -3.901 8.458 1.00 0.00 H new ATOM 0 HA THR A 69 -9.137 -6.026 6.817 1.00 0.00 H new ATOM 0 HB THR A 69 -11.325 -5.513 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 69 -11.278 -4.242 9.841 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.903 -6.603 10.039 1.00 0.00 H new ATOM 0 HG22 THR A 69 -9.986 -7.385 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.161 -6.284 9.858 1.00 0.00 H new ATOM 1015 N TYR A 70 -10.329 -4.331 5.345 1.00 0.00 N ATOM 1016 CA TYR A 70 -10.835 -3.339 4.402 1.00 0.00 C ATOM 1017 C TYR A 70 -12.181 -2.787 4.863 1.00 0.00 C ATOM 1018 O TYR A 70 -12.960 -3.482 5.517 1.00 0.00 O ATOM 1019 CB TYR A 70 -10.973 -3.954 3.008 1.00 0.00 C ATOM 1020 CG TYR A 70 -9.653 -4.364 2.395 1.00 0.00 C ATOM 1021 CD1 TYR A 70 -8.663 -3.425 2.138 1.00 0.00 C ATOM 1022 CD2 TYR A 70 -9.399 -5.691 2.073 1.00 0.00 C ATOM 1023 CE1 TYR A 70 -7.456 -3.795 1.576 1.00 0.00 C ATOM 1024 CE2 TYR A 70 -8.194 -6.071 1.511 1.00 0.00 C ATOM 1025 CZ TYR A 70 -7.226 -5.120 1.264 1.00 0.00 C ATOM 1026 OH TYR A 70 -6.024 -5.493 0.706 1.00 0.00 O ATOM 0 H TYR A 70 -10.543 -5.297 5.096 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.121 -2.517 4.360 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -11.623 -4.827 3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -11.463 -3.236 2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.839 -2.388 2.381 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -10.155 -6.438 2.265 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.697 -3.052 1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.012 -7.107 1.267 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.444 -5.869 1.400 1.00 0.00 H new ATOM 1036 N THR A 71 -12.448 -1.532 4.517 1.00 0.00 N ATOM 1037 CA THR A 71 -13.683 -0.874 4.920 1.00 0.00 C ATOM 1038 C THR A 71 -14.588 -0.616 3.720 1.00 0.00 C ATOM 1039 O THR A 71 -15.812 -0.683 3.826 1.00 0.00 O ATOM 1040 CB THR A 71 -13.405 0.459 5.638 1.00 0.00 C ATOM 1041 OG1 THR A 71 -12.789 1.376 4.725 1.00 0.00 O ATOM 1042 CG2 THR A 71 -12.485 0.241 6.830 1.00 0.00 C ATOM 0 H THR A 71 -11.824 -0.951 3.958 1.00 0.00 H new ATOM 0 HA THR A 71 -14.187 -1.549 5.611 1.00 0.00 H new ATOM 0 HB THR A 71 -14.351 0.868 5.993 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.867 2.288 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.299 1.194 7.325 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.956 -0.447 7.532 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.540 -0.180 6.488 1.00 0.00 H new ATOM 1050 N LYS A 72 -13.977 -0.322 2.578 1.00 0.00 N ATOM 1051 CA LYS A 72 -14.717 0.140 1.410 1.00 0.00 C ATOM 1052 C LYS A 72 -13.880 -0.005 0.143 1.00 0.00 C ATOM 1053 O LYS A 72 -12.677 0.259 0.148 1.00 0.00 O ATOM 1054 CB LYS A 72 -15.155 1.593 1.592 1.00 0.00 C ATOM 1055 CG LYS A 72 -16.137 2.091 0.539 1.00 0.00 C ATOM 1056 CD LYS A 72 -16.590 3.514 0.832 1.00 0.00 C ATOM 1057 CE LYS A 72 -17.704 3.946 -0.108 1.00 0.00 C ATOM 1058 NZ LYS A 72 -18.153 5.339 0.163 1.00 0.00 N ATOM 0 H LYS A 72 -12.970 -0.396 2.436 1.00 0.00 H new ATOM 0 HA LYS A 72 -15.606 -0.482 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.610 1.702 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.271 2.231 1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.669 2.052 -0.445 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -17.004 1.431 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.935 3.582 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -15.744 4.194 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.358 3.871 -1.139 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -18.550 3.266 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -18.913 5.594 -0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -18.507 5.406 1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.353 5.992 0.040 1.00 0.00 H new ATOM 1072 N VAL A 73 -14.525 -0.424 -0.942 1.00 0.00 N ATOM 1073 CA VAL A 73 -13.886 -0.439 -2.253 1.00 0.00 C ATOM 1074 C VAL A 73 -14.820 0.111 -3.325 1.00 0.00 C ATOM 1075 O VAL A 73 -15.994 -0.256 -3.387 1.00 0.00 O ATOM 1076 CB VAL A 73 -13.441 -1.859 -2.650 1.00 0.00 C ATOM 1077 CG1 VAL A 73 -12.715 -2.532 -1.496 1.00 0.00 C ATOM 1078 CG2 VAL A 73 -14.640 -2.691 -3.083 1.00 0.00 C ATOM 0 H VAL A 73 -15.489 -0.757 -0.939 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.005 0.198 -2.181 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.753 -1.782 -3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -12.408 -3.534 -1.794 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.835 -1.947 -1.229 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.381 -2.598 -0.636 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.308 -3.691 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -15.351 -2.760 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -15.121 -2.218 -3.939 1.00 0.00 H new ATOM 1088 N VAL A 74 -14.291 0.990 -4.169 1.00 0.00 N ATOM 1089 CA VAL A 74 -15.105 1.682 -5.162 1.00 0.00 C ATOM 1090 C VAL A 74 -14.473 1.595 -6.546 1.00 0.00 C ATOM 1091 O VAL A 74 -13.316 1.973 -6.736 1.00 0.00 O ATOM 1092 CB VAL A 74 -15.309 3.163 -4.792 1.00 0.00 C ATOM 1093 CG1 VAL A 74 -16.146 3.866 -5.851 1.00 0.00 C ATOM 1094 CG2 VAL A 74 -15.968 3.286 -3.426 1.00 0.00 C ATOM 0 H VAL A 74 -13.302 1.240 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 74 -16.075 1.185 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 74 -14.332 3.644 -4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.280 4.912 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -15.638 3.808 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -17.120 3.382 -5.925 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.104 4.339 -3.181 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -16.938 2.789 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -15.334 2.818 -2.673 1.00 0.00 H new ATOM 1104 N GLU A 75 -15.240 1.097 -7.512 1.00 0.00 N ATOM 1105 CA GLU A 75 -14.868 1.211 -8.917 1.00 0.00 C ATOM 1106 C GLU A 75 -13.409 0.817 -9.127 1.00 0.00 C ATOM 1107 O GLU A 75 -12.718 1.388 -9.970 1.00 0.00 O ATOM 1108 CB GLU A 75 -15.111 2.634 -9.423 1.00 0.00 C ATOM 1109 CG GLU A 75 -16.572 3.059 -9.427 1.00 0.00 C ATOM 1110 CD GLU A 75 -16.730 4.469 -9.923 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -15.735 5.098 -10.196 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -17.845 4.882 -10.137 1.00 0.00 O ATOM 0 H GLU A 75 -16.122 0.611 -7.347 1.00 0.00 H new ATOM 0 HA GLU A 75 -15.494 0.526 -9.489 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -14.545 3.329 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -14.718 2.718 -10.436 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -17.148 2.383 -10.059 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -16.979 2.978 -8.419 1.00 0.00 H new ATOM 1119 N ASN A 76 -12.949 -0.161 -8.355 1.00 0.00 N ATOM 1120 CA ASN A 76 -11.553 -0.582 -8.405 1.00 0.00 C ATOM 1121 C ASN A 76 -10.626 0.623 -8.535 1.00 0.00 C ATOM 1122 O ASN A 76 -9.674 0.606 -9.313 1.00 0.00 O ATOM 1123 CB ASN A 76 -11.306 -1.561 -9.537 1.00 0.00 C ATOM 1124 CG ASN A 76 -12.140 -2.809 -9.450 1.00 0.00 C ATOM 1125 OD1 ASN A 76 -12.001 -3.609 -8.517 1.00 0.00 O ATOM 1126 ND2 ASN A 76 -12.946 -3.021 -10.459 1.00 0.00 N ATOM 0 H ASN A 76 -13.522 -0.677 -7.687 1.00 0.00 H new ATOM 0 HA ASN A 76 -11.334 -1.091 -7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.509 -1.064 -10.486 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.252 -1.839 -9.542 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.496 -3.879 -10.501 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.024 -2.328 -11.204 1.00 0.00 H new ATOM 1133 N LYS A 77 -10.913 1.669 -7.767 1.00 0.00 N ATOM 1134 CA LYS A 77 -10.350 2.988 -8.029 1.00 0.00 C ATOM 1135 C LYS A 77 -9.995 3.698 -6.726 1.00 0.00 C ATOM 1136 O LYS A 77 -9.174 4.616 -6.711 1.00 0.00 O ATOM 1137 CB LYS A 77 -11.328 3.837 -8.843 1.00 0.00 C ATOM 1138 CG LYS A 77 -10.827 5.238 -9.166 1.00 0.00 C ATOM 1139 CD LYS A 77 -11.808 5.986 -10.056 1.00 0.00 C ATOM 1140 CE LYS A 77 -11.290 7.372 -10.411 1.00 0.00 C ATOM 1141 NZ LYS A 77 -12.229 8.105 -11.303 1.00 0.00 N ATOM 0 H LYS A 77 -11.533 1.628 -6.958 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.436 2.855 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.550 3.319 -9.776 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.265 3.917 -8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.675 5.794 -8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.859 5.175 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -11.981 5.416 -10.969 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.768 6.074 -9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.135 7.946 -9.498 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.320 7.283 -10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.839 9.044 -11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -12.358 7.570 -12.