USER MOD reduce.3.24.130724 H: found=0, std=0, add=680, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 GLN : amide:sc= -1.59 K(o=-2.7,f=-1.1) USER MOD Set 1.2: A 83 MET CE :methyl -139:sc= -1.11 (180deg=-3.71!) USER MOD Set 2.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 5 THR OG1 : rot -150:sc= -0.0914 USER MOD Single : A 4 ASN : amide:sc= -1.32 K(o=-1.3,f=-7.1!) USER MOD Single : A 12 ASN : amide:sc= -2.1! C(o=-2.1!,f=-3.9!) USER MOD Single : A 25 CYS SG : rot 41:sc= 0.796 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -1.18! K(o=-1.2!,f=-0.38) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -46:sc= 0.741! USER MOD Single : A 47 SER OG : rot 180:sc= 0.444 USER MOD Single : A 49 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.9!) USER MOD Single : A 57 ASN : amide:sc= -0.0246 K(o=-0.025,f=-1.5!) USER MOD Single : A 61 HIS : no HD1:sc= -1.85! C(o=-1.8!,f=-4.2!) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc=-0.00358 (180deg=-0.218) USER MOD Single : A 67 ASN : amide:sc= -0.516 X(o=-0.52,f=-0.63) USER MOD Single : A 71 GLN : amide:sc= -0.432 K(o=-0.43,f=-0.97) USER MOD Single : A 73 SER OG : rot -14:sc= 0.872! USER MOD Single : A 74 CYS SG : rot -111:sc= 0.329 USER MOD Single : A 77 THR OG1 : rot -48:sc= 0.869 USER MOD Single : A 85 THR OG1 : rot -150:sc= -1.27 USER MOD Single : A 86 SER OG : rot -9:sc= 0.733 USER MOD Single : A 90 THR OG1 : rot -57:sc= 0.839 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 56.369 5.409 -1.769 1.00 0.00 N ATOM 28 CA LYS A 3 57.154 6.599 -1.448 1.00 0.00 C ATOM 29 C LYS A 3 58.642 6.265 -1.368 1.00 0.00 C ATOM 30 O LYS A 3 59.055 5.440 -0.556 1.00 0.00 O ATOM 31 CB LYS A 3 56.677 7.181 -0.107 1.00 0.00 C ATOM 32 CG LYS A 3 57.557 8.365 0.333 1.00 0.00 C ATOM 33 CD LYS A 3 57.508 9.480 -0.719 1.00 0.00 C ATOM 34 CE LYS A 3 58.029 10.785 -0.116 1.00 0.00 C ATOM 35 NZ LYS A 3 57.850 11.890 -1.100 1.00 0.00 N1+ ATOM 0 HA LYS A 3 57.011 7.334 -2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.641 7.509 -0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 3 56.699 6.404 0.658 1.00 0.00 H new ATOM 0 HG2 LYS A 3 57.212 8.746 1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 3 58.585 8.031 0.473 1.00 0.00 H new ATOM 0 HD2 LYS A 3 58.110 9.203 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 3 56.486 9.615 -1.072 1.00 0.00 H new ATOM 0 HE2 LYS A 3 57.492 11.013 0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 3 59.082 10.683 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 58.204 12.779 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 58.381 11.672 -1.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 56.840 11.991 -1.328 1.00 0.00 H new ATOM 49 N ASN A 4 59.443 6.928 -2.202 1.00 0.00 N ATOM 50 CA ASN A 4 60.892 6.720 -2.214 1.00 0.00 C ATOM 51 C ASN A 4 61.596 8.047 -2.465 1.00 0.00 C ATOM 52 O ASN A 4 61.523 8.590 -3.569 1.00 0.00 O ATOM 53 CB ASN A 4 61.272 5.711 -3.298 1.00 0.00 C ATOM 54 CG ASN A 4 60.578 6.061 -4.610 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.917 7.096 -4.710 1.00 0.00 O ATOM 56 ND2 ASN A 4 60.688 5.253 -5.631 1.00 0.00 N ATOM 0 H ASN A 4 59.113 7.615 -2.880 1.00 