USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 778 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 47 MET CE :methyl -179:sc= -0.727 (180deg=-0.361) USER MOD Set 1.2: A 56 HIS : no HD1:sc= -1.4! C(o=-2.1!,f=-4.6!) USER MOD Set 2.1: A 38 GLN : amide:sc= -0.958 K(o=-4.2,f=-7.3!) USER MOD Set 2.2: A 77 MET CE :methyl 157:sc= -3.25! (180deg=-3.35) USER MOD Set 3.1: A 14 GLN : amide:sc= -0.221 X(o=-0.056,f=-0.48) USER MOD Set 3.2: A 96 ASN : amide:sc= 0.164 X(o=-0.056,f=-0.19) USER MOD Set 4.1: A 10 SER OG : rot -160:sc= 0 USER MOD Set 4.2: A 46 HIS : no HD1:sc= -0.48 K(o=-0.48,f=-1.4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0539 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 83:sc= 0.00901 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.45! C(o=-2.5!,f=-2.4!) USER MOD Single : A 45 THR OG1 : rot -149:sc= 0.0479 USER MOD Single : A 49 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0145) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 57 GLN : amide:sc= -0.0947 X(o=-0.095,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= -0.38 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -2.36 K(o=-2.4,f=-1.1) USER MOD Single : A 91 LYS NZ :NH3+ -157:sc= -0.471 (180deg=-1.61) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-9.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= 0.0883 K(o=0.088,f=-3.5!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 46:sc= 1.1 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.277 -4.158 10.198 1.00 0.00 N ATOM 2 CA GLY A 1 25.120 -3.441 9.259 1.00 0.00 C ATOM 3 C GLY A 1 25.134 -4.083 7.886 1.00 0.00 C ATOM 4 O GLY A 1 26.178 -4.531 7.413 1.00 0.00 O ATOM 0 H1 GLY A 1 24.301 -3.680 11.121 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.300 -4.176 9.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.625 -5.132 10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.769 -2.413 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.138 -3.399 9.648 1.00 0.00 H new ATOM 8 N SER A 2 23.971 -4.130 7.244 1.00 0.00 N ATOM 9 CA SER A 2 23.852 -4.727 5.919 1.00 0.00 C ATOM 10 C SER A 2 24.752 -4.010 4.918 1.00 0.00 C ATOM 11 O SER A 2 25.181 -2.880 5.150 1.00 0.00 O ATOM 12 CB SER A 2 22.399 -4.678 5.443 1.00 0.00 C ATOM 13 OG SER A 2 22.257 -5.294 4.175 1.00 0.00 O ATOM 0 H SER A 2 23.097 -3.762 7.620 1.00 0.00 H new ATOM 0 HA SER A 2 24.169 -5.768 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.758 -5.180 6.168 1.00 0.00 H new ATOM 0 HB3 SER A 2 22.066 -3.642 5.387 1.00 0.00 H new ATOM 0 HG SER A 2 21.319 -5.251 3.894 1.00 0.00 H new ATOM 19 N SER A 3 25.033 -4.676 3.802 1.00 0.00 N ATOM 20 CA SER A 3 25.885 -4.105 2.766 1.00 0.00 C ATOM 21 C SER A 3 25.175 -4.108 1.416 1.00 0.00 C ATOM 22 O SER A 3 24.737 -5.152 0.934 1.00 0.00 O ATOM 23 CB SER A 3 27.197 -4.887 2.666 1.00 0.00 C ATOM 24 OG SER A 3 28.087 -4.526 3.707 1.00 0.00 O ATOM 0 H SER A 3 24.683 -5.611 3.593 1.00 0.00 H new ATOM 0 HA SER A 3 26.105 -3.073 3.040 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.991 -5.956 2.714 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.665 -4.696 1.700 1.00 0.00 H new ATOM 0 HG SER A 3 28.916 -5.041 3.621 1.00 0.00 H new ATOM 30 N GLY A 4 25.063 -2.929 0.810 1.00 0.00 N ATOM 31 CA GLY A 4 24.405 -2.816 -0.478 1.00 0.00 C ATOM 32 C GLY A 4 22.915 -2.571 -0.348 1.00 0.00 C ATOM 33 O GLY A 4 22.117 -3.150 -1.085 1.00 0.00 O ATOM 0 H GLY A 4 25.417 -2.050 1.189 1.00 0.00 H new ATOM 0 HA2 GLY A 4 24.856 -2.000 -1.043 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.571 -3.729 -1.049 1.00 0.00 H new ATOM 37 N SER A 5 22.538 -1.712 0.594 1.00 0.00 N ATOM 38 CA SER A 5 21.132 -1.396 0.822 1.00 0.00 C ATOM 39 C SER A 5 20.519 -0.730 -0.406 1.00 0.00 C ATOM 40 O SER A 5 20.514 0.495 -0.524 1.00 0.00 O ATOM 41 CB SER A 5 20.985 -0.481 2.039 1.00 0.00 C ATOM 42 OG SER A 5 21.143 -1.208 3.245 1.00 0.00 O ATOM 0 H SER A 5 23.186 -1.223 1.211 1.00 0.00 H new ATOM 0 HA SER A 5 20.601 -2.329 1.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 21.727 0.316 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.005 -0.005 2.024 1.00 0.00 H new ATOM 0 HG SER A 5 21.046 -0.601 4.008 1.00 0.00 H new ATOM 48 N SER A 6 20.003 -1.547 -1.319 1.00 0.00 N ATOM 49 CA SER A 6 19.390 -1.039 -2.541 1.00 0.00 C ATOM 50 C SER A 6 17.954 -0.595 -2.284 1.00 0.00 C ATOM 51 O SER A 6 17.012 -1.367 -2.459 1.00 0.00 O ATOM 52 CB SER A 6 19.418 -2.109 -3.634 1.00 0.00 C ATOM 53 OG SER A 6 19.027 -1.571 -4.885 1.00 0.00 O ATOM 0 H SER A 6 19.997 -2.564 -1.236 1.00 0.00 H new ATOM 0 HA SER A 6 19.965 -0.175 -2.874 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.422 -2.527 -3.712 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.752 -2.928 -3.363 1.00 0.00 H new ATOM 0 HG SER A 6 19.055 -2.274 -5.567 1.00 0.00 H new ATOM 59 N GLY A 7 17.793 0.657 -1.866 1.00 0.00 N ATOM 60 CA GLY A 7 16.469 1.184 -1.591 1.00 0.00 C ATOM 61 C GLY A 7 16.476 2.683 -1.368 1.00 0.00 C ATOM 62 O GLY A 7 17.422 3.246 -0.816 1.00 0.00 O ATOM 0 H GLY A 7 18.556 1.316 -1.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.807 0.947 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.061 0.691 -0.709 1.00 0.00 H new ATOM 66 N PRO A 8 15.402 3.356 -1.806 1.00 0.00 N ATOM 67 CA PRO A 8 15.264 4.808 -1.663 1.00 0.00 C ATOM 68 C PRO A 8 15.060 5.231 -0.213 1.00 0.00 C ATOM 69 O PRO A 8 14.360 4.560 0.546 1.00 0.00 O ATOM 70 CB PRO A 8 14.020 5.130 -2.495 1.00 0.00 C ATOM 71 CG PRO A 8 13.231 3.866 -2.501 1.00 0.00 C ATOM 72 CD PRO A 8 14.237 2.749 -2.474 1.00 0.00 C ATOM 0 HA PRO A 8 16.160 5.337 -1.989 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.451 5.950 -2.056 1.00 0.00 H new ATOM 0 HB3 PRO A 8 14.288 5.434 -3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 8 12.569 3.815 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 8 12.602 3.803 -3.389 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.864 1.885 -1.924 1.00 0.00 H new ATOM 0 HD3 PRO A 8 14.483 2.406 -3.479 1.00 0.00 H new ATOM 80 N ILE A 9 15.674 6.347 0.165 1.00 0.00 N ATOM 81 CA ILE A 9 15.557 6.860 1.524 1.00 0.00 C ATOM 82 C ILE A 9 14.105 6.859 1.990 1.00 0.00 C ATOM 83 O ILE A 9 13.227 7.401 1.318 1.00 0.00 O ATOM 84 CB ILE A 9 16.119 8.289 1.637 1.00 0.00 C ATOM 85 CG1 ILE A 9 17.595 8.313 1.234 1.00 0.00 C ATOM 86 CG2 ILE A 9 15.943 8.818 3.053 1.00 0.00 C ATOM 87 CD1 ILE A 9 18.110 9.698 0.909 1.00 0.00 C ATOM 0 H ILE A 9 16.258 6.913 -0.451 1.00 0.00 H new ATOM 0 HA ILE A 9 16.141 6.197 2.162 1.00 0.00 H new ATOM 0 HB ILE A 9 15.565 8.936 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 9 18.191 7.893 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 9 17.737 7.668 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 9 16.345 9.829 3.116 1.00 0.00 H new ATOM 0 HG22 ILE A 9 14.883 8.833 3.307 1.00 0.00 H new ATOM 0 HG23 ILE A 9 16.474 8.172 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 9 19.163 9.639 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 9 17.539 10.113 0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 9 18.000 10.341 1.782 1.00 0.00 H new ATOM 99 N SER A 10 13.859 6.249 3.145 1.00 0.00 N ATOM 100 CA SER A 10 12.513 6.176 3.700 1.00 0.00 C ATOM 101 C SER A 10 12.187 7.431 4.503 1.00 0.00 C ATOM 102 O SER A 10 11.611 7.355 5.587 1.00 0.00 O ATOM 103 CB SER A 10 12.371 4.938 4.587 1.00 0.00 C ATOM 104 OG SER A 10 12.109 3.781 3.811 1.00 0.00 O ATOM 0 H SER A 10 14.575 5.798 3.715 1.00 0.00 H new ATOM 0 HA SER A 10 11.809 6.103 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.285 4.793 5.164 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.563 5.090 5.303 1.00 0.00 H new ATOM 0 HG SER A 10 11.715 3.087 4.381 1.00 0.00 H new ATOM 110 N GLU A 11 12.561 8.586 3.961 1.00 0.00 N ATOM 111 CA GLU A 11 12.310 9.859 4.627 1.00 0.00 C ATOM 112 C GLU A 11 11.087 10.552 4.034 1.00 0.00 C ATOM 113 O GLU A 11 10.248 11.085 4.760 1.00 0.00 O ATOM 114 CB GLU A 11 13.533 10.771 4.512 1.00 0.00 C ATOM 115 CG GLU A 11 13.497 11.960 5.457 1.00 0.00 C ATOM 116 CD GLU A 11 13.846 11.582 6.883 1.00 0.00 C ATOM 117 OE1 GLU A 11 14.782 10.779 7.073 1.00 0.00 O ATOM 118 OE2 GLU A 11 13.181 12.092 7.810 1.00 0.00 O ATOM 0 H GLU A 11 13.038 8.666 3.063 1.00 0.00 H new ATOM 0 HA GLU A 11 12.116 9.656 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.431 10.187 4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.610 11.134 3.487 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.195 12.720 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.503 12.406 5.436 1.00 0.00 H new ATOM 125 N ARG A 12 10.994 10.541 2.708 1.00 0.00 N ATOM 126 CA ARG A 12 9.876 11.170 2.015 1.00 0.00 C ATOM 127 C ARG A 12 8.973 10.119 1.374 1.00 0.00 C ATOM 128 O ARG A 12 9.264 8.925 1.422 1.00 0.00 O ATOM 129 CB ARG A 12 10.388 12.138 0.947 1.00 0.00 C ATOM 130 CG ARG A 12 11.165 13.315 1.515 1.00 0.00 C ATOM 131 CD ARG A 12 11.200 14.481 0.539 1.00 0.00 C ATOM 132 NE ARG A 12 9.862 14.982 0.236 1.00 0.00 N ATOM 133 CZ ARG A 12 9.601 15.827 -0.755 1.00 0.00 C ATOM 134 NH1 ARG A 12 10.581 16.263 -1.535 1.00 0.00 N ATOM 135 NH2 ARG A 12 8.357 16.237 -0.968 1.00 0.00 N ATOM 0 H ARG A 12 11.679 10.103 2.092 1.00 0.00 H new ATOM 0 HA ARG A 12 9.293 11.726 2.749 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.026 11.594 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.541 12.515 0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.709 13.636 2.451 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.183 13.003 1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.802 15.287 0.959 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.687 14.166 -0.384 1.00 0.00 H new ATOM 0 HE ARG A 12 9.086 14.666 0.817 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.538 15.949 -1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.377 16.912 -2.295 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.601 15.903 -0.371 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.157 16.886 -1.729 1.00 0.00 H new ATOM 149 N ASN A 13 7.877 10.574 0.775 1.00 0.00 N ATOM 150 CA ASN A 13 6.932 9.674 0.126 1.00 0.00 C ATOM 151 C ASN A 13 6.522 8.544 1.066 1.00 0.00 C ATOM 152 O ASN A 13 6.411 7.390 0.653 1.00 0.00 O ATOM 153 CB ASN A 13 7.544 9.093 -1.151 1.00 0.00 C ATOM 154 CG ASN A 13 8.186 10.157 -2.020 1.00 0.00 C ATOM 155 OD1 ASN A 13 9.404 10.180 -2.194 1.00 0.00 O ATOM 156 ND2 ASN A 13 7.366 11.045 -2.571 1.00 0.00 N ATOM 0 H ASN A 13 7.622 11.560 0.726 1.00 0.00 H new ATOM 0 HA ASN A 13 6.042 10.248 -0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.291 8.345 -0.885 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.769 8.581 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.740 11.784 -3.166 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.362 10.988 -2.399 1.00 0.00 H new ATOM 163 N GLN A 14 6.299 8.886 2.331 1.00 0.00 N ATOM 164 CA GLN A 14 5.902 7.901 3.329 1.00 0.00 C ATOM 165 C GLN A 14 4.452 7.474 3.126 1.00 0.00 C ATOM 166 O GLN A 14 4.126 6.290 3.210 1.00 0.00 O ATOM 167 CB GLN A 14 6.086 8.468 4.738 1.00 0.00 C ATOM 168 CG GLN A 14 6.320 7.403 5.797 1.00 0.00 C ATOM 169 CD GLN A 14 6.432 7.984 7.193 1.00 0.00 C ATOM 170 OE1 GLN A 14 6.243 9.183 7.396 1.00 0.00 O ATOM 171 NE2 GLN A 14 6.740 7.133 8.165 1.00 0.00 N ATOM 0 H GLN A 14 6.387 9.837 2.688 1.00 0.00 H new ATOM 0 HA GLN A 14 6.540 7.025 3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.930 9.158 4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.202 9.047 5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.501 6.684 5.771 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.232 6.855 5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.888 6.147 7.951 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.828 7.466 9.125 1.00 0.00 H new ATOM 