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -13.147 8.213 -10.827 1.00 0.00 H new ATOM 1155 N ARG A 78 -10.616 3.265 -5.634 1.00 0.00 N ATOM 1156 CA ARG A 78 -10.259 3.755 -4.308 1.00 0.00 C ATOM 1157 C ARG A 78 -10.630 2.736 -3.235 1.00 0.00 C ATOM 1158 O ARG A 78 -11.643 2.045 -3.345 1.00 0.00 O ATOM 1159 CB ARG A 78 -10.863 5.120 -4.017 1.00 0.00 C ATOM 1160 CG ARG A 78 -12.366 5.212 -4.220 1.00 0.00 C ATOM 1161 CD ARG A 78 -12.938 6.559 -3.964 1.00 0.00 C ATOM 1162 NE ARG A 78 -12.486 7.590 -4.882 1.00 0.00 N ATOM 1163 CZ ARG A 78 -12.970 7.774 -6.126 1.00 0.00 C ATOM 1164 NH1 ARG A 78 -13.893 6.978 -6.617 1.00 0.00 N ATOM 1165 NH2 ARG A 78 -12.476 8.763 -6.850 1.00 0.00 N ATOM 0 H ARG A 78 -11.368 2.576 -5.641 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.177 3.885 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.633 5.390 -2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.379 5.859 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.601 4.919 -5.243 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.854 4.492 -3.563 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -14.025 6.494 -4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.686 6.860 -2.947 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.750 8.219 -4.562 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.254 6.207 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -14.249 7.131 -7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.747 9.363 -6.464 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.823 8.926 -7.795 1.00 0.00 H new ATOM 1179 N ILE A 79 -9.804 2.649 -2.198 1.00 0.00 N ATOM 1180 CA ILE A 79 -9.955 1.610 -1.186 1.00 0.00 C ATOM 1181 C ILE A 79 -9.425 2.078 0.165 1.00 0.00 C ATOM 1182 O ILE A 79 -8.359 2.687 0.247 1.00 0.00 O ATOM 1183 CB ILE A 79 -9.229 0.315 -1.592 1.00 0.00 C ATOM 1184 CG1 ILE A 79 -9.495 -0.791 -0.565 1.00 0.00 C ATOM 1185 CG2 ILE A 79 -7.736 0.564 -1.736 1.00 0.00 C ATOM 1186 CD1 ILE A 79 -9.138 -2.176 -1.053 1.00 0.00 C ATOM 0 H ILE A 79 -9.023 3.285 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.022 1.404 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.616 -0.011 -2.557 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.927 -0.577 0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.550 -0.773 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.239 -0.362 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.565 1.320 -2.502 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.332 0.913 -0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.354 -2.904 -0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.725 -2.412 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.077 -2.213 -1.300 1.00 0.00 H new ATOM 1198 N GLU A 80 -10.177 1.788 1.223 1.00 0.00 N ATOM 1199 CA GLU A 80 -9.795 2.203 2.567 1.00 0.00 C ATOM 1200 C GLU A 80 -9.671 0.998 3.494 1.00 0.00 C ATOM 1201 O GLU A 80 -10.462 0.057 3.417 1.00 0.00 O ATOM 1202 CB GLU A 80 -10.811 3.201 3.130 1.00 0.00 C ATOM 1203 CG GLU A 80 -10.492 3.699 4.532 1.00 0.00 C ATOM 1204 CD GLU A 80 -11.571 4.612 5.046 1.00 0.00 C ATOM 1205 OE1 GLU A 80 -12.671 4.151 5.236 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -11.269 5.741 5.354 1.00 0.00 O ATOM 0 H GLU A 80 -11.053 1.268 1.175 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.822 2.691 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.871 4.057 2.458 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.795 2.733 3.139 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.380 2.849 5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.539 4.227 4.524 1.00 0.00 H new ATOM 1213 N TYR A 81 -8.673 1.034 4.371 1.00 0.00 N ATOM 1214 CA TYR A 81 -8.417 -0.076 5.282 1.00 0.00 C ATOM 1215 C TYR A 81 -7.933 0.434 6.637 1.00 0.00 C ATOM 1216 O TYR A 81 -7.392 1.534 6.741 1.00 0.00 O ATOM 1217 CB TYR A 81 -7.388 -1.036 4.681 1.00 0.00 C ATOM 1218 CG TYR A 81 -6.101 -0.366 4.252 1.00 0.00 C ATOM 1219 CD1 TYR A 81 -5.989 0.222 3.001 1.00 0.00 C ATOM 1220 CD2 TYR A 81 -5.002 -0.326 5.098 1.00 0.00 C ATOM 1221 CE1 TYR A 81 -4.817 0.835 2.603 1.00 0.00 C ATOM 1222 CE2 TYR A 81 -3.825 0.285 4.711 1.00 0.00 C ATOM 1223 CZ TYR A 81 -3.736 0.865 3.461 1.00 0.00 C ATOM 1224 OH TYR A 81 -2.566 1.473 3.070 1.00 0.00 O ATOM 0 H TYR A 81 -8.029 1.819 4.470 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.353 -0.614 5.431 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -7.157 -1.810 5.413 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.831 -1.535 3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.832 0.200 2.327 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.068 -0.780 6.076 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.747 1.289 1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.979 0.309 5.382 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.544 1.542 2.093 1.00 0.00 H new ATOM 1234 N ALA A 82 -8.135 -0.376 7.671 1.00 0.00 N ATOM 1235 CA ALA A 82 -7.781 0.019 9.030 1.00 0.00 C ATOM 1236 C ALA A 82 -6.723 -0.911 9.613 1.00 0.00 C ATOM 1237 O ALA A 82 -6.816 -2.132 9.483 1.00 0.00 O ATOM 1238 CB ALA A 82 -9.020 0.034 9.914 1.00 0.00 C ATOM 0 H ALA A 82 -8.541 -1.308 7.594 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.362 1.025 8.993 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.742 0.330 10.925 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -9.744 0.744 9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.463 -0.962 9.937 1.00 0.00 H new ATOM 1244 N PHE A 83 -5.718 -0.326 10.257 1.00 0.00 N ATOM 1245 CA PHE A 83 -4.598 -1.097 10.785 1.00 0.00 C ATOM 1246 C PHE A 83 -4.353 -0.760 12.253 1.00 0.00 C ATOM 1247 O PHE A 83 -3.849 0.313 12.580 1.00 0.00 O ATOM 1248 CB PHE A 83 -3.333 -0.837 9.965 1.00 0.00 C ATOM 1249 CG PHE A 83 -2.164 -1.689 10.369 1.00 0.00 C ATOM 1250 CD1 PHE A 83 -2.046 -2.993 9.911 1.00 0.00 C ATOM 1251 CD2 PHE A 83 -1.179 -1.188 11.208 1.00 0.00 C ATOM 1252 CE1 PHE A 83 -0.970 -3.777 10.283 1.00 0.00 C ATOM 1253 CE2 PHE A 83 -0.102 -1.970 11.579 1.00 0.00 C ATOM 1254 CZ PHE A 83 0.001 -3.267 11.116 1.00 0.00 C ATOM 0 H PHE A 83 -5.656 0.678 10.426 1.00 0.00 H new ATOM 0 HA PHE A 83 -4.851 -2.155 10.711 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -3.552 -1.012 8.912 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.057 0.213 10.063 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.803 -3.400 9.257 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.255 -0.175 11.575 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.891 -4.791 9.920 1.00 0.00 H new ATOM 0 HE2 PHE A 83 0.659 -1.567 12.231 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.841 -3.880 11.407 1.00 0.00 H new ATOM 1264 N GLY A 84 -4.716 -1.688 13.134 1.00 0.00 N ATOM 1265 CA GLY A 84 -4.550 -1.461 14.559 1.00 0.00 C ATOM 1266 C GLY A 84 -5.440 -0.350 15.077 1.00 0.00 C ATOM 1267 O GLY A 84 -6.666 -0.429 14.977 1.00 0.00 O ATOM 0 H GLY A 84 -5.121 -2.591 12.887 