USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 973 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -8.98! C(o=-9!,f=-21!) USER MOD Single : A 15 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.44) USER MOD Single : A 16 ASN : amide:sc= -2.73! C(o=-2.7!,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot 49:sc= -1.84 USER MOD Single : A 31 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.7) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0.471 (180deg=-0.935) USER MOD Single : A 42 MET CE :methyl 176:sc= -2.25 (180deg=-2.44) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 48 GLN : amide:sc= -0.0481 X(o=-0.048,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0194 USER MOD Single : A 63 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.1!) USER MOD Single : A 64 HIS : no HD1:sc= -14.1! C(o=-14!,f=-20!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-1.2) USER MOD Single : A 81 THR OG1 : rot -140:sc= -0.435 USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.203) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -157:sc= -0.126 (180deg=-0.634) USER MOD Single : A 106 SER OG : rot -83:sc= 0.733 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -3.91! C(o=-3.9!,f=-11!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.804 -5.798 -3.765 1.00 0.00 N ATOM 21 CA LYS A 2 -20.755 -5.042 -4.440 1.00 0.00 C ATOM 22 C LYS A 2 -19.396 -5.306 -3.800 1.00 0.00 C ATOM 23 O LYS A 2 -19.120 -4.843 -2.693 1.00 0.00 O ATOM 24 CB LYS A 2 -21.069 -3.545 -4.399 1.00 0.00 C ATOM 25 CG LYS A 2 -20.563 -2.785 -5.614 1.00 0.00 C ATOM 26 CD LYS A 2 -21.525 -1.680 -6.021 1.00 0.00 C ATOM 27 CE LYS A 2 -21.542 -1.483 -7.527 1.00 0.00 C ATOM 28 NZ LYS A 2 -22.893 -1.100 -8.024 1.00 0.00 N ATOM 0 HA LYS A 2 -20.717 -5.370 -5.479 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.148 -3.410 -4.320 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.627 -3.114 -3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.586 -2.355 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.428 -3.476 -6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -22.529 -1.924 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.237 -0.748 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -20.823 -0.711 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.223 -2.403 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -22.861 -0.975 -9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -23.575 -1.848 -7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -23.188 -0.209 -7.577 1.00 0.00 H new ATOM 42 N LYS A 3 -18.552 -6.054 -4.503 1.00 0.00 N ATOM 43 CA LYS A 3 -17.222 -6.381 -4.003 1.00 0.00 C ATOM 44 C LYS A 3 -16.157 -5.546 -4.705 1.00 0.00 C ATOM 45 O LYS A 3 -16.293 -5.210 -5.882 1.00 0.00 O ATOM 46 CB LYS A 3 -16.931 -7.870 -4.201 1.00 0.00 C ATOM 47 CG LYS A 3 -16.900 -8.296 -5.660 1.00 0.00 C ATOM 48 CD LYS A 3 -15.479 -8.341 -6.196 1.00 0.00 C ATOM 49 CE LYS A 3 -14.898 -9.744 -6.117 1.00 0.00 C ATOM 50 NZ LYS A 3 -13.446 -9.764 -6.447 1.00 0.00 N ATOM 0 H LYS A 3 -18.766 -6.445 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.195 -6.151 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.972 -8.108 -3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.689 -8.452 -3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.360 -9.279 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.493 -7.602 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.468 -7.999 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -14.852 -7.654 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -15.048 -10.143 -5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.435 -10.398 -6.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -13.089 -10.738 -6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -13.305 -9.408 -7.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -12.929 -9.160 -5.776 1.00 0.00 H new ATOM 64 N LEU A 4 -15.099 -5.211 -3.976 1.00 0.00 N ATOM 65 CA LEU A 4 -14.012 -4.411 -4.528 1.00 0.00 C ATOM 66 C LEU A 4 -12.668 -4.826 -3.931 1.00 0.00 C ATOM 67 O LEU A 4 -12.548 -5.027 -2.723 1.00 0.00 O ATOM 68 CB LEU A 4 -14.267 -2.927 -4.273 1.00 0.00 C ATOM 69 CG LEU A 4 -14.764 -2.591 -2.867 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.589 -2.396 -1.924 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.643 -1.350 -2.895 1.00 0.00 C ATOM 0 H LEU A 4 -14.971 -5.481 -3.001 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.974 -4.585 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.344 -2.378 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.000 -2.570 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.363 -3.425 -2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.959 -2.157 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.000 -3.312 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.965 -1.579 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.988 -1.126 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -15.069 -0.506 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.503 -1.528 -3.541 1.00 0.00 H new ATOM 83 N GLN A 5 -11.668 -4.967 -4.794 1.00 0.00 N ATOM 84 CA GLN A 5 -10.333 -5.374 -4.370 1.00 0.00 C ATOM 85 C GLN A 5 -9.361 -4.202 -4.316 1.00 0.00 C ATOM 86 O GLN A 5 -9.490 -3.230 -5.060 1.00 0.00 O ATOM 87 CB GLN A 5 -9.779 -6.428 -5.321 1.00 0.00 C ATOM 88 CG GLN A 5 -10.734 -7.580 -5.546 1.00 0.00 C ATOM 89 CD GLN A 5 -10.064 -8.785 -6.180 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.179 -9.011 -7.384 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.360 -9.565 -5.368 1.00 0.00 N ATOM 0 H GLN A 5 -11.758 -4.804 -5.797 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.432 -5.782 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.549 -5.961 -6.279 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.841 -6.813 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.172 -7.874 -4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.553 -7.248 -6.184 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.292 -9.339 -4.376 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.887 -10.390 -5.737 1.00 0.00 H new ATOM 100 N ILE A 6 -8.377 -4.326 -3.437 1.00 0.00 N ATOM 101 CA ILE A 6 -7.346 -3.313 -3.270 1.00 0.00 C ATOM 102 C ILE A 6 -6.020 -3.974 -2.901 1.00 0.00 C ATOM 103 O ILE A 6 -5.962 -4.785 -1.977 1.00 0.00 O ATOM 104 CB ILE A 6 -7.741 -2.284 -2.189 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.881 -1.401 -2.696 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.547 -1.431 -1.791 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.552 -0.669 -3.979 1.00 0.00 C ATOM 0 H ILE A 6 -8.271 -5.131 -2.820 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.236 -2.784 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.080 -2.826 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.765 -2.018 -2.856 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.136 -0.672 -1.926 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.850 -0.714 -1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.759 -2.071 -1.394 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.175 -0.896 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.405 -0.062 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.687 -0.025 -3.819 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.326 -1.392 -4.763 1.00 0.00 H new ATOM 119 N ALA A 7 -4.956 -3.627 -3.620 1.00 0.00 N ATOM 120 CA ALA A 7 -3.643 -4.200 -3.345 1.00 0.00 C ATOM 121 C ALA A 7 -2.626 -3.105 -3.098 1.00 0.00 C ATOM 122 O ALA A 7 -2.452 -2.225 -3.931 1.00 0.00 O ATOM 123 CB ALA A 7 -3.193 -5.080 -4.502 1.00 0.00 C ATOM 0 H ALA A 7 -4.976 -2.958 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.720 -4.814 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.212 -5.499 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.910 -5.889 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.135 -4.483 -5.412 1.00 0.00 H new ATOM 129 N VAL A 8 -1.948 -3.161 -1.959 1.00 0.00 N ATOM 130 CA VAL A 8 -0.952 -2.152 -1.631 1.00 0.00 C ATOM 131 C VAL A 8 0.437 -2.756 -1.485 1.00 0.00 C ATOM 132 O VAL A 8 0.592 -3.962 -1.295 1.00 0.00 O ATOM 133 CB VAL A 8 -1.321 -1.365 -0.346 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.775 -1.597 0.043 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.395 -1.725 0.811 1.00 0.00 C ATOM 0 H VAL A 8 -2.068 -3.888 -1.253 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.941 -1.454 -2.468 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.191 -0.305 -0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.004 -1.033 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.426 -1.266 -0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.937 -2.659 0.227 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.680 -1.156 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.475 -2.791 1.023 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.634 -1.485 0.542 1.00 0.00 H new ATOM 145 N GLY A 9 1.440 -1.894 -1.570 1.00 0.00 N ATOM 146 CA GLY A 9 2.812 -2.327 -1.440 1.00 0.00 C ATOM 147 C GLY A 9 3.697 -1.234 -0.883 1.00 0.00 C ATOM 148 O GLY A 9 3.936 -0.224 -1.546 1.00 0.00 O ATOM 0 H GLY A 9 1.323 -0.893 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.857 -3.199 -0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.189 -2.638 -2.414 1.00 0.00 H new ATOM 152 N ILE A 10 4.188 -1.430 0.332 1.00 0.00 N ATOM 153 CA ILE A 10 5.056 -0.440 0.965 1.00 0.00 C ATOM 154 C ILE A 10 6.443 -0.481 0.335 1.00 0.00 C ATOM 155 O ILE A 10 7.213 -1.410 0.574 1.00 0.00 O ATOM 156 CB ILE A 10 5.183 -0.639 2.500 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.401 -1.868 2.981 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.704 0.607 3.230 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.451 -2.071 4.479 1.00 0.00 C ATOM 0 H ILE A 10 4.004 -2.258 0.898 1.00 0.00 H new ATOM 0 HA ILE A 10 4.592 0.532 0.800 1.00 0.00 H new ATOM 0 HB ILE A 10 6.236 -0.808 2.727 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.361 -1.770 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.798 -2.756 2.489 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.797 0.457 4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.311 1.461 2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.660 0.797 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.876 -2.958 4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.486 -2.201 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.026 -1.200 4.979 1.00 0.00 H new ATOM 171 N ILE A 11 6.745 0.520 -0.488 1.00 0.00 N ATOM 172 CA ILE A 11 8.032 0.586 -1.177 1.00 0.00 C ATOM 173 C ILE A 11 9.173 0.923 -0.225 1.00 0.00 C ATOM 174 O ILE A 11 9.136 1.931 0.481 1.00 0.00 O ATOM 175 CB ILE A 11 8.022 1.618 -2.324 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.633 1.700 -2.969 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.074 1.247 -3.360 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.635 2.353 -4.334 1.00 0.00 C ATOM 0 H ILE A 11 6.117 1.297 -0.694 1.00 0.00 H new ATOM 0 HA ILE A 11 8.195 -0.408 -1.592 1.00 0.00 H new ATOM 0 HB ILE A 11 8.260 2.600 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.223 0.694 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.968 2.258 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.063 1.979 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.058 1.238 -2.892 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.855 0.258 -3.763 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.619 2.376 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.014 3.371 -4.250 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.273 1.783 -5.009 1.00 0.00 H new ATOM 190 N ARG A 12 10.188 0.063 -0.216 1.00 0.00 N ATOM 191 CA ARG A 12 11.354 0.247 0.642 1.00 0.00 C ATOM 192 C ARG A 12 12.468 0.980 -0.092 1.00 0.00 C ATOM 193 O ARG A 12 12.776 0.673 -1.247 1.00 0.00 O ATOM 194 CB ARG A 12 11.869 -1.104 1.137 1.00 0.00 C ATOM 195 CG ARG A 12 11.481 -1.409 2.570 1.00 0.00 C ATOM 196 CD ARG A 12 12.701 -1.548 3.466 1.00 0.00 C ATOM 197 NE ARG A 12 13.543 -2.676 3.075 1.00 0.00 N ATOM 198 CZ ARG A 12 13.270 -3.944 3.378 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.182 -4.248 4.072 1.00 0.00 N ATOM 200 NH2 ARG A 12 14.088 -4.910 2.983 1.00 0.00 N ATOM 0 H ARG A 12 10.226 -0.774 -0.798 1.00 0.00 H new ATOM 0 HA ARG A 12 11.046 0.851 1.495 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.483 -1.891 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.955 -1.124 1.051 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.839 -0.614 2.950 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.900 -2.331 2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.286 -0.629 3.427 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.379 -1.677 4.499 1.00 0.00 H new ATOM 0 HE ARG A 12 14.389 -2.481 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.549 -3.509 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.978 -5.221 4.301 1.00 0.00 H new ATOM 0 HH21 ARG A 12 14.926 -4.682 2.448 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.880 -5.881 3.215 1.00 0.00 H new ATOM 214 N ASN A 13 13.068 1.947 0.598 1.00 0.00 N ATOM 215 CA ASN A 13 14.158 2.741 0.031 1.00 0.00 C ATOM 216 C ASN A 13 15.527 2.149 0.363 1.00 0.00 C ATOM 217 O ASN A 13 15.633 1.053 0.914 1.00 0.00 O ATOM 218 CB ASN A 13 14.093 4.187 0.530 1.00 0.00 C ATOM 219 CG ASN A 13 13.766 4.283 2.001 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.558 3.874 2.849 1.00 0.00 O ATOM 221 ND2 ASN A 13 12.589 4.817 2.310 1.00 0.00 N ATOM 0 H ASN A 13 12.818 2.201 1.554 1.00 0.00 H new ATOM 0 HA ASN A 13 14.032 2.724 -1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.049 4.675 0.342 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.340 4.730 -0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.308 4.902 3.287 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.966 5.142 1.570 1.00 0.00 H new ATOM 228 N GLU A 14 16.568 2.890 -0.003 1.00 0.00 N ATOM 229 CA GLU A 14 17.951 2.476 0.213 1.00 0.00 C ATOM 230 C GLU A 14 18.393 2.617 1.675 1.00 0.00 C ATOM 231 O GLU A 14 19.532 2.296 2.012 1.00 0.00 O ATOM 232 CB GLU A 14 18.862 3.323 -0.677 1.00 0.00 C ATOM 233 CG GLU A 14 20.349 3.069 -0.471 1.00 0.00 C ATOM 234 CD GLU A 14 20.701 1.594 -0.499 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.380 0.926 -1.504 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.299 1.108 0.484 1.00 0.00 O ATOM 0 H GLU A 14 16.476 3.798 -0.459 1.00 0.00 H new ATOM 0 HA GLU A 14 18.023 1.419 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.613 3.130 -1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.656 4.377 -0.490 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.913 3.587 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.657 3.494 0.485 1.00 0.00 H new ATOM 243 N ASN A 15 17.509 3.105 2.538 1.00 0.00 N ATOM 244 CA ASN A 15 17.854 3.285 3.947 1.00 0.00 C ATOM 245 C ASN A 15 16.950 2.457 4.852 1.00 0.00 C ATOM 246 O ASN A 15 16.510 2.927 5.901 1.00 0.00 O ATOM 247 CB ASN A 15 17.758 4.764 4.327 1.00 0.00 C ATOM 248 CG ASN A 15 18.358 5.050 5.690 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.707 5.636 6.556 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.604 4.638 5.887 1.00 0.00 N ATOM 0 H ASN A 15 16.558 3.381 2.293 1.00 0.00 H new ATOM 0 HA ASN A 15 18.879 2.940 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.270 5.364 3.574 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.712 5.071 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.060 4.803 6.784 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.106 4.156 5.141 1.00 0.00 H new ATOM 257 N ASN A 16 16.668 1.225 4.436 1.00 0.00 N ATOM 258 CA ASN A 16 15.806 0.327 5.206 1.00 0.00 C ATOM 259 C ASN A 16 14.535 1.040 5.665 1.00 0.00 C ATOM 260 O ASN A 16 13.909 0.651 6.650 1.00 0.00 O ATOM 261 CB ASN A 16 16.562 -0.245 6.412 1.00 0.00 C ATOM 262 CG ASN A 16 16.850 0.798 7.476 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.962 1.194 8.230 1.00 0.00 O ATOM 264 ND2 ASN A 16 18.098 1.248 7.541 1.00 0.00 N ATOM 0 H ASN A 16 17.024 0.823 3.568 1.00 0.00 H new ATOM 0 HA ASN A 16 15.515 -0.496 4.554 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.977 -1.053 6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.502 -0.680 6.072 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.351 1.950 8.236 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.803 0.892 6.896 1.00 0.00 H new ATOM 271 N GLU A 17 14.155 2.076 4.925 1.00 0.00 N ATOM 272 CA GLU A 17 12.958 2.844 5.222 1.00 0.00 C ATOM 273 C GLU A 17 11.955 2.654 4.092 1.00 0.00 C ATOM 274 O GLU A 17 12.324 2.218 3.005 1.00 0.00 O ATOM 275 CB GLU A 17 13.296 4.327 5.411 1.00 0.00 C ATOM 276 CG GLU A 17 14.078 4.618 6.683 1.00 0.00 C ATOM 277 CD GLU A 17 13.783 5.994 7.247 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.180 6.816 6.525 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.157 6.251 8.411 1.00 0.00 O ATOM 0 H GLU A 17 14.668 2.404 4.106 1.00 0.00 H new ATOM 0 HA GLU A 17 12.521 2.488 6.155 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.874 4.671 4.