180 N ASP A 15 3.586 8.445 2.859 1.00 0.00 N ATOM 181 CA ASP A 15 2.171 8.170 2.643 1.00 0.00 C ATOM 182 C ASP A 15 1.985 6.997 1.686 1.00 0.00 C ATOM 183 O ASP A 15 1.111 6.153 1.884 1.00 0.00 O ATOM 184 CB ASP A 15 1.466 9.410 2.091 1.00 0.00 C ATOM 185 CG ASP A 15 2.297 10.132 1.048 1.00 0.00 C ATOM 186 OD1 ASP A 15 3.235 10.860 1.435 1.00 0.00 O ATOM 187 OD2 ASP A 15 2.010 9.968 -0.156 1.00 0.00 O ATOM 0 H ASP A 15 3.840 9.430 2.787 1.00 0.00 H new ATOM 0 HA ASP A 15 1.728 7.907 3.603 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.512 9.117 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.243 10.093 2.911 1.00 0.00 H new ATOM 192 N ALA A 16 2.813 6.950 0.647 1.00 0.00 N ATOM 193 CA ALA A 16 2.741 5.880 -0.340 1.00 0.00 C ATOM 194 C ALA A 16 3.474 4.635 0.146 1.00 0.00 C ATOM 195 O ALA A 16 4.155 3.960 -0.627 1.00 0.00 O ATOM 196 CB ALA A 16 3.316 6.348 -1.669 1.00 0.00 C ATOM 0 H ALA A 16 3.542 7.641 0.467 1.00 0.00 H new ATOM 0 HA ALA A 16 1.692 5.620 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.256 5.539 -2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.747 7.204 -2.031 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.358 6.637 -1.533 1.00 0.00 H new ATOM 202 N THR A 17 3.330 4.334 1.433 1.00 0.00 N ATOM 203 CA THR A 17 3.980 3.170 2.023 1.00 0.00 C ATOM 204 C THR A 17 3.053 2.461 3.004 1.00 0.00 C ATOM 205 O THR A 17 2.206 3.090 3.638 1.00 0.00 O ATOM 206 CB THR A 17 5.279 3.562 2.753 1.00 0.00 C ATOM 207 OG1 THR A 17 6.107 4.349 1.891 1.00 0.00 O ATOM 208 CG2 THR A 17 6.040 2.324 3.204 1.00 0.00 C ATOM 0 H THR A 17 2.769 4.880 2.087 1.00 0.00 H new ATOM 0 HA THR A 17 4.223 2.494 1.203 1.00 0.00 H new ATOM 0 HB THR A 17 5.013 4.147 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.812 5.283 1.917 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.953 2.625 3.717 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.418 1.742 3.883 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.295 1.717 2.335 1.00 0.00 H new ATOM 216 N VAL A 18 3.220 1.148 3.125 1.00 0.00 N ATOM 217 CA VAL A 18 2.399 0.353 4.030 1.00 0.00 C ATOM 218 C VAL A 18 3.242 -0.252 5.148 1.00 0.00 C ATOM 219 O VAL A 18 4.401 -0.611 4.940 1.00 0.00 O ATOM 220 CB VAL A 18 1.671 -0.779 3.281 1.00 0.00 C ATOM 221 CG1 VAL A 18 1.148 -0.282 1.942 1.00 0.00 C ATOM 222 CG2 VAL A 18 2.595 -1.972 3.092 1.00 0.00 C ATOM 0 H VAL A 18 3.917 0.612 2.607 1.00 0.00 H new ATOM 0 HA VAL A 18 1.659 1.028 4.460 1.00 0.00 H new ATOM 0 HB VAL A 18 0.819 -1.100 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.637 -1.095 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.450 0.539 2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.982 0.066 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.065 -2.763 2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.467 -1.668 2.513 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.916 -2.341 4.066 1.00 0.00 H new ATOM 232 N TYR A 19 2.651 -0.362 6.333 1.00 0.00 N ATOM 233 CA TYR A 19 3.348 -0.922 7.485 1.00 0.00 C ATOM 234 C TYR A 19 3.012 -2.400 7.659 1.00 0.00 C ATOM 235 O TYR A 19 1.939 -2.751 8.148 1.00 0.00 O ATOM 236 CB TYR A 19 2.981 -0.151 8.754 1.00 0.00 C ATOM 237 CG TYR A 19 3.861 -0.479 9.938 1.00 0.00 C ATOM 238 CD1 TYR A 19 3.891 -1.761 10.472 1.00 0.00 C ATOM 239 CD2 TYR A 19 4.663 0.493 10.523 1.00 0.00 C ATOM 240 CE1 TYR A 19 4.693 -2.066 11.555 1.00 0.00 C ATOM 241 CE2 TYR A 19 5.470 0.197 11.605 1.00 0.00 C ATOM 242 CZ TYR A 19 5.481 -1.083 12.117 1.00 0.00 C ATOM 243 OH TYR A 19 6.282 -1.382 13.196 1.00 0.00 O ATOM 0 H TYR A 19 1.692 -0.071 6.521 1.00 0.00 H new ATOM 0 HA TYR A 19 4.420 -0.830 7.309 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.044 0.918 8.550 1.00 0.00 H new ATOM 0 HB3 TYR A 19 1.944 -0.366 9.012 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.277 -2.533 10.033 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.656 1.497 10.125 1.00 0.00 H new ATOM 0 HE1 TYR A 19 4.703 -3.068 11.959 1.00 0.00 H new ATOM 0 HE2 TYR A 19 6.089 0.964 12.047 1.00 0.00 H new ATOM 0 HH TYR A 19 6.773 -0.580 13.471 1.00 0.00 H new ATOM 253 N VAL A 20 3.940 -3.262 7.255 1.00 0.00 N ATOM 254 CA VAL A 20 3.745 -4.702 7.367 1.00 0.00 C ATOM 255 C VAL A 20 4.323 -5.235 8.673 1.00 0.00 C ATOM 256 O VAL A 20 5.511 -5.075 8.949 1.00 0.00 O ATOM 257 CB VAL A 20 4.395 -5.450 6.188 1.00 0.00 C ATOM 258 CG1 VAL A 20 4.015 -6.923 6.215 1.00 0.00 C ATOM 259 CG2 VAL A 20 3.994 -4.812 4.867 1.00 0.00 C ATOM 0 H VAL A 20 4.834 -2.988 6.847 1.00 0.00 H new ATOM 0 HA VAL A 20 2.669 -4.878 7.350 1.00 0.00 H new ATOM 0 HB VAL A 20 5.478 -5.377 6.287 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.484 -7.435 5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 20 4.357 -7.370 7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.932 -7.021 6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.462 -5.353 4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.910 -4.852 4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.322 -3.773 4.851 1.00 0.00 H new ATOM 269 N GLY A 21 3.473 -5.870 9.475 1.00 0.00 N ATOM 270 CA GLY A 21 3.918 -6.418 10.743 1.00 0.00 C ATOM 271 C GLY A 21 3.438 -7.839 10.962 1.00 0.00 C ATOM 272 O GLY A 21 2.237 -8.091 11.041 1.00 0.00 O ATOM 0 H GLY A 21 2.485 -6.014 9.269 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.007 -6.396 10.783 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.557 -5.787 11.555 1.00 0.00 H new ATOM 276 N GLY A 22 4.381 -8.772 11.056 1.00 0.00 N ATOM 277 CA GLY A 22 4.028 -10.164 11.264 1.00 0.00 C ATOM 278 C GLY A 22 4.346 -11.029 10.060 1.00 0.00 C ATOM 279 O GLY A 22 3.526 -11.847 9.639 1.00 0.00 O ATOM 0 H GLY A 22 5.382 -8.589 10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.564 -10.545 12.133 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.964 -10.236 11.488 1.00 0.00 H new ATOM 283 N LEU A 23 5.537 -10.847 9.502 1.00 0.00 N ATOM 284 CA LEU A 23 5.962 -11.616 8.337 1.00 0.00 C ATOM 285 C LEU A 23 6.709 -12.877 8.759 1.00 0.00 C ATOM 286 O LEU A 23 7.557 -12.839 9.650 1.00 0.00 O ATOM 287 CB LEU A 23 6.852 -10.761 7.433 1.00 0.00 C ATOM 288 CG LEU A 23 6.223 -9.475 6.895 1.00 0.00 C ATOM 289 CD1 LEU A 23 7.299 -8.523 6.396 1.00 0.00 C ATOM 290 CD2 LEU A 23 5.231 -9.790 5.785 1.00 0.00 C ATOM 0 H LEU A 23 6.226 -10.174 9.837 1.00 0.00 H new ATOM 0 HA LEU A 23 5.071 -11.912 7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.752 -10.497 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.167 -11.370 6.586 1.00 0.00 H new ATOM 0 HG LEU A 23 5.685 -8.989 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.833 -7.614 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.971 -8.271 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.865 -9.001 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.793 -8.863 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.746 -10.299 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.442 -10.434 6.174 1.00 0.00 H new ATOM 302 N ASP A 24 6.389 -13.993 8.112 1.00 0.00 N ATOM 303 CA ASP A 24 7.032 -15.265 8.418 1.00 0.00 C ATOM 304 C ASP A 24 8.454 -15.302 7.867 1.00 0.00 C ATOM 305 O ASP A 24 8.791 -14.559 6.946 1.00 0.00 O ATOM 306 CB ASP A 24 6.218 -16.424 7.841 1.00 0.00 C ATOM 307 CG ASP A 24 6.665 -17.770 8.378 1.00 0.00 C ATOM 308 OD1 ASP A 24 6.169 -18.175 9.450 1.00 0.00 O ATOM 309 OD2 ASP A 24 7.510 -18.417 7.726 1.00 0.00 O ATOM 0 H ASP A 24 5.688 -14.042 7.373 1.00 0.00 H new ATOM 0 HA ASP A 24 7.079 -15.368 9.502 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.164 -16.275 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.308 -16.422 6.755 1.00 0.00 H new ATOM 314 N GLU A 25 9.283 -16.170 8.439 1.00 0.00 N ATOM 315 CA GLU A 25 10.669 -16.301 8.006 1.00 0.00 C ATOM 316 C GLU A 25 10.756 -16.401 6.485 1.00 0.00 C ATOM 317 O GLU A 25 11.645 -15.818 5.863 1.00 0.00 O ATOM 318 CB GLU A 25 11.313 -17.532 8.646 1.00 0.00 C ATOM 319 CG GLU A 25 10.558 -18.823 8.377 1.00 0.00 C ATOM 320 CD GLU A 25 11.379 -20.057 8.700 1.00 0.00 C ATOM 321 OE1 GLU A 25 12.624 -19.973 8.637 1.00 0.00 O ATOM 322 OE2 GLU A 25 10.778 -21.104 9.016 1.00 0.00 O ATOM 0 H GLU A 25 9.019 -16.792 9.203 1.00 0.00 H new ATOM 0 HA GLU A 25 11.209 -15.410 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.333 -17.633 8.274 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.380 -17.378 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.643 -18.835 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.260 -18.854 7.329 1.00 0.00 H new ATOM 329 N LYS A 26 9.828 -17.144 5.893 1.00 0.00 N ATOM 330 CA LYS A 26 9.798 -17.322 4.446 1.00 0.00 C ATOM 331 C LYS A 26 9.744 -15.974 3.734 1.00 0.00 C ATOM 332 O LYS A 26 10.521 -15.714 2.815 1.00 0.00 O ATOM 333 CB LYS A 26 8.593 -18.174 4.041 1.00 0.00 C ATOM 334 CG LYS A 26 8.768 -19.654 4.333 1.00 0.00 C ATOM 335 CD LYS A 26 8.013 -20.513 3.332 1.00 0.00 C ATOM 336 CE LYS A 26 6.530 -20.577 3.660 1.00 0.00 C ATOM 337 NZ LYS A 26 5.922 -21.866 3.230 1.00 0.00 N ATOM 0 H LYS A 26 9.086 -17.633 6.393 1.00 0.00 H new ATOM 0 HA LYS A 26 10.713 -17.834 4.148 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.709 -17.811 4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.407 -18.042 2.975 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.828 -19.908 4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.414 -19.871 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.148 -20.108 2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.430 -21.520 3.328 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.390 -20.450 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.014 -19.751 3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.910 -21.870 3.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.033 -21.976 2.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.397 -22.653 3.716 1.00 0.00 H new ATOM 351 N VAL A 27 8.821 -15.119 4.164 1.00 0.00 N ATOM 352 CA VAL A 27 8.668 -13.797 3.568 1.00 0.00 C ATOM 353 C VAL A 27 10.021 -13.197 3.206 1.00 0.00 C ATOM 354 O VAL A 27 10.981 -13.296 3.971 1.00 0.00 O ATOM 355 CB VAL A 27 7.931 -12.835 4.519 1.00 0.00 C ATOM 356 CG1 VAL A 27 7.837 -11.446 3.907 1.00 0.00 C ATOM 357 CG2 VAL A 27 6.548 -13.374 4.854 1.00 0.00 C ATOM 0 H VAL A 27 8.169 -15.318 4.922 1.00 0.00 H new ATOM 0 HA VAL A 27 8.077 -13.925 2.661 1.00 0.00 H new ATOM 0 HB VAL A 27 8.501 -12.759 5.445 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.313 -10.781 4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.840 -11.061 3.723 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.290 -11.499 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.041 -12.682 5.527 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.967 -13.480 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.644 -14.346 5.338 1.00 0.00 H new ATOM 367 N SER A 28 10.092 -12.574 2.034 1.00 0.00 N ATOM 368 CA SER A 28 11.330 -11.960 1.567 1.00 0.00 C ATOM 369 C SER A 28 11.064 -10.572 0.993 1.00 0.00 C ATOM 370 O SER A 28 9.916 -10.189 0.774 1.00 0.00 O ATOM 371 CB SER A 28 11.995 -12.844 0.510 1.00 0.00 C ATOM 372 OG SER A 28 13.407 -12.783 0.610 1.00 0.00 O ATOM 0 H SER A 28 9.306 -12.481 1.390 1.00 0.00 H new ATOM 0 HA SER A 28 12.002 -11.859 2.420 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.663 -13.875 0.632 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.683 -12.524 -0.484 1.00 0.00 H new ATOM 0 HG SER A 28 13.809 -13.358 -0.075 1.00 0.00 H new ATOM 378 N GLU A 29 12.136 -9.824 0.751 1.00 0.00 N ATOM 379 CA GLU A 29 12.020 -8.478 0.203 1.00 0.00 C ATOM 380 C GLU A 29 11.364 -8.506 -1.175 1.00 0.00 C ATOM 381 O GLU A 29 10.342 -7.864 -1.417 1.00 0.00 O ATOM 382 CB GLU A 29 13.398 -7.820 0.110 1.00 0.00 C ATOM 383 CG GLU A 29 13.758 -6.987 1.329 1.00 0.00 