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -4.772 -2.382 15.099 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -3.509 -1.214 14.765 1.00 0.00 H new ATOM 1271 N ASP A 85 -4.825 0.687 15.634 1.00 0.00 N ATOM 1272 CA ASP A 85 -5.565 1.850 16.108 1.00 0.00 C ATOM 1273 C ASP A 85 -5.443 3.010 15.123 1.00 0.00 C ATOM 1274 O ASP A 85 -5.797 4.146 15.439 1.00 0.00 O ATOM 1275 CB ASP A 85 -5.069 2.276 17.492 1.00 0.00 C ATOM 1276 CG ASP A 85 -3.602 2.682 17.537 1.00 0.00 C ATOM 1277 OD1 ASP A 85 -2.945 2.572 16.530 1.00 0.00 O ATOM 1278 OD2 ASP A 85 -3.193 3.243 18.525 1.00 0.00 O ATOM 0 H ASP A 85 -3.816 0.746 15.768 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.616 1.573 16.184 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.676 3.112 17.841 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -5.228 1.454 18.190 1.00 0.00 H new ATOM 1283 N ARG A 86 -4.938 2.715 13.931 1.00 0.00 N ATOM 1284 CA ARG A 86 -4.773 3.732 12.898 1.00 0.00 C ATOM 1285 C ARG A 86 -5.529 3.344 11.629 1.00 0.00 C ATOM 1286 O ARG A 86 -5.967 2.204 11.478 1.00 0.00 O ATOM 1287 CB ARG A 86 -3.310 4.027 12.608 1.00 0.00 C ATOM 1288 CG ARG A 86 -2.566 4.736 13.730 1.00 0.00 C ATOM 1289 CD ARG A 86 -1.181 5.145 13.385 1.00 0.00 C ATOM 1290 NE ARG A 86 -0.242 4.042 13.255 1.00 0.00 N ATOM 1291 CZ ARG A 86 0.238 3.579 12.085 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.156 4.093 10.940 1.00 0.00 N ATOM 1293 NH2 ARG A 86 1.099 2.576 12.116 1.00 0.00 N ATOM 0 H ARG A 86 -4.636 1.781 13.655 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.205 4.656 13.281 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.801 3.088 12.391 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.249 4.639 11.708 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.131 5.621 14.022 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.532 4.079 14.599 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.202 5.700 12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.816 5.828 14.152 1.00 0.00 H new ATOM 0 HE ARG A 86 0.076 3.587 14.111 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.835 4.854 10.929 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.218 3.731 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.382 2.174 13.010 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.480 2.204 11.246 1.00 0.00 H new ATOM 1307 N THR A 87 -5.679 4.303 10.720 1.00 0.00 N ATOM 1308 CA THR A 87 -6.388 4.066 9.469 1.00 0.00 C ATOM 1309 C THR A 87 -5.604 4.606 8.280 1.00 0.00 C ATOM 1310 O THR A 87 -4.752 5.483 8.433 1.00 0.00 O ATOM 1311 CB THR A 87 -7.787 4.709 9.483 1.00 0.00 C ATOM 1312 OG1 THR A 87 -7.662 6.130 9.619 1.00 0.00 O ATOM 1313 CG2 THR A 87 -8.614 4.164 10.639 1.00 0.00 C ATOM 0 H THR A 87 -5.319 5.251 10.827 1.00 0.00 H new ATOM 0 HA THR A 87 -6.495 2.986 9.369 1.00 0.00 H new ATOM 0 HB THR A 87 -8.289 4.469 8.546 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.553 6.538 9.626 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.599 4.630 10.633 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.722 3.085 10.532 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.113 4.387 11.581 1.00 0.00 H new ATOM 1321 N ALA A 88 -5.896 4.079 7.096 1.00 0.00 N ATOM 1322 CA ALA A 88 -5.280 4.570 5.869 1.00 0.00 C ATOM 1323 C ALA A 88 -6.233 4.438 4.686 1.00 0.00 C ATOM 1324 O ALA A 88 -7.033 3.504 4.620 1.00 0.00 O ATOM 1325 CB ALA A 88 -3.985 3.821 5.591 1.00 0.00 C ATOM 0 H ALA A 88 -6.555 3.312 6.960 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.053 5.628 6.004 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.537 4.198 4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.293 3.970 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -4.196 2.757 5.481 1.00 0.00 H new ATOM 1331 N LYS A 89 -6.144 5.381 3.752 1.00 0.00 N ATOM 1332 CA LYS A 89 -7.013 5.382 2.581 1.00 0.00 C ATOM 1333 C LYS A 89 -6.241 5.792 1.332 1.00 0.00 C ATOM 1334 O LYS A 89 -5.498 6.773 1.342 1.00 0.00 O ATOM 1335 CB LYS A 89 -8.204 6.316 2.799 1.00 0.00 C ATOM 1336 CG LYS A 89 -9.218 6.315 1.663 1.00 0.00 C ATOM 1337 CD LYS A 89 -10.450 7.134 2.021 1.00 0.00 C ATOM 1338 CE LYS A 89 -11.458 7.146 0.881 1.00 0.00 C ATOM 1339 NZ LYS A 89 -12.683 7.917 1.228 1.00 0.00 N ATOM 0 H LYS A 89 -5.479 6.154 3.784 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.386 4.368 2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.710 6.031 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.833 7.332 2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.758 6.721 0.762 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.513 5.290 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -10.916 6.722 2.916 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -10.154 8.156 2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -10.996 7.579 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.733 6.122 0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.343 7.900 0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.138 7.489 2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.425 8.901 1.443 1.00 0.00 H new ATOM 1353 N VAL A 90 -6.423 5.035 0.255 1.00 0.00 N ATOM 1354 CA VAL A 90 -5.709 5.293 -0.991 1.00 0.00 C ATOM 1355 C VAL A 90 -6.679 5.542 -2.140 1.00 0.00 C ATOM 1356 O VAL A 90 -7.708 4.875 -2.252 1.00 0.00 O ATOM 1357 CB VAL A 90 -4.779 4.122 -1.362 1.00 0.00 C ATOM 1358 CG1 VAL A 90 -5.572 2.830 -1.483 1.00 0.00 C ATOM 1359 CG2 VAL A 90 -4.043 4.417 -2.660 1.00 0.00 C ATOM 0 H VAL A 90 -7.059 4.238 0.220 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.106 6.186 -0.829 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.043 4.002 -0.567 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.899 2.013 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.056 2.610 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.330 2.940 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.391 3.579 -2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.766 4.563 -3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -3.445 5.320 -2.542 1.00 0.00 H new ATOM 1369 N GLU A 91 -6.346 6.507 -2.990 1.00 0.00 N ATOM 1370 CA GLU A 91 -7.163 6.810 -4.159 1.00 0.00 C ATOM 1371 C GLU A 91 -6.318 6.806 -5.429 1.00 0.00 C ATOM 1372 O GLU A 91 -5.165 7.238 -5.424 1.00 0.00 O ATOM 1373 CB GLU A 91 -7.859 8.163 -3.991 1.00 0.00 C ATOM 1374 CG GLU A 91 -8.755 8.557 -5.157 1.00 0.00 C ATOM 1375 CD GLU A 91 -9.486 9.841 -4.874 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -8.837 10.841 -4.676 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -10.690 9.848 -4.966 1.00 0.00 O ATOM 0 H GLU A 91 -5.517 7.092 -2.891 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.923 6.034 -4.250 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.457 8.140 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -7.101 8.934 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.153 8.670 -6.059 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.474 7.761 -5.351 1.00 0.00 H new ATOM 1384 N PHE A 92 -6.901 6.316 -6.519 1.00 0.00 N ATOM 1385 CA PHE A 92 -6.168 6.151 -7.770 1.00 0.00 C ATOM 1386 C PHE A 92 -6.783 7.003 -8.876 1.00 0.00 C ATOM 1387 O PHE A 92 -7.952 6.841 -9.224 1.00 0.00 O ATOM 1388 CB PHE A 92 -6.145 4.679 -8.187 1.00 0.00 C ATOM 1389 CG PHE A 92 -5.516 3.770 -7.170 1.00 0.00 C ATOM 1390 CD1 PHE A 92 -6.249 3.304 -6.089 1.00 0.00 C ATOM 1391 CD2 PHE A 92 -4.191 3.381 -7.291 1.00 0.00 C ATOM 1392 CE1 PHE A 92 -5.672 2.468 -5.151 1.00 0.00 C ATOM 1393 CE2 PHE A 92 -3.611 2.544 -6.357 1.00 0.00 C ATOM 1394 CZ PHE A 92 -4.354 2.087 -5.285 1.00 0.00 C ATOM 0 H PHE A 92 -7.878 6.026 -6.561 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.143 6.485 -7.609 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.167 4.348 -8.374 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.603 4.586 -9.128 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.282 3.597 -5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.605 3.736 -8.126 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.254 2.113 -4.313 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -2.578 2.247 -6.465 1.00 0.00 H new ATOM 0 HZ PHE A 92 -3.903 1.433 -4.554 1.00 0.00 H new ATOM 1404 N LEU A 93 -5.985 7.912 -9.426 1.00 0.00 N ATOM 1405 CA LEU A 93 -6.494 8.917 -10.351 1.00 0.00 C ATOM 1406 C LEU A 93 -5.945 8.692 -11.757 1.00 0.00 C ATOM 1407 O LEU A 93 -4.736 8.551 -11.945 1.00 0.00 O ATOM 1408 CB LEU A 93 -6.138 10.324 -9.856 1.00 0.00 C ATOM 1409 CG LEU A 93 -6.658 10.675 -8.456 1.00 0.00 C ATOM 1410 CD1 LEU A 93 -6.141 12.044 -8.035 1.00 0.00 C ATOM 1411 CD2 LEU A 93 -8.179 10.649 -8.458 1.00 0.00 C ATOM 0 H LEU A 93 -4.983 7.973 -9.247 1.00 0.00 H new ATOM 0 HA LEU A 93 -7.579 8.824 -10.393 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.053 10.430 -9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.532 11.052 -10.565 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.296 9.939 -7.738 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -6.516 12.284 -7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.051 12.032 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.486 12.797 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.548 10.898 -7.463 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.554 11.377 -9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -8.526 9.653 -8.735 1.00 0.00 H new ATOM 1423 N GLU A 94 -6.840 8.659 -12.739 1.00 0.00 N ATOM 1424 CA GLU A 94 -6.443 8.460 -14.128 1.00 0.00 C ATOM 1425 C GLU A 94 -5.900 9.753 -14.729 1.00 0.00 C ATOM 1426 O GLU A 94 -6.620 10.743 -14.852 1.00 0.00 O ATOM 1427 CB GLU A 94 -7.623 7.948 -14.956 1.00 0.00 C ATOM 1428 CG GLU A 94 -7.279 7.614 -16.401 1.00 0.00 C ATOM 1429 CD GLU A 94 -8.486 7.117 -17.148 1.00 0.00 C ATOM 1430 OE1 GLU A 94 -9.535 7.031 -16.555 1.00 0.00 O ATOM 1431 OE2 GLU A 94 -8.388 6.932 -18.338 1.00 0.00 O ATOM 0 H GLU A 94 -7.844 8.767 -12.599 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.651 7.712 -14.148 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.028 7.057 -14.476 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -8.411 8.701 -14.948 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -6.881 8.499 -16.897 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -6.496 6.856 -16.425 1.00 0.00 H new ATOM 1438 N ALA A 95 -4.624 9.737 -15.101 1.00 0.00 N ATOM 1439 CA ALA A 95 -4.014 10.866 -15.790 1.00 0.00 C ATOM 1440 C ALA A 95 -3.748 10.537 -17.256 1.00 0.00 C ATOM 1441 O ALA A 95 -3.698 9.374 -17.655 1.00 0.00 O ATOM 1442 CB ALA A 95 -2.723 11.273 -15.096 1.00 0.00 C ATOM 0 H ALA A 95 -3.993 8.953 -14.936 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.712 11.702 -15.754 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.278 12.118 -15.622 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.938 11.559 -14.066 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.027 10.434 -15.102 1.00 0.00 H new ATOM 1448 N PRO A 96 -3.574 11.582 -18.076 1.00 0.00 N ATOM 1449 CA PRO A 96 -3.259 11.428 -19.499 1.00 0.00 C ATOM 1450 C PRO A 96 -1.897 10.783 -19.725 1.00 0.00 C ATOM 1451 O PRO A 96 -1.681 10.104 -20.729 1.00 0.00 O ATOM 1452 CB PRO A 96 -3.308 12.859 -20.045 1.00 0.00 C ATOM 1453 CG PRO A 96 -3.046 13.719 -18.855 1.00 0.00 C ATOM 1454 CD PRO A 96 -3.700 13.011 -17.699 1.00 0.00 C ATOM 0 HA PRO A 96 -3.959 10.762 -20.004 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -2.558 13.014 -20.820 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -4.278 13.081 -20.490 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.976 13.841 -18.686 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -3.463 14.717 -18.992 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -3.198 13.226 -16.756 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.742 13.308 -17.580 1.00 0.00 H new ATOM 1462 N GLN A 97 -0.983 10.995 -18.785 1.00 0.00 N ATOM 1463 CA GLN A 97 0.386 10.516 -18.928 1.00 0.00 C ATOM 1464 C GLN A 97 0.619 9.266 -18.086 1.00 0.00 C ATOM 1465 O GLN A 97 1.633 8.586 -18.232 1.00 0.00 O ATOM 1466 CB GLN A 97 1.382 11.607 -18.524 1.00 0.00 C ATOM 1467 CG GLN A 97 1.322 12.856 -19.387 1.00 0.00 C ATOM 1468 CD GLN A 97 2.330 13.904 -18.958 1.00 0.00 C ATOM 1469 OE1 GLN A 97 3.197 13.646 -18.118 1.00 0.00 O ATOM 1470 NE2 GLN A 97 2.220 15.098 -19.531 1.00 0.00 N ATOM 0 H GLN A 97 -1.166 11.496 -17.915 1.00 0.00 H new ATOM 0 HA GLN A 97 0.542 10.262 -19.976 1.00 0.00 H new ATOM 0 HB2 GLN A 97 1.197 11.886 -17.487 1.00 0.00 H new ATOM 0 HB3 GLN A 97 2.391 11.197 -18.568 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.504 12.585 -20.427 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.319 13.280 -19.339 1.00 0.00 H new ATOM 0 HE21 GLN A 97 1.488 15.267 -20.221 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.868 15.845 -19.281 1.00 0.00 H new ATOM 1479 N GLY A 98 -0.330 8.970 -17.203 1.00 0.00 N ATOM 1480 CA GLY A 98 -0.172 7.852 -16.292 1.00 0.00 C ATOM 1481 C GLY A 98 -1.302 7.759 -15.285 1.00 0.00 C ATOM 1482 O GLY A 98 -2.349 8.385 -15.455 1.00 0.00 O ATOM 0 H GLY A 98 -1.205 9.484 -17.103 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -0.122 6.926 -16.864 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.775 7.950 -15.762 1.00 0.00 H new ATOM 1486 N VAL A 99 -1.094 6.971 -14.234 1.00 0.00 N ATOM 1487 CA VAL A 99 -2.041 6.908 -13.128 1.00 0.00 C ATOM 1488 C VAL A 99 -1.387 7.330 -11.818 1.00 0.00 C ATOM 1489 O VAL A 99 -0.314 6.843 -11.460 1.00 0.00 O ATOM 1490 CB VAL A 99 -2.625 5.492 -12.965 1.00 0.00 C ATOM 1491 CG1 VAL A 99 -3.492 5.413 -11.717 1.00 0.00 C ATOM 1492 CG2 VAL A 99 -3.431 5.103 -14.196 1.00 0.00 C ATOM 0 H VAL A 99 -0.278 6.368 -14.126 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.849 7.600 -13.367 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.798 4.790 -12.857 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.896 4.406 -11.618 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -2.890 5.650 -10.840 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.312 6.127 -11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -3.836 4.100 -14.064 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.249 5.810 -14.333 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.785 5.121 -15.074 1.00 0.00 H new ATOM 1502 N THR A 100 -2.040 8.243 -11.104 1.00 0.00 N ATOM 1503 CA THR A 100 -1.477 8.804 -9.882 1.00 0.00 C ATOM 1504 C THR A 100 -2.040 8.110 -8.647 1.00 0.00 C ATOM 1505 O THR A 100 -3.255 7.988 -8.493 1.00 0.00 O ATOM 1506 CB THR A 100 -1.747 10.316 -9.779 1.00 0.00 C ATOM 1507 OG1 THR A 100 -1.090 10.997 -10.856 1.00 0.00 O ATOM 1508 CG2 THR A 100 -1.236 10.860 -8.454 1.00 0.00 C ATOM 0 H THR A 100 -2.959 8.609 -11.352 1.00 0.00 H new ATOM 0 HA THR A 100 -0.400 8.640 -9.927 1.00 0.00 H new ATOM 0 HB THR A 100 -2.823 10.482 -9.838 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.119 10.935 -10.739 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.435 11.930 -8.399 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.743 10.354 -7.633 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.162 10.687 -8.379 1.00 0.00 H new ATOM 1516 N VAL A 101 -1.151 7.658 -7.771 1.00 0.00 N ATOM 1517 CA VAL A 101 -1.560 6.962 -6.556 1.00 0.00 C ATOM 1518 C VAL A 101 -1.361 7.841 -5.327 1.00 0.00 C ATOM 1519 O VAL A 101 -0.241 8.250 -5.017 1.00 0.00 O ATOM 1520 CB VAL A 101 -0.774 5.651 -6.369 1.00 0.00 C ATOM 1521 CG1 VAL A 101 -1.225 4.933 -5.105 1.00 0.00 C ATOM 1522 CG2 VAL A 101 -0.937 4.755 -7.588 1.00 0.00 C ATOM 0 H VAL A 101 -0.142 7.761 -7.879 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.619 6.729 -6.665 1.00 0.00 H new ATOM 0 HB VAL A 101 0.283 5.893 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.659 4.009 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.053 5.575 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.287 4.701 -5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.375 