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.371 4.903 5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.839 3.863 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.145 4.535 6.476 1.00 0.00 H new ATOM 286 N ILE A 18 10.689 2.944 4.347 1.00 0.00 N ATOM 287 CA ILE A 18 9.660 2.759 3.329 1.00 0.00 C ATOM 288 C ILE A 18 9.001 4.081 2.933 1.00 0.00 C ATOM 289 O ILE A 18 8.713 4.926 3.780 1.00 0.00 O ATOM 290 CB ILE A 18 8.604 1.743 3.825 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.497 0.556 2.866 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.242 2.396 4.023 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.482 -0.783 3.571 1.00 0.00 C ATOM 0 H ILE A 18 10.349 3.304 5.239 1.00 0.00 H new ATOM 0 HA ILE A 18 10.141 2.365 2.434 1.00 0.00 H new ATOM 0 HB ILE A 18 8.938 1.376 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.588 0.657 2.274 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.336 0.583 2.170 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.528 1.650 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.324 3.193 4.762 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.898 2.813 3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.405 -1.582 2.833 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.403 -0.904 4.142 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.628 -0.829 4.247 1.00 0.00 H new ATOM 305 N PHE A 19 8.767 4.245 1.632 1.00 0.00 N ATOM 306 CA PHE A 19 8.145 5.453 1.098 1.00 0.00 C ATOM 307 C PHE A 19 6.622 5.385 1.233 1.00 0.00 C ATOM 308 O PHE A 19 5.943 4.745 0.430 1.00 0.00 O ATOM 309 CB PHE A 19 8.572 5.645 -0.371 1.00 0.00 C ATOM 310 CG PHE A 19 7.486 6.106 -1.310 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.147 7.446 -1.400 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.816 5.194 -2.112 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.160 7.869 -2.271 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.829 5.611 -2.985 1.00 0.00 C ATOM 315 CZ PHE A 19 5.501 6.950 -3.065 1.00 0.00 C ATOM 0 H PHE A 19 9.002 3.549 0.924 1.00 0.00 H new ATOM 0 HA PHE A 19 8.482 6.315 1.673 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.386 6.369 -0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.971 4.701 -0.741 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.660 8.169 -0.783 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.069 4.146 -2.054 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.904 8.917 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.315 4.891 -3.604 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.731 7.278 -3.747 1.00 0.00 H new ATOM 325 N ILE A 20 6.095 6.049 2.259 1.00 0.00 N ATOM 326 CA ILE A 20 4.667 6.070 2.507 1.00 0.00 C ATOM 327 C ILE A 20 4.123 7.490 2.378 1.00 0.00 C ATOM 328 O ILE A 20 4.483 8.373 3.155 1.00 0.00 O ATOM 329 CB ILE A 20 4.335 5.539 3.916 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.561 5.608 4.833 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.806 4.115 3.839 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.234 5.393 6.294 1.00 0.00 C ATOM 0 H ILE A 20 6.645 6.581 2.933 1.00 0.00 H new ATOM 0 HA ILE A 20 4.200 5.424 1.763 1.00 0.00 H new ATOM 0 HB ILE A 20 3.559 6.175 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 20 6.285 4.857 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.039 6.581 4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.577 3.757 4.843 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.901 4.095 3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.560 3.471 3.387 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.148 5.455 6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.534 6.160 6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.784 4.409 6.425 1.00 0.00 H new ATOM 344 N THR A 21 3.260 7.706 1.393 1.00 0.00 N ATOM 345 CA THR A 21 2.676 9.024 1.170 1.00 0.00 C ATOM 346 C THR A 21 1.582 9.318 2.193 1.00 0.00 C ATOM 347 O THR A 21 0.617 8.566 2.318 1.00 0.00 O ATOM 348 CB THR A 21 2.108 9.117 -0.246 1.00 0.00 C ATOM 349 OG1 THR A 21 1.609 10.418 -0.503 1.00 0.00 O ATOM 350 CG2 THR A 21 0.988 8.134 -0.508 1.00 0.00 C ATOM 0 H THR A 21 2.949 6.989 0.738 1.00 0.00 H new ATOM 0 HA THR A 21 3.464 9.768 1.288 1.00 0.00 H new ATOM 0 HB THR A 21 2.941 8.877 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.278 11.083 -0.239 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.631 8.254 -1.531 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.356 7.118 -0.369 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.169 8.322 0.187 1.00 0.00 H new ATOM 358 N ARG A 22 1.736 10.420 2.918 1.00 0.00 N ATOM 359 CA ARG A 22 0.757 10.814 3.925 1.00 0.00 C ATOM 360 C ARG A 22 -0.365 11.628 3.293 1.00 0.00 C ATOM 361 O ARG A 22 -0.336 12.859 3.306 1.00 0.00 O ATOM 362 CB ARG A 22 1.430 11.624 5.035 1.00 0.00 C ATOM 363 CG ARG A 22 0.485 12.017 6.159 1.00 0.00 C ATOM 364 CD ARG A 22 1.089 11.729 7.525 1.00 0.00 C ATOM 365 NE ARG A 22 2.264 12.556 7.790 1.00 0.00 N ATOM 366 CZ ARG A 22 3.171 12.278 8.723 1.00 0.00 C ATOM 367 NH1 ARG A 22 3.043 11.196 9.482 1.00 0.00 N ATOM 368 NH2 ARG A 22 4.210 13.083 8.899 1.00 0.00 N ATOM 0 H ARG A 22 2.528 11.056 2.828 1.00 0.00 H new ATOM 0 HA ARG A 22 0.330 9.909 4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.253 11.042 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.863 12.526 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.248 13.078 6.082 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.453 11.472 6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.340 11.906 8.297 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.366 10.676 7.584 1.00 0.00 H new ATOM 0 HE ARG A 22 2.397 13.396 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 22 2.246 10.573 9.351 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.742 10.988 10.196 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.314 13.916 8.319 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.905 12.870 9.614 1.00 0.00 H new ATOM 493 N ASN A 31 -4.711 11.808 9.032 1.00 0.00 N ATOM 494 CA ASN A 31 -4.842 10.532 9.727 1.00 0.00 C ATOM 495 C ASN A 31 -5.149 9.389 8.755 1.00 0.00 C ATOM 496 O ASN A 31 -5.536 8.301 9.177 1.00 0.00 O ATOM 497 CB ASN A 31 -5.943 10.625 10.787 1.00 0.00 C ATOM 498 CG ASN A 31 -5.391 10.591 12.199 1.00 0.00 C ATOM 499 OD1 ASN A 31 -5.846 9.813 13.036 1.00 0.00 O ATOM 500 ND2 ASN A 31 -4.403 11.437 12.468 1.00 0.00 N ATOM 0 HA ASN A 31 -3.888 10.315 10.208 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.506 11.547 10.642 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.643 9.800 10.653 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.990 11.459 13.400 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.057 12.065 11.742 1.00 0.00 H new ATOM 507 N LYS A 32 -4.983 9.638 7.457 1.00 0.00 N ATOM 508 CA LYS A 32 -5.250 8.619 6.447 1.00 0.00 C ATOM 509 C LYS A 32 -3.980 8.207 5.713 1.00 0.00 C ATOM 510 O LYS A 32 -4.028 7.760 4.567 1.00 0.00 O ATOM 511 CB LYS A 32 -6.301 9.104 5.451 1.00 0.00 C ATOM 512 CG LYS A 32 -7.646 8.416 5.610 1.00 0.00 C ATOM 513 CD LYS A 32 -8.651 9.310 6.321 1.00 0.00 C ATOM 514 CE LYS A 32 -9.743 8.494 6.995 1.00 0.00 C ATOM 515 NZ LYS A 32 -10.082 9.024 8.344 1.00 0.00 N ATOM 0 H LYS A 32 -4.666 10.532 7.083 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.636 7.742 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.435 10.179 5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.934 8.939 4.438 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.033 8.141 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.518 7.491 6.173 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.137 9.917 7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.099 9.998 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.636 8.496 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.419 7.457 7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.830 8.440 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.237 8.998 8.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.416 10.005 8.258 1.00 0.00 H new ATOM 529 N LEU A 33 -2.850 8.359 6.380 1.00 0.00 N ATOM 530 CA LEU A 33 -1.559 8.004 5.802 1.00 0.00 C ATOM 531 C LEU A 33 -1.608 6.610 5.175 1.00 0.00 C ATOM 532 O LEU A 33 -1.842 5.619 5.865 1.00 0.00 O ATOM 533 CB LEU A 33 -0.481 8.057 6.886 1.00 0.00 C ATOM 534 CG LEU A 33 0.951 8.286 6.392 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.950 7.998 7.501 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.249 7.425 5.172 1.00 0.00 C ATOM 0 H LEU A 33 -2.797 8.728 7.329 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.319 8.720 5.016 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.735 8.853 7.586 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.507 7.121 7.444 1.00 0.00 H new ATOM 0 HG LEU A 33 1.046 9.332 6.102 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.962 8.166 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.757 8.660 8.345 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.848 6.961 7.822 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.271 7.606 4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.132 6.373 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.557 7.679 4.369 1.00 0.00 H new ATOM 548 N GLU A 34 -1.388 6.539 3.866 1.00 0.00 N ATOM 549 CA GLU A 34 -1.410 5.262 3.157 1.00 0.00 C ATOM 550 C GLU A 34 -0.383 5.246 2.031 1.00 0.00 C ATOM 551 O GLU A 34 0.232 6.264 1.726 1.00 0.00 O ATOM 552 CB GLU A 34 -2.807 4.983 2.600 1.00 0.00 C ATOM 553 CG GLU A 34 -3.735 4.306 3.597 1.00 0.00 C ATOM 554 CD GLU A 34 -3.337 2.871 3.880 1.00 0.00 C ATOM 555 OE1 GLU A 34 -2.870 2.189 2.944 1.00 0.00 O ATOM 556 OE2 GLU A 34 -3.494 2.429 5.037 1.00 0.00 O ATOM 0 H GLU A 34 -1.193 7.347 3.275 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.152 4.477 3.868 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.256 5.923 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.717 4.354 1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.735 4.870 4.530 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.754 4.328 3.212 1.00 0.00 H new ATOM 563 N PHE A 35 -0.189 4.078 1.427 1.00 0.00 N ATOM 564 CA PHE A 35 0.783 3.934 0.347 1.00 0.00 C ATOM 565 C PHE A 35 0.123 3.483 -0.961 1.00 0.00 C ATOM 566 O PHE A 35 -1.033 3.060 -0.975 1.00 0.00 O ATOM 567 CB PHE A 35 1.890 2.944 0.746 1.00 0.00 C ATOM 568 CG PHE A 35 1.554 2.065 1.923 1.00 0.00 C ATOM 569 CD1 PHE A 35 1.334 2.612 3.177 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.470 0.690 1.772 1.00 0.00 C ATOM 571 CE1 PHE A 35 1.032 1.804 4.258 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.170 -0.122 2.850 1.00 0.00 C ATOM 573 CZ PHE A 35 0.951 0.436 4.093 1.00 0.00 C ATOM 0 H PHE A 35 -0.689 3.221 1.665 1.00 0.00 H new ATOM 0 HA PHE A 35 1.223 4.916 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.117 2.310 -0.111 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.795 3.506 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.399 3.682 3.312 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.641 0.248 0.802 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.860 2.243 5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.107 -1.192 2.719 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.716 -0.197 4.936 1.00 0.00 H new ATOM 583 N PRO A 36 0.874 3.561 -2.078 1.00 0.00 N ATOM 584 CA PRO A 36 0.403 3.160 -3.411 1.00 0.00 C ATOM 585 C PRO A 36 -0.281 1.796 -3.408 1.00 0.00 C ATOM 586 O PRO A 36 -0.224 1.064 -2.421 1.00 0.00 O ATOM 587 CB PRO A 36 1.681 3.112 -4.265 1.00 0.00 C ATOM 588 CG PRO A 36 2.817 3.298 -3.312 1.00 0.00 C ATOM 589 CD PRO A 36 2.259 4.047 -2.139 1.00 0.00 C ATOM 0 HA PRO A 36 -0.347 3.855 -3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.764 2.161 -4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.674 3.896 -5.023 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.226 2.337 -3.001 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.630 3.855 -3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.806 3.829 -1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.304 5.126 -2.288 1.00 0.00 H new ATOM 597 N GLY A 37 -0.940 1.469 -4.518 1.00 0.00 N ATOM 598 CA GLY A 37 -1.636 0.198 -4.616 1.00 0.00 C ATOM 599 C GLY A 37 -3.137 0.308 -4.454 1.00 0.00 C ATOM 600 O GLY A 37 -3.737 -0.285 -3.559 1.00 0.00 O ATOM 0 H GLY A 37 -1.004 2.059 -5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.417 -0.252 -5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.247 -0.478 -3.855 1.00 0.00 H new ATOM 604 N GLY A 38 -3.725 1.074 -5.347 1.00 0.00 N ATOM 605 CA GLY A 38 -5.159 1.283 -5.353 1.00 0.00 C ATOM 606 C GLY A 38 -5.760 1.097 -6.739 1.00 0.00 C ATOM 607 O GLY A 38 -5.238 1.639 -7.717 1.00 0.00 O ATOM 0 H GLY A 38 -3.226 1.568 -6.087 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.629 0.587 -4.658 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.380 2.289 -4.995 1.00 0.00 H new ATOM 611 N LYS A 39 -6.860 0.333 -6.817 1.00 0.00 N ATOM 612 CA LYS A 39 -7.561 0.068 -8.077 1.00 0.00 C ATOM 613 C LYS A 39 -7.071 -1.208 -8.758 1.00 0.00 C ATOM 614 O LYS A 39 -7.432 -1.477 -9.904 1.00 0.00 O ATOM 615 CB LYS A 39 -7.446 1.246 -9.048 1.00 0.00 C ATOM 616 CG LYS A 39 -8.289 1.072 -10.300 1.00 0.00 C ATOM 617 CD LYS A 39 -9.071 2.334 -10.637 1.00 0.00 C ATOM 618 CE LYS A 39 -9.986 2.758 -9.496 1.00 0.00 C ATOM 619 NZ LYS A 39 -10.764 1.613 -8.945 1.00 0.00 N ATOM 0 H LYS A 39 -7.286 -0.117 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.609 -0.070 -7.812 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.749 2.160 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.402 1.372 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.644 0.810 -11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.982 0.242 -10.159 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.376 3.142 -10.864 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.665 2.164 -11.535 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.390 3.206 -8.701 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.674 3.526 -9.