C ATOM 384 CD GLU A 29 15.248 -6.976 1.609 1.00 0.00 C ATOM 385 OE1 GLU A 29 15.959 -7.853 1.075 1.00 0.00 O ATOM 386 OE2 GLU A 29 15.704 -6.090 2.362 1.00 0.00 O ATOM 0 H GLU A 29 13.094 -10.127 0.926 1.00 0.00 H new ATOM 0 HA GLU A 29 11.391 -7.894 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.153 -8.595 -0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.429 -7.185 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.413 -5.964 1.180 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.231 -7.378 2.200 1.00 0.00 H new ATOM 393 N PRO A 30 11.966 -9.268 -2.100 1.00 0.00 N ATOM 394 CA PRO A 30 11.458 -9.399 -3.469 1.00 0.00 C ATOM 395 C PRO A 30 10.152 -10.184 -3.531 1.00 0.00 C ATOM 396 O PRO A 30 9.627 -10.451 -4.613 1.00 0.00 O ATOM 397 CB PRO A 30 12.574 -10.160 -4.190 1.00 0.00 C ATOM 398 CG PRO A 30 13.271 -10.919 -3.114 1.00 0.00 C ATOM 399 CD PRO A 30 13.187 -10.061 -1.881 1.00 0.00 C ATOM 0 HA PRO A 30 11.228 -8.430 -3.912 1.00 0.00 H new ATOM 0 HB2 PRO A 30 12.170 -10.830 -4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 30 13.255 -9.477 -4.698 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.797 -11.887 -2.949 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.309 -11.114 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 30 13.117 -10.664 -0.976 1.00 0.00 H new ATOM 0 HD3 PRO A 30 14.066 -9.425 -1.773 1.00 0.00 H new ATOM 407 N LEU A 31 9.633 -10.551 -2.365 1.00 0.00 N ATOM 408 CA LEU A 31 8.387 -11.305 -2.286 1.00 0.00 C ATOM 409 C LEU A 31 7.190 -10.368 -2.161 1.00 0.00 C ATOM 410 O LEU A 31 6.204 -10.502 -2.887 1.00 0.00 O ATOM 411 CB LEU A 31 8.423 -12.266 -1.096 1.00 0.00 C ATOM 412 CG LEU A 31 7.177 -13.127 -0.890 1.00 0.00 C ATOM 413 CD1 LEU A 31 6.967 -14.056 -2.077 1.00 0.00 C ATOM 414 CD2 LEU A 31 7.288 -13.926 0.401 1.00 0.00 C ATOM 0 H LEU A 31 10.056 -10.339 -1.461 1.00 0.00 H new ATOM 0 HA LEU A 31 8.281 -11.880 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.281 -12.927 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.592 -11.684 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 31 6.312 -12.468 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.075 -14.661 -1.912 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.842 -13.465 -2.984 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.833 -14.709 -2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.392 -14.533 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.162 -14.575 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.389 -13.243 1.244 1.00 0.00 H new ATOM 426 N LEU A 32 7.283 -9.419 -1.236 1.00 0.00 N ATOM 427 CA LEU A 32 6.208 -8.457 -1.017 1.00 0.00 C ATOM 428 C LEU A 32 5.930 -7.653 -2.283 1.00 0.00 C ATOM 429 O LEU A 32 4.775 -7.413 -2.636 1.00 0.00 O ATOM 430 CB LEU A 32 6.569 -7.512 0.131 1.00 0.00 C ATOM 431 CG LEU A 32 7.169 -8.167 1.376 1.00 0.00 C ATOM 432 CD1 LEU A 32 7.491 -7.118 2.429 1.00 0.00 C ATOM 433 CD2 LEU A 32 6.220 -9.216 1.937 1.00 0.00 C ATOM 0 H LEU A 32 8.091 -9.295 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 32 5.306 -9.011 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.277 -6.772 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.670 -6.972 0.427 1.00 0.00 H new ATOM 0 HG LEU A 32 8.097 -8.662 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.917 -7.603 3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 32 8.209 -6.405 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.578 -6.593 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.663 -9.671 2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.275 -8.745 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.041 -9.984 1.185 1.00 0.00 H new ATOM 445 N TRP A 33 6.994 -7.242 -2.962 1.00 0.00 N ATOM 446 CA TRP A 33 6.864 -6.467 -4.191 1.00 0.00 C ATOM 447 C TRP A 33 5.753 -7.027 -5.072 1.00 0.00 C ATOM 448 O TRP A 33 4.700 -6.408 -5.226 1.00 0.00 O ATOM 449 CB TRP A 33 8.187 -6.464 -4.959 1.00 0.00 C ATOM 450 CG TRP A 33 8.325 -5.305 -5.900 1.00 0.00 C ATOM 451 CD1 TRP A 33 7.376 -4.831 -6.759 1.00 0.00 C ATOM 452 CD2 TRP A 33 9.480 -4.478 -6.077 1.00 0.00 C ATOM 453 NE1 TRP A 33 7.871 -3.758 -7.460 1.00 0.00 N ATOM 454 CE2 TRP A 33 9.159 -3.521 -7.059 1.00 0.00 C ATOM 455 CE3 TRP A 33 10.752 -4.451 -5.500 1.00 0.00 C ATOM 456 CZ2 TRP A 33 10.066 -2.550 -7.476 1.00 0.00 C ATOM 457 CZ3 TRP A 33 11.651 -3.487 -5.915 1.00 0.00 C ATOM 458 CH2 TRP A 33 11.305 -2.547 -6.895 1.00 0.00 C ATOM 0 H TRP A 33 7.957 -7.432 -2.683 1.00 0.00 H new ATOM 0 HA TRP A 33 6.607 -5.443 -3.920 1.00 0.00 H new ATOM 0 HB2 TRP A 33 9.012 -6.445 -4.247 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.274 -7.393 -5.523 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.382 -5.239 -6.871 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.362 -3.224 -8.165 1.00 0.00 H new ATOM 0 HE3 TRP A 33 11.028 -5.171 -4.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.801 -1.825 -8.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 12.637 -3.458 -5.476 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.030 -1.806 -7.198 1.00 0.00 H new ATOM 469 N GLU A 34 5.994 -8.200 -5.649 1.00 0.00 N ATOM 470 CA GLU A 34 5.012 -8.842 -6.515 1.00 0.00 C ATOM 471 C GLU A 34 3.717 -9.120 -5.757 1.00 0.00 C ATOM 472 O GLU A 34 2.625 -8.820 -6.241 1.00 0.00 O ATOM 473 CB GLU A 34 5.575 -10.147 -7.082 1.00 0.00 C ATOM 474 CG GLU A 34 6.608 -9.939 -8.176 1.00 0.00 C ATOM 475 CD GLU A 34 7.294 -11.229 -8.583 1.00 0.00 C ATOM 476 OE1 GLU A 34 8.201 -11.676 -7.851 1.00 0.00 O ATOM 477 OE2 GLU A 34 6.922 -11.792 -9.634 1.00 0.00 O ATOM 0 H GLU A 34 6.861 -8.725 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 34 4.792 -8.162 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.026 -10.720 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.754 -10.745 -7.478 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.125 -9.498 -9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.357 -9.226 -7.832 1.00 0.00 H new ATOM 484 N LEU A 35 3.848 -9.695 -4.567 1.00 0.00 N ATOM 485 CA LEU A 35 2.689 -10.015 -3.741 1.00 0.00 C ATOM 486 C LEU A 35 1.805 -8.788 -3.544 1.00 0.00 C ATOM 487 O LEU A 35 0.594 -8.906 -3.351 1.00 0.00 O ATOM 488 CB LEU A 35 3.139 -10.557 -2.383 1.00 0.00 C ATOM 489 CG LEU A 35 2.078 -10.576 -1.282 1.00 0.00 C ATOM 490 CD1 LEU A 35 0.996 -11.595 -1.601 1.00 0.00 C ATOM 491 CD2 LEU A 35 2.715 -10.875 0.067 1.00 0.00 C ATOM 0 H LEU A 35 4.745 -9.949 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 35 2.108 -10.780 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.506 -11.574 -2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.982 -9.959 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 35 1.616 -9.590 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.250 -11.594 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.519 -11.336 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.442 -12.587 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.945 -10.885 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.204 -11.848 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.452 -10.107 0.300 1.00 0.00 H new ATOM 503 N PHE A 36 2.417 -7.610 -3.595 1.00 0.00 N ATOM 504 CA PHE A 36 1.686 -6.360 -3.424 1.00 0.00 C ATOM 505 C PHE A 36 1.295 -5.769 -4.775 1.00 0.00 C ATOM 506 O PHE A 36 0.274 -5.091 -4.898 1.00 0.00 O ATOM 507 CB PHE A 36 2.530 -5.354 -2.639 1.00 0.00 C ATOM 508 CG PHE A 36 2.352 -5.453 -1.151 1.00 0.00 C ATOM 509 CD1 PHE A 36 2.823 -6.555 -0.456 1.00 0.00 C ATOM 510 CD2 PHE A 36 1.714 -4.444 -0.448 1.00 0.00 C ATOM 511 CE1 PHE A 36 2.659 -6.649 0.913 1.00 0.00 C ATOM 512 CE2 PHE A 36 1.548 -4.532 0.922 1.00 0.00 C ATOM 513 CZ PHE A 36 2.022 -5.636 1.603 1.00 0.00 C ATOM 0 H PHE A 36 3.418 -7.495 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 36 0.776 -6.574 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.582 -5.507 -2.882 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.271 -4.345 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.324 -7.349 -0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.342 -3.579 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.029 -7.514 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.049 -3.739 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.895 -5.707 2.673 1.00 0.00 H new ATOM 523 N LEU A 37 2.115 -6.028 -5.787 1.00 0.00 N ATOM 524 CA LEU A 37 1.857 -5.522 -7.131 1.00 0.00 C ATOM 525 C LEU A 37 0.369 -5.584 -7.459 1.00 0.00 C ATOM 526 O LEU A 37 -0.134 -4.788 -8.252 1.00 0.00 O ATOM 527 CB LEU A 37 2.652 -6.326 -8.161 1.00 0.00 C ATOM 528 CG LEU A 37 4.121 -5.933 -8.331 1.00 0.00 C ATOM 529 CD1 LEU A 37 4.811 -6.862 -9.318 1.00 0.00 C ATOM 530 CD2 LEU A 37 4.237 -4.486 -8.786 1.00 0.00 C ATOM 0 H LEU A 37 2.965 -6.586 -5.703 1.00 0.00 H new ATOM 0 HA LEU A 37 2.175 -4.480 -7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.608 -7.379 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.157 -6.231 -9.127 1.00 0.00 H new ATOM 0 HG LEU A 37 4.617 -6.029 -7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.855 -6.567 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.759 -7.887 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.314 -6.799 -10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.289 -4.224 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.725 -4.363 -9.740 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.780 -3.833 -8.042 1.00 0.00 H new ATOM 542 N GLN A 38 -0.329 -6.532 -6.843 1.00 0.00 N ATOM 543 CA GLN A 38 -1.760 -6.695 -7.069 1.00 0.00 C ATOM 544 C GLN A 38 -2.518 -5.423 -6.705 1.00 0.00 C ATOM 545 O GLN A 38 -3.376 -4.963 -7.458 1.00 0.00 O ATOM 546 CB GLN A 38 -2.296 -7.873 -6.252 1.00 0.00 C ATOM 547 CG GLN A 38 -1.836 -7.867 -4.803 1.00 0.00 C ATOM 548 CD GLN A 38 -2.431 -9.005 -3.998 1.00 0.00 C ATOM 549 OE1 GLN A 38 -3.575 -8.931 -3.548 1.00 0.00 O ATOM 550 NE2 GLN A 38 -1.657 -10.068 -3.812 1.00 0.00 N ATOM 0 H GLN A 38 0.073 -7.199 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 38 -1.913 -6.897 -8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.386 -7.857 -6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -1.979 -8.804 -6.721 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.749 -7.934 -4.771 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.111 -6.918 -4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.715 -10.088 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.005 -10.865 -3.279 1.00 0.00 H new ATOM 559 N ALA A 39 -2.194 -4.858 -5.547 1.00 0.00 N ATOM 560 CA ALA A 39 -2.843 -3.637 -5.085 1.00 0.00 C ATOM 561 C ALA A 39 -2.458 -2.447 -5.956 1.00 0.00 C ATOM 562 O ALA A 39 -3.296 -1.606 -6.281 1.00 0.00 O ATOM 563 CB ALA A 39 -2.484 -3.367 -3.631 1.00 0.00 C ATOM 0 H ALA A 39 -1.486 -5.226 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.921 -3.776 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.975 -2.452 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.815 -4.202 -3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.404 -3.253 -3.538 1.00 0.00 H new ATOM 569 N GLY A 40 -1.184 -2.381 -6.332 1.00 0.00 N ATOM 570 CA GLY A 40 -0.711 -1.289 -7.162 1.00 0.00 C ATOM 571 C GLY A 40 0.721 -1.486 -7.619 1.00 0.00 C ATOM 572 O GLY A 40 1.378 -2.466 -7.267 1.00 0.00 O ATOM 0 H GLY A 40 -0.471 -3.065 -6.076 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.358 -1.193 -8.