3.833 -7.439 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.992 4.519 -7.728 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.561 5.271 -8.472 1.00 0.00 H new ATOM 1532 N ARG A 102 -2.454 8.126 -4.627 1.00 0.00 N ATOM 1533 CA ARG A 102 -2.405 8.983 -3.448 1.00 0.00 C ATOM 1534 C ARG A 102 -2.798 8.206 -2.195 1.00 0.00 C ATOM 1535 O ARG A 102 -3.885 7.630 -2.125 1.00 0.00 O ATOM 1536 CB ARG A 102 -3.245 10.240 -3.614 1.00 0.00 C ATOM 1537 CG ARG A 102 -3.353 11.107 -2.371 1.00 0.00 C ATOM 1538 CD ARG A 102 -4.176 12.331 -2.546 1.00 0.00 C ATOM 1539 NE ARG A 102 -3.615 13.307 -3.465 1.00 0.00 N ATOM 1540 CZ ARG A 102 -4.261 14.406 -3.903 1.00 0.00 C ATOM 1541 NH1 ARG A 102 -5.500 14.652 -3.540 1.00 0.00 N ATOM 1542 NH2 ARG A 102 -3.623 15.218 -4.728 1.00 0.00 N ATOM 0 H ARG A 102 -3.384 7.776 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 102 -1.373 9.314 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.821 10.838 -4.421 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.249 9.950 -3.925 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.777 10.511 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.351 11.400 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.165 12.041 -2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.314 12.803 -1.573 1.00 0.00 H new ATOM 0 HE ARG A 102 -2.665 13.149 -3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.987 14.007 -2.918 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.975 15.488 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.668 15.005 -5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -4.086 16.058 -5.077 1.00 0.00 H new ATOM 1556 N VAL A 103 -1.909 8.195 -1.209 1.00 0.00 N ATOM 1557 CA VAL A 103 -2.167 7.499 0.046 1.00 0.00 C ATOM 1558 C VAL A 103 -2.175 8.469 1.223 1.00 0.00 C ATOM 1559 O VAL A 103 -1.194 9.170 1.467 1.00 0.00 O ATOM 1560 CB VAL A 103 -1.122 6.398 0.306 1.00 0.00 C ATOM 1561 CG1 VAL A 103 -1.396 5.708 1.635 1.00 0.00 C ATOM 1562 CG2 VAL A 103 -1.122 5.384 -0.828 1.00 0.00 C ATOM 0 H VAL A 103 -1.003 8.660 -1.254 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.150 7.038 -0.046 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.137 6.863 0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.649 4.933 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -1.348 6.440 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -2.388 5.257 1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -0.378 4.614 -0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.108 4.925 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.881 5.886 -1.765 1.00 0.00 H new ATOM 1572 N SER A 104 -3.287 8.503 1.948 1.00 0.00 N ATOM 1573 CA SER A 104 -3.374 9.277 3.181 1.00 0.00 C ATOM 1574 C SER A 104 -3.550 8.361 4.388 1.00 0.00 C ATOM 1575 O SER A 104 -4.457 7.529 4.422 1.00 0.00 O ATOM 1576 CB SER A 104 -4.517 10.270 3.096 1.00 0.00 C ATOM 1577 OG SER A 104 -4.285 11.257 2.128 1.00 0.00 O ATOM 0 H SER A 104 -4.142 8.003 1.703 1.00 0.00 H new ATOM 0 HA SER A 104 -2.441 9.826 3.308 1.00 0.00 H new ATOM 0 HB2 SER A 104 -5.440 9.741 2.860 1.00 0.00 H new ATOM 0 HB3 SER A 104 -4.660 10.742 4.068 1.00 0.00 H new ATOM 0 HG SER A 104 -5.044 11.876 2.103 1.00 0.00 H new ATOM 1583 N PHE A 105 -2.676 8.519 5.376 1.00 0.00 N ATOM 1584 CA PHE A 105 -2.625 7.599 6.506 1.00 0.00 C ATOM 1585 C PHE A 105 -2.381 8.352 7.811 1.00 0.00 C ATOM 1586 O PHE A 105 -1.882 9.477 7.806 1.00 0.00 O ATOM 1587 CB PHE A 105 -1.535 6.547 6.290 1.00 0.00 C ATOM 1588 CG PHE A 105 -0.154 7.123 6.161 1.00 0.00 C ATOM 1589 CD1 PHE A 105 0.329 7.537 4.929 1.00 0.00 C ATOM 1590 CD2 PHE A 105 0.666 7.253 7.272 1.00 0.00 C ATOM 1591 CE1 PHE A 105 1.599 8.066 4.808 1.00 0.00 C ATOM 1592 CE2 PHE A 105 1.937 7.783 7.154 1.00 0.00 C ATOM 1593 CZ PHE A 105 2.404 8.189 5.923 1.00 0.00 C ATOM 0 H PHE A 105 -1.993 9.276 5.417 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.589 7.096 6.576 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.550 5.846 7.124 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.766 5.977 5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -0.296 7.445 4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.307 6.937 8.240 1.00 0.00 H new ATOM 0 HE1 PHE A 105 1.962 8.383 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.565 7.879 8.028 1.00 0.00 H new ATOM 0 HZ PHE A 105 3.397 8.602 5.830 1.00 0.00 H new ATOM 1603 N VAL A 106 -2.738 7.723 8.926 1.00 0.00 N ATOM 1604 CA VAL A 106 -2.416 8.260 10.243 1.00 0.00 C ATOM 1605 C VAL A 106 -0.977 7.941 10.630 1.00 0.00 C ATOM 1606 O VAL A 106 -0.536 6.797 10.531 1.00 0.00 O ATOM 1607 CB VAL A 106 -3.363 7.710 11.325 1.00 0.00 C ATOM 1608 CG1 VAL A 106 -2.969 8.237 12.696 1.00 0.00 C ATOM 1609 CG2 VAL A 106 -4.805 8.077 11.007 1.00 0.00 C ATOM 0 H VAL A 106 -3.250 6.841 8.944 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.541 9.341 10.181 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.279 6.623 11.337 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.649 7.838 13.448 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -1.950 7.926 12.926 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.025 9.326 12.697 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -5.461 7.680 11.782 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.904 9.162 10.968 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.084 7.652 10.043 1.00 0.00 H new ATOM 1619 N ALA A 107 -0.249 8.961 11.073 1.00 0.00 N ATOM 1620 CA ALA A 107 1.161 8.806 11.407 1.00 0.00 C ATOM 1621 C ALA A 107 1.335 8.014 12.700 1.00 0.00 C ATOM 1622 O ALA A 107 0.579 8.196 13.655 1.00 0.00 O ATOM 1623 CB ALA A 107 1.830 10.167 11.526 1.00 0.00 C ATOM 0 H ALA A 107 -0.613 9.904 11.209 1.00 0.00 H new ATOM 0 HA ALA A 107 1.639 8.248 10.602 1.00 0.00 H new ATOM 0 HB1 ALA A 107 2.883 10.034 11.776 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.746 10.698 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.341 10.745 12.310 1.00 0.00 H new ATOM 1629 N GLU A 108 2.333 7.137 12.723 1.00 0.00 N ATOM 1630 CA GLU A 108 2.629 6.348 13.911 1.00 0.00 C ATOM 1631 C GLU A 108 3.415 7.171 14.928 1.00 0.00 C ATOM 1632 O GLU A 108 4.493 7.686 14.627 1.00 0.00 O ATOM 1633 CB GLU A 108 3.407 5.084 13.537 1.00 0.00 C ATOM 1634 CG GLU A 108 3.767 4.194 14.718 1.00 0.00 C ATOM 1635 CD GLU A 108 2.535 3.680 15.410 1.00 0.00 C ATOM 1636 OE1 GLU A 108 1.804 2.932 14.804 1.00 0.00 O ATOM 1637 OE2 GLU A 108 2.380 3.944 16.579 1.00 0.00 O ATOM 0 H GLU A 108 2.950 6.955 11.932 1.00 0.00 H new ATOM 0 HA GLU A 108 1.683 6.054 14.365 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.815 4.505 12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.324 5.375 13.024 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.370 3.354 14.373 1.00 0.00 H new ATOM 0 HG3 GLU A 108 4.377 4.755 15.426 1.00 0.00 H new ATOM 1644 N THR A 109 2.869 7.291 16.134 1.00 0.00 N ATOM 1645 CA THR A 109 3.457 8.147 17.157 1.00 0.00 C ATOM 1646 C THR A 109 4.802 7.603 17.622 1.00 0.00 C ATOM 1647 O THR A 109 5.642 8.349 18.125 1.00 0.00 O ATOM 1648 CB THR A 109 2.525 8.295 18.374 1.00 0.00 C ATOM 1649 OG1 THR A 109 2.289 7.007 18.958 1.00 0.00 O ATOM 1650 CG2 THR A 109 1.197 8.910 17.958 1.00 0.00 C ATOM 0 H THR A 109 2.020 6.806 16.426 1.00 0.00 H new ATOM 0 HA THR A 109 3.602 9.127 16.702 1.00 0.00 H new ATOM 0 HB THR A 109 3.004 8.950 19.102 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.697 7.103 19.733 1.00 0.00 H new ATOM 0 HG21 THR A 109 0.552 9.007 18.831 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.372 9.895 17.525 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.715 8.269 17.220 1.00 0.00 H new ATOM 1658 N GLU A 110 5.001 6.299 17.449 1.00 0.00 N ATOM 1659 CA GLU A 110 6.236 5.653 17.877 1.00 0.00 C ATOM 1660 C GLU A 110 7.389 6.010 16.945 1.00 0.00 C ATOM 1661 O GLU A 110 8.557 5.835 17.289 1.00 0.00 O ATOM 1662 CB GLU A 110 6.054 4.134 17.935 1.00 