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.719 1.934 -8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.832 0.863 -9.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.284 1.242 -8.100 1.00 0.00 H new ATOM 633 N ILE A 40 -6.267 -2.009 -8.060 1.00 0.00 N ATOM 634 CA ILE A 40 -5.776 -3.258 -8.639 1.00 0.00 C ATOM 635 C ILE A 40 -6.945 -4.126 -9.068 1.00 0.00 C ATOM 636 O ILE A 40 -6.845 -4.935 -9.990 1.00 0.00 O ATOM 637 CB ILE A 40 -4.879 -4.049 -7.665 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.720 -4.854 -6.658 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.934 -3.096 -6.952 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.214 -6.262 -6.428 1.00 0.00 C ATOM 0 H ILE A 40 -5.947 -1.821 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.168 -2.991 -9.503 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.290 -4.766 -8.237 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.736 -4.323 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.749 -4.901 -7.014 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.301 -3.657 -6.264 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.309 -2.586 -7.686 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.512 -2.360 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.857 -6.767 -5.707 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.224 -6.811 -7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.196 -6.224 -6.041 1.00 0.00 H new ATOM 652 N GLU A 41 -8.053 -3.936 -8.366 1.00 0.00 N ATOM 653 CA GLU A 41 -9.280 -4.672 -8.616 1.00 0.00 C ATOM 654 C GLU A 41 -9.537 -4.807 -10.109 1.00 0.00 C ATOM 655 O GLU A 41 -9.291 -5.863 -10.688 1.00 0.00 O ATOM 656 CB GLU A 41 -10.457 -3.974 -7.929 1.00 0.00 C ATOM 657 CG GLU A 41 -10.355 -2.450 -7.904 1.00 0.00 C ATOM 658 CD GLU A 41 -11.538 -1.771 -8.567 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.682 -2.004 -8.123 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.321 -1.007 -9.531 1.00 0.00 O ATOM 0 H GLU A 41 -8.124 -3.263 -7.603 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.173 -5.675 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.379 -4.257 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.533 -4.338 -6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.281 -2.112 -6.870 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.438 -2.143 -8.406 1.00 0.00 H new ATOM 667 N MET A 42 -10.019 -3.727 -10.722 1.00 0.00 N ATOM 668 CA MET A 42 -10.304 -3.701 -12.159 1.00 0.00 C ATOM 669 C MET A 42 -10.842 -5.046 -12.654 1.00 0.00 C ATOM 670 O MET A 42 -12.053 -5.246 -12.745 1.00 0.00 O ATOM 671 CB MET A 42 -9.042 -3.320 -12.940 1.00 0.00 C ATOM 672 CG MET A 42 -8.641 -1.864 -12.772 1.00 0.00 C ATOM 673 SD MET A 42 -9.226 -0.821 -14.121 1.00 0.00 S ATOM 674 CE MET A 42 -10.914 -1.397 -14.286 1.00 0.00 C ATOM 0 H MET A 42 -10.222 -2.850 -10.242 1.00 0.00 H new ATOM 0 HA MET A 42 -11.076 -2.951 -12.330 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.218 -3.955 -12.615 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.204 -3.524 -13.998 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.039 -1.488 -11.829 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.555 -1.795 -12.710 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.431 -0.798 -15.035 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.913 -2.442 -14.595 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.426 -1.302 -13.328 1.00 0.00 H new ATOM 684 N GLY A 43 -9.931 -5.965 -12.967 1.00 0.00 N ATOM 685 CA GLY A 43 -10.328 -7.275 -13.440 1.00 0.00 C ATOM 686 C GLY A 43 -9.154 -8.210 -13.611 1.00 0.00 C ATOM 687 O GLY A 43 -9.150 -9.062 -14.499 1.00 0.00 O ATOM 0 H GLY A 43 -8.923 -5.822 -12.900 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.037 -7.712 -12.737 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.847 -7.171 -14.393 1.00 0.00 H new ATOM 691 N GLU A 44 -8.154 -8.045 -12.763 1.00 0.00 N ATOM 692 CA GLU A 44 -6.957 -8.878 -12.825 1.00 0.00 C ATOM 693 C GLU A 44 -7.075 -10.084 -11.896 1.00 0.00 C ATOM 694 O GLU A 44 -8.127 -10.319 -11.302 1.00 0.00 O ATOM 695 CB GLU A 44 -5.721 -8.055 -12.467 1.00 0.00 C ATOM 696 CG GLU A 44 -5.000 -7.484 -13.677 1.00 0.00 C ATOM 697 CD GLU A 44 -4.571 -6.043 -13.475 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.472 -5.612 -12.307 1.00 0.00 O ATOM 699 OE2 GLU A 44 -4.334 -5.347 -14.485 1.00 0.00 O ATOM 0 H GLU A 44 -8.143 -7.344 -12.023 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.855 -9.247 -13.846 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.017 -7.236 -11.811 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.029 -8.681 -11.904 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.123 -8.093 -13.893 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.653 -7.546 -14.547 1.00 0.00 H new ATOM 706 N THR A 45 -5.989 -10.843 -11.774 1.00 0.00 N ATOM 707 CA THR A 45 -5.974 -12.021 -10.917 1.00 0.00 C ATOM 708 C THR A 45 -5.340 -11.688 -9.570 1.00 0.00 C ATOM 709 O THR A 45 -4.524 -10.776 -9.472 1.00 0.00 O ATOM 710 CB THR A 45 -5.198 -13.159 -11.594 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.842 -12.805 -12.919 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.972 -14.458 -11.662 1.00 0.00 C ATOM 0 H THR A 45 -5.110 -10.662 -12.258 1.00 0.00 H new ATOM 0 HA THR A 45 -7.002 -12.343 -10.752 1.00 0.00 H new ATOM 0 HB THR A 45 -4.316 -13.312 -10.973 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.347 -13.543 -13.333 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.364 -15.218 -12.152 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.220 -14.787 -10.653 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.890 -14.305 -12.230 1.00 0.00 H new ATOM 720 N PRO A 46 -5.700 -12.428 -8.509 1.00 0.00 N ATOM 721 CA PRO A 46 -5.157 -12.209 -7.169 1.00 0.00 C ATOM 722 C PRO A 46 -3.644 -11.986 -7.180 1.00 0.00 C ATOM 723 O PRO A 46 -3.096 -11.364 -6.270 1.00 0.00 O ATOM 724 CB PRO A 46 -5.507 -13.506 -6.415 1.00 0.00 C ATOM 725 CG PRO A 46 -6.115 -14.421 -7.431 1.00 0.00 C ATOM 726 CD PRO A 46 -6.654 -13.539 -8.515 1.00 0.00 C ATOM 0 HA PRO A 46 -5.571 -11.312 -6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.617 -13.952 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.204 -13.308 -5.601 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.372 -15.114 -7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.908 -15.023 -6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.681 -14.048 -9.479 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.670 -13.205 -8.302 1.00 0.00 H new ATOM 734 N GLU A 47 -2.975 -12.502 -8.208 1.00 0.00 N ATOM 735 CA GLU A 47 -1.528 -12.360 -8.322 1.00 0.00 C ATOM 736 C GLU A 47 -1.140 -11.300 -9.355 1.00 0.00 C ATOM 737 O GLU A 47 -0.219 -10.517 -9.128 1.00 0.00 O ATOM 738 CB GLU A 47 -0.895 -13.704 -8.693 1.00 0.00 C ATOM 739 CG GLU A 47 -0.298 -14.443 -7.507 1.00 0.00 C ATOM 740 CD GLU A 47 -1.176 -15.585 -7.030 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.876 -16.187 -7.871 1.00 0.00 O ATOM 742 OE2 GLU A 47 -1.161 -15.877 -5.816 1.00 0.00 O ATOM 0 H GLU A 47 -3.411 -13.020 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.152 -12.034 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.651 -14.335 -9.161 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.115 -13.536 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.682 -14.833 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.143 -13.742 -6.687 1.00 0.00 H new ATOM 749 N GLN A 48 -1.833 -11.282 -10.492 1.00 0.00 N ATOM 750 CA GLN A 48 -1.534 -10.319 -11.549 1.00 0.00 C ATOM 751 C GLN A 48 -2.148 -8.953 -11.258 1.00 0.00 C ATOM 752 O GLN A 48 -1.803 -7.961 -11.900 1.00 0.00 O ATOM 753 CB GLN A 48 -2.038 -10.838 -12.897 1.00 0.00 C ATOM 754 CG GLN A 48 -1.137 -11.894 -13.516 1.00 0.00 C ATOM 755 CD GLN A 48 0.096 -11.301 -14.167 1.00 0.00 C ATOM 756 OE1 GLN A 48 0.074 -10.925 -15.339 1.00 0.00 O ATOM 757 NE2 GLN A 48 1.182 -11.213 -13.408 1.00 0.00 N ATOM 0 H GLN A 48 -2.601 -11.919 -10.704 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.451 -10.200 -11.587 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.037 -11.255 -12.766 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.130 -10.000 -13.588 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.831 -12.602 -12.746 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.701 -12.456 -14.260 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.156 -11.537 -12.441 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.042 -10.822 -13.792 1.00 0.00 H new ATOM 766 N ALA A 49 -3.059 -8.903 -10.293 1.00 0.00 N ATOM 767 CA ALA A 49 -3.713 -7.655 -9.932 1.00 0.00 C ATOM 768 C ALA A 49 -2.702 -6.628 -9.445 1.00 0.00 C ATOM 769 O ALA A 49 -2.656 -5.506 -9.944 1.00 0.00 O ATOM 770 CB ALA A 49 -4.776 -7.902 -8.873 1.00 0.00 C ATOM 0 H ALA A 49 -3.360 -9.711 -9.749 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.195 -7.254 -10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.257 -6.959 -8.613 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.523 -8.595 -9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.312 -8.330 -7.984 1.00 0.00 H new ATOM 776 N VAL A 50 -1.890 -7.015 -8.470 1.00 0.00 N ATOM 777 CA VAL A 50 -0.882 -6.113 -7.930 1.00 0.00 C ATOM 778 C VAL A 50 0.325 -6.028 -8.857 1.00 0.00 C ATOM 779 O VAL A 50 0.843 -4.946 -9.110 1.00 0.00 O ATOM 780 CB VAL A 50 -0.409 -6.531 -6.511 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.474 -7.343 -5.789 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.906 -7.302 -6.570 1.00 0.00 C ATOM 0 H VAL A 50 -1.909 -7.940 -8.040 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.357 -5.135 -7.853 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.240 -5.616 -5.943 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.112 -7.620 -4.799 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.381 -6.747 -5.690 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.693 -8.245 -6.360 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.210 -7.580 -5.561 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.773 -8.202 -7.170 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.675 -6.675 -7.021 1.00 0.00 H new ATOM 792 N VAL A 51 0.776 -7.181 -9.344 1.00 0.00 N ATOM 793 CA VAL A 51 1.936 -7.240 -10.226 1.00 0.00 C ATOM 794 C VAL A 51 1.753 -6.355 -11.449 1.00 0.00 C ATOM 795 O VAL A 51 2.676 -5.654 -11.864 1.00 0.00 O ATOM 796 CB VAL A 51 2.226 -8.685 -10.682 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.491 -8.741 -11.527 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.342 -9.612 -9.480 1.00 0.00 C ATOM 0 H VAL A 51 0.355 -8.088 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 51 2.785 -6.874 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 51 1.392 -9.023 -11.297 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.676 -9.769 -11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.368 -8.112 -12.409 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.336 -8.381 -10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.547 -10.627 -9.821 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.155 -9.274 -8.837 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.407 -9.599 -8.919 1.00 0.00 H new ATOM 808 N ARG A 52 0.561 -6.391 -12.029 1.00 0.00 N ATOM 809 CA ARG A 52 0.277 -5.590 -13.210 1.00 0.00 C ATOM 810 C ARG A 52 0.011 -4.137 -12.841 1.00 0.00 C ATOM 811 O ARG A 52 0.589 -3.220 -13.425 1.00 0.00 O ATOM 812 CB ARG A 52 -0.918 -6.165 -13.974 1.00 0.00 C ATOM 813 CG ARG A 52 -0.881 -5.875 -15.467 1.00 0.00 C ATOM 814 CD ARG A 52 -1.029 -7.146 -16.289 1.00 0.00 C ATOM 815 NE ARG A 52 -2.352 -7.745 -16.134 1.00 0.00 N ATOM 816 CZ ARG A 52 -2.812 -8.735 -16.896 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.060 -9.238 -17.868 1.00 0.00 N ATOM 818 NH2 ARG A 52 -4.028 -9.222 -16.688 1.00 0.00 N ATOM 0 H ARG A 52 -0.219 -6.962 -11.703 1.00 0.00 H new ATOM 0 HA ARG A 52 1.157 -5.623 -13.852 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.951 -7.244 -13.822 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.838 -5.756 -13.555 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.681 -5.180 -15.723 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.059 -5.385 -15.720 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.854 -6.920 -17.341 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.268 -7.865 -15.986 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.959 -7.383 -15.399 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.125 -8.866 -18.034 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.417 -9.996 -18.449 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.611 -8.838 -15.944 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.380 -9.980 -17.272 1.00 0.00 H new ATOM 832 N GLU A 53 -0.871 -3.931 -11.871 1.00 0.00 N ATOM 833 CA GLU A 53 -1.218 -2.590 -11.429 1.00 0.00 C ATOM 834 C GLU A 53 -0.045 -1.921 -10.718 1.00 0.00 C ATOM 835 O GLU A 53 -0.002 -0.696 -10.601 1.00 0.00 O ATOM 836 CB GLU A 53 -2.437 -2.633 -10.509 1.00 0.00 C ATOM 837 CG GLU A 53 -3.368 -1.444 -10.679 1.00 0.00 C ATOM 838 CD GLU A 53 -3.390 -0.543 -9.462 1.00 0.00 C ATOM 839 OE1 GLU A 53 -2.334 0.028 -9.129 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.463 -0.407 -8.843 1.00 0.00 O ATOM 0 H GLU A 53 -1.359 -4.678 -11.376 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.460 -1.998 -12.312 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.994 -3.550 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.099 -2.675 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.057 -0.866 -11.549 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.377 -1.803 -10.879 1.00 0.00 H new ATOM 847 N LEU A 54 0.909 -2.723 -10.244 1.00 0.00 N ATOM 848 CA LEU A 54 2.073 -2.179 -9.553 1.00 0.00 C ATOM 849 C LEU A 54 2.791 -1.184 -10.445 1.00 0.00 C ATOM 850 O LEU A 54 3.152 -0.095 -10.011 1.00 0.00 O ATOM 851 CB LEU A 54 3.041 -3.295 -9.149 1.00 0.00 C ATOM 852 CG LEU A 54 3.286 -3.436 -7.646 1.00 0.00 C ATOM 853 CD1 LEU A 54 1.975 -3.372 -6.871 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.020 -4.734 -7.358 1.00 0.00 C ATOM 0 H LEU A 54 0.898 -3.740 -10.325 1.00 0.00 H new ATOM 0 HA LEU A 54 1.725 -1.675 -8.651 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.656 -4.242 -9.528 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.998 -3.120 -9.641 1.00 0.00 H new ATOM 0 HG LEU A 54 3.907 -2.603 -7.317 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.177 -3.475 -5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.488 -2.415 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.321 -4.181 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.190 -4.826 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.420 -5.576 -7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.978 -4.734 -7.878 1.00 0.00 H new ATOM 866 N GLN A 55 2.973 -1.557 -11.704 1.00 0.00 N ATOM 867 CA GLN A 55 3.628 -0.680 -12.660 1.00 0.00 C ATOM 868 C GLN A 55 2.821 0.603 -12.806 1.00 0.00 C ATOM 869 O GLN A 55 3.374 1.681 -13.023 1.00 0.00 O ATOM 870 CB GLN A 55 3.776 -1.380 -14.015 1.00 0.00 C ATOM 871 CG GLN A 55 5.221 -1.615 -14.422 1.00 0.00 C ATOM 872 CD GLN A 55 5.411 -2.921 -15.169 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.962 -3.070 -16.306 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.076 -3.876 -14.531 1.00 0.00 N