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.786 -0.355 -6.605 1.00 0.00 H new ATOM 576 N PRO A 41 1.225 -0.540 -8.425 1.00 0.00 N ATOM 577 CA PRO A 41 2.593 -0.593 -8.950 1.00 0.00 C ATOM 578 C PRO A 41 3.639 -0.364 -7.864 1.00 0.00 C ATOM 579 O PRO A 41 4.093 0.760 -7.652 1.00 0.00 O ATOM 580 CB PRO A 41 2.625 0.546 -9.972 1.00 0.00 C ATOM 581 CG PRO A 41 1.575 1.497 -9.512 1.00 0.00 C ATOM 582 CD PRO A 41 0.498 0.655 -8.886 1.00 0.00 C ATOM 0 HA PRO A 41 2.830 -1.569 -9.372 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.605 1.023 -10.003 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.416 0.182 -10.978 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.981 2.209 -8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.181 2.077 -10.347 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.012 1.173 -8.060 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -0.281 0.399 -9.604 1.00 0.00 H new ATOM 590 N VAL A 42 4.019 -1.438 -7.180 1.00 0.00 N ATOM 591 CA VAL A 42 5.014 -1.355 -6.117 1.00 0.00 C ATOM 592 C VAL A 42 6.326 -0.776 -6.636 1.00 0.00 C ATOM 593 O VAL A 42 6.883 -1.260 -7.622 1.00 0.00 O ATOM 594 CB VAL A 42 5.286 -2.737 -5.493 1.00 0.00 C ATOM 595 CG1 VAL A 42 6.432 -2.656 -4.495 1.00 0.00 C ATOM 596 CG2 VAL A 42 4.029 -3.279 -4.831 1.00 0.00 C ATOM 0 H VAL A 42 3.653 -2.376 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 42 4.606 -0.694 -5.353 1.00 0.00 H new ATOM 0 HB VAL A 42 5.576 -3.425 -6.288 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.610 -3.641 -4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.334 -2.314 -5.003 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.175 -1.954 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.239 -4.256 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.706 -2.594 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.239 -3.376 -5.575 1.00 0.00 H new ATOM 606 N VAL A 43 6.815 0.262 -5.966 1.00 0.00 N ATOM 607 CA VAL A 43 8.062 0.906 -6.358 1.00 0.00 C ATOM 608 C VAL A 43 9.267 0.151 -5.809 1.00 0.00 C ATOM 609 O VAL A 43 10.196 -0.177 -6.547 1.00 0.00 O ATOM 610 CB VAL A 43 8.119 2.366 -5.868 1.00 0.00 C ATOM 611 CG1 VAL A 43 9.138 3.160 -6.671 1.00 0.00 C ATOM 612 CG2 VAL A 43 6.743 3.009 -5.952 1.00 0.00 C ATOM 0 H VAL A 43 6.366 0.675 -5.149 1.00 0.00 H new ATOM 0 HA VAL A 43 8.094 0.894 -7.447 1.00 0.00 H new ATOM 0 HB VAL A 43 8.434 2.369 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 43 9.164 4.188 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.124 2.710 -6.555 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.858 3.152 -7.724 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.801 4.040 -5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.398 2.996 -6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.043 2.453 -5.328 1.00 0.00 H new ATOM 622 N ASN A 44 9.245 -0.123 -4.509 1.00 0.00 N ATOM 623 CA ASN A 44 10.337 -0.841 -3.860 1.00 0.00 C ATOM 624 C ASN A 44 9.878 -1.449 -2.538 1.00 0.00 C ATOM 625 O ASN A 44 8.834 -1.078 -1.999 1.00 0.00 O ATOM 626 CB ASN A 44 11.520 0.099 -3.619 1.00 0.00 C ATOM 627 CG ASN A 44 12.462 -0.422 -2.550 1.00 0.00 C ATOM 628 OD1 ASN A 44 13.253 -1.333 -2.795 1.00 0.00 O ATOM 629 ND2 ASN A 44 12.382 0.157 -1.358 1.00 0.00 N ATOM 0 H ASN A 44 8.483 0.141 -3.884 1.00 0.00 H new ATOM 0 HA ASN A 44 10.652 -1.649 -4.521 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.070 0.233 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.147 1.080 -3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.992 -0.150 -0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.711 0.909 -1.200 1.00 0.00 H new ATOM 636 N THR A 45 10.665 -2.386 -2.019 1.00 0.00 N ATOM 637 CA THR A 45 10.341 -3.046 -0.761 1.00 0.00 C ATOM 638 C THR A 45 11.382 -2.735 0.308 1.00 0.00 C ATOM 639 O THR A 45 12.583 -2.723 0.035 1.00 0.00 O ATOM 640 CB THR A 45 10.243 -4.573 -0.937 1.00 0.00 C ATOM 641 OG1 THR A 45 11.482 -5.089 -1.436 1.00 0.00 O ATOM 642 CG2 THR A 45 9.115 -4.937 -1.890 1.00 0.00 C ATOM 0 H THR A 45 11.532 -2.705 -2.451 1.00 0.00 H new ATOM 0 HA THR A 45 9.372 -2.661 -0.443 1.00 0.00 H new ATOM 0 HB THR A 45 10.031 -5.016 0.036 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.308 -5.878 -1.990 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.066 -6.020 -1.998 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.169 -4.569 -1.492 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.300 -4.483 -2.864 1.00 0.00 H new ATOM 650 N HIS A 46 10.915 -2.483 1.527 1.00 0.00 N ATOM 651 CA HIS A 46 11.808 -2.173 2.639 1.00 0.00 C ATOM 652 C HIS A 46 11.585 -3.138 3.800 1.00 0.00 C ATOM 653 O HIS A 46 10.467 -3.282 4.293 1.00 0.00 O ATOM 654 CB HIS A 46 11.591 -0.734 3.107 1.00 0.00 C ATOM 655 CG HIS A 46 12.704 -0.209 3.961 1.00 0.00 C ATOM 656 ND1 HIS A 46 13.226 -0.906 5.031 1.00 0.00 N ATOM 657 CD2 HIS A 46 13.396 0.953 3.898 1.00 0.00 C ATOM 658 CE1 HIS A 46 14.189 -0.195 5.589 1.00 0.00 C ATOM 659 NE2 HIS A 46 14.313 0.937 4.920 1.00 0.00 N ATOM 0 H HIS A 46 9.924 -2.487 1.770 1.00 0.00 H new ATOM 0 HA HIS A 46 12.835 -2.283 2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 46 11.478 -0.090 2.235 1.00 0.00 H new ATOM 0 HB3 HIS A 46 10.657 -0.679 3.667 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.253 1.745 3.178 1.00 0.00 H new ATOM 0 HE1 HIS A 46 14.776 -0.489 6.447 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.981 1.679 5.129 1.00 0.00 H new ATOM 667 N MET A 47 12.656 -3.796 4.230 1.00 0.00 N ATOM 668 CA MET A 47 12.577 -4.746 5.333 1.00 0.00 C ATOM 669 C MET A 47 13.805 -4.640 6.232 1.00 0.00 C ATOM 670 O MET A 47 14.897 -5.091 5.886 1.00 0.00 O ATOM 671 CB MET A 47 12.444 -6.173 4.797 1.00 0.00 C ATOM 672 CG MET A 47 11.004 -6.622 4.615 1.00 0.00 C ATOM 673 SD MET A 47 10.336 -7.426 6.085 1.00 0.00 S ATOM 674 CE MET A 47 10.835 -9.122 5.799 1.00 0.00 C ATOM 0 H MET A 47 13.589 -3.689 3.832 1.00 0.00 H new ATOM 0 HA MET A 47 11.694 -4.504 5.925 1.00 0.00 H new ATOM 0 HB2 MET A 47 12.961 -6.243 3.840 1.00 0.00 H new ATOM 0 HB3 MET A 47 12.946 -6.857 5.481 1.00 0.00 H new ATOM 0 HG2 MET A 47 10.387 -5.759 4.366 1.00 0.00 H new ATOM 0 HG3 MET A 47 10.946 -7.310 3.771 1.00 0.00 H new ATOM 0 HE1 MET A 47 10.478 -9.749 6.616 1.00 0.00 H new ATOM 0 HE2 MET A 47 10.408 -9.473 4.859 1.00 0.00 H new ATOM 0 HE3 MET A 47 11.922 -9.177 5.747 1.00 0.00 H new ATOM 684 N PRO A 48 13.625 -4.029 7.412 1.00 0.00 N ATOM 685 CA PRO A 48 14.708 -3.850 8.384 1.00 0.00 C ATOM 686 C PRO A 48 15.140 -5.167 9.020 1.00 0.00 C ATOM 687 O PRO A 48 14.346 -6.100 9.140 1.00 0.00 O ATOM 688 CB PRO A 48 14.091 -2.925 9.436 1.00 0.00 C ATOM 689 CG PRO A 48 12.624 -3.163 9.337 1.00 0.00 C ATOM 690 CD PRO A 48 12.351 -3.467 7.889 1.00 0.00 C ATOM 0 HA PRO A 48 15.610 -3.449 7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 48 14.463 -3.157 10.434 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.337 -1.882 9.239 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.319 -3.993 9.974 1.00 0.00 H new ATOM 0 HG3 PRO A 48 12.063 -2.287 9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.531 -4.176 7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.075 -2.570 7.335 1.00 0.00 H new ATOM 698 N LYS A 49 16.403 -5.236 9.428 1.00 0.00 N ATOM 699 CA LYS A 49 16.940 -6.437 10.054 1.00 0.00 C ATOM 700 C LYS A 49 17.556 -6.114 11.412 1.00 0.00 C ATOM 701 O LYS A 49 17.611 -4.954 11.819 1.00 0.00 O ATOM 702 CB LYS A 49 17.990 -7.084 9.147 1.00 0.00 C ATOM 703 CG LYS A 49 17.433 -7.561 7.817 1.00 0.00 C ATOM 704 CD LYS A 49 17.318 -6.420 6.819 1.00 0.00 C ATOM 705 CE LYS A 49 16.918 -6.924 5.441 1.00 0.00 C ATOM 706 NZ LYS A 49 18.054 -7.581 4.739 1.00 0.00 N ATOM 0 H LYS A 49 17.074 -4.473 9.336 1.00 0.00 H new ATOM 0 HA LYS A 49 16.118 -7.137 10.205 1.00 0.00 H new ATOM 0 HB2 LYS A 49 18.789 -6.366 8.961 1.00 0.00 H new ATOM 0 HB3 LYS A 49 18.437 -7.930 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.079 -8.339 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.452 -8.010 7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 49 16.581 -5.699 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.271 -5.895 6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 49 16.094 -7.631 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 49 16.554 -6.090 4.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 17.755 -7.865 3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 18.850 -6.916 4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 18.352 -8.422 5.273 1.00 0.00 H new ATOM 720 N ASP A 50 18.019 -7.148 12.107 1.00 0.00 N ATOM 721 CA ASP A 50 18.633 -6.973 13.418 1.00 0.00 C ATOM 722 C ASP A 50 20.126 -6.690 13.285 1.00 0.00 C ATOM 723 O ASP A 50 20.664 -6.650 12.178 1.00 0.00 O ATOM 724 CB ASP A 50 18.412 -8.219 14.278 1.00 0.00 C ATOM 725 CG ASP A 50 18.613 -7.945 15.755 1.00 0.00 C ATOM 726 OD1 ASP A 50 17.716 -7.333 16.373 1.00 0.00 O ATOM 727 OD2 ASP A 50 19.667 -8.343 16.294 1.00 0.00 O ATOM 0 H ASP A 50 17.981 -8.115 11.784 1.00 0.00 H new ATOM 0 HA ASP A 50 18.161 -6.118 13.902 1.00 0.00 H new ATOM 0 HB2 ASP A 50 17.402 -8.595 14.115 1.00 0.00 H new ATOM 0 HB3 ASP A 50 19.099 -9.003 13.960 1.00 0.00 H new ATOM 732 N ARG A 51 20.789 -6.493 14.420 1.00 0.00 N ATOM 733 CA ARG A 51 22.220 -6.211 14.430 1.00 0.00 C ATOM 734 C ARG A 51 23.014 -7.442 14.858 1.00 0.00 C ATOM 735 O ARG A 51 24.145 -7.648 14.417 1.00 0.00 O ATOM 736 CB ARG A 51 22.524 -5.042 15.369 1.00 0.00 C ATOM 737 CG ARG A 51 22.201 -5.332 16.826 1.00 0.00 C ATOM 738 CD ARG A 51 22.214 -4.062 17.662 1.00 0.00 C ATOM 739 NE ARG A 51 20.903 -3.421 17.704 1.00 0.00 N ATOM 740 CZ ARG A 51 19.945 -3.762 18.558 1.00 0.00 C ATOM 741 NH1 ARG A 51 20.151 -4.732 19.437 1.00 0.00 N ATOM 742 NH2 ARG A 51 18.778 -3.131 18.534 1.00 0.00 N ATOM 0 H ARG A 51 20.359 -6.523 15.344 1.00 0.00 H new ATOM 0 HA ARG A 51 22.519 -5.942 13.417 1.00 0.00 H new ATOM 0 HB2 ARG A 51 23.580 -4.784 15.284 1.00 0.00 H new ATOM 0 HB3 ARG A 51 21.955 -4.170 15.046 1.00 0.00 H new ATOM 0 HG2 ARG A 51 21.221 -5.805 16.896 1.00 0.00 H new ATOM 0 HG3 ARG A 51 22.926 -6.040 17.227 1.00 0.00 H new ATOM 0 HD2 ARG A 51 22.534 -4.299 18.677 1.00 0.00 H new ATOM 0 HD3 ARG A 51 22.945 -3.365 17.252 1.00 0.00 H new ATOM 0 HE ARG A 51 20.712 -2.670 17.041 1.00 0.00 H new ATOM 0 HH11 ARG A 51 21.047 -5.219 19.459 1.00 0.00 H new ATOM 0 HH12 ARG A 51 19.413 -4.992 20.092 1.00 0.00 H new ATOM 0 HH21 ARG A 51 18.616 -2.383 17.859 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.043 -3.394 19.190 1.00 0.00 H new ATOM 756 N VAL A 52 22.413 -8.256 15.720 1.00 0.00 N ATOM 757 CA VAL A 52 23.064 -9.467 16.207 1.00 0.00 C ATOM 758 C VAL A 52 22.909 -10.612 15.213 1.00 0.00 C ATOM 759 O VAL A 52 23.856 -11.355 14.951 1.00 0.00 O ATOM 760 CB VAL A 52 22.490 -9.903 17.569 1.00 0.00 C ATOM 761 CG1 VAL A 52 23.150 -11.190 18.039 1.00 0.00 C ATOM 762 CG2 VAL A 52 22.666 -8.797 18.599 1.00 0.00 C ATOM 0 H VAL A 52 21.478 -8.099 16.095 1.00 0.00 H new ATOM 0 HA VAL A 52 24.122 -9.233 16.324 1.00 0.00 H new ATOM 0 HB VAL A 52 21.423 -10.092 17.451 1.00 0.00 H new ATOM 0 HG11 VAL A 52 22.732 -11.482 19.002 1.00 0.00 H new ATOM 0 HG12 VAL A 52 22.968 -11.979 17.310 1.00 0.00 H new ATOM 0 HG13 VAL A 52 24.223 -11.032 18.142 1.00 0.00 H new ATOM 0 HG21 VAL A 52 22.255 -9.121 19.555 1.00 0.00 H new ATOM 0 HG22 VAL A 52 23.727 -8.575 18.716 1.00 0.00 H new ATOM 0 HG23 VAL A 52 22.142 -7.901 18.264 1.00 0.00 H new ATOM 772 N THR A 53 21.708 -10.751 14.660 1.00 0.00 N ATOM 773 CA THR A 53 21.428 -11.806 13.694 1.00 0.00 C ATOM 774 C THR A 53 21.554 -11.291 12.265 1.00 0.00 C ATOM 775 O THR A 53 22.006 -12.009 11.374 1.00 0.00 O ATOM 776 CB THR A 53 20.017 -12.391 13.895 1.00 0.00 C ATOM 777 OG1 THR A 53 19.040 -11.347 13.825 1.00 0.00 O ATOM 778 CG2 THR A 53 19.912 -13.103 15.235 1.00 0.00 C ATOM 0 H THR A 53 20.913 -10.146 14.865 1.00 0.00 H new ATOM 0 HA THR A 53 22.166 -12.591 13.860 1.00 0.00 H new ATOM 0 HB THR A 53 19.831 -13.115 13.102 1.00 0.00 H new ATOM 0 HG1 THR A 53 18.146 -11.727 13.952 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.907 -13.508 15.354 1.00 0.00 H new ATOM 0 HG22 THR A 53 20.637 -13.916 15.273 1.00 0.00 H new ATOM 0 HG23 THR A 53 20.116 -12.396 16.039 1.00 0.00 H new ATOM 786 N GLY A 54 21.153 -10.041 12.054 1.00 0.00 N ATOM 787 CA GLY A 54 21.230 -9.451 10.730 1.00 0.00 C ATOM 788 C GLY A 54 20.196 -10.023 9.779 1.00 0.00 C ATOM 789 O GLY A 54 20.449 -10.147 8.581 1.00 0.00 O ATOM 0 H GLY A 54 20.776 -9.427 12.776 1.00 0.00 H new ATOM 0 HA2 GLY A 54 21.091 -8.373 10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.226 -9.615 10.320 1.00 0.00 H new ATOM 793 N GLN A 55 19.031 -10.373 10.315 1.00 0.00 N ATOM 794 CA GLN A 55 17.958 -10.937 9.505 1.00 0.00 C ATOM 795 C GLN A 55 16.623 -10.278 9.836 1.00 0.00 C ATOM 796 O GLN A 55 16.308 -10.039 11.002 1.00 0.00 O ATOM 797 CB GLN A 55 17.863 -12.448 9.728 1.00 0.00 C ATOM 798 CG GLN A 55 17.305 -12.828 11.090 1.00 0.00 C ATOM 799 CD GLN A 55 16.896 -14.286 11.167 1.00 0.00 C ATOM 800 OE1 GLN A 55 17.355 -15.114 10.379 1.00 0.00 O ATOM 801 NE2 GLN A 55 16.028 -14.608 12.119 1.00 0.00 N ATOM 0 H GLN A 55 18.806 -10.276 11.305 1.00 0.00 H new ATOM 0 HA GLN A 55 18.188 -10.745 8.457 1.00 0.00 H new ATOM 0 HB2 GLN A 55 17.232 -12.882 8.952 1.00 0.00 H new ATOM 0 HB3 GLN A 55 18.855 -12.887 9.616 1.00 0.00 H new ATOM 0 HG2 GLN A 55 18.054 -12.624 11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 55 16.442 -12.200 11.313 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.673 -13.889 12.750 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.716 -15.574 12.219 1.00 0.00 H new ATOM 810 N HIS A 56 15.842 -9.984 8.801 1.00 0.00 N ATOM 811 CA HIS A 56 14.540 -9.352 8.981 1.00 0.00 C ATOM 812 C HIS A 56 13.838 -9.896 10.222 1.00 0.00 C ATOM 813 O HIS A 56 13.494 -11.076 10.283 1.00 0.00 O ATOM 814 CB HIS A 56 13.665 -9.575 7.747 1.00 0.00 C ATOM 815 CG HIS A 56 13.035 -10.933 7.697 1.00 0.00 C ATOM 816 ND1 HIS A 56 11.793 -11.207 8.230 1.00 0.00 N ATOM 817 CD2 HIS A 56 13.483 -12.098 7.172 1.00 0.00 C ATOM 818 CE1 HIS A 56 11.505 -12.481 8.037 1.00 0.00 C ATOM 819 NE2 HIS A 56 12.513 -13.044 7.396 1.00 0.00 N ATOM 0 H HIS A 56 16.088 -10.173 7.829 1.00 0.00 H new ATOM 0 HA HIS A 56 14.700 -8.282 9.115 1.00 0.00 H new ATOM 0 HB2 HIS A 56 12.880 -8.819 7.727 1.00 0.00 H new ATOM 0 HB3 HIS A 56 14.270 -9.431 6.852 1.00 0.00 H new ATOM 0 HD2 HIS A 56 14.427 -12.254 6.671 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.599 -12.978 8.350 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.563 -14.023 7.113 1.00 0.00 H new ATOM 827 N GLN A 57 13.632 -9.029 11.208 1.00 0.00 N ATOM 828 CA GLN A 57 12.973 -9.424 12.447 1.00 0.00 C ATOM 829 C GLN A 57 11.627 -10.082 12.162 1.00 0.00 C ATOM 830 O GLN A 57 11.429 -11.263 12.445 1.00 0.00 O ATOM 831 CB GLN A 57 12.778 -8.210 13.356 1.00 0.00 C ATOM 832 CG GLN A 57 14.065 -7.718 13.998 1.00 0.00 C ATOM 833 CD GLN A 57 13.833 -7.069 15.349 1.00 0.00 C ATOM 834 OE1 GLN A 57 14.097 -5.881 15.533 1.00 0.00 O ATOM 835 NE2 GLN A 57 13.335 -7.848 16.302 1.00 0.00 N ATOM 0 H GLN A 57 13.912 -8.049 11.173 1.00 0.00 H new ATOM 0 HA GLN A 57 13.611 -10.148 12.953 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.338 -7.399 12.776 1.00 0.00 H new ATOM 0 HB3 GLN A 57 12.065 -8.464 14.140 1.00 0.00 H new ATOM 0 HG2 GLN A 57 14.752 -8.556 14.115 1.00 0.00 H new ATOM 0 HG3 GLN A 57 14.547 -7.002 13.333 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.131 -8.828 16.105 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.156 -7.467 17.231 1.00 0.00 H new ATOM 844 N GLY A 58 10.703 -9.309 11.599 1.00 0.00 N ATOM 845 CA GLY A 58 9.387 -9.834 11.285 1.00 0.00 C ATOM 846 C GLY A 58 8.423 -8.752 10.839 1.00 0.00 C ATOM 847 O GLY A 58 7.223 -8.834 11.103 1.00 0.00 O ATOM 0 H GLY A 58 10.843 -8.329 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.476 -10.584 10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.982 -10.339 12.162 1.00 0.00 H new ATOM 851 N TYR A 59 8.947 -7.736 10.164 1.00 0.00 N ATOM 852 CA TYR A 59 8.125 -6.632 9.684 1.00 0.00 C ATOM 853 C TYR A 59 8.823 -5.886 8.550 1.00 0.00 C ATOM 854 O TYR A 59 10.035 -5.682 8.580 1.00 0.00 O ATOM 855 CB TYR A 59 7.813 -5.666 10.829 1.00 0.00 C ATOM 856 CG TYR A 59 9.012 -4.871 11.294 1.00 0.00 C ATOM 857 CD1 TYR A 59 9.900 -5.395 12.224 1.00 0.00 C ATOM 858 CD2 TYR A 59 9.257 -3.594 10.802 1.00 0.00 C ATOM 859 CE1 TYR A 59 10.997 -4.672 12.652 1.00 0.00 C ATOM 860 CE2 TYR A 59 10.352 -2.864 11.223 1.00 0.00 C ATOM 861 CZ TYR A 59 11.218 -3.407 12.149 1.00 0.00 C ATOM 862 OH TYR A 59 12.310 -2.684 12.572 1.00 0.00 O ATOM 0 H TYR A 59 9.938 -7.654 9.937 1.00 0.00 H new ATOM 0 HA TYR A 59 7.192 -7.046 9.302 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.032 -4.976 10.509 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.413 -6.231 11.671 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.730 -6.385 12.620 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.580 -3.165 10.078 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.677 -5.095 13.376 1.00 0.00 H new ATOM 0 HE2 TYR A 59 10.529 -1.874 10.829 1.00 0.00 H new ATOM 0 HH TYR A 59 12.321 -1.814 12.121 1.00 0.00 H new ATOM 872 N GLY A 60 8.045 -5.481 7.551 1.00 0.00 N ATOM 873 CA GLY A 60 8.604 -4.762 6.421 1.00 0.00 C ATOM 874 C GLY A 60 7.726 -3.610 5.975 1.00 0.00 C ATOM 875 O GLY A 60 6.911 -3.105 6.749 1.00 0.00 O ATOM 0 H GLY A 60 7.038 -5.638 7.504 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.590 -4.381 6.688 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.744 -5.452 5.589 1.00 0.00 H new ATOM 879 N PHE A 61 7.892 -3.190 4.725 1.00 0.00 N ATOM 880 CA PHE A 61 7.110 -2.087 4.179 1.00 0.00 C ATOM 881 C PHE A 61 7.062 -2.157 2.655 1.00 0.00 C ATOM 882 O PHE A 61 7.949 -2.728 2.021 1.00 0.00 O ATOM 883 CB PHE A 61 7.700 -0.747 4.622 1.00 0.00 C ATOM 884 CG PHE A 61 7.914 -0.647 6.105 1.00 0.00 C ATOM 885 CD1 PHE A 61 9.083 -1.116 6.682 1.00 0.00 C ATOM 886 CD2 PHE A 61 6.947 -0.085 6.922 1.00 0.00 C ATOM 887 CE1 PHE A 61 9.284 -1.025 8.047 1.00 0.00 C ATOM 888 CE2 PHE A 61 7.142 0.009 8.287 1.00 0.00 C ATOM 889 CZ PHE A 61 8.312 -0.463 8.850 1.00 0.00 C ATOM 0 H PHE A 61 8.561 -3.597 4.071 1.00 0.00 H new ATOM 0 HA PHE A 61 6.093 -2.171 4.561 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.652 -0.593 4.114 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.036 0.056 4.304 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.846 -1.558 6.058 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.030 0.284 6.487 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.200 -1.393 8.484 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.381 0.451 8.913 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.466 -0.392 9.917 1.00 0.00 H new ATOM 899 N VAL A 62 6.020 -1.570 2.074 1.00 0.00 N ATOM 900 CA VAL A 62 5.856 -1.565 0.625 1.00 0.00 C ATOM 901 C VAL A 62 5.532 -0.165 0.115 1.00 0.00 C ATOM 902 O VAL A 62 4.397 0.298 0.223 1.00 0.00 O ATOM 903 CB VAL A 62 4.742 -2.531 0.183 1.00 0.00 C ATOM 904 CG1 VAL A 62 4.533 -2.453 -1.322 1.00 0.00 C ATOM 905 CG2 VAL A 62 5.071 -3.954 0.610 1.00 0.00 C ATOM 0 H VAL A 62 5.277 -1.092 2.584 1.00 0.00 H new ATOM 0 HA VAL A 62 6.803 -1.895 0.197 1.00 0.00 H new ATOM 0 HB VAL A 62 3.813 -2.234 0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.742 -3.143 -1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.250 -1.437 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.458 -2.723 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.273 -4.624 0.290 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.010 -4.263 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.166 -3.996 1.695 1.00 0.00 H new ATOM 915 N GLU A 63 6.537 0.503 -0.443 1.00 0.00 N ATOM 916 CA GLU A 63 6.358 1.851 -0.970 1.00 0.00 C ATOM 917 C GLU A 63 5.735 1.812 -2.362 1.00 0.00 C ATOM 918 O GLU A 63 6.388 1.438 -3.337 1.00 0.00 O ATOM 919 CB GLU A 63 7.700 2.585 -1.020 1.00 0.00 C ATOM 920 CG GLU A 63 7.627 3.940 -1.705 1.00 0.00 C ATOM 921 CD GLU A 63 8.779 4.849 -1.323 1.00 0.00 C ATOM 922 OE1 GLU A 63 9.125 4.896 -0.124 1.00 0.00 O ATOM 923 OE2 GLU A 63 9.335 5.513 -2.223 1.00 0.00 O ATOM 0 H GLU A 63 7.482 0.133 -0.542 1.00 0.00 H new ATOM 0 HA GLU A 63 5.683 2.388 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.069 2.721 -0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.426 1.962 -1.542 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.625 3.797 -2.786 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.686 4.424 -1.445 1.00 0.00 H new ATOM 930 N PHE A 64 4.467 2.200 -2.448 1.00 0.00 N ATOM 931 CA PHE A 64 3.754 2.208 -3.720 1.00 0.00 C ATOM 932 C PHE A 64 4.059 3.479 -4.506 1.00 0.00 C ATOM 933 O PHE A 64 4.544 4.466 -3.950 1.00 0.00 O ATOM 934 CB PHE A 64 2.247 2.090 -3.485 1.00 0.00 C ATOM 935 CG PHE A 64 1.782 0.677 -3.270 1.00 0.00 C ATOM 936 CD1 PHE A 64 1.772 0.123 -2.000 1.00 0.00 C ATOM 937 CD2 PHE A 64 1.356 -0.095 -4.338 1.00 0.00 C ATOM 938 CE1 PHE A 64 1.346 -1.177 -1.801 1.00 0.00 C ATOM 939 CE2 PHE A 64 0.928 -1.395 -4.144 1.00 0.00 C ATOM 940 CZ PHE A 64 0.922 -1.936 -2.874 1.00 0.00 C ATOM 0 H PHE A 64 3.912 2.513 -1.652 1.00 0.00 H new ATOM 0 HA PHE A 64 4.092 1.351 -4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.975 2.690 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.720 2.511 -4.341 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.100 0.713 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.358 0.323 -5.334 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.345 -1.599 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.599 -1.987 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.586 -2.951 -2.720 1.00 0.00 H new ATOM 950 N LEU A 65 3.773 3.449 -5.803 1.00 0.00 N ATOM 951 CA LEU A 65 4.017 4.598 -6.668 1.00 0.00 C ATOM 952 C LEU A 65 3.106 5.764 -6.294 1.00 0.00 C ATOM 953 O LEU A 65 3.555 6.904 -6.181 1.00 0.00 O ATOM 954 CB LEU A 65 3.798 4.215 -8.132 1.00 0.00 C ATOM 955 CG LEU A 65 4.219 5.257 -9.169 1.00 0.00 C ATOM 956 CD1 LEU A 65 5.729 5.258 -9.343 1.00 0.00 C ATOM 957 CD2 LEU A 65 3.526 4.996 -10.499 1.00 0.00 C ATOM 0 H LEU A 65 3.372 2.641 -6.279 1.00 0.00 H new ATOM 0 HA LEU A 65 5.052 4.911 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.344 3.293 -8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.740 3.996 -8.275 1.00 0.00 H new ATOM 0 HG LEU A 65 3.916 6.241 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.009 6.006 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.205 5.495 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.057 4.274 -9.678 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.837 5.747 -11.225 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.798 4.005 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.446 5.049 -10.363 1.00 0.00 H new ATOM 969 N SER A 66 1.824 5.468 -6.102 1.00 0.00 N ATOM 970 CA SER A 66 0.850 6.492 -5.742 1.00 0.00 C ATOM 971 C SER A 66 0.187 6.166 -4.407 1.00 0.00 C ATOM 972 O SER A 66 -0.088 5.005 -4.106 1.00 0.00 O ATOM 973 CB SER A 66 -0.213 6.620 -6.834 1.00 0.00 C ATOM 974 OG SER A 66 0.383 6.770 -8.111 1.00 0.00 O ATOM 0 H SER A 66 1.436 4.529 -6.190 1.00 0.00 H new ATOM 0 HA SER A 66 1.377 7.441 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.852 5.737 -6.829 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.852 7.478 -6.625 1.00 0.00 H new ATOM 0 HG SER A 66 -0.318 6.848 -8.792 1.00 0.00 H new ATOM 980 N GLU A 67 -0.066 7.200 -3.611 1.00 0.00 N ATOM 981 CA GLU A 67 -0.695 7.023 -2.307 1.00 0.00 C ATOM 982 C GLU A 67 -1.922 6.121 -2.413 1.00 0.00 C ATOM 983 O GLU A 67 -2.078 5.177 -1.639 1.00 0.00 O ATOM 984 CB GLU A 67 -1.095 8.379 -1.722 1.00 0.00 C ATOM 985 CG GLU A 67 -1.562 8.305 -0.277 1.00 0.00 C ATOM 986 CD GLU A 67 -2.118 9.623 0.225 1.00 0.00 C ATOM 987 OE1 GLU A 67 -1.520 10.675 -0.082 1.00 0.00 O ATOM 988 OE2 GLU A 67 -3.152 