0.00 C ATOM 1663 CG GLU A 110 5.111 3.655 19.029 1.00 0.00 C ATOM 1664 CD GLU A 110 4.942 2.162 18.989 1.00 0.00 C ATOM 1665 OE1 GLU A 110 5.524 1.540 18.134 1.00 0.00 O ATOM 1666 OE2 GLU A 110 4.323 1.630 19.881 1.00 0.00 O ATOM 0 H GLU A 110 4.324 5.671 17.016 1.00 0.00 H new ATOM 0 HA GLU A 110 6.478 6.016 18.876 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.679 3.788 16.972 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.029 3.669 18.083 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.499 3.953 20.003 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.140 4.136 18.912 1.00 0.00 H new ATOM 1673 N TYR A 111 7.052 6.511 15.761 1.00 0.00 N ATOM 1674 CA TYR A 111 8.057 6.892 14.778 1.00 0.00 C ATOM 1675 C TYR A 111 7.919 8.363 14.397 1.00 0.00 C ATOM 1676 O TYR A 111 6.831 8.939 14.432 1.00 0.00 O ATOM 1677 CB TYR A 111 7.948 6.012 13.531 1.00 0.00 C ATOM 1678 CG TYR A 111 8.376 4.579 13.752 1.00 0.00 C ATOM 1679 CD1 TYR A 111 7.466 3.619 14.168 1.00 0.00 C ATOM 1680 CD2 TYR A 111 9.691 4.190 13.541 1.00 0.00 C ATOM 1681 CE1 TYR A 111 7.852 2.308 14.373 1.00 0.00 C ATOM 1682 CE2 TYR A 111 10.088 2.881 13.741 1.00 0.00 C ATOM 1683 CZ TYR A 111 9.166 1.944 14.158 1.00 0.00 C ATOM 1684 OH TYR A 111 9.557 0.639 14.357 1.00 0.00 O ATOM 0 H TYR A 111 6.089 6.662 15.460 1.00 0.00 H new ATOM 0 HA TYR A 111 9.039 6.745 15.227 1.00 0.00 H new ATOM 0 HB2 TYR A 111 6.916 6.022 13.180 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.558 6.445 12.739 1.00 0.00 H new ATOM 0 HD1 TYR A 111 6.437 3.901 14.335 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.416 4.921 13.215 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.131 1.573 14.699 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.115 2.594 13.572 1.00 0.00 H new ATOM 0 HH TYR A 111 10.513 0.550 14.161 1.00 0.00 H new ATOM 1694 N PRO A 112 9.047 8.985 14.025 1.00 0.00 N ATOM 1695 CA PRO A 112 9.066 10.375 13.559 1.00 0.00 C ATOM 1696 C PRO A 112 8.109 10.611 12.396 1.00 0.00 C ATOM 1697 O PRO A 112 7.922 9.739 11.547 1.00 0.00 O ATOM 1698 CB PRO A 112 10.525 10.607 13.150 1.00 0.00 C ATOM 1699 CG PRO A 112 11.297 9.614 13.949 1.00 0.00 C ATOM 1700 CD PRO A 112 10.414 8.397 14.033 1.00 0.00 C ATOM 0 HA PRO A 112 8.730 11.069 14.329 1.00 0.00 H new ATOM 0 HB2 PRO A 112 10.667 10.453 12.080 1.00 0.00 H new ATOM 0 HB3 PRO A 112 10.842 11.626 13.370 1.00 0.00 H new ATOM 0 HG2 PRO A 112 12.247 9.378 13.470 1.00 0.00 H new ATOM 0 HG3 PRO A 112 11.528 10.002 14.941 1.00 0.00 H new ATOM 0 HD2 PRO A 112 10.570 7.724 13.190 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.602 7.822 14.939 1.00 0.00 H new ATOM 1708 N VAL A 113 7.505 11.793 12.361 1.00 0.00 N ATOM 1709 CA VAL A 113 6.636 12.178 11.257 1.00 0.00 C ATOM 1710 C VAL A 113 7.366 12.075 9.922 1.00 0.00 C ATOM 1711 O VAL A 113 6.823 11.562 8.944 1.00 0.00 O ATOM 1712 CB VAL A 113 6.101 13.612 11.431 1.00 0.00 C ATOM 1713 CG1 VAL A 113 5.389 14.071 10.167 1.00 0.00 C ATOM 1714 CG2 VAL A 113 5.164 13.690 12.627 1.00 0.00 C ATOM 0 H VAL A 113 7.602 12.503 13.087 1.00 0.00 H new ATOM 0 HA VAL A 113 5.794 11.485 11.262 1.00 0.00 H new ATOM 0 HB VAL A 113 6.947 14.276 11.612 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.017 15.086 10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 113 6.086 14.052 9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.553 13.404 9.958 1.00 0.00 H new ATOM 0 HG21 VAL A 113 4.796 14.710 12.735 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.322 13.015 12.474 1.00 0.00 H new ATOM 0 HG23 VAL A 113 5.702 13.401 13.530 1.00 0.00 H new ATOM 1724 N GLU A 114 8.600 12.568 9.889 1.00 0.00 N ATOM 1725 CA GLU A 114 9.415 12.504 8.682 1.00 0.00 C ATOM 1726 C GLU A 114 9.708 11.057 8.298 1.00 0.00 C ATOM 1727 O GLU A 114 9.753 10.713 7.116 1.00 0.00 O ATOM 1728 CB GLU A 114 10.722 13.276 8.875 1.00 0.00 C ATOM 1729 CG GLU A 114 10.555 14.787 8.950 1.00 0.00 C ATOM 1730 CD GLU A 114 11.861 15.466 9.261 1.00 0.00 C ATOM 1731 OE1 GLU A 114 12.828 14.778 9.482 1.00 0.00 O ATOM 1732 OE2 GLU A 114 11.918 16.669 9.167 1.00 0.00 O ATOM 0 H GLU A 114 9.057 13.016 10.684 1.00 0.00 H new ATOM 0 HA GLU A 114 8.852 12.966 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.202 12.930 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.395 13.038 8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.165 15.160 8.003 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.821 15.036 9.717 1.00 0.00 H new ATOM 1739 N GLN A 115 9.909 10.213 9.306 1.00 0.00 N ATOM 1740 CA GLN A 115 10.217 8.808 9.074 1.00 0.00 C ATOM 1741 C GLN A 115 9.056 8.101 8.384 1.00 0.00 C ATOM 1742 O GLN A 115 9.259 7.287 7.484 1.00 0.00 O ATOM 1743 CB GLN A 115 10.543 8.104 10.394 1.00 0.00 C ATOM 1744 CG GLN A 115 10.962 6.652 10.238 1.00 0.00 C ATOM 1745 CD GLN A 115 12.252 6.502 9.457 1.00 0.00 C ATOM 1746 OE1 GLN A 115 13.230 7.216 9.702 1.00 0.00 O ATOM 1747 NE2 GLN A 115 12.263 5.574 8.506 1.00 0.00 N ATOM 0 H GLN A 115 9.864 10.479 10.290 1.00 0.00 H new ATOM 0 HA GLN A 115 11.089 8.761 8.422 1.00 0.00 H new ATOM 0 HB2 GLN A 115 11.342 8.649 10.896 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.669 8.151 11.043 1.00 0.00 H new ATOM 0 HG2 GLN A 115 11.084 6.204 11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.169 6.100 9.733 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.432 5.006 8.338 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.102 5.429 7.944 1.00 0.00 H new ATOM 1756 N GLN A 116 7.838 8.418 8.814 1.00 0.00 N ATOM 1757 CA GLN A 116 6.641 7.848 8.206 1.00 0.00 C ATOM 1758 C GLN A 116 6.420 8.413 6.807 1.00 0.00 C ATOM 1759 O GLN A 116 6.068 7.683 5.881 1.00 0.00 O ATOM 1760 CB GLN A 116 5.412 8.122 9.078 1.00 0.00 C ATOM 1761 CG GLN A 116 5.358 7.300 10.353 1.00 0.00 C ATOM 1762 CD GLN A 116 5.211 5.816 10.080 1.00 0.00 C ATOM 1763 OE1 GLN A 116 4.258 5.383 9.424 1.00 0.00 O ATOM 1764 NE2 GLN A 116 6.152 5.026 10.582 1.00 0.00 N ATOM 0 H GLN A 116 7.655 9.066 9.580 1.00 0.00 H new ATOM 0 HA GLN A 116 6.786 6.771 8.127 1.00 0.00 H new ATOM 0 HB2 GLN A 116 5.395 9.180 9.340 1.00 0.00 H new ATOM 0 HB3 GLN A 116 4.514 7.924 8.493 1.00 0.00 H new ATOM 0 HG2 GLN A 116 6.266 7.472 10.931 1.00 0.00 H new ATOM 0 HG3 GLN A 116 4.522 7.638 10.965 1.00 0.00 H new ATOM 0 HE21 GLN A 116 6.922 5.427 11.118 1.00 0.00 H new ATOM 0 HE22 GLN A 116 6.105 4.018 10.432 1.00 0.00 H new ATOM 1773 N GLN A 117 6.626 9.719 6.662 1.00 0.00 N ATOM 1774 CA GLN A 117 6.463 10.378 5.372 1.00 0.00 C ATOM 1775 C GLN A 117 7.353 9.735 4.314 1.00 0.00 C ATOM 1776 O GLN A 117 6.892 9.395 3.225 1.00 0.00 O ATOM 1777 CB GLN A 117 6.787 11.870 5.487 1.00 0.00 C ATOM 1778 CG GLN A 117 6.619 12.645 4.192 1.00 0.00 C ATOM 1779 CD GLN A 117 6.952 14.116 4.350 1.00 0.00 C ATOM 1780 OE1 GLN A 117 7.386 14.557 5.418 1.00 0.00 O ATOM 1781 NE2 GLN A 117 6.746 14.886 3.288 1.00 0.00 N ATOM 0 H GLN A 117 6.906 10.340 7.421 1.00 0.00 H new ATOM 0 HA GLN A 117 5.423 10.263 5.067 1.00 0.00 H new ATOM 0 HB2 GLN A 117 6.144 12.312 6.248 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.814 11.982 5.833 1.00 0.00 H new ATOM 0 HG2 GLN A 117 7.261 12.210 3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.592 12.544 3.842 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.386 14.479 2.425 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.948 15.885 3.335 1.00 0.00 H new ATOM 1790 N GLN A 118 8.630 9.574 4.643 1.00 0.00 N ATOM 1791 CA GLN A 118 9.597 9.025 3.699 1.00 0.00 C ATOM 1792 C GLN A 118 9.369 7.531 3.491 1.00 0.00 C ATOM 1793 O GLN A 118 9.459 7.030 2.371 1.00 0.00 O ATOM 1794 CB GLN A 118 11.027 9.269 4.192 1.00 0.00 C ATOM 1795 CG GLN A 118 11.466 10.721 4.135 1.00 0.00 C ATOM 1796 CD GLN A 118 12.856 10.928 4.706 1.00 0.00 C ATOM 1797 OE1 GLN A 118 13.472 9.997 5.230 1.00 0.00 O ATOM 1798 NE2 GLN A 118 13.358 12.155 4.609 1.00 0.00 N ATOM 0 H GLN A 118 9.019 9.815 5.554 1.00 0.00 H new ATOM 0 HA GLN A 118 9.458 9.533 