ATOM 0 H GLN A 55 2.678 -2.456 -12.084 1.00 0.00 H new ATOM 0 HA GLN A 55 4.626 -0.434 -12.296 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.257 -2.338 -13.979 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.284 -0.780 -14.781 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.557 -0.789 -15.050 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.850 -1.615 -13.532 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.430 -3.709 -13.589 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.233 -4.777 -14.982 1.00 0.00 H new ATOM 883 N GLU A 56 1.506 0.475 -12.655 1.00 0.00 N ATOM 884 CA GLU A 56 0.612 1.619 -12.738 1.00 0.00 C ATOM 885 C GLU A 56 0.686 2.430 -11.455 1.00 0.00 C ATOM 886 O GLU A 56 0.390 3.623 -11.443 1.00 0.00 O ATOM 887 CB GLU A 56 -0.827 1.157 -12.953 1.00 0.00 C ATOM 888 CG GLU A 56 -1.708 2.190 -13.636 1.00 0.00 C ATOM 889 CD GLU A 56 -2.640 2.897 -12.668 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.077 2.259 -11.685 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.934 4.090 -12.894 1.00 0.00 O ATOM 0 H GLU A 56 1.038 -0.413 -12.474 1.00 0.00 H new ATOM 0 HA GLU A 56 0.922 2.235 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.821 0.246 -13.552 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.265 0.901 -11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.078 2.928 -14.132 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.298 1.702 -14.412 1.00 0.00 H new ATOM 898 N GLU A 57 1.062 1.763 -10.368 1.00 0.00 N ATOM 899 CA GLU A 57 1.155 2.411 -9.071 1.00 0.00 C ATOM 900 C GLU A 57 2.611 2.635 -8.658 1.00 0.00 C ATOM 901 O GLU A 57 2.886 3.068 -7.539 1.00 0.00 O ATOM 902 CB GLU A 57 0.424 1.581 -8.014 1.00 0.00 C ATOM 903 CG GLU A 57 -0.915 2.170 -7.594 1.00 0.00 C ATOM 904 CD GLU A 57 -1.788 2.563 -8.770 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.439 2.210 -9.912 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.828 3.215 -8.545 1.00 0.00 O ATOM 0 H GLU A 57 1.307 0.773 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 57 0.679 3.389 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.263 0.575 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.061 1.486 -7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.448 1.444 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.740 3.047 -6.970 1.00 0.00 H new ATOM 913 N VAL A 58 3.539 2.345 -9.569 1.00 0.00 N ATOM 914 CA VAL A 58 4.958 2.525 -9.297 1.00 0.00 C ATOM 915 C VAL A 58 5.621 3.234 -10.468 1.00 0.00 C ATOM 916 O VAL A 58 6.386 4.181 -10.288 1.00 0.00 O ATOM 917 CB VAL A 58 5.652 1.160 -9.033 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.642 0.794 -10.135 1.00 0.00 C ATOM 919 CG2 VAL A 58 6.338 1.165 -7.674 1.00 0.00 C ATOM 0 H VAL A 58 3.330 1.985 -10.500 1.00 0.00 H new ATOM 0 HA VAL A 58 5.063 3.136 -8.400 1.00 0.00 H new ATOM 0 HB VAL A 58 4.875 0.396 -9.034 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.102 -0.168 -9.906 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.117 0.728 -11.088 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.415 1.560 -10.199 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.819 0.201 -7.506 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.089 1.955 -7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.598 1.343 -6.894 1.00 0.00 H new ATOM 929 N GLY A 59 5.290 2.784 -11.671 1.00 0.00 N ATOM 930 CA GLY A 59 5.823 3.385 -12.876 1.00 0.00 C ATOM 931 C GLY A 59 7.314 3.200 -13.068 1.00 0.00 C ATOM 932 O GLY A 59 7.782 3.020 -14.192 1.00 0.00 O ATOM 0 H GLY A 59 4.654 2.004 -11.833 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.304 2.963 -13.737 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.602 4.452 -12.862 1.00 0.00 H new ATOM 936 N ILE A 60 8.062 3.251 -11.986 1.00 0.00 N ATOM 937 CA ILE A 60 9.509 3.096 -12.053 1.00 0.00 C ATOM 938 C ILE A 60 9.896 1.625 -12.035 1.00 0.00 C ATOM 939 O ILE A 60 9.037 0.745 -12.085 1.00 0.00 O ATOM 940 CB ILE A 60 10.253 3.829 -10.906 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.305 4.264 -9.785 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.009 5.032 -11.449 1.00 0.00 C ATOM 943 CD1 ILE A 60 8.794 3.116 -8.945 1.00 0.00 C ATOM 0 H ILE A 60 7.696 3.399 -11.046 1.00 0.00 H new ATOM 0 HA ILE A 60 9.815 3.554 -12.994 1.00 0.00 H new ATOM 0 HB ILE A 60 10.961 3.120 -10.477 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.821 4.974 -9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.456 4.790 -10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.526 5.536 -10.632 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.737 4.700 -12.189 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.307 5.723 -11.915 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.129 3.499 -8.171 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.249 2.416 -9.578 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.635 2.604 -8.479 1.00 0.00 H new ATOM 955 N THR A 61 11.196 1.368 -11.974 1.00 0.00 N ATOM 956 CA THR A 61 11.709 0.019 -11.957 1.00 0.00 C ATOM 957 C THR A 61 12.358 -0.287 -10.614 1.00 0.00 C ATOM 958 O THR A 61 13.552 -0.048 -10.427 1.00 0.00 O ATOM 959 CB THR A 61 12.739 -0.110 -13.063 1.00 0.00 C ATOM 960 OG1 THR A 61 13.394 1.129 -13.278 1.00 0.00 O ATOM 961 CG2 THR A 61 12.148 -0.546 -14.383 1.00 0.00 C ATOM 0 H THR A 61 11.915 2.090 -11.935 1.00 0.00 H new ATOM 0 HA THR A 61 10.893 -0.687 -12.111 1.00 0.00 H new ATOM 0 HB THR A 61 13.435 -0.877 -12.724 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.057 1.029 -13.993 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.939 -0.618 -15.130 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.671 -1.519 -14.264 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.407 0.184 -14.709 1.00 0.00 H new ATOM 969 N PRO A 62 11.578 -0.776 -9.640 1.00 0.00 N ATOM 970 CA PRO A 62 12.054 -1.065 -8.309 1.00 0.00 C ATOM 971 C PRO A 62 12.095 -2.546 -7.979 1.00 0.00 C ATOM 972 O PRO A 62 11.201 -3.295 -8.375 1.00 0.00 O ATOM 973 CB PRO A 62 10.932 -0.417 -7.516 1.00 0.00 C ATOM 974 CG PRO A 62 9.698 -0.815 -8.268 1.00 0.00 C ATOM 975 CD PRO A 62 10.132 -1.036 -9.704 1.00 0.00 C ATOM 0 HA PRO A 62 13.074 -0.724 -8.130 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.908 -0.776 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.044 0.666 -7.473 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.262 -1.722 -7.849 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.937 -0.037 -8.206 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.916 -2.049 -10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.627 -0.356 -10.390 1.00 0.00 H new ATOM 983 N GLN A 63 13.082 -2.964 -7.190 1.00 0.00 N ATOM 984 CA GLN A 63 13.124 -4.350 -6.768 1.00 0.00 C ATOM 985 C GLN A 63 12.046 -4.488 -5.711 1.00 0.00 C ATOM 986 O GLN A 63 12.304 -4.421 -4.509 1.00 0.00 O ATOM 987 CB GLN A 63 14.496 -4.724 -6.206 1.00 0.00 C ATOM 988 CG GLN A 63 15.652 -4.178 -7.025 1.00 0.00 C ATOM 989 CD GLN A 63 16.995 -4.398 -6.359 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.830 -3.494 -6.305 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.212 -5.605 -5.846 1.00 0.00 N ATOM 0 H GLN A 63 13.840 -2.378 -6.841 1.00 0.00 H new ATOM 0 HA GLN A 63 12.953 -5.024 -7.608 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.576 -4.351 -5.185 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.576 -5.810 -6.156 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.655 -4.655 -8.005 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.503 -3.111 -7.190 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.492 -6.325 -5.913 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.098 -5.811 -5.385 1.00 0.00 H new ATOM 1000 N HIS A 64 10.825 -4.611 -6.199 1.00 0.00 N ATOM 1001 CA HIS A 64 9.645 -4.681 -5.357 1.00 0.00 C ATOM 1002 C HIS A 64 8.892 -5.978 -5.599 1.00 0.00 C ATOM 1003 O HIS A 64 8.583 -6.318 -6.741 1.00 0.00 O ATOM 1004 CB HIS A 64 8.770 -3.466 -5.694 1.00 0.00 C ATOM 1005 CG HIS A 64 7.323 -3.593 -5.317 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.861 -4.461 -4.350 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.228 -2.956 -5.798 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.546 -4.354 -4.256 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.140 -3.447 -5.123 1.00 0.00 N ATOM 0 H HIS A 64 10.623 -4.665 -7.197 1.00 0.00 H new ATOM 0 HA HIS A 64 9.923 -4.666 -4.303 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.184 -2.591 -5.193 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.834 -3.279 -6.766 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.215 -2.201 -6.570 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.913 -4.914 -3.584 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.173 -3.157 -5.268 1.00 0.00 H new ATOM 1018 N PHE A 65 8.611 -6.713 -4.526 1.00 0.00 N ATOM 1019 CA PHE A 65 7.912 -7.981 -4.656 1.00 0.00 C ATOM 1020 C PHE A 65 7.694 -8.662 -3.308 1.00 0.00 C ATOM 1021 O PHE A 65 8.281 -8.274 -2.299 1.00 0.00 O ATOM 1022 CB PHE A 65 8.737 -8.896 -5.538 1.00 0.00 C ATOM 1023 CG PHE A 65 7.952 -10.013 -6.165 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.158 -9.775 -7.275 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.008 -11.296 -5.648 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.434 -10.796 -7.859 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.285 -12.323 -6.227 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.497 -12.071 -7.334 1.00 0.00 C ATOM 0 H PHE A 65 8.854 -6.454 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 65 6.932 -7.783 -5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.199 -8.303 -6.327 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.546 -9.323 -4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.104 -8.779 -7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.623 -11.497 -4.783 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.820 -10.597 -8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.336 -13.320 -5.815 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.931 -12.871 -7.788 1.00 0.00 H new ATOM 1038 N SER A 66 6.852 -9.698 -3.313 1.00 0.00 N ATOM 1039 CA SER A 66 6.542 -10.467 -2.108 1.00 0.00 C ATOM 1040 C SER A 66 5.472 -9.767 -1.284 1.00 0.00 C ATOM 1041 O SER A 66 5.371 -8.542 -1.301 1.00 0.00 O ATOM 1042 CB SER A 66 7.798 -10.691 -1.259 1.00 0.00 C ATOM 1043 OG SER A 66 7.788 -11.976 -0.662 1.00 0.00 O ATOM 0 H SER A 66 6.368 -10.026 -4.149 1.00 0.00 H new ATOM 0 HA SER A 66 6.162 -11.439 -2.423 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.686 -10.583 -1.882 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.858 -9.927 -0.484 1.00 0.00 H new ATOM 0 HG SER A 66 8.601 -12.095 -0.127 1.00 0.00 H new ATOM 1049 N LEU A 67 4.672 -10.549 -0.567 1.00 0.00 N ATOM 1050 CA LEU A 67 3.610 -9.989 0.257 1.00 0.00 C ATOM 1051 C LEU A 67 3.975 -10.048 1.737 1.00 0.00 C ATOM 1052 O LEU A 67 4.357 -11.097 2.254 1.00 0.00 O ATOM 1053 CB LEU A 67 2.286 -10.719 0.003 1.00 0.00 C ATOM 1054 CG LEU A 67 2.149 -12.092 0.665 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.520 -11.960 2.044 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.321 -13.020 -0.209 1.00 0.00 C ATOM 0 H LEU A 67 4.739 -11.566 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 67 3.488 -8.942 -0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.470 -10.085 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.159 -10.840 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 67 3.145 -12.520 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.431 -12.946 2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.147 -11.327 2.671 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.531 -11.512 1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.232 -13.993 0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.328 -12.594 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.808 -13.139 -1.177 1.00 0.00 H new ATOM 1068 N PHE A 68 3.854 -8.908 2.409 1.00 0.00 N ATOM 1069 CA PHE A 68 4.170 -8.818 3.829 1.00 0.00 C ATOM 1070 C PHE A 68 3.006 -9.344 4.669 1.00 0.00 C ATOM 1071 O PHE A 68 3.208 -10.005 5.689 1.00 0.00 O ATOM 1072 CB PHE A 68 4.513 -7.363 4.193 1.00 0.00 C ATOM 1073 CG PHE A 68 3.734 -6.790 5.349 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.383 -6.510 5.223 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.359 -6.528 6.557 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.669 -5.979 6.280 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.651 -5.997 7.617 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.304 -5.722 7.480 1.00 0.00 C ATOM 0 H PHE A 68 3.539 -8.032 1.992 1.00 0.00 H new ATOM 0 HA PHE A 68 5.039 -9.439 4.046 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.576 -7.305 4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.345 -6.737 3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.882 -6.709 4.287 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.412 -6.741 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.616 -5.765 6.168 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.150 -5.797 8.553 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.749 -5.307 8.308 1.00 0.00 H new ATOM 1088 N GLU A 69 1.788 -9.044 4.227 1.00 0.00 N ATOM 1089 CA GLU A 69 0.584 -9.479 4.926 1.00 0.00 C ATOM 1090 C GLU A 69 -0.654 -9.180 4.086 1.00 0.00 C ATOM 1091 O GLU A 69 -0.611 -8.352 3.178 1.00 0.00 O ATOM 1092 CB GLU A 69 0.476 -8.786 6.285 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.078 -9.681 7.382 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.822 -8.903 8.449 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.443 -7.742 8.709 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -1.782 -9.455 9.026 1.00 0.00 O ATOM 0 H GLU A 69 1.609 -8.499 3.384 1.00 0.00 H new ATOM 0 HA GLU A 69 0.648 -10.555 5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.463 -8.430 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.163 -7.908 6.186 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.749 -10.418 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.741 -10.232 7.844 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.757 -9.854 4.389 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.994 -9.642 3.647 1.00 0.00 C ATOM 1105 C LYS A 70 -4.210 -9.724 4.565 1.00 0.00 C ATOM 1106 O LYS A 70 -4.342 -10.654 5.359 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.121 -10.671 2.522 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.989 -12.110 2.996 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.634 -13.078 2.018 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.641 -13.559 0.972 1.00 0.00 C ATOM 1111 NZ LYS A 70 -2.069 -14.891 1.319 1.00 0.00 N ATOM 0 H LYS A 70 -1.821 -10.546 5.136 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.958 -8.641 3.216 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.087 -10.545 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.356 -10.473 1.771 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.935 -12.360 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.455 -12.216 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.034 -13.934 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.476 -12.592 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.135 -13.618 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.835 -12.832 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.397 -15.183 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.575 -14.830 2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -2.835 -15.591 1.386 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.101 -8.743 4.444 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.309 -8.699 5.253 1.00 0.00 C ATOM 1127 C LEU A 71 -7.549 -8.801 4.366 1.00 0.00 C ATOM 1128 O LEU A 71 -7.679 -8.078 3.379 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.345 -7.403 6.070 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.710 -7.041 6.664 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.643 -6.989 8.183 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -8.202 -5.714 6.104 1.00 0.00 C ATOM 0 H LEU A 71 -5.005 -7.966 3.790 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.304 -9.548 5.937 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.624 -7.485 6.883 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.015 -6.582 5.433 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.420 -7.818 6.382 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.624 -6.730 8.582 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.341 -7.963 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.917 -6.236 8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.173 -5.474 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.489 -4.928 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.297 -5.789 5.021 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.457 -9.704 4.726 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.683 -9.899 3.966 1.00 0.00 C ATOM 1146 C GLU A 72 -10.906 -9.708 4.862 1.00 0.00 C ATOM 1147 O GLU A 72 -11.183 -10.530 5.735 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.688 -11.298 3.339 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.067 -11.786 2.930 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.017 -13.050 2.096 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.094 -13.176 1.264 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.900 -13.916 2.275 1.00 0.00 O ATOM 0 H GLU A 72 -8.365 -10.311 5.540 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.727 -9.155 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.040 -11.295 2.462 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.259 -12.005 4.049 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.663 -11.969 3.824 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.572 -11.003 2.365 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.634 -8.621 4.634 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.829 -8.321 5.416 1.00 0.00 C ATOM 1161 C TYR A 73 -13.923 -7.739 4.528 1.00 0.00 C ATOM 1162 O TYR A 73 -13.637 -7.087 3.523 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.494 -7.341 6.542 1.00 0.00 C ATOM 1164 CG TYR A 73 -13.676 -7.001 7.422 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -14.251 -7.960 8.247 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -14.216 -5.721 7.429 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -15.331 -7.653 9.053 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -15.296 -5.406 8.232 1.00 0.00 C ATOM 1169 CZ TYR A 73 -15.849 -6.375 9.042 1.00 0.00 C ATOM 1170 OH TYR A 73 -16.924 -6.066 9.842 1.00 0.00 O ATOM 0 H TYR A 73 -11.418 -7.932 3.914 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.194 -9.251 5.851 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.703 -7.767 7.159 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.100 -6.423 6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -13.847 -8.962 8.259 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.785 -4.959 6.796 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -15.767 -8.410 9.688 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -15.704 -4.406 8.225 1.00 0.00 H new ATOM 0 HH TYR A 73 -17.165 -5.124 9.717 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.177 -7.973 4.902 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.307 -7.465 4.131 1.00 0.00 C ATOM 1182 C GLU A 74 -17.192 -6.563 4.983 1.00 0.00 C ATOM 1183 O GLU A 74 -17.702 -6.973 6.025 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.136 -8.613 3.553 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.352 -9.766 4.519 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.614 -11.080 3.811 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.181 -11.224 2.649 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.251 -11.966 4.420 1.00 0.00 O ATOM 0 H GLU A 74 -15.436 -8.509 5.730 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.903 -6.877 3.307 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.106 -8.226 3.242 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.641 -8.990 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.474 -9.870 5.156 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.194 -9.535 5.172 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.375 -5.335 4.517 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.204 -4.358 5.209 1.00 0.00 C ATOM 1197 C PHE A 75 -19.678 -4.751 5.122 1.00 0.00 C ATOM 1198 O PHE A 75 -20.055 -5.575 4.292 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.986 -2.968 4.608 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.251 -2.027 5.520 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.064 -2.412 6.122 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.746 -0.758 5.773 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.385 -1.548 6.960 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.072 0.110 6.610 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.889 -0.285 7.205 1.00 0.00 C ATOM 0 H PHE A 75 -16.956 -4.990 3.654 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.917 -4.336 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.429 -3.067 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.954 -2.535 4.356 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.665 -3.398 5.934 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.670 -0.444 5.310 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.461 -1.860 7.423 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.469 1.096 6.799 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.360 0.392 7.860 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.530 -4.165 5.983 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.967 -4.450 6.003 1.00 0.00 C ATOM 1217 C PRO A 76 -22.602 -4.293 4.626 1.00 0.00 C ATOM 1218 O PRO A 76 -23.176 -3.252 4.308 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.540 -3.412 6.981 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.446 -2.420 7.192 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.165 -3.173 6.993 1.00 0.00 C ATOM 0 HA PRO A 76 -22.170 -5.479 6.300 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.430 -2.934 6.570 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.834 -3.878 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.527 -1.593 6.486 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.495 -1.991 8.193 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.361 -2.522 6.649 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.823 -3.641 7.916 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.479 -5.345 3.818 1.00 0.00 N ATOM 1230 CA ASP A 77 -23.018 -5.379 2.452 1.00 0.00 C ATOM 1231 C ASP A 77 -21.946 -5.012 1.427 1.00 0.00 C ATOM 1232 O ASP A 77 -22.255 -4.712 0.274 1.00 0.00 O ATOM 1233 CB ASP A 77 -24.227 -4.448 2.300 1.00 0.00 C ATOM 1234 CG ASP A 77 -25.095 -4.817 1.113 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.761 -5.872 1.169 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.109 -4.049 0.127 1.00 0.00 O ATOM 0 H ASP A 77 -22.001 -6.204 4.090 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.347 -6.401 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.826 -4.484 3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.879 -3.421 2.187 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.687 -5.044 1.853 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.569 -4.722 0.974 1.00 0.00 C ATOM 1243 C ARG A 78 -18.422 -5.707 1.180 1.00 0.00 C ATOM 1244 O ARG A 78 -18.234 -6.233 2.277 1.00 0.00 O ATOM 1245 CB ARG A 78 -19.084 -3.294 1.233 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.946 -2.860 0.323 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.578 -1.401 0.547 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.132 -1.188 0.520 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.538 -0.076 0.953 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.261 0.921 1.448 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.217 0.038 0.891 1.00 0.00 N ATOM 0 H ARG A 78 -20.415 -5.291 2.805 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.912 -4.798 -0.058 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.921 -2.607 1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.759 -3.213 2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.074 -3.488 0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.234 -3.008 -0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.049 -0.787 -0.221 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -17.975 -1.071 1.507 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.543 -1.934 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.276 0.839 1.499 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.801 1.770 1.778 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.656 -0.725 0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.762 0.889 1.222 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.654 -5.951 0.124 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.523 -6.869 0.196 1.00 0.00 C ATOM 1267 C HIS A 79 -15.227 -6.146 -0.153 1.00 0.00 C ATOM 1268 O HIS A 79 -14.869 -6.025 -1.324 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.735 -8.053 -0.749 1.00 0.00 C ATOM 1270 CG HIS A 79 -17.769 -9.024 -0.269 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -19.087 -8.676 -0.059 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -17.674 -10.338 0.044 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -19.758 -9.735 0.362 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -18.923 -10.755 0.431 1.00 0.00 N ATOM 0 H HIS A 79 -17.794 -5.526 -0.793 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.450 -7.244 1.217 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.029 -7.677 -1.729 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.788 -8.578 -0.879 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.782 -10.945 -0.002 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -20.809 -9.761 0.607 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -19.167 -11.701 0.725 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.534 -5.660 0.871 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.287 -4.942 0.676 1.00 0.00 C ATOM 1285 C ILE A 80 -12.084 -5.839 0.952 1.00 0.00 C ATOM 1286 O ILE A 80 -11.831 -6.228 2.091 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.222 -3.692 1.584 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.813 -3.108 1.595 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.665 -4.033 2.999 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.700 -1.808 2.363 1.00 0.00 C ATOM 0 H ILE A 80 -14.819 -5.752 1.846 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.254 -4.625 -0.367 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.903 -2.943 1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.130 -3.838 2.030 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.490 -2.942 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.612 -3.140 3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.690 -4.402 2.980 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.010 -4.802 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.670 -1.453 2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.357 -1.062 1.915 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.992 -1.972 3.400 1.00 0.00 H new ATOM 1302 N THR A 81 -11.338 -6.153 -0.102 1.00 0.00 N ATOM 1303 CA THR A 81 -10.154 -6.992 0.022 1.00 0.00 C ATOM 1304 C THR A 81 -8.901 -6.127 0.107 1.00 0.00 C ATOM 1305 O THR A 81 -8.596 -5.369 -0.813 1.00 0.00 O ATOM 1306 CB THR A 81 -10.053 -7.950 -1.168 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.070 -7.678 -2.119 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.171 -9.406 -0.775 1.00 0.00 C ATOM 0 H THR A 81 -11.534 -5.838 -1.052 1.00 0.00 H new ATOM 0 HA THR A 81 -10.239 -7.579 0.937 1.00 0.00 H new ATOM 0 HB THR A 81 -9.062 -7.783 -1.590 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.422 -8.522 -2.471 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.091 -10.031 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.371 -9.661 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.136 -9.577 -0.297 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.183 -6.236 1.220 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.973 -5.451 1.421 1.00 0.00 C ATOM 1318 C LEU A 82 -5.729 -6.332 1.392 1.00 0.00 C ATOM 1319 O LEU A 82 -5.529 -7.173 2.269 1.00 0.00 O ATOM 1320 CB LEU A 82 -7.049 -4.714 2.757 1.00 0.00 C ATOM 1321 CG LEU A 82 -5.877 -3.779 3.048 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -6.183 -2.379 2.545 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -5.571 -3.761 4.538 1.00 0.00 C ATOM 0 H LEU A 82 -8.418 -6.858 1.993 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.900 -4.731 0.606 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.972 -4.134 2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.114 -5.451 3.558 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.996 -4.148 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.339 -1.723 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.356 -2.409 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.074 -1.999 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.733 -3.090 4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.447 -3.413 5.085 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.313 -4.767 4.869 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.889 -6.125 0.381 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.657 -6.892 0.242 1.00 0.00 C ATOM 1337 C TRP A 83 -2.448 -6.011 0.505 1.00 0.00 C ATOM 1338 O TRP A 83 -2.246 -4.998 -0.162 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.551 -7.502 -1.157 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.621 -8.503 -1.448 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.921 -8.436 -1.053 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.488 -9.719 -2.194 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.611 -9.531 -1.506 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.752 -10.336 -2.209 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.424 -10.344 -2.849 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.981 -11.548 -2.856 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.651 -11.547 -3.490 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.922 -12.138 -3.489 1.00 0.00 C ATOM 0 H TRP A 83 -5.040 -5.433 -0.353 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.680 -7.697 0.977 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.598 -6.704 -1.898 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.577 -7.980 -1.265 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.348 -7.636 -0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.601 -9.716 -1.346 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.442 -9.895 -2.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.959 -12.005 -2.