9.601 0.924 1.00 0.00 O ATOM 0 H GLU A 67 0.155 8.168 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 67 0.028 6.548 -1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.245 9.058 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.891 8.807 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.327 7.534 -0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.727 8.003 0.356 1.00 0.00 H new ATOM 995 N GLU A 68 -2.788 6.420 -3.376 1.00 0.00 N ATOM 996 CA GLU A 68 -4.000 5.637 -3.582 1.00 0.00 C ATOM 997 C GLU A 68 -3.683 4.145 -3.630 1.00 0.00 C ATOM 998 O GLU A 68 -4.410 3.326 -3.066 1.00 0.00 O ATOM 999 CB GLU A 68 -4.696 6.063 -4.877 1.00 0.00 C ATOM 1000 CG GLU A 68 -3.811 5.954 -6.107 1.00 0.00 C ATOM 1001 CD GLU A 68 -4.597 6.038 -7.401 1.00 0.00 C ATOM 1002 OE1 GLU A 68 -5.106 7.134 -7.717 1.00 0.00 O ATOM 1003 OE2 GLU A 68 -4.704 5.007 -8.097 1.00 0.00 O ATOM 0 H GLU A 68 -2.673 7.198 -4.025 1.00 0.00 H new ATOM 0 HA GLU A 68 -4.668 5.822 -2.741 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.583 5.447 -5.022 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.036 7.093 -4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -3.067 6.750 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.268 5.009 -6.077 1.00 0.00 H new ATOM 1010 N ASP A 69 -2.593 3.799 -4.306 1.00 0.00 N ATOM 1011 CA ASP A 69 -2.178 2.406 -4.428 1.00 0.00 C ATOM 1012 C ASP A 69 -1.932 1.791 -3.054 1.00 0.00 C ATOM 1013 O ASP A 69 -2.240 0.622 -2.822 1.00 0.00 O ATOM 1014 CB ASP A 69 -0.913 2.302 -5.281 1.00 0.00 C ATOM 1015 CG ASP A 69 -1.148 2.722 -6.718 1.00 0.00 C ATOM 1016 OD1 ASP A 69 -2.071 2.173 -7.354 1.00 0.00 O ATOM 1017 OD2 ASP A 69 -0.407 3.601 -7.208 1.00 0.00 O ATOM 0 H ASP A 69 -1.981 4.464 -4.778 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.982 1.854 -4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.133 2.926 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.548 1.275 -5.261 1.00 0.00 H new ATOM 1022 N ALA A 70 -1.375 2.586 -2.146 1.00 0.00 N ATOM 1023 CA ALA A 70 -1.089 2.119 -0.795 1.00 0.00 C ATOM 1024 C ALA A 70 -2.367 1.703 -0.075 1.00 0.00 C ATOM 1025 O ALA A 70 -2.520 0.548 0.321 1.00 0.00 O ATOM 1026 CB ALA A 70 -0.364 3.200 -0.006 1.00 0.00 C ATOM 0 H ALA A 70 -1.113 3.556 -2.322 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.444 1.243 -0.869 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.157 2.838 1.001 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.574 3.446 -0.504 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.990 4.091 0.050 1.00 0.00 H new ATOM 1032 N ASP A 71 -3.282 2.652 0.091 1.00 0.00 N ATOM 1033 CA ASP A 71 -4.548 2.384 0.764 1.00 0.00 C ATOM 1034 C ASP A 71 -5.219 1.143 0.183 1.00 0.00 C ATOM 1035 O ASP A 71 -5.935 0.427 0.884 1.00 0.00 O ATOM 1036 CB ASP A 71 -5.482 3.589 0.639 1.00 0.00 C ATOM 1037 CG ASP A 71 -6.744 3.431 1.463 1.00 0.00 C ATOM 1038 OD1 ASP A 71 -6.652 3.499 2.707 1.00 0.00 O ATOM 1039 OD2 ASP A 71 -7.824 3.240 0.865 1.00 0.00 O ATOM 0 H ASP A 71 -3.171 3.613 -0.231 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.340 2.204 1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.954 4.488 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.750 3.730 -0.408 1.00 0.00 H new ATOM 1044 N TYR A 72 -4.983 0.895 -1.100 1.00 0.00 N ATOM 1045 CA TYR A 72 -5.568 -0.258 -1.776 1.00 0.00 C ATOM 1046 C TYR A 72 -4.987 -1.560 -1.233 1.00 0.00 C ATOM 1047 O TYR A 72 -5.705 -2.541 -1.041 1.00 0.00 O ATOM 1048 CB TYR A 72 -5.326 -0.168 -3.283 1.00 0.00 C ATOM 1049 CG TYR A 72 -6.163 -1.136 -4.089 1.00 0.00 C ATOM 1050 CD1 TYR A 72 -5.797 -2.472 -4.204 1.00 0.00 C ATOM 1051 CD2 TYR A 72 -7.318 -0.716 -4.736 1.00 0.00 C ATOM 1052 CE1 TYR A 72 -6.557 -3.360 -4.940 1.00 0.00 C ATOM 1053 CE2 TYR A 72 -8.085 -1.597 -5.473 1.00 0.00 C ATOM 1054 CZ TYR A 72 -7.701 -2.918 -5.572 1.00 0.00 C ATOM 1055 OH TYR A 72 -8.462 -3.799 -6.306 1.00 0.00 O ATOM 0 H TYR A 72 -4.391 1.476 -1.693 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.641 -0.253 -1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -5.538 0.848 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -4.272 -0.356 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.903 -2.822 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.622 0.318 -4.661 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.257 -4.395 -5.020 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -8.981 -1.253 -5.969 1.00 0.00 H new ATOM 0 HH TYR A 72 -9.233 -3.328 -6.685 1.00 0.00 H new ATOM 1065 N ALA A 73 -3.681 -1.560 -0.986 1.00 0.00 N ATOM 1066 CA ALA A 73 -3.002 -2.739 -0.463 1.00 0.00 C ATOM 1067 C ALA A 73 -3.306 -2.935 1.018 1.00 0.00 C ATOM 1068 O ALA A 73 -3.278 -4.058 1.524 1.00 0.00 O ATOM 1069 CB ALA A 73 -1.501 -2.627 -0.685 1.00 0.00 C ATOM 0 H ALA A 73 -3.072 -0.756 -1.140 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.373 -3.610 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.007 -3.515 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.296 -2.543 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.122 -1.743 -0.173 1.00 0.00 H new ATOM 1075 N ILE A 74 -3.596 -1.837 1.708 1.00 0.00 N ATOM 1076 CA ILE A 74 -3.906 -1.890 3.132 1.00 0.00 C ATOM 1077 C ILE A 74 -5.318 -2.413 3.368 1.00 0.00 C ATOM 1078 O ILE A 74 -5.688 -2.749 4.494 1.00 0.00 O ATOM 1079 CB ILE A 74 -3.767 -0.504 3.789 1.00 0.00 C ATOM 1080 CG1 ILE A 74 -2.344 0.029 3.612 1.00 0.00 C ATOM 1081 CG2 ILE A 74 -4.131 -0.579 5.265 1.00 0.00 C ATOM 1082 CD1 ILE A 74 -2.235 1.528 3.780 1.00 0.00 C ATOM 0 H ILE A 74 -3.623 -0.901 1.305 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.188 -2.573 3.587 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.456 0.185 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -1.690 -0.458 4.335 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.983 -0.245 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.028 0.408 5.716 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.161 -0.920 5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.465 -1.279 5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.198 1.835 3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.863 2.024 3.040 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.565 1.807 4.781 1.00 0.00 H new ATOM 1094 N LYS A 75 -6.104 -2.483 2.299 1.00 0.00 N ATOM 1095 CA LYS A 75 -7.476 -2.969 2.388 1.00 0.00 C ATOM 1096 C LYS A 75 -7.543 -4.465 2.094 1.00 0.00 C ATOM 1097 O LYS A 75 -8.378 -5.178 2.651 1.00 0.00 O ATOM 1098 CB LYS A 75 -8.373 -2.206 1.411 1.00 0.00 C ATOM 1099 CG LYS A 75 -8.503 -2.875 0.054 1.00 0.00 C ATOM 1100 CD LYS A 75 -8.858 -1.873 -1.031 1.00 0.00 C ATOM 1101 CE LYS A 75 -10.355 -1.605 -1.073 1.00 0.00 C ATOM 1102 NZ LYS A 75 -10.676 -0.366 -1.835 1.00 0.00 N ATOM 0 H LYS A 75 -5.814 -2.209 1.360 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.830 -2.800 3.405 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.365 -2.098 1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.974 -1.201 1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.566 -3.370 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.270 -3.648 0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.325 -0.939 -0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.527 -2.250 -1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.863 -2.454 -1.530 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.736 -1.515 -0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.705 -0.219 -1.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.212 0.449 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.335 -0.462 -2.813 1.00 0.00 H new ATOM 1116 N ILE A 76 -6.659 -4.931 1.219 1.00 0.00 N ATOM 1117 CA ILE A 76 -6.618 -6.342 0.855 1.00 0.00 C ATOM 1118 C ILE A 76 -5.523 -7.076 1.622 1.00 0.00 C ATOM 1119 O ILE A 76 -5.724 -8.195 2.092 1.00 0.00 O ATOM 1120 CB ILE A 76 -6.383 -6.527 -0.656 1.00 0.00 C ATOM 1121 CG1 ILE A 76 -5.138 -5.755 -1.099 1.00 0.00 C ATOM 1122 CG2 ILE A 76 -7.603 -6.070 -1.441 1.00 0.00 C ATOM 1123 CD1 ILE A 76 -4.799 -5.943 -2.561 1.00 0.00 C ATOM 0 H ILE A 76 -5.962 -4.353 0.749 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.588 -6.764 1.118 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.221 -7.586 -0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.290 -4.694 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.289 -6.073 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.422 -6.207 -2.507 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.470 -6.659 -1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.793 -5.016 -1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.906 -5.367 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.615 -6.999 -2.759 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.631 -5.598 -3.175 1.00 0.00 H new ATOM 1135 N MET A 77 -4.365 -6.437 1.745 1.00 0.00 N ATOM 1136 CA MET A 77 -3.238 -7.028 2.458 1.00 0.00 C ATOM 1137 C MET A 77 -3.365 -6.798 3.961 1.00 0.00 C ATOM 1138 O MET A 77 -2.364 -6.716 4.672 1.00 0.00 O ATOM 1139 CB MET A 77 -1.920 -6.440 1.950 1.00 0.00 C ATOM 1140 CG MET A 77 -1.842 -6.343 0.435 1.00 0.00 C ATOM 1141 SD MET A 77 -2.389 -7.851 -0.387 1.00 0.00 S ATOM 1142 CE MET A 77 -0.849 -8.428 -1.097 1.00 0.00 C ATOM 0 H MET A 77 -4.182 -5.510 1.361 1.00 0.00 H new ATOM 0 HA MET A 77 -3.244 -8.102 2.270 1.00 0.00 H new ATOM 0 HB2 MET A 77 -1.787 -5.446 2.377 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.095 -7.055 2.310 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.454 -5.507 0.096 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.815 -6.126 0.141 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.910 -9.502 -1.274 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.669 -7.914 -2.041 1.00 0.00 H new ATOM 0 HE3 MET A 77 -0.030 -8.220 -0.408 1.00 0.00 H new ATOM 1152 N ASP A 78 -4.601 -6.695 4.437 1.00 0.00 N ATOM 1153 CA ASP A 78 -4.858 -6.475 5.855 1.00 0.00 C ATOM 1154 C ASP A 78 -5.236 -7.781 6.548 1.00 0.00 C ATOM 1155 O ASP A 78 -6.117 -8.507 6.086 1.00 0.00 O ATOM 1156 CB ASP A 78 -5.973 -5.444 6.040 1.00 0.00 C ATOM 1157 CG ASP A 78 -7.342 -6.086 6.153 1.00 0.00 C ATOM 1158 OD1 ASP A 78 -7.694 -6.893 5.268 1.00 0.00 O ATOM 1159 OD2 ASP A 78 -8.060 -5.781 7.128 1.00 0.00 O ATOM 0 H ASP A 78 -5.441 -6.760 3.861 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.943 -6.095 6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.775 -4.856 6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -5.968 -4.752 5.198 1.00 0.00 H new ATOM 1164 N MET A 79 -4.564 -8.074 7.656 1.00 0.00 N ATOM 1165 CA MET A 79 -4.831 -9.292 8.412 1.00 0.00 C ATOM 1166 C MET A 79 -4.850 -10.509 7.492 1.00 0.00 C ATOM 1167 O MET A 79 -5.689 -11.398 7.641 1.00 0.00 O ATOM 1168 CB MET A 79 -6.164 -9.177 9.153 1.00 0.00 C ATOM 1169 CG MET A 79 -6.036 -8.586 10.547 1.00 0.00 C ATOM 1170 SD MET A 79 -7.548 -7.776 11.101 1.00 0.00 S ATOM 1171 CE MET A 79 -7.009 -6.070 11.182 1.00 0.00 C ATOM 0 H MET A 79 -3.831 -7.485 8.050 1.00 0.00 H new ATOM 0 HA MET A 79 -4.030 -9.421 9.140 1.00 0.00 H new ATOM 0 HB2 MET A 79 -6.844 -8.559 8.567 1.00 0.00 H new ATOM 0 HB3 MET A 79 -6.616 -10.166 9.227 1.00 0.00 H new ATOM 0 HG2 MET A 79 -5.774 -9.377 11.250 1.00 0.00 H new ATOM 0 HG3 MET A 79 -5.218 -7.866 10.558 1.00 0.00 H new ATOM 0 HE1 MET A 79 -7.837 -5.442 11.511 1.00 0.00 H new ATOM 0 HE2 MET A 79 -6.184 -5.982 11.889 1.00 0.00 H new ATOM 0 HE3 MET A 79 -6.678 -5.746 10.195 1.00 0.00 H new ATOM 1181 N ILE A 80 -3.921 -10.542 6.542 1.00 0.00 N ATOM 1182 CA ILE A 80 -3.832 -11.650 5.600 1.00 0.00 C ATOM 1183 C ILE A 80 -3.120 -12.845 6.223 1.00 0.00 C ATOM 1184 O ILE A 80 -2.241 -12.686 7.070 1.00 0.00 O ATOM 1185 CB ILE A 80 -3.091 -11.237 4.314 1.00 0.00 C ATOM 1186 CG1 ILE A 