2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 118 11.110 8.916 5.220 1.00 0.00 H new ATOM 0 HB3 GLN A 118 11.713 8.670 3.593 1.00 0.00 H new ATOM 0 HG2 GLN A 118 11.447 11.063 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 118 10.754 11.335 4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 118 12.813 12.896 4.167 1.00 0.00 H new ATOM 0 HE22 GLN A 118 14.288 12.356 4.976 1.00 0.00 H new ATOM 1807 N GLY A 119 9.072 6.826 4.578 1.00 0.00 N ATOM 1808 CA GLY A 119 8.917 5.385 4.507 1.00 0.00 C ATOM 1809 C GLY A 119 7.743 4.969 3.645 1.00 0.00 C ATOM 1810 O GLY A 119 7.859 4.061 2.821 1.00 0.00 O ATOM 0 H GLY A 119 8.936 7.227 5.506 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.831 4.944 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 119 8.784 4.987 5.513 1.00 0.00 H new ATOM 1814 N TRP A 120 6.608 5.632 3.834 1.00 0.00 N ATOM 1815 CA TRP A 120 5.405 5.325 3.068 1.00 0.00 C ATOM 1816 C TRP A 120 5.569 5.744 1.611 1.00 0.00 C ATOM 1817 O TRP A 120 5.076 5.070 0.705 1.00 0.00 O ATOM 1818 CB TRP A 120 4.188 6.018 3.683 1.00 0.00 C ATOM 1819 CG TRP A 120 3.613 5.287 4.859 1.00 0.00 C ATOM 1820 CD1 TRP A 120 4.118 5.257 6.124 1.00 0.00 C ATOM 1821 CD2 TRP A 120 2.428 4.485 4.878 1.00 0.00 C ATOM 1822 NE1 TRP A 120 3.321 4.483 6.932 1.00 0.00 N ATOM 1823 CE2 TRP A 120 2.275 3.998 6.189 1.00 0.00 C ATOM 1824 CE3 TRP A 120 1.478 4.130 3.911 1.00 0.00 C ATOM 1825 CZ2 TRP A 120 1.220 3.179 6.559 1.00 0.00 C ATOM 1826 CZ3 TRP A 120 0.420 3.309 4.283 1.00 0.00 C ATOM 1827 CH2 TRP A 120 0.294 2.848 5.569 1.00 0.00 C ATOM 0 H TRP A 120 6.495 6.386 4.511 1.00 0.00 H new ATOM 0 HA TRP A 120 5.248 4.247 3.101 1.00 0.00 H new ATOM 0 HB2 TRP A 120 4.471 7.024 3.994 1.00 0.00 H new ATOM 0 HB3 TRP A 120 3.417 6.125 2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 120 5.014 5.767 6.445 1.00 0.00 H new ATOM 0 HE1 TRP A 120 3.481 4.299 7.922 1.00 0.00 H new ATOM 0 HE3 TRP A 120 1.566 4.488 2.896 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 1.119 2.813 7.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -0.317 3.028 3.545 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -0.543 2.213 5.821 1.00 0.00 H new ATOM 1838 N GLN A 121 6.261 6.856 1.392 1.00 0.00 N ATOM 1839 CA GLN A 121 6.627 7.275 0.044 1.00 0.00 C ATOM 1840 C GLN A 121 7.552 6.254 -0.610 1.00 0.00 C ATOM 1841 O GLN A 121 7.423 5.958 -1.797 1.00 0.00 O ATOM 1842 CB GLN A 121 7.306 8.647 0.074 1.00 0.00 C ATOM 1843 CG GLN A 121 7.668 9.192 -1.298 1.00 0.00 C ATOM 1844 CD GLN A 121 6.444 9.498 -2.140 1.00 0.00 C ATOM 1845 OE1 GLN A 121 5.540 10.217 -1.707 1.00 0.00 O ATOM 1846 NE2 GLN A 121 6.406 8.948 -3.349 1.00 0.00 N ATOM 0 H GLN A 121 6.580 7.484 2.130 1.00 0.00 H new ATOM 0 HA GLN A 121 5.713 7.344 -0.545 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.645 9.356 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 121 8.212 8.579 0.676 1.00 0.00 H new ATOM 0 HG2 GLN A 121 8.261 10.099 -1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.293 8.468 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 121 7.177 8.360 -3.666 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.606 9.114 -3.960 1.00 0.00 H new ATOM 1855 N ALA A 122 8.484 5.719 0.173 1.00 0.00 N ATOM 1856 CA ALA A 122 9.425 4.727 -0.331 1.00 0.00 C ATOM 1857 C ALA A 122 8.703 3.460 -0.775 1.00 0.00 C ATOM 1858 O ALA A 122 9.104 2.813 -1.743 1.00 0.00 O ATOM 1859 CB ALA A 122 10.464 4.399 0.732 1.00 0.00 C ATOM 0 H ALA A 122 8.607 5.956 1.157 1.00 0.00 H new ATOM 0 HA ALA A 122 9.929 5.149 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 122 11.161 3.657 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.010 5.304 0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.967 4.001 1.616 1.00 0.00 H new ATOM 1865 N ILE A 123 7.636 3.112 -0.063 1.00 0.00 N ATOM 1866 CA ILE A 123 6.818 1.963 -0.428 1.00 0.00 C ATOM 1867 C ILE A 123 6.181 2.155 -1.800 1.00 0.00 C ATOM 1868 O ILE A 123 6.195 1.249 -2.635 1.00 0.00 O ATOM 1869 CB ILE A 123 5.711 1.704 0.611 1.00 0.00 C ATOM 1870 CG1 ILE A 123 6.321 1.240 1.936 1.00 0.00 C ATOM 1871 CG2 ILE A 123 4.721 0.676 0.088 1.00 0.00 C ATOM 1872 CD1 ILE A 123 5.344 1.235 3.090 1.00 0.00 C ATOM 0 H ILE A 123 7.319 3.609 0.769 1.00 0.00 H new ATOM 0 HA ILE A 123 7.483 1.100 -0.457 1.00 0.00 H new ATOM 0 HB ILE A 123 5.175 2.637 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 123 6.723 0.235 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 123 7.160 1.889 2.186 1.00 0.00 H new ATOM 0 HG21 ILE A 123 3.946 0.505 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 123 4.265 1.045 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.242 -0.260 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.850 0.895 3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.961 2.243 3.247 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.516 0.563 2.863 1.00 0.00 H new ATOM 1884 N LEU A 124 5.625 3.339 -2.028 1.00 0.00 N ATOM 1885 CA LEU A 124 5.038 3.673 -3.321 1.00 0.00 C ATOM 1886 C LEU A 124 6.118 3.801 -4.391 1.00 0.00 C ATOM 1887 O LEU A 124 5.897 3.463 -5.553 1.00 0.00 O ATOM 1888 CB LEU A 124 4.229 4.973 -3.218 1.00 0.00 C ATOM 1889 CG LEU A 124 2.942 4.877 -2.388 1.00 0.00 C ATOM 1890 CD1 LEU A 124 2.275 6.243 -2.300 1.00 0.00 C ATOM 1891 CD2 LEU A 124 2.005 3.859 -3.020 1.00 0.00 C ATOM 0 H LEU A 124 5.568 4.085 -1.334 1.00 0.00 H new ATOM 0 HA LEU A 124 4.367 2.865 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 124 4.865 5.745 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 124 3.970 5.302 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 124 3.184 4.550 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.362 6.165 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 124 2.955 6.950 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 124 2.029 6.593 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.091 3.791 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.760 4.171 -4.035 1.00 0.00 H new ATOM 0 HD23 LEU A 124 2.492 2.884 -3.048 1.00 0.00 H new ATOM 1903 N ASN A 125 7.287 4.289 -3.990 1.00 0.00 N ATOM 1904 CA ASN A 125 8.419 4.411 -4.902 1.00 0.00 C ATOM 1905 C ASN A 125 8.892 3.037 -5.366 1.00 0.00 C ATOM 1906 O ASN A 125 9.243 2.852 -6.531 1.00 0.00 O ATOM 1907 CB ASN A 125 9.565 5.177 -4.267 1.00 0.00 C ATOM 1908 CG ASN A 125 9.283 6.642 -4.081 1.00 0.00 C ATOM 1909 OD1 ASN A 125 8.333 7.190 -4.652 1.00 0.00 O ATOM 1910 ND2 ASN A 125 10.153 7.296 -3.352 1.00 0.00 N ATOM 0 H ASN A 125 7.476 4.607 -3.039 1.00 0.00 H new ATOM 0 HA ASN A 125 8.079 4.975 -5.771 1.00 0.00 H new ATOM 0 HB2 ASN A 125 9.793 4.734 -3.298 1.00 0.00 H new ATOM 0 HB3 ASN A 125 10.454 5.063 -4.887 1.00 0.00 H new ATOM 0 HD21 ASN A 125 10.064 8.305 -3.235 1.00 0.00 H new ATOM 0 HD22 ASN A 125 10.919 6.796 -2.902 1.00 0.00 H new ATOM 1917 N ASN A 126 8.899 2.077 -4.447 1.00 0.00 N ATOM 1918 CA ASN A 126 9.204 0.694 -4.790 1.00 0.00 C ATOM 1919 C ASN A 126 8.090 0.083 -5.635 1.00 0.00 C ATOM 1920 O ASN A 126 8.344 -0.730 -6.524 1.00 0.00 O ATOM 1921 CB ASN A 126 9.445 -0.147 -3.550 1.00 0.00 C ATOM 1922 CG ASN A 126 10.759 0.134 -2.873 1.00 0.00 C ATOM 1923 OD1 ASN A 126 11.679 0.704 -3.473 1.00 0.00 O ATOM 1924 ND2 ASN A 126 10.879 -0.332 -1.657 1.00 0.00 N ATOM 0 H ASN A 126 8.697 2.232 -3.459 1.00 0.00 H new ATOM 0 HA ASN A 126 10.123 0.700 -5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.636 0.028 -2.840 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.406 -1.201 -3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.763 -0.233 -1.158 1.00 0.00 H new ATOM 0 HD22 ASN A 126 10.088 -0.794 -1.208 1.00 0.00 H new ATOM 1931 N PHE A 127 6.854 0.481 -5.352 1.00 0.00 N ATOM 1932 CA PHE A 127 5.719 0.102 -6.184 1.00 0.00 C ATOM 1933 C PHE A 127 5.907 0.593 -7.617 1.00 0.00 C ATOM 1934 O PHE A 127 5.612 -0.124 -8.574 1.00 0.00 O ATOM 1935 CB PHE A 127 4.418 0.658 -5.600 1.00 0.00 C ATOM 1936 CG PHE A 127 3.185 0.207 -6.329 1.00 0.00 C ATOM 1937 CD1 PHE A 