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.836 -12.040 -4.000 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.068 -13.079 -3.999 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.640 -6.411 1.472 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.435 -5.662 1.815 1.00 0.00 C ATOM 1361 C PHE A 84 0.802 -6.390 1.298 1.00 0.00 C ATOM 1362 O PHE A 84 1.161 -7.457 1.792 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.342 -5.443 3.330 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.980 -4.161 3.798 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.038 -3.600 3.100 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.520 -3.516 4.938 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.625 -2.424 3.527 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.104 -2.340 5.370 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.157 -1.793 4.664 1.00 0.00 C ATOM 0 H PHE A 84 -1.793 -7.248 2.035 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.488 -4.684 1.337 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.817 -6.282 3.839 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.707 -5.445 3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.408 -4.088 2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.304 -3.938 5.494 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.449 -1.999 2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.737 -1.849 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.614 -0.874 5.000 1.00 0.00 H new ATOM 1379 N TRP A 85 1.437 -5.814 0.283 1.00 0.00 N ATOM 1380 CA TRP A 85 2.617 -6.421 -0.322 1.00 0.00 C ATOM 1381 C TRP A 85 3.910 -5.795 0.193 1.00 0.00 C ATOM 1382 O TRP A 85 3.952 -4.613 0.537 1.00 0.00 O ATOM 1383 CB TRP A 85 2.539 -6.317 -1.844 1.00 0.00 C ATOM 1384 CG TRP A 85 1.458 -7.177 -2.424 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.114 -7.037 -2.235 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.628 -8.316 -3.274 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.563 -8.018 -2.917 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.345 -8.815 -3.565 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.741 -8.961 -3.820 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.144 -9.929 -4.376 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.541 -10.067 -4.626 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.251 -10.541 -4.898 1.00 0.00 C ATOM 0 H TRP A 85 1.155 -4.929 -0.138 1.00 0.00 H new ATOM 0 HA TRP A 85 2.632 -7.472 -0.035 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.363 -5.279 -2.125 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.498 -6.605 -2.274 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.350 -6.267 -1.636 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.576 -8.135 -2.938 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.739 -8.602 -3.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.850 -10.297 -4.585 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.394 -10.574 -5.053 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.128 -11.406 -5.532 1.00 0.00 H new ATOM 1403 N LEU A 86 4.960 -6.610 0.249 1.00 0.00 N ATOM 1404 CA LEU A 86 6.262 -6.164 0.731 1.00 0.00 C ATOM 1405 C LEU A 86 7.183 -5.768 -0.423 1.00 0.00 C ATOM 1406 O LEU A 86 7.232 -6.433 -1.454 1.00 0.00 O ATOM 1407 CB LEU A 86 6.918 -7.263 1.568 1.00 0.00 C ATOM 1408 CG LEU A 86 8.334 -6.951 2.056 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.299 -5.900 3.155 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.017 -8.217 2.549 1.00 0.00 C ATOM 0 H LEU A 86 4.933 -7.589 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 86 6.102 -5.282 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.288 -7.463 2.435 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.948 -8.179 0.978 1.00 0.00 H new ATOM 0 HG LEU A 86 8.908 -6.554 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.315 -5.690 3.490 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.848 -4.986 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.709 -6.270 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.023 -7.977 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.444 -8.642 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.074 -8.940 1.735 1.00 0.00 H new ATOM 1422 N VAL A 87 7.906 -4.674 -0.228 1.00 0.00 N ATOM 1423 CA VAL A 87 8.843 -4.155 -1.224 1.00 0.00 C ATOM 1424 C VAL A 87 10.221 -4.033 -0.629 1.00 0.00 C ATOM 1425 O VAL A 87 10.354 -3.744 0.560 1.00 0.00 O ATOM 1426 CB VAL A 87 8.427 -2.777 -1.717 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.326 -2.309 -2.851 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.970 -2.799 -2.140 1.00 0.00 C ATOM 0 H VAL A 87 7.862 -4.118 0.626 1.00 0.00 H new ATOM 0 HA VAL A 87 8.842 -4.856 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 87 8.539 -2.063 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.007 -1.322 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.357 -2.258 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.260 -3.012 -3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.678 -1.809 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.835 -3.524 -2.943 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.348 -3.079 -1.290 1.00 0.00 H new ATOM 1438 N GLU A 88 11.252 -4.271 -1.425 1.00 0.00 N ATOM 1439 CA GLU A 88 12.598 -4.186 -0.881 1.00 0.00 C ATOM 1440 C GLU A 88 13.431 -3.027 -1.440 1.00 0.00 C ATOM 1441 O GLU A 88 14.374 -2.584 -0.785 1.00 0.00 O ATOM 1442 CB GLU A 88 13.345 -5.507 -1.089 1.00 0.00 C ATOM 1443 CG GLU A 88 12.442 -6.730 -1.090 1.00 0.00 C ATOM 1444 CD GLU A 88 13.209 -8.022 -1.294 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.397 -8.073 -0.911 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.623 -8.982 -1.834 1.00 0.00 O ATOM 0 H GLU A 88 11.190 -4.516 -2.413 1.00 0.00 H new ATOM 0 HA GLU A 88 12.470 -3.986 0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.883 -5.464 -2.036 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.092 -5.619 -0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.901 -6.778 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.697 -6.626 -1.879 1.00 0.00 H new ATOM 1453 N ARG A 89 13.118 -2.540 -2.638 1.00 0.00 N ATOM 1454 CA ARG A 89 13.902 -1.449 -3.216 1.00 0.00 C ATOM 1455 C ARG A 89 13.157 -0.767 -4.357 1.00 0.00 C ATOM 1456 O ARG A 89 12.218 -1.329 -4.918 1.00 0.00 O ATOM 1457 CB ARG A 89 15.263 -1.998 -3.685 1.00 0.00 C ATOM 1458 CG ARG A 89 15.937 -1.211 -4.804 1.00 0.00 C ATOM 1459 CD ARG A 89 16.707 -0.016 -4.261 1.00 0.00 C ATOM 1460 NE ARG A 89 17.068 0.927 -5.317 1.00 0.00 N ATOM 1461 CZ ARG A 89 17.726 2.065 -5.100 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.088 2.406 -3.870 1.00 0.00 N ATOM 1463 NH2 ARG A 89 18.023 2.863 -6.117 1.00 0.00 N ATOM 0 H ARG A 89 12.347 -2.873 -3.217 1.00 0.00 H new ATOM 0 HA ARG A 89 14.066 -0.689 -2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.937 -2.029 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.125 -3.026 -4.020 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.616 -1.864 -5.351 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.184 -0.868 -5.513 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.103 0.494 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.611 -0.364 -3.761 1.00 0.00 H new ATOM 0 HE ARG A 89 16.801 0.701 -6.275 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.863 1.796 -3.084 1.00 0.00 H new ATOM 0 HH12 ARG A 89 18.592 3.278 -3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.748 2.605 -7.065 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.527 3.734 -5.951 1.00 0.00 H new ATOM 1477 N TRP A 90 13.598 0.441 -4.710 1.00 0.00 N ATOM 1478 CA TRP A 90 12.987 1.184 -5.803 1.00 0.00 C ATOM 1479 C TRP A 90 13.955 2.216 -6.379 1.00 0.00 C ATOM 1480 O TRP A 90 14.478 3.064 -5.656 1.00 0.00 O ATOM 1481 CB TRP A 90 11.673 1.833 -5.340 1.00 0.00 C ATOM 1482 CG TRP A 90 11.802 3.231 -4.824 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.090 4.352 -5.548 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.619 3.658 -3.474 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.100 5.451 -4.726 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.811 5.051 -3.449 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.311 2.996 -2.282 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.701 5.795 -2.280 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.203 3.737 -1.121 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.396 5.125 -1.129 1.00 0.00 C ATOM 0 H TRP A 90 14.374 0.921 -4.254 1.00 0.00 H new ATOM 0 HA TRP A 90 12.751 0.485 -6.606 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.973 1.834 -6.175 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.236 1.213 -4.558 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.282 4.371 -6.611 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.291 6.409 -5.019 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.160 1.927 -2.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.851 6.864 -2.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.966 3.239 -0.193 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.302 5.677 -0.205 1.00 0.00 H new ATOM 1501 N GLU A 91 14.198 2.128 -7.689 1.00 0.00 N ATOM 1502 CA GLU A 91 15.112 3.047 -8.359 1.00 0.00 C ATOM 1503 C GLU A 91 14.473 4.418 -8.554 1.00 0.00 C ATOM 1504 O GLU A 91 13.267 4.528 -8.772 1.00 0.00 O ATOM 1505 CB GLU A 91 15.540 2.475 -9.712 1.00 0.00 C ATOM 1506 CG GLU A 91 16.526 3.355 -10.462 1.00 0.00 C ATOM 1507 CD GLU A 91 17.302 2.593 -11.518 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.665 1.897 -12.336 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.548 2.693 -11.528 1.00 0.00 O ATOM 0 H GLU A 91 13.775 1.431 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 91 15.990 3.167 -7.725 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.988 1.493 -9.556 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.655 2.327 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.988 4.177 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.225 3.798 -9.752 1.00 0.00 H new ATOM 1516 N GLY A 92 15.295 5.461 -8.478 1.00 0.00 N ATOM 1517 CA GLY A 92 14.799 6.815 -8.651 1.00 0.00 C ATOM 1518 C GLY A 92 13.700 7.166 -7.668 1.00 0.00 C ATOM 1519 O GLY A 92 13.869 7.013 -6.457 1.00 0.00 O ATOM 0 H GLY A 92 16.297 5.392 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.624 7.517 -8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.423 6.933 -9.667 1.00 0.00 H new ATOM 1523 N GLU A 93 12.573 7.634 -8.189 1.00 0.00 N ATOM 1524 CA GLU A 93 11.439 8.007 -7.353 1.00 0.00 C ATOM 1525 C GLU A 93 10.181 7.265 -7.797 1.00 0.00 C ATOM 1526 O GLU A 93 9.972 7.054 -8.991 1.00 0.00 O ATOM 1527 CB GLU A 93 11.205 9.517 -7.415 1.00 0.00 C ATOM 1528 CG GLU A 93 12.337 10.332 -6.810 1.00 0.00 C ATOM 1529 CD GLU A 93 11.892 11.712 -6.370 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.561 12.537 -7.248 1.00 0.00 O ATOM 1531 OE2 GLU A 93 11.873 11.968 -5.147 1.00 0.00 O ATOM 0 H GLU A 93 12.420 7.765 -9.189 1.00 0.00 H new ATOM 0 HA GLU A 93 11.665 7.728 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.070 9.813 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.278 9.755 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.748 9.797 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.140 10.429 -7.540 1.00 0.00 H new ATOM 1538 N PRO A 94 9.314 6.870 -6.846 1.00 0.00 N ATOM 1539 CA PRO A 94 8.075 6.162 -7.153 1.00 0.00 C ATOM 1540 C PRO A 94 7.015 7.107 -7.696 1.00 0.00 C ATOM 1541 O PRO A 94 6.733 8.141 -7.093 1.00 0.00 O ATOM 1542 CB PRO A 94 7.632 5.581 -5.797 1.00 0.00 C ATOM 1543 CG PRO A 94 8.726 5.912 -4.831 1.00 0.00 C ATOM 1544 CD PRO A 94 9.449 7.093 -5.406 1.00 0.00 C ATOM 0 HA PRO A 94 8.217 5.400 -7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.684 6.015 -5.477 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.483 4.503 -5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.319 6.146 -3.847 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.402 5.066 -4.703 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.998 8.036 -5.096 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.493 7.122 -5.095 1.00 0.00 H new ATOM 1552 N TRP A 95 6.428 6.757 -8.834 1.00 0.00 N ATOM 1553 CA TRP A 95 5.402 7.601 -9.426 1.00 0.00 C ATOM 1554 C TRP A 95 4.176 6.800 -9.828 1.00 0.00 C ATOM 1555 O TRP A 95 3.062 7.093 -9.391 1.00 0.00 O ATOM 1556 CB TRP A 95 5.945 8.363 -10.638 1.00 0.00 C ATOM 1557 CG TRP A 95 6.616 7.513 -11.687 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.948 7.231 -11.777 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.996 6.861 -12.807 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.201 6.467 -12.894 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.020 6.227 -13.542 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.680 6.752 -13.263 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.765 5.508 -14.708 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.429 6.034 -14.417 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.468 5.425 -15.131 1.00 0.00 C ATOM 0 H TRP A 95 6.641 5.908 -9.357 1.00 0.00 H new ATOM 0 HA TRP A 95 5.105 8.319 -8.662 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.122 8.904 -11.105 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.659 9.109 -10.288 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.697 7.560 -11.072 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.119 6.134 -13.190 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.871 7.221 -12.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.564 5.033 -15.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.414 5.941 -14.774 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.240 4.879 -16.034 1.00 0.00 H new ATOM 1576 N GLY A 96 4.386 5.795 -10.665 1.00 0.00 N ATOM 1577 CA GLY A 96 3.284 4.963 -11.125 1.00 0.00 C ATOM 1578 C GLY A 96 2.053 5.765 -11.514 1.00 0.00 C ATOM 1579 O GLY A 96 1.943 6.243 -12.643 1.00 0.00 O ATOM 0 H GLY A 96 5.300 5.537 -11.037 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.613 4.376 -11.982 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.017 4.257 -10.339 1.00 0.00 H new ATOM 1583 N LYS A 97 1.122 5.906 -10.574 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.109 6.650 -10.819 1.00 0.00 C ATOM 1585 C LYS A 97 -0.994 6.679 -9.574 1.00 0.00 C ATOM 1586 O LYS A 97 -2.221 6.683 -9.676 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.878 6.039 -11.992 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.507 7.071 -12.914 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.426 8.013 -12.152 1.00 0.00 C ATOM 1590 CE LYS A 97 -2.715 9.275 -12.950 1.00 0.00 C ATOM 1591 NZ LYS A 97 -3.040 8.973 -14.371 1.00 0.00 N ATOM 0 H LYS A 97 1.197 5.514 -9.635 1.00 0.00 H new ATOM 0 HA LYS A 97 0.165 7.675 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.201 5.412 -12.572 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.661 5.388 -11.602 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.723 7.646 -13.407 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.071 6.565 -13.697 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.362 7.504 -11.923 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.967 8.280 -11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.548 9.810 -12.493 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.850 9.937 -12.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.457 9.814 -14.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.171 8.707 -14.