80 -4.014 -10.421 3.407 1.00 0.00 C ATOM 1187 CG2 ILE A 80 -2.573 -12.467 3.583 1.00 0.00 C ATOM 1188 CD1 ILE A 80 -3.594 -10.430 1.953 1.00 0.00 C ATOM 0 H ILE A 80 -3.220 -9.814 6.405 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.854 -11.932 5.346 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.239 -10.615 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.028 -10.813 3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.042 -9.391 3.763 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.052 -12.159 2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.885 -13.012 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.410 -13.113 3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.293 -9.832 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.592 -10.010 1.861 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.594 -11.454 1.581 1.00 0.00 H new ATOM 1200 N LYS A 81 -3.503 -14.044 5.795 1.00 0.00 N ATOM 1201 CA LYS A 81 -2.899 -15.268 6.308 1.00 0.00 C ATOM 1202 C LYS A 81 -1.825 -15.785 5.356 1.00 0.00 C ATOM 1203 O LYS A 81 -2.106 -16.583 4.461 1.00 0.00 O ATOM 1204 CB LYS A 81 -3.971 -16.341 6.516 1.00 0.00 C ATOM 1205 CG LYS A 81 -4.601 -16.312 7.897 1.00 0.00 C ATOM 1206 CD LYS A 81 -5.111 -17.683 8.307 1.00 0.00 C ATOM 1207 CE LYS A 81 -5.641 -17.678 9.732 1.00 0.00 C ATOM 1208 NZ LYS A 81 -5.585 -19.032 10.350 1.00 0.00 N ATOM 0 H LYS A 81 -4.229 -14.194 5.094 1.00 0.00 H new ATOM 0 HA LYS A 81 -2.431 -15.040 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -4.752 -16.212 5.767 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.528 -17.323 6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.868 -15.963 8.625 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -5.425 -15.599 7.907 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.901 -17.997 7.625 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.306 -18.413 8.220 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.059 -16.980 10.333 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.670 -17.320 9.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.955 -18.986 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.161 -19.693 9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.600 -19.364 10.371 1.00 0.00 H new ATOM 1222 N LEU A 82 -0.594 -15.327 5.556 1.00 0.00 N ATOM 1223 CA LEU A 82 0.523 -15.745 4.716 1.00 0.00 C ATOM 1224 C LEU A 82 1.376 -16.792 5.426 1.00 0.00 C ATOM 1225 O LEU A 82 1.587 -16.719 6.636 1.00 0.00 O ATOM 1226 CB LEU A 82 1.385 -14.537 4.342 1.00 0.00 C ATOM 1227 CG LEU A 82 2.594 -14.826 3.453 1.00 0.00 C ATOM 1228 CD1 LEU A 82 2.146 -15.239 2.059 1.00 0.00 C ATOM 1229 CD2 LEU A 82 3.507 -13.610 3.383 1.00 0.00 C ATOM 0 H LEU A 82 -0.344 -14.667 6.292 1.00 0.00 H new ATOM 0 HA LEU A 82 0.116 -16.189 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.753 -13.807 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.738 -14.069 5.261 1.00 0.00 H new ATOM 0 HG LEU A 82 3.154 -15.652 3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.021 -15.441 1.441 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.533 -16.138 2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.563 -14.435 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.363 -13.834 2.746 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.957 -12.765 2.968 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.856 -13.359 4.385 1.00 0.00 H new ATOM 1241 N TYR A 83 1.865 -17.764 4.663 1.00 0.00 N ATOM 1242 CA TYR A 83 2.695 -18.826 5.219 1.00 0.00 C ATOM 1243 C TYR A 83 2.421 -19.009 6.709 1.00 0.00 C ATOM 1244 O TYR A 83 3.334 -18.952 7.531 1.00 0.00 O ATOM 1245 CB TYR A 83 4.176 -18.515 4.995 1.00 0.00 C ATOM 1246 CG TYR A 83 4.480 -17.981 3.614 1.00 0.00 C ATOM 1247 CD1 TYR A 83 4.021 -18.635 2.478 1.00 0.00 C ATOM 1248 CD2 TYR A 83 5.227 -16.822 3.445 1.00 0.00 C ATOM 1249 CE1 TYR A 83 4.298 -18.152 1.214 1.00 0.00 C ATOM 1250 CE2 TYR A 83 5.508 -16.330 2.185 1.00 0.00 C ATOM 1251 CZ TYR A 83 5.041 -16.999 1.073 1.00 0.00 C ATOM 1252 OH TYR A 83 5.318 -16.513 -0.185 1.00 0.00 O ATOM 0 H TYR A 83 1.701 -17.838 3.659 1.00 0.00 H new ATOM 0 HA TYR A 83 2.444 -19.754 4.706 1.00 0.00 H new ATOM 0 HB2 TYR A 83 4.502 -17.786 5.737 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.758 -19.421 5.161 1.00 0.00 H new ATOM 0 HD1 TYR A 83 3.437 -19.537 2.585 1.00 0.00 H new ATOM 0 HD2 TYR A 83 5.595 -16.296 4.314 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.935 -18.674 0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 83 6.090 -15.427 2.071 1.00 0.00 H new ATOM 0 HH TYR A 83 4.592 -16.757 -0.797 1.00 0.00 H new ATOM 1262 N GLY A 84 1.155 -19.229 7.048 1.00 0.00 N ATOM 1263 CA GLY A 84 0.782 -19.418 8.438 1.00 0.00 C ATOM 1264 C GLY A 84 1.234 -18.271 9.320 1.00 0.00 C ATOM 1265 O GLY A 84 2.045 -18.458 10.227 1.00 0.00 O ATOM 0 H GLY A 84 0.381 -19.280 6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.301 -19.523 8.510 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.217 -20.348 8.805 1.00 0.00 H new ATOM 1269 N LYS A 85 0.709 -17.080 9.055 1.00 0.00 N ATOM 1270 CA LYS A 85 1.062 -15.897 9.830 1.00 0.00 C ATOM 1271 C LYS A 85 0.152 -14.724 9.480 1.00 0.00 C ATOM 1272 O LYS A 85 0.194 -14.184 8.374 1.00 0.00 O ATOM 1273 CB LYS A 85 2.523 -15.516 9.580 1.00 0.00 C ATOM 1274 CG LYS A 85 3.497 -16.175 10.541 1.00 0.00 C ATOM 1275 CD LYS A 85 4.735 -15.320 10.754 1.00 0.00 C ATOM 1276 CE LYS A 85 4.509 -14.269 11.830 1.00 0.00 C ATOM 1277 NZ LYS A 85 4.757 -14.810 13.195 1.00 0.00 N ATOM 0 H LYS A 85 0.036 -16.908 8.308 1.00 0.00 H new ATOM 0 HA LYS A 85 0.930 -16.133 10.886 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.791 -15.790 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.626 -14.434 9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.004 -16.348 11.498 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.790 -17.150 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.574 -15.956 11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.006 -14.831 9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.167 -13.419 11.651 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.486 -13.899 11.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.592 -14.063 13.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.111 -15.605 13.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.741 -15.140 13.264 1.00 0.00 H new ATOM 1291 N PRO A 86 -0.689 -14.318 10.442 1.00 0.00 N ATOM 1292 CA PRO A 86 -1.623 -13.204 10.258 1.00 0.00 C ATOM 1293 C PRO A 86 -0.911 -11.858 10.177 1.00 0.00 C ATOM 1294 O PRO A 86 -0.799 -11.144 11.174 1.00 0.00 O ATOM 1295 CB PRO A 86 -2.503 -13.269 11.509 1.00 0.00 C ATOM 1296 CG PRO A 86 -1.655 -13.939 12.534 1.00 0.00 C ATOM 1297 CD PRO A 86 -0.793 -14.916 11.784 1.00 0.00 C ATOM 0 HA PRO A 86 -2.179 -13.288 9.324 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -2.804 -12.273 11.834 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.417 -13.833 11.321 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.045 -13.213 13.071 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.269 -14.450 13.275 1.00 0.00 H new ATOM 0 HD2 PRO A 86 0.186 -15.029 12.251 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -1.246 -15.907 11.749 1.00 0.00 H new ATOM 1305 N ILE A 87 -0.433 -11.518 8.985 1.00 0.00 N ATOM 1306 CA ILE A 87 0.267 -10.256 8.775 1.00 0.00 C ATOM 1307 C ILE A 87 -0.634 -9.068 9.095 1.00 0.00 C ATOM 1308 O ILE A 87 -1.859 -9.187 9.096 1.00 0.00 O ATOM 1309 CB ILE A 87 0.772 -10.127 7.326 1.00 0.00 C ATOM 1310 CG1 ILE A 87 -0.408 -9.967 6.364 1.00 0.00 C ATOM 1311 CG2 ILE A 87 1.610 -11.339 6.947 1.00 0.00 C ATOM 1312 CD1 ILE A 87 -0.022 -9.371 5.029 1.00 0.00 C ATOM 0 H ILE A 87 -0.517 -12.098 8.150 1.00 0.00 H new ATOM 0 HA ILE A 87 1.122 -10.253 9.451 1.00 0.00 H new ATOM 0 HB ILE A 87 1.399 -9.239 7.253 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.866 -10.942 6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.163 -9.335 6.830 1.00 0.00 H new ATOM 0 HG21 ILE A 87 1.960 -11.233 5.920 1.00 0.00 H new ATOM 0 HG22 ILE A 87 2.467 -11.412 7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.004 -12.241 7.033 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.907 -9.287 4.399 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.409 -8.382 5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.711 -10.014 4.542 1.00 0.00 H new ATOM 1324 N ARG A 88 -0.018 -7.922 9.365 1.00 0.00 N ATOM 1325 CA ARG A 88 -0.764 -6.711 9.687 1.00 0.00 C ATOM 1326 C ARG A 88 -0.298 -5.541 8.826 1.00 0.00 C ATOM 1327 O ARG A 88 0.859 -5.124 8.899 1.00 0.00 O ATOM 1328 CB ARG A 88 -0.602 -6.365 11.168 1.00 0.00 C ATOM 1329 CG ARG A 88 -1.361 -7.297 12.098 1.00 0.00 C ATOM 1330 CD ARG A 88 -2.857 -7.024 12.061 1.00 0.00 C ATOM 1331 NE ARG A 88 -3.550 -7.619 13.200 1.00 0.00 N ATOM 1332 CZ ARG A 88 -3.842 -8.912 13.289 1.00 0.00 C ATOM 1333 NH1 ARG A 88 -3.502 -9.740 12.312 1.00 0.00 N ATOM 1334 NH2 ARG A 88 -4.475 -9.378 14.358 1.00 0.00 N ATOM 0 H ARG A 88 0.995 -7.806 9.367 1.00 0.00 H new ATOM 0 HA ARG A 88 -1.818 -6.897 9.478 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.457 -6.392 11.425 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.944 -5.343 11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.172 -8.332 11.812 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -0.993 -7.175 13.117 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.029 -5.948 12.054 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.275 -7.420 11.135 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.825 -7.009 13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.015 -9.385 11.489 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.727 -10.732 12.383 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.738 -8.743 15.112 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.699 -10.371 14.426 1.00 0.00 H new ATOM 1348 N VAL A 89 -1.205 -5.014 8.010 1.00 0.00 N ATOM 1349 CA VAL A 89 -0.888 -3.892 7.135 1.00 0.00 C ATOM 1350 C VAL A 89 -1.713 -2.662 7.498 1.00 0.00 C ATOM 1351 O VAL A 89 -2.927 -2.747 7.676 1.00 0.00 O ATOM 1352 CB VAL A 89 -1.136 -4.245 5.656 1.00 0.00 C ATOM 1353 CG1 VAL A 89 -1.047 -2.999 4.788 1.00 0.00 C ATOM 1354 CG2 VAL A 89 -0.147 -5.302 5.189 1.00 0.00 C ATOM 0 H VAL A 89 -2.166 -5.347 7.937 1.00 0.00 H new ATOM 0 HA VAL A 89 0.170 -3.671 7.275 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.142 -4.654 5.561 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.225 -3.268 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.798 -2.277 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.055 -2.558 4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.336 -5.540 4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.869 -4.923 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.264 -6.202 5.793 1.00 0.00 H new ATOM 1364 N ASN A 90 -1.044 -1.518 7.604 1.00 0.00 N ATOM 1365 CA ASN A 90 -1.716 -0.269 7.946 1.00 0.00 C ATOM 1366 C ASN A 90 -0.967 0.927 7.366 1.00 0.00 C ATOM 1367 O ASN A 90 0.073 0.772 6.727 1.00 0.00 O ATOM 1368 CB ASN A 90 -1.830 -0.127 9.465 1.00 0.00 C ATOM 1369 CG ASN A 90 -2.852 -1.077 10.059 1.00 0.00 C ATOM 1370 OD1 ASN A 90 -3.992 -0.695 10.321 1.00 0.00 O ATOM 1371 ND2 ASN A 90 -2.445 -2.322 10.276 1.00 0.00 N ATOM 0 H ASN A 90 -0.038 -1.430 7.458 1.00 0.00 H new ATOM 0 HA ASN A 90 -2.717 -0.293 7.514 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.857 -0.314 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.105 0.899 9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.087 -3.006 10.676 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.490 -2.594 10.043 1.00 0.00 H new ATOM 1378 N LYS A 91 -1.504 2.121 7.595 1.00 0.00 N ATOM 1379 CA LYS A 91 -0.887 3.345 7.098 1.00 0.00 C ATOM 1380 C LYS A 91 0.447 3.603 7.792 1.00 0.00 C ATOM 1381 O LYS A 91 0.498 3.791 9.007 1.00 0.00 O ATOM 1382 CB LYS A 91 -1.824 4.536 7.312 1.00 0.00 C ATOM 1383 CG LYS A 91 -2.749 4.801 6.137 1.00 0.00 C ATOM 1384 CD LYS A 91 -2.173 5.849 5.199 1.00 0.00 C ATOM 1385 CE LYS A 91 -1.365 5.211 4.079 1.00 0.00 C ATOM 1386 NZ LYS A 91 -2.240 4.550 3.072 1.00 0.00 N ATOM 0 H LYS A 91 -2.365 2.267 8.122 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.703 3.222 6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -2.425 4.359 8.204 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -1.227 5.428 7.502 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -2.917 3.874 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.719 5.134 6.505 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.982 6.442 4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.539 6.534 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -0.759 5.973 3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -0.677 4.478 4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -1.697 3.822 2.