127 3.272 -0.705 -7.371 1.00 0.00 C ATOM 1938 CD2 PHE A 127 1.936 0.694 -5.976 1.00 0.00 C ATOM 1939 CE1 PHE A 127 2.138 -1.120 -8.043 1.00 0.00 C ATOM 1940 CE2 PHE A 127 0.800 0.279 -6.645 1.00 0.00 C ATOM 1941 CZ PHE A 127 0.902 -0.629 -7.680 1.00 0.00 C ATOM 0 H PHE A 127 6.613 1.066 -4.552 1.00 0.00 H new ATOM 0 HA PHE A 127 5.659 -0.986 -6.200 1.00 0.00 H new ATOM 0 HB2 PHE A 127 4.342 0.357 -4.555 1.00 0.00 H new ATOM 0 HB3 PHE A 127 4.460 1.747 -5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 127 4.237 -1.095 -7.660 1.00 0.00 H new ATOM 0 HD2 PHE A 127 1.850 1.406 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 127 2.220 -1.829 -8.853 1.00 0.00 H new ATOM 0 HE2 PHE A 127 -0.167 0.665 -6.358 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.015 -0.954 -8.204 1.00 0.00 H new ATOM 1951 N LYS A 128 6.399 1.819 -7.756 1.00 0.00 N ATOM 1952 CA LYS A 128 6.725 2.369 -9.066 1.00 0.00 C ATOM 1953 C LYS A 128 7.792 1.528 -9.759 1.00 0.00 C ATOM 1954 O LYS A 128 7.684 1.226 -10.947 1.00 0.00 O ATOM 1955 CB LYS A 128 7.193 3.819 -8.939 1.00 0.00 C ATOM 1956 CG LYS A 128 7.525 4.491 -10.265 1.00 0.00 C ATOM 1957 CD LYS A 128 7.837 5.968 -10.073 1.00 0.00 C ATOM 1958 CE LYS A 128 8.088 6.659 -11.405 1.00 0.00 C ATOM 1959 NZ LYS A 128 9.455 6.386 -11.925 1.00 0.00 N ATOM 0 H LYS A 128 6.581 2.451 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 128 5.821 2.346 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 128 6.416 4.396 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 128 8.075 3.849 -8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 128 8.379 3.993 -10.724 1.00 0.00 H new ATOM 0 HG3 LYS A 128 6.686 4.381 -10.951 1.00 0.00 H new ATOM 0 HD2 LYS A 128 7.007 6.453 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 128 8.713 6.076 -9.434 1.00 0.00 H new ATOM 0 HE2 LYS A 128 7.349 6.323 -12.133 1.00 0.00 H new ATOM 0 HE3 LYS A 128 7.953 7.734 -11.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 9.603 6.916 -12.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 10.160 6.683 -11.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 9.559 5.368 -12.111 1.00 0.00 H new ATOM 1973 N ARG A 129 8.823 1.152 -9.008 1.00 0.00 N ATOM 1974 CA ARG A 129 9.851 0.254 -9.517 1.00 0.00 C ATOM 1975 C ARG A 129 9.236 -1.044 -10.029 1.00 0.00 C ATOM 1976 O ARG A 129 9.629 -1.560 -11.076 1.00 0.00 O ATOM 1977 CB ARG A 129 10.943 -0.010 -8.489 1.00 0.00 C ATOM 1978 CG ARG A 129 12.054 -0.934 -8.961 1.00 0.00 C ATOM 1979 CD ARG A 129 12.958 -1.406 -7.881 1.00 0.00 C ATOM 1980 NE ARG A 129 12.343 -2.330 -6.941 1.00 0.00 N ATOM 1981 CZ ARG A 129 12.151 -3.643 -7.175 1.00 0.00 C ATOM 1982 NH1 ARG A 129 12.487 -4.182 -8.327 1.00 0.00 N ATOM 1983 NH2 ARG A 129 11.591 -4.371 -6.225 1.00 0.00 N ATOM 0 H ARG A 129 8.968 1.456 -8.045 1.00 0.00 H new ATOM 0 HA ARG A 129 10.330 0.753 -10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 129 11.383 0.943 -8.194 1.00 0.00 H new ATOM 0 HB3 ARG A 129 10.487 -0.440 -7.597 1.00 0.00 H new ATOM 0 HG2 ARG A 129 11.607 -1.800 -9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 129 12.647 -0.415 -9.714 1.00 0.00 H new ATOM 0 HD2 ARG A 129 13.823 -1.890 -8.334 1.00 0.00 H new ATOM 0 HD3 ARG A 129 13.329 -0.541 -7.331 1.00 0.00 H new ATOM 0 HE ARG A 129 12.036 -1.958 -6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 129 12.900 -3.604 -9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 129 12.335 -5.178 -8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 129 11.317 -3.936 -5.344 1.00 0.00 H new ATOM 0 HH22 ARG A 129 11.433 -5.368 -6.373 1.00 0.00 H new ATOM 1997 N HIS A 130 8.266 -1.568 -9.286 1.00 0.00 N ATOM 1998 CA HIS A 130 7.594 -2.804 -9.667 1.00 0.00 C ATOM 1999 C HIS A 130 6.819 -2.623 -10.969 1.00 0.00 C ATOM 2000 O HIS A 130 6.828 -3.496 -11.835 1.00 0.00 O ATOM 2001 CB HIS A 130 6.650 -3.275 -8.555 1.00 0.00 C ATOM 2002 CG HIS A 130 6.146 -4.671 -8.745 1.00 0.00 C ATOM 2003 ND1 HIS A 130 6.975 -5.773 -8.703 1.00 0.00 N ATOM 2004 CD2 HIS A 130 4.900 -5.146 -8.978 1.00 0.00 C ATOM 2005 CE1 HIS A 130 6.258 -6.867 -8.902 1.00 0.00 C ATOM 2006 NE2 HIS A 130 4.997 -6.512 -9.072 1.00 0.00 N ATOM 0 H HIS A 130 7.928 -1.155 -8.417 1.00 0.00 H new ATOM 0 HA HIS A 130 8.359 -3.565 -9.821 1.00 0.00 H new ATOM 0 HB2 HIS A 130 7.170 -3.213 -7.599 1.00 0.00 H new ATOM 0 HB3 HIS A 130 5.800 -2.595 -8.500 1.00 0.00 H new ATOM 0 HD2 HIS A 130 3.998 -4.560 -9.072 1.00 0.00 H new ATOM 0 HE1 HIS A 130 6.639 -7.878 -8.922 1.00 0.00 H new ATOM 0 HE2 HIS A 130 4.220 -7.150 -9.245 1.00 0.00 H new ATOM 2013 N VAL A 131 6.149 -1.482 -11.099 1.00 0.00 N ATOM 2014 CA VAL A 131 5.479 -1.127 -12.344 1.00 0.00 C ATOM 2015 C VAL A 131 6.474 -1.021 -13.494 1.00 0.00 C ATOM 2016 O VAL A 131 6.195 -1.458 -14.610 1.00 0.00 O ATOM 2017 CB VAL A 131 4.714 0.203 -12.214 1.00 0.00 C ATOM 2018 CG1 VAL A 131 4.212 0.664 -13.574 1.00 0.00 C ATOM 2019 CG2 VAL A 131 3.555 0.059 -11.240 1.00 0.00 C ATOM 0 H VAL A 131 6.056 -0.788 -10.357 1.00 0.00 H new ATOM 0 HA VAL A 131 4.767 -1.925 -12.557 1.00 0.00 H new ATOM 0 HB VAL A 131 5.399 0.957 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL A 131 3.674 1.605 -13.463 1.00 0.00 H new ATOM 0 HG12 VAL A 131 5.059 0.807 -14.245 1.00 0.00 H new ATOM 0 HG13 VAL A 131 3.543 -0.090 -13.990 1.00 0.00 H new ATOM 0 HG21 VAL A 131 3.026 1.009 -11.161 1.00 0.00 H new ATOM 0 HG22 VAL A 131 2.870 -0.709 -11.600 1.00 0.00 H new ATOM 0 HG23 VAL A 131 3.937 -0.226 -10.260 1.00 0.00 H new ATOM 2029 N GLU A 132 7.636 -0.441 -13.213 1.00 0.00 N ATOM 2030 CA GLU A 132 8.682 -0.298 -14.219 1.00 0.00 C ATOM 2031 C GLU A 132 9.186 -1.663 -14.677 1.00 0.00 C ATOM 2032 O GLU A 132 9.594 -1.833 -15.825 1.00 0.00 O ATOM 2033 CB GLU A 132 9.840 0.537 -13.673 1.00 0.00 C ATOM 2034 CG GLU A 132 9.533 2.021 -13.526 1.00 0.00 C ATOM 2035 CD GLU A 132 10.620 2.733 -12.771 1.00 0.00 C ATOM 2036 OE1 GLU A 132 11.532 2.080 -12.322 1.00 0.00 O ATOM 2037 OE2 GLU A 132 10.601 3.941 -12.740 1.00 0.00 O ATOM 0 H GLU A 132 7.877 -0.062 -12.297 1.00 0.00 H new ATOM 0 HA GLU A 132 8.255 0.217 -15.080 1.00 0.00 H new ATOM 0 HB2 GLU A 132 10.130 0.141 -12.700 1.00 0.00 H new ATOM 0 HB3 GLU A 132 10.699 0.420 -14.334 1.00 0.00 H new ATOM 0 HG2 GLU A 132 9.419 2.470 -14.513 1.00 0.00 H new ATOM 0 HG3 GLU A 132 8.583 2.148 -13.006 1.00 0.00 H new ATOM 2044 N SER A 133 9.153 -2.635 -13.770 1.00 0.00 N ATOM 2045 CA SER A 133 9.586 -3.991 -14.086 1.00 0.00 C ATOM 2046 C SER A 133 8.547 -4.704 -14.948 1.00 0.00 C ATOM 2047 O SER A 133 8.820 -5.756 -15.526 1.00 0.00 O ATOM 2048 CB SER A 133 9.843 -4.770 -12.811 1.00 0.00 C ATOM 2049 OG SER A 133 8.653 -5.121 -12.160 1.00 0.00 O ATOM 0 H SER A 133 8.831 -2.508 -12.811 1.00 0.00 H new ATOM 0 HA SER A 133 10.515 -3.933 -14.653 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.407 -5.672 -13.045 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.461 -4.173 -12.140 1.00 0.00 H new ATOM 0 HG SER A 133 7.958 -4.464 -12.373 1.00 0.00 H new ATOM 2055 N HIS A 134 7.355 -4.123 -15.029 1.00 0.00 N ATOM 2056 CA HIS A 134 6.300 -4.656 -15.883 1.00 0.00 C ATOM 2057 C HIS A 134 6.299 -3.960 -17.242 1.00 0.00 C ATOM 2058 O HIS A 134 5.347 -4.088 -18.015 1.00 0.00 O ATOM 2059 CB HIS A 134 4.930 -4.508 -15.214 1.00 0.00 C ATOM 2060 CG HIS A 134 4.743 -5.396 -14.023 1.00 0.00 C ATOM 2061 ND1 HIS A 134 4.760 -6.772 -14.111 1.00 0.00 N ATOM 2062 CD2 HIS A 134 4.534 -5.105 -12.718 1.00 0.00 C ATOM 2063 CE1 HIS A 134 4.570 -7.289 -12.910 1.00 0.00 C ATOM 2064 NE2 HIS A 134 4.430 -6.300 -12.048 1.00 0.00 N ATOM 0 H HIS A 134 7.095 -3.282 -14.513 1.00 0.00 H new ATOM 0 HA HIS A 134 6.498 -5.717 -16.036 1.00 0.00 H new ATOM 0 HB2 HIS A 134 4.795 -3.471 -14.907 1.00 0.00 H new ATOM 0 HB3 HIS A 134 4.153 -4.728 -15.946 1.00 0.00 H new ATOM 0 HD2 HIS A 134 4.462 -4.118 -12.284 1.00 0.00 H new ATOM 0 HE1 HIS A 134 4.535 -8.342 -12.674 1.00 0.00 H new ATOM 0 HE2 HIS A 134 4.270 -6.406 -11.046 1.00 0.00 H new