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.719 8.187 -14.412 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.366 6.709 -8.401 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.101 6.748 -7.142 1.00 0.00 C ATOM 1607 C GLU A 98 -1.643 8.153 -6.890 1.00 0.00 C ATOM 1608 O GLU A 98 -2.751 8.323 -6.380 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.196 6.318 -5.985 1.00 0.00 C ATOM 1610 CG GLU A 98 1.147 7.030 -5.965 1.00 0.00 C ATOM 1611 CD GLU A 98 1.859 6.895 -4.633 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.513 7.645 -3.697 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.762 6.038 -4.528 1.00 0.00 O ATOM 0 H GLU A 98 0.649 6.707 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.939 6.054 -7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.711 6.506 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.027 5.243 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.781 6.625 -6.754 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.997 8.087 -6.187 1.00 0.00 H new ATOM 1620 N GLY A 99 -0.853 9.156 -7.265 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.264 10.537 -7.091 1.00 0.00 C ATOM 1622 C GLY A 99 -1.109 11.029 -5.664 1.00 0.00 C ATOM 1623 O GLY A 99 -1.863 11.894 -5.218 1.00 0.00 O ATOM 0 H GLY A 99 0.067 9.035 -7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.675 11.171 -7.754 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.306 10.641 -7.394 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.134 10.484 -4.945 1.00 0.00 N ATOM 1628 CA GLN A 100 0.102 10.886 -3.563 1.00 0.00 C ATOM 1629 C GLN A 100 1.593 10.977 -3.254 1.00 0.00 C ATOM 1630 O GLN A 100 2.218 9.998 -2.849 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.578 9.908 -2.604 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.096 9.967 -2.653 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.736 8.594 -2.602 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.557 8.246 -3.450 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -2.362 7.805 -1.601 1.00 0.00 N ATOM 0 H GLN A 100 0.502 9.767 -5.293 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.328 11.878 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.254 8.895 -2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.247 10.119 -1.587 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.460 10.564 -1.817 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.407 10.475 -3.566 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -1.678 8.135 -0.920 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.759 6.870 -1.513 1.00 0.00 H new ATOM 1644 N PRO A 101 2.173 12.174 -3.435 1.00 0.00 N ATOM 1645 CA PRO A 101 3.593 12.424 -3.169 1.00 0.00 C ATOM 1646 C PRO A 101 4.038 11.875 -1.813 1.00 0.00 C ATOM 1647 O PRO A 101 3.367 12.081 -0.803 1.00 0.00 O ATOM 1648 CB PRO A 101 3.662 13.947 -3.168 1.00 0.00 C ATOM 1649 CG PRO A 101 2.610 14.359 -4.130 1.00 0.00 C ATOM 1650 CD PRO A 101 1.483 13.391 -3.915 1.00 0.00 C ATOM 0 HA PRO A 101 4.245 11.940 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.474 14.354 -2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.645 14.301 -3.477 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.289 15.385 -3.948 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.976 14.317 -5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.766 13.763 -3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.931 13.204 -4.836 1.00 0.00 H new ATOM 1658 N GLY A 102 5.174 11.182 -1.796 1.00 0.00 N ATOM 1659 CA GLY A 102 5.677 10.621 -0.554 1.00 0.00 C ATOM 1660 C GLY A 102 7.160 10.872 -0.350 1.00 0.00 C ATOM 1661 O GLY A 102 7.827 11.448 -1.209 1.00 0.00 O ATOM 0 H GLY A 102 5.753 11.000 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.123 11.048 0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.491 9.547 -0.545 1.00 0.00 H new ATOM 1665 N GLU A 103 7.672 10.436 0.798 1.00 0.00 N ATOM 1666 CA GLU A 103 9.084 10.609 1.132 1.00 0.00 C ATOM 1667 C GLU A 103 9.611 9.385 1.874 1.00 0.00 C ATOM 1668 O GLU A 103 8.838 8.628 2.459 1.00 0.00 O ATOM 1669 CB GLU A 103 9.278 11.863 1.987 1.00 0.00 C ATOM 1670 CG GLU A 103 9.356 13.145 1.174 1.00 0.00 C ATOM 1671 CD GLU A 103 10.421 14.095 1.686 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.545 13.629 1.970 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.133 15.305 1.801 1.00 0.00 O ATOM 0 H GLU A 103 7.128 9.958 1.516 1.00 0.00 H new ATOM 0 HA GLU A 103 9.645 10.724 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.453 11.941 2.696 1.00 0.00 H new ATOM 0 HB3 GLU A 103 10.192 11.757 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.564 12.899 0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.387 13.645 1.196 1.00 0.00 H new ATOM 1680 N TRP A 104 10.925 9.186 1.843 1.00 0.00 N ATOM 1681 CA TRP A 104 11.535 8.041 2.518 1.00 0.00 C ATOM 1682 C TRP A 104 11.380 8.167 4.034 1.00 0.00 C ATOM 1683 O TRP A 104 12.059 8.973 4.670 1.00 0.00 O ATOM 1684 CB TRP A 104 13.026 7.933 2.152 1.00 0.00 C ATOM 1685 CG TRP A 104 13.325 8.337 0.741 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.534 8.136 -0.351 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.497 9.012 0.271 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.142 8.643 -1.474 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.349 9.186 -1.118 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.659 9.485 0.889 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.317 9.814 -1.897 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.619 10.108 0.113 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.442 10.269 -1.266 1.00 0.00 C ATOM 0 H TRP A 104 11.585 9.797 1.362 1.00 0.00 H new ATOM 0 HA TRP A 104 11.023 7.138 2.186 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.605 8.559 2.831 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.356 6.906 2.305 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.570 7.649 -0.336 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.758 8.619 -2.419 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.804 9.366 1.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.184 9.938 -2.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.521 10.477 0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.209 10.763 -1.844 1.00 0.00 H new ATOM 1704 N MET A 105 10.490 7.358 4.608 1.00 0.00 N ATOM 1705 CA MET A 105 10.258 7.375 6.053 1.00 0.00 C ATOM 1706 C MET A 105 10.560 6.015 6.669 1.00 0.00 C ATOM 1707 O MET A 105 10.367 4.979 6.034 1.00 0.00 O ATOM 1708 CB MET A 105 8.818 7.783 6.390 1.00 0.00 C ATOM 1709 CG MET A 105 8.070 8.445 5.243 1.00 0.00 C ATOM 1710 SD MET A 105 8.636 10.128 4.927 1.00 0.00 S ATOM 1711 CE MET A 105 8.060 10.962 6.403 1.00 0.00 C ATOM 0 H MET A 105 9.919 6.685 4.097 1.00 0.00 H new ATOM 0 HA MET A 105 10.935 8.118 6.475 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.266 6.897 6.705 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.836 8.466 7.239 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.195 7.848 4.340 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.004 8.461 5.470 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.956 12.028 6.201 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.094 10.553 6.699 1.00 0.00 H new ATOM 0 HE3 MET A 105 8.779 10.814 7.209 1.00 0.00 H new ATOM 1721 N SER A 106 11.023 6.026 7.912 1.00 0.00 N ATOM 1722 CA SER A 106 11.345 4.792 8.619 1.00 0.00 C ATOM 1723 C SER A 106 10.077 4.016 8.959 1.00 0.00 C ATOM 1724 O SER A 106 9.250 4.475 9.747 1.00 0.00 O ATOM 1725 CB SER A 106 12.132 5.097 9.896 1.00 0.00 C ATOM 1726 OG SER A 106 12.112 6.483 10.193 1.00 0.00 O ATOM 0 H SER A 106 11.184 6.876 8.452 1.00 0.00 H new ATOM 0 HA SER A 106 11.962 4.177 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.708 4.538 10.730 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.163 4.762 9.779 1.00 0.00 H new ATOM 0 HG SER A 106 12.808 6.939 9.675 1.00 0.00 H new ATOM 1732 N LEU A 107 9.932 2.838 8.362 1.00 0.00 N ATOM 1733 CA LEU A 107 8.764 2.001 8.607 1.00 0.00 C ATOM 1734 C LEU A 107 8.752 1.490 10.044 1.00 0.00 C ATOM 1735 O LEU A 107 7.690 1.232 10.612 1.00 0.00 O ATOM 1736 CB LEU A 107 8.735 0.822 7.633 1.00 0.00 C ATOM 1737 CG LEU A 107 7.343 0.260 7.335 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.790 -0.466 8.551 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.399 1.373 6.903 1.00 0.00 C ATOM 0 H LEU A 107 10.607 2.442 7.707 1.00 0.00 H new ATOM 0 HA LEU A 107 7.875 2.611 8.449 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.192 1.135 6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.354 0.021 8.038 1.00 0.00 H new ATOM 0 HG LEU A 107 7.429 -0.455 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.800 -0.859 8.321 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.454 -1.288 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.719 0.228 9.388 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.414 0.955 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.319 2.112 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.787 1.851 6.003 1.00 0.00 H new ATOM 1751 N VAL A 108 9.938 1.348 10.628 1.00 0.00 N ATOM 1752 CA VAL A 108 10.061 0.872 12.001 1.00 0.00 C ATOM 1753 C VAL A 108 9.245 1.738 12.959 1.00 0.00 C ATOM 1754 O VAL A 108 8.873 1.298 14.046 1.00 0.00 O ATOM 1755 CB VAL A 108 11.534 0.858 12.460 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.120 2.262 12.428 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.657 0.252 13.849 1.00 0.00 C ATOM 0 H VAL A 108 10.827 1.556 10.172 1.00 0.00 H new ATOM 0 HA VAL A 108 9.674 -0.147 12.020 1.00 0.00 H new ATOM 0 HB VAL A 108 12.103 0.238 11.767 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.159 2.230 12.755 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.071 2.653 11.412 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.550 2.910 13.094 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.703 0.251 14.154 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.073 0.841 14.556 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.283 -0.772 13.834 1.00 0.00 H new ATOM 1767 N GLY A 109 8.970 2.973 12.547 1.00 0.00 N ATOM 1768 CA GLY A 109 8.200 3.877 13.378 1.00 0.00 C ATOM 1769 C GLY A 109 6.816 4.142 12.819 1.00 0.00 C ATOM 1770 O GLY A 109 6.283 5.242 12.958 1.00 0.00 O ATOM 0 H GLY A 109 9.268 3.362 11.652 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.110 3.457 14.380 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.736 4.821 13.476 1.00 0.00 H new ATOM 1774 N LEU A 110 6.231 3.128 12.188 1.00 0.00 N ATOM 1775 CA LEU A 110 4.899 3.252 11.610 1.00 0.00 C ATOM 1776 C LEU A 110 3.875 3.530 12.705 1.00 0.00 C ATOM 1777 O LEU A 110 3.958 2.966 13.797 1.00 0.00 O ATOM 1778 CB LEU A 110 4.540 1.970 10.857 1.00 0.00 C ATOM 1779 CG LEU A 110 3.549 2.139 9.705 1.00 0.00 C ATOM 1780 CD1 LEU A 110 3.973 3.279 8.790 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.433 0.842 8.920 1.00 0.00 C ATOM 0 H LEU A 110 6.660 2.211 12.064 1.00 0.00 H new ATOM 0 HA LEU A 110 4.890 4.087 10.909 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.457 1.532 10.463 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.125 1.256 11.568 1.00 0.00 H new ATOM 0 HG LEU A 110 2.573 2.385 10.123 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.253 3.381 7.978 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.011 4.208 9.359 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.959 3.066 8.377 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.725 0.974 8.102 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.409 0.573 8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.082 0.048 9.579 1.00 0.00 H new ATOM 1793 N ASN A 111 2.924 4.419 12.427 1.00 0.00 N ATOM 1794 CA ASN A 111 1.916 4.772 13.418 1.00 0.00 C ATOM 1795 C ASN A 111 0.495 4.534 12.923 1.00 0.00 C ATOM 1796 O ASN A 111 0.119 4.965 11.833 1.00 0.00 O ATOM 1797 CB ASN A 111 2.083 6.233 13.832 1.00 0.00 C ATOM 1798 CG ASN A 111 2.442 6.384 15.297 1.00 0.00 C ATOM 1799 OD1 ASN A 111 3.528 6.854 15.637 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.528 5.985 16.174 1.00 0.00 N ATOM 0 H ASN A 111 2.832 4.902 11.533 1.00 0.00 H new ATOM 0 HA ASN A 111 2.070 4.119 14.277 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.860 6.694 13.222 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.157 6.772 13.631 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.713 6.062 17.174 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.641 5.601 15.847 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.293 3.864 13.757 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.686 3.582 13.441 1.00 0.00 C ATOM 1809 C ALA A 112 -2.528 4.858 13.537 1.00 0.00 C ATOM 1810 O ALA A 112 -3.664 4.903 13.066 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.240 2.508 14.367 1.00 0.00 C ATOM 0 H ALA A 112 0.013 3.505 14.661 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.736 3.212 12.417 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.282 2.312 14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.660 1.593 14.250 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.175 2.850 15.400 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.970 5.890 14.169 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.670 7.161 14.337 1.00 0.00 C ATOM 1819 C ASP A 113 -2.632 8.001 13.059 1.00 0.00 C ATOM 1820 O ASP A 113 -3.661 8.507 12.609 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.059 7.951 15.494 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.012 8.987 16.055 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.952 9.381 15.334 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -2.819 9.406 17.216 1.00 0.00 O ATOM 0 H ASP A 113 -1.034 5.870 14.573 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.713 6.935 14.560 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.768 7.262 16.287 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.150 8.445 15.152 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.440 8.160 12.484 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.278 8.955 11.264 1.00 0.00 C ATOM 1831 C ASP A 114 -1.958 8.286 10.075 1.00 0.00 C ATOM 1832 O ASP A 114 -2.509 8.958 9.205 1.00 0.00 O ATOM 1833 CB ASP A 114 0.206 9.198 10.938 1.00 0.00 C ATOM 1834 CG ASP A 114 1.168 8.492 11.876 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.267 8.908 13.050 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.819 7.521 11.436 1.00 0.00 O ATOM 0 H ASP A 114 -0.576 7.752 12.840 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.755 9.917 11.450 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.402 8.868 9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.404 10.269 10.970 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.914 6.961 10.042 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.527 6.203 8.959 1.00 0.00 C ATOM 1843 C PHE A 115 -4.026 6.021 9.225 1.00 0.00 C ATOM 1844 O PHE A 115 -4.515 6.379 10.296 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.819 4.845 8.819 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.590 3.694 9.397 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.124 3.794 10.664 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.783 2.528 8.682 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.839 2.756 11.217 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.498 1.481 9.228 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.025 1.597 10.498 1.00 0.00 C ATOM 0 H PHE A 115 -1.460 6.388 10.753 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.417 6.749 8.022 