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.049 4.107 3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.586 5.259 2.394 1.00 0.00 H new ATOM 1400 N ALA A 92 1.523 3.612 7.012 1.00 0.00 N ATOM 1401 CA ALA A 92 2.855 3.850 7.552 1.00 0.00 C ATOM 1402 C ALA A 92 2.941 5.219 8.219 1.00 0.00 C ATOM 1403 O ALA A 92 3.501 5.355 9.307 1.00 0.00 O ATOM 1404 CB ALA A 92 3.899 3.732 6.451 1.00 0.00 C ATOM 0 H ALA A 92 1.498 3.457 6.004 1.00 0.00 H new ATOM 0 HA ALA A 92 3.053 3.092 8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.890 3.912 6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.863 2.731 6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.693 4.468 5.674 1.00 0.00 H new ATOM 1410 N SER A 93 2.382 6.229 7.561 1.00 0.00 N ATOM 1411 CA SER A 93 2.399 7.588 8.089 1.00 0.00 C ATOM 1412 C SER A 93 1.673 7.659 9.429 1.00 0.00 C ATOM 1413 O SER A 93 2.154 8.280 10.376 1.00 0.00 O ATOM 1414 CB SER A 93 1.752 8.553 7.093 1.00 0.00 C ATOM 1415 OG SER A 93 2.276 9.862 7.237 1.00 0.00 O ATOM 0 H SER A 93 1.912 6.132 6.661 1.00 0.00 H new ATOM 0 HA SER A 93 3.438 7.879 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 93 1.923 8.199 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.673 8.571 7.247 1.00 0.00 H new ATOM 0 HG SER A 93 1.848 10.459 6.588 1.00 0.00 H new ATOM 1421 N ALA A 94 0.510 7.019 9.499 1.00 0.00 N ATOM 1422 CA ALA A 94 -0.283 7.007 10.722 1.00 0.00 C ATOM 1423 C ALA A 94 0.613 7.009 11.957 1.00 0.00 C ATOM 1424 O ALA A 94 0.484 7.869 12.829 1.00 0.00 O ATOM 1425 CB ALA A 94 -1.207 5.799 10.740 1.00 0.00 C ATOM 0 H ALA A 94 0.096 6.502 8.723 1.00 0.00 H new ATOM 0 HA ALA A 94 -0.888 7.913 10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.793 5.803 11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.878 5.841 9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.613 4.886 10.692 1.00 0.00 H new ATOM 1431 N HIS A 95 1.520 6.039 12.026 1.00 0.00 N ATOM 1432 CA HIS A 95 2.437 5.929 13.154 1.00 0.00 C ATOM 1433 C HIS A 95 2.838 7.310 13.665 1.00 0.00 C ATOM 1434 O HIS A 95 2.673 7.617 14.845 1.00 0.00 O ATOM 1435 CB HIS A 95 3.683 5.140 12.751 1.00 0.00 C ATOM 1436 CG HIS A 95 3.480 3.656 12.756 1.00 0.00 C ATOM 1437 ND1 HIS A 95 3.831 2.852 13.819 1.00 0.00 N ATOM 1438 CD2 HIS A 95 2.956 2.832 11.819 1.00 0.00 C ATOM 1439 CE1 HIS A 95 3.534 1.596 13.536 1.00 0.00 C ATOM 1440 NE2 HIS A 95 3.001 1.557 12.328 1.00 0.00 N ATOM 0 H HIS A 95 1.639 5.318 11.314 1.00 0.00 H new ATOM 0 HA HIS A 95 1.924 5.399 13.957 1.00 0.00 H new ATOM 0 HB2 HIS A 95 3.994 5.452 11.754 1.00 0.00 H new ATOM 0 HB3 HIS A 95 4.497 5.389 13.432 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.574 3.123 10.852 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.699 0.746 14.182 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.676 0.716 11.851 1.00 0.00 H new ATOM 1448 N ASN A 96 3.365 8.137 12.769 1.00 0.00 N ATOM 1449 CA ASN A 96 3.791 9.485 13.130 1.00 0.00 C ATOM 1450 C ASN A 96 3.494 10.469 12.003 1.00 0.00 C ATOM 1451 O ASN A 96 4.160 10.465 10.967 1.00 0.00 O ATOM 1452 CB ASN A 96 5.286 9.500 13.454 1.00 0.00 C ATOM 1453 CG ASN A 96 6.080 8.559 12.568 1.00 0.00 C ATOM 1454 OD1 ASN A 96 6.455 7.464 12.985 1.00 0.00 O ATOM 1455 ND2 ASN A 96 6.339 8.985 11.337 1.00 0.00 N ATOM 0 H ASN A 96 3.508 7.898 11.788 1.00 0.00 H new ATOM 0 HA ASN A 96 3.231 9.792 14.014 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.670 10.514 13.338 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.431 9.221 14.498 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.869 8.396 10.695 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.008 9.901 11.034 1.00 0.00 H new ATOM 1462 N LYS A 97 2.489 11.313 12.211 1.00 0.00 N ATOM 1463 CA LYS A 97 2.104 12.305 11.215 1.00 0.00 C ATOM 1464 C LYS A 97 2.847 13.619 11.439 1.00 0.00 C ATOM 1465 O LYS A 97 3.617 14.059 10.588 1.00 0.00 O ATOM 1466 CB LYS A 97 0.593 12.547 11.264 1.00 0.00 C ATOM 1467 CG LYS A 97 -0.214 11.507 10.507 1.00 0.00 C ATOM 1468 CD LYS A 97 -1.666 11.494 10.954 1.00 0.00 C ATOM 1469 CE LYS A 97 -2.495 10.522 10.129 1.00 0.00 C ATOM 1470 NZ LYS A 97 -3.916 10.955 10.023 1.00 0.00 N ATOM 0 H LYS A 97 1.926 11.329 13.061 1.00 0.00 H new ATOM 0 HA LYS A 97 2.373 11.919 10.232 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.269 12.559 12.305 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.378 13.533 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.163 11.713 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.224 10.521 10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.721 11.218 12.007 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.084 12.497 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.066 10.436 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.450 9.531 10.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -4.447 10.266 9.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.333 11.013 10.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.961 11.889 9.568 1.00 0.00 H new ATOM 1484 N ASN A 98 2.611 14.238 12.591 1.00 0.00 N ATOM 1485 CA ASN A 98 3.259 15.500 12.927 1.00 0.00 C ATOM 1486 C ASN A 98 4.418 15.276 13.894 1.00 0.00 C ATOM 1487 O ASN A 98 4.628 14.165 14.382 1.00 0.00 O ATOM 1488 CB ASN A 98 2.247 16.469 13.543 1.00 0.00 C ATOM 1489 CG ASN A 98 1.267 15.772 14.466 1.00 0.00 C ATOM 1490 OD1 ASN A 98 0.503 14.906 14.039 1.00 0.00 O ATOM 1491 ND2 ASN A 98 1.283 16.149 15.739 1.00 0.00 N ATOM 0 H ASN A 98 1.976 13.886 13.307 1.00 0.00 H new ATOM 0 HA ASN A 98 3.654 15.933 12.008 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.779 17.241 14.099 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.698 16.971 12.747 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.645 15.717 16.407 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.933 16.871 16.049 1.00 0.00 H new ATOM 1498 N LEU A 99 5.167 16.339 14.167 1.00 0.00 N ATOM 1499 CA LEU A 99 6.305 16.260 15.076 1.00 0.00 C ATOM 1500 C LEU A 99 6.141 17.232 16.240 1.00 0.00 C ATOM 1501 O LEU A 99 6.483 16.916 17.379 1.00 0.00 O ATOM 1502 CB LEU A 99 7.604 16.559 14.326 1.00 0.00 C ATOM 1503 CG LEU A 99 7.718 17.955 13.711 1.00 0.00 C ATOM 1504 CD1 LEU A 99 9.178 18.342 13.535 1.00 0.00 C ATOM 1505 CD2 LEU A 99 6.984 18.012 12.380 1.00 0.00 C ATOM 0 H LEU A 99 5.007 17.266 13.772 1.00 0.00 H new ATOM 0 HA LEU A 99 6.349 15.247 15.476 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.438 16.418 15.014 1.00 0.00 H new ATOM 0 HB3 LEU A 99 7.718 15.823 13.530 1.00 0.00 H new ATOM 0 HG LEU A 99 7.253 18.670 14.390 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.240 19.338 13.096 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.674 18.341 14.506 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.668 17.624 12.877 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.075 19.012 11.957 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.419 17.286 11.693 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.931 17.779 12.535 1.00 0.00 H new ATOM 1517 N SER A 100 5.613 18.416 15.946 1.00 0.00 N ATOM 1518 CA SER A 100 5.405 19.436 16.967 1.00 0.00 C ATOM 1519 C SER A 100 3.917 19.636 17.239 1.00 0.00 C ATOM 1520 O SER A 100 3.466 19.551 18.380 1.00 0.00 O ATOM 1521 CB SER A 100 6.039 20.759 16.534 1.00 0.00 C ATOM 1522 OG SER A 100 5.577 21.832 17.336 1.00 0.00 O ATOM 0 H SER A 100 5.321 18.693 15.009 1.00 0.00 H new ATOM 0 HA SER A 100 5.883 19.097 17.886 1.00 0.00 H new ATOM 0 HB2 SER A 100 7.124 20.687 16.607 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.802 20.954 15.488 1.00 0.00 H new ATOM 0 HG SER A 100 5.998 22.666 17.040 1.00 0.00 H new ATOM 1528 N GLY A 101 3.159 19.904 16.180 1.00 0.00 N ATOM 1529 CA GLY A 101 1.730 20.113 16.324 1.00 0.00 C ATOM 1530 C GLY A 101 1.289 21.473 15.819 1.00 0.00 C ATOM 1531 O GLY A 101 1.971 22.480 16.010 1.00 0.00 O ATOM 0 H GLY A 101 3.509 19.980 15.225 1.00 0.00 H new ATOM 0 HA2 GLY A 101 1.195 19.335 15.778 1.00 0.00 H new ATOM 0 HA3 GLY A 101 1.455 20.012 17.374 1.00 0.00 H new ATOM 1535 N PRO A 102 0.124 21.513 15.157 1.00 0.00 N ATOM 1536 CA PRO A 102 -0.432 22.753 14.608 1.00 0.00 C ATOM 1537 C PRO A 102 -0.907 23.707 15.699 1.00 0.00 C ATOM 1538 O PRO A 102 -0.795 23.411 16.888 1.00 0.00 O ATOM 1539 CB PRO A 102 -1.617 22.270 13.768 1.00 0.00 C ATOM 1540 CG PRO A 102 -2.012 20.971 14.382 1.00 0.00 C ATOM 1541 CD PRO A 102 -0.741 20.351 14.892 1.00 0.00 C ATOM 0 HA PRO A 102 0.309 23.316 14.040 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -2.438 22.986 13.794 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -1.336 22.144 12.722 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -2.725 21.123 15.193 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.495 20.324 13.650 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.914 19.765 15.795 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.298 19.680 14.156 1.00 0.00 H new ATOM 1549 N SER A 103 -1.438 24.854 15.286 1.00 0.00 N ATOM 1550 CA SER A 103 -1.927 25.853 16.228 1.00 0.00 C ATOM 1551 C SER A 103 -3.301 26.368 15.810 1.00 0.00 C ATOM 1552 O SER A 103 -3.414 27.245 14.954 1.00 0.00 O ATOM 1553 CB SER A 103 -0.941 27.019 16.325 1.00 0.00 C ATOM 1554 OG SER A 103 -0.822 27.690 15.083 1.00 0.00 O ATOM 0 H SER A 103 -1.540 25.114 14.305 1.00 0.00 H new ATOM 0 HA SER A 103 -2.018 25.380 17.206 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.276 27.720 17.090 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.036 26.649 16.637 1.00 0.00 H new ATOM 0 HG SER A 103 -1.714 27.838 14.704 1.00 0.00 H new ATOM 1560 N SER A 104 -4.344 25.815 16.422 1.00 0.00 N ATOM 1561 CA SER A 104 -5.712 26.215 16.111 1.00 0.00 C ATOM 1562 C SER A 104 -5.864 27.731 16.181 1.00 0.00 C ATOM 1563 O SER A 104 -5.399 28.370 17.124 1.00 0.00 O ATOM 1564 CB SER A 104 -6.692 25.547 17.077 1.00 0.00 C ATOM 1565 OG SER A 104 -6.605 26.120 18.370 1.00 0.00 O ATOM 0 H SER A 104 -4.268 25.090 17.135 1.00 0.00 H new ATOM 0 HA SER A 104 -5.937 25.892 15.095 1.00 0.00 H new ATOM 0 HB2 SER A 104 -7.709 25.651 16.698 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.480 24.479 17.134 1.00 0.00 H new ATOM 0 HG SER A 104 -7.243 25.677 18.968 1.00 0.00 H new ATOM 1571 N GLY A 105 -6.521 28.301 15.175 1.00 0.00 N ATOM 1572 CA GLY A 105 -6.723 29.738 15.141 1.00 0.00 C ATOM 1573 C GLY A 105 -5.516 30.506 15.640 1.00 0.00 C ATOM 1574 O GLY A 105 -4.385 30.222 15.245 1.00 0.00 O ATOM 0 H GLY A 105 -6.917 27.794 14.384 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.949 30.046 14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -7.590 29.994 15.750 1.00 0.00 H new TER 1578 GLY A 105