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.633 4.651 7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.847 4.901 9.309 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.979 4.701 11.232 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.371 2.435 7.688 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.252 2.850 12.210 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.645 0.573 8.662 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.583 0.779 10.928 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.777 5.446 8.266 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.217 5.218 8.437 1.00 0.00 C ATOM 1863 C PRO A 116 -6.498 4.123 9.468 1.00 0.00 C ATOM 1864 O PRO A 116 -5.954 3.025 9.374 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.675 4.774 7.047 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.460 4.193 6.412 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.291 4.967 6.958 1.00 0.00 C ATOM 0 HA PRO A 116 -6.736 6.104 8.803 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.477 4.039 7.111 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.059 5.615 6.470 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.368 3.132 6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.510 4.277 5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.407 4.338 7.064 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.017 5.795 6.304 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.351 4.406 10.470 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.687 3.435 11.523 1.00 0.00 C ATOM 1877 C PRO A 117 -8.411 2.200 10.990 1.00 0.00 C ATOM 1878 O PRO A 117 -8.520 1.189 11.683 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.604 4.223 12.464 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.139 5.340 11.636 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.046 5.690 10.667 1.00 0.00 C ATOM 0 HA PRO A 117 -6.789 3.046 12.002 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.409 3.596 12.848 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.054 4.599 13.327 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.045 5.038 11.111 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.400 6.197 12.257 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.446 6.079 9.731 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.379 6.452 11.070 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.911 2.287 9.762 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.629 1.175 9.148 1.00 0.00 C ATOM 1891 C ALA A 118 -8.690 0.044 8.738 1.00 0.00 C ATOM 1892 O ALA A 118 -9.140 -1.033 8.347 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.425 1.662 7.947 1.00 0.00 C ATOM 0 H ALA A 118 -8.833 3.115 9.172 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.314 0.775 9.896 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.956 0.823 7.498 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.144 2.416 8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.747 2.097 7.213 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.391 0.297 8.807 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.399 -0.697 8.419 1.00 0.00 C ATOM 1901 C ASN A 119 -5.469 -1.043 9.584 1.00 0.00 C ATOM 1902 O ASN A 119 -4.294 -1.347 9.382 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.593 -0.152 7.243 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.089 -0.666 5.907 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.304 -1.116 5.072 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.397 -0.593 5.691 1.00 0.00 N ATOM 0 H ASN A 119 -6.999 1.182 9.128 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.912 -1.614 8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.640 0.937 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.545 -0.427 7.367 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.787 -0.917 4.806 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.012 -0.213 6.410 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.998 -0.986 10.803 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.208 -1.280 11.999 1.00 0.00 C ATOM 1915 C GLU A 120 -4.911 -2.775 12.154 1.00 0.00 C ATOM 1916 O GLU A 120 -3.836 -3.142 12.613 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.913 -0.748 13.250 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.151 0.368 13.945 1.00 0.00 C ATOM 1919 CD GLU A 120 -4.445 -0.103 15.201 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -4.065 -1.292 15.259 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.270 0.717 16.127 1.00 0.00 O ATOM 0 H GLU A 120 -6.970 -0.739 10.991 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.251 -0.773 11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.903 -0.384 12.973 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -6.060 -1.569 13.952 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.418 0.786 13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.843 1.171 14.201 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.849 -3.664 11.788 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.638 -5.111 11.914 1.00 0.00 C ATOM 1930 C PRO A 121 -4.324 -5.572 11.286 1.00 0.00 C ATOM 1931 O PRO A 121 -3.588 -6.362 11.877 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.829 -5.709 11.166 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.892 -4.670 11.254 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.181 -3.345 11.238 1.00 0.00 C ATOM 0 HA PRO A 121 -5.571 -5.421 12.957 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.575 -5.929 10.129 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.152 -6.646 11.621 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.586 -4.750 10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.477 -4.787 12.166 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -7.112 -2.938 10.229 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.700 -2.604 11.846 1.00 0.00 H new ATOM 1942 N VAL A 122 -4.037 -5.078 10.086 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.812 -5.443 9.379 1.00 0.00 C ATOM 1944 C VAL A 122 -1.609 -4.699 9.946 1.00 0.00 C ATOM 1945 O VAL A 122 -0.587 -5.303 10.273 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.905 -5.141 7.868 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.975 -6.055 7.085 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.337 -5.274 7.369 1.00 0.00 C ATOM 0 H VAL A 122 -4.635 -4.424 9.582 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.686 -6.516 9.520 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.591 -4.109 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.053 -5.829 6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.948 -5.898 7.415 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.257 -7.094 7.257 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.372 -5.056 6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.690 -6.290 7.543 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.976 -4.571 7.904 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.739 -3.382 10.052 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.667 -2.545 10.570 1.00 0.00 C ATOM 1960 C ILE A 123 -0.346 -2.893 12.020 1.00 0.00 C ATOM 1961 O ILE A 123 0.801 -2.800 12.446 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.032 -1.048 10.459 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.870 -0.580 9.007 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.179 -0.202 11.400 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.502 -0.028 8.692 1.00 0.00 C ATOM 0 H ILE A 123 -2.580 -2.870 9.785 1.00 0.00 H new ATOM 0 HA ILE A 123 0.218 -2.737 9.963 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.073 -0.921 10.757 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.076 -1.417 8.340 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.616 0.186 8.797 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.458 0.847 11.300 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.342 -0.525 12.428 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.874 -0.323 11.145 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.539 0.282 7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.705 0.830 9.332 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.253 -0.798 8.869 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.362 -3.299 12.771 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.178 -3.663 14.170 1.00 0.00 C ATOM 1979 C ALA A 124 -0.104 -4.734 14.307 1.00 0.00 C ATOM 1980 O ALA A 124 0.642 -4.764 15.285 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.490 -4.147 14.770 1.00 0.00 C ATOM 0 H ALA A 124 -2.321 -3.384 12.435 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.853 -2.777 14.716 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.335 -4.415 15.815 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.234 -3.353 14.705 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.842 -5.020 14.220 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.031 -5.609 13.310 1.00 0.00 N ATOM 1988 CA LYS A 125 0.955 -6.683 13.307 1.00 0.00 C ATOM 1989 C LYS A 125 2.369 -6.122 13.176 1.00 0.00 C ATOM 1990 O LYS A 125 3.262 -6.476 13.944 1.00 0.00 O ATOM 1991 CB LYS A 125 0.673 -7.660 12.165 1.00 0.00 C ATOM 1992 CG LYS A 125 1.078 -9.092 12.475 1.00 0.00 C ATOM 1993 CD LYS A 125 0.070 -10.089 11.928 1.00 0.00 C ATOM 1994 CE LYS A 125 0.158 -11.425 12.646 1.00 0.00 C ATOM 1995 NZ LYS A 125 -1.189 -11.990 12.937 1.00 0.00 N ATOM 0 H LYS A 125 -0.643 -5.596 12.494 1.00 0.00 H new ATOM 0 HA LYS A 125 0.880 -7.214 14.256 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.391 -7.635 11.931 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.203 -7.326 11.273 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.060 -9.294 12.047 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.169 -9.220 13.554 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.937 -9.684 12.033 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.245 -10.236 10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 125 0.722 -12.129 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 125 0.708 -11.300 13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.085 -12.901 13.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.719 -11.330 13.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.705 -12.133 12.046 1.00 0.00 H new ATOM 2009 N LEU A 126 2.562 -5.244 12.196 1.00 0.00 N ATOM 2010 CA LEU A 126 3.866 -4.632 11.959 1.00 0.00 C ATOM 2011 C LEU A 126 4.139 -3.513 12.960 1.00 0.00 C ATOM 2012 O LEU A 126 5.292 -3.197 13.255 1.00 0.00 O ATOM 2013 CB LEU A 126 3.942 -4.080 10.534 1.00 0.00 C ATOM 2014 CG LEU A 126 5.348 -4.028 9.931 1.00 0.00 C ATOM 2015 CD1 LEU A 126 6.180 -2.951 10.606 1.00 0.00 C ATOM 2016 CD2 LEU A 126 6.030 -5.384 10.049 1.00 0.00 C ATOM 0 H LEU A 126 1.831 -4.940 11.552 1.00 0.00 H new ATOM 0 HA LEU A 126 4.625 -5.403 12.088 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.310 -4.692 9.890 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.524 -3.073 10.528 1.00 0.00 H new ATOM 0 HG LEU A 126 5.259 -3.779 8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 126 7.176 -2.930 10.163 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.701 -1.982 10.468 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.261 -3.168 11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 126 7.028 -5.328 9.615 1.00 0.00 H new ATOM 0 HD22 LEU A 126 6.106 -5.663 11.100 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.444 -6.133 9.516 1.00 0.00 H new ATOM 2028 N LYS A 127 3.072 -2.914 13.478 1.00 0.00 N ATOM 2029 CA LYS A 127 3.192 -1.828 14.443 1.00 0.00 C ATOM 2030 C LYS A 127 3.970 -2.278 15.666 1.00 0.00 C ATOM 2031 O LYS A 127 4.833 -1.558 16.169 1.00 0.00 O ATOM 2032 CB LYS A 127 1.810 -1.356 14.865 1.00 0.00 C ATOM 2033 CG LYS A 127 1.822 -0.045 15.631 1.00 0.00 C ATOM 2034 CD LYS A 127 0.505 0.700 15.484 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.378 0.519 16.708 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.068 -0.800 16.706 1.00 0.00 N ATOM 0 H LYS A 127 2.111 -3.164 13.244 1.00 0.00 H new ATOM 0 HA LYS A 127 3.730 -1.007 13.970 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.187 -1.243 13.977 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.346 -2.124 15.484 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.014 -0.241 16.686 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.638 0.581 15.269 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.701 1.761 15.330 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.020 0.341 14.599 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.228 0.610 17.609 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.120 1.317 16.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.660 -0.883 17.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -1.667 -0.877 15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.360 -1.562 16.700 1.00 0.00 H new ATOM 2050 N ARG A 128 3.670 -3.483 16.127 1.00 0.00 N ATOM 2051 CA ARG A 128 4.355 -4.044 17.280 1.00 0.00 C ATOM 2052 C ARG A 128 5.770 -4.469 16.890 1.00 0.00 C ATOM 2053 O ARG A 128 6.562 -4.877 17.738 1.00 0.00 O ATOM 2054 CB ARG A 128 3.572 -5.237 17.833 1.00 0.00 C ATOM 2055 CG ARG A 128 4.295 -5.985 18.942 1.00 0.00 C ATOM 2056 CD ARG A 128 3.409 -7.053 19.561 1.00 0.00 C ATOM 2057 NE ARG A 128 2.340 -6.475 20.373 1.00 0.00 N ATOM 2058 CZ ARG A 128 2.542 -5.860 21.536 1.00 0.00 C ATOM 2059 NH1 ARG A 128 3.771 -5.742 22.027 1.00 0.00 N ATOM 2060 NH2 ARG A 128 1.515 -5.361 22.210 1.00 0.00 N ATOM 0 H ARG A 128 2.958 -4.090 15.721 1.00 0.00 H new ATOM 0 HA ARG A 128 4.419 -3.283 18.058 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.612 -4.886 18.211 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.360 -5.930 17.018 1.00 0.00 H new ATOM 0 HG2 ARG A 128 5.198 -6.446 18.543 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.610 -5.281 19.712 1.00 0.00 H new ATOM 0 HD2 ARG A 128 2.974 -7.665 18.771 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.016 -7.714 20.179 1.00 0.00 H new ATOM 0 HE ARG A 128 1.383 -6.547 20.028 1.00 0.00 H new ATOM 0 HH11 ARG A 128 4.565 -6.124 21.512 1.00 0.00 H new ATOM 0 HH12 ARG A 128 3.921 -5.270 22.919 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.570 -5.448 21.837 1.00 0.00 H new ATOM 0 HH22 ARG A 128 1.670 -4.890 23.101 1.00 0.00 H new ATOM 2074 N LEU A 129 6.077 -4.363 15.595 1.00 0.00 N ATOM 2075 CA LEU A 129 7.395 -4.729 15.082 1.00 0.00 C ATOM 2076 C LEU A 129 7.853 -6.075 15.638 1.00 0.00 C ATOM 2077 O LEU A 129 7.281 -7.116 15.318 1.00 0.00 O ATOM 2078 CB LEU A 129 8.414 -3.643 15.430 1.00 0.00 C ATOM 2079 CG LEU A 129 7.955 -2.209 15.147 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.558 -1.511 16.439 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.045 -1.425 14.428 1.00 0.00 C ATOM 0 H LEU A 129 5.428 -4.026 14.883 1.00 0.00 H new ATOM 0 HA LEU A 129 7.321 -4.820 13.998 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.664 -3.726 16.488 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.330 -3.832 14.870 1.00 0.00 H new ATOM 0 HG LEU A 129 7.082 -2.253 14.496 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.235 -0.494 16.218 1.00 0.00 H new ATOM 0 HD12 LEU A 129 6.741 -2.057 16.911 1.00 0.00 H new ATOM 0 HD13 LEU A 129 8.413 -1.482 17.114 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.697 -0.410 14.237 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.939 -1.391 15.050 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.279 -1.912 13.481 1.00 0.00 H new