0.00 H new ATOM 0 HA ASN A 4 61.204 6.325 -1.247 1.00 0.00 H new ATOM 0 HB2 ASN A 4 62.353 5.708 -3.439 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.989 4.706 -2.985 1.00 0.00 H new ATOM 0 HD21 ASN A 4 60.226 5.479 -6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 4 61.236 4.397 -5.547 1.00 0.00 H new ATOM 63 N THR A 5 62.275 8.583 -1.444 1.00 0.00 N ATOM 64 CA THR A 5 62.975 9.864 -1.600 1.00 0.00 C ATOM 65 C THR A 5 64.239 9.898 -0.746 1.00 0.00 C ATOM 66 O THR A 5 64.172 9.925 0.480 1.00 0.00 O ATOM 67 CB THR A 5 62.049 11.010 -1.187 1.00 0.00 C ATOM 68 OG1 THR A 5 60.789 10.845 -1.822 1.00 0.00 O ATOM 69 CG2 THR A 5 62.660 12.348 -1.608 1.00 0.00 C ATOM 0 H THR A 5 62.355 8.161 -0.519 1.00 0.00 H new ATOM 0 HA THR A 5 63.259 9.977 -2.646 1.00 0.00 H new ATOM 0 HB THR A 5 61.921 11.000 -0.105 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.381 11.723 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 5 61.996 13.160 -1.311 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.628 12.475 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 5 62.792 12.364 -2.690 1.00 0.00 H new ATOM 77 N VAL A 6 65.389 9.887 -1.405 1.00 0.00 N ATOM 78 CA VAL A 6 66.664 9.898 -0.693 1.00 0.00 C ATOM 79 C VAL A 6 66.771 11.096 0.238 1.00 0.00 C ATOM 80 O VAL A 6 66.608 12.242 -0.180 1.00 0.00 O ATOM 81 CB VAL A 6 67.822 9.968 -1.695 1.00 0.00 C ATOM 82 CG1 VAL A 6 69.163 9.955 -0.954 1.00 0.00 C ATOM 83 CG2 VAL A 6 67.761 8.777 -2.643 1.00 0.00 C ATOM 0 H VAL A 6 65.468 9.871 -2.422 1.00 0.00 H new ATOM 0 HA VAL A 6 66.717 8.981 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 6 67.734 10.893 -2.265 1.00 0.00 H new ATOM 0 HG11 VAL A 6 69.978 10.005 -1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 6 69.217 10.814 -0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 6 69.249 9.037 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 6 68.587 8.834 -3.352 1.00 0.00 H new ATOM 0 HG22 VAL A 6 67.837 7.852 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 6 66.816 8.792 -3.185 1.00 0.00 H new ATOM 93 N VAL A 7 67.095 10.818 1.496 1.00 0.00 N ATOM 94 CA VAL A 7 67.280 11.869 2.486 1.00 0.00 C ATOM 95 C VAL A 7 68.735 12.308 2.433 1.00 0.00 C ATOM 96 O VAL A 7 69.087 13.437 2.781 1.00 0.00 O ATOM 97 CB VAL A 7 66.946 11.338 3.883 1.00 0.00 C ATOM 98 CG1 VAL A 7 67.095 12.463 4.913 1.00 0.00 C ATOM 99 CG2 VAL A 7 65.504 10.811 3.899 1.00 0.00 C ATOM 0 H VAL A 7 67.235 9.873 1.853 1.00 0.00 H new ATOM 0 HA VAL A 7 66.620 12.710 2.273 1.00 0.00 H new ATOM 0 HB VAL A 7 67.631 10.528 4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.856 12.081 5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 7 68.121 12.832 4.903 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.414 13.277 4.664 1.00 0.00 H new ATOM 0 HG21 VAL A 7 65.266 10.433 4.893 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.818 11.619 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 7 65.403 10.006 3.171 1.00 0.00 H new ATOM 109 N ARG A 8 69.570 11.382 1.974 1.00 0.00 N ATOM 110 CA ARG A 8 70.995 11.607 1.836 1.00 0.00 C ATOM 111 C ARG A 8 71.606 10.496 0.998 1.00 0.00 C ATOM 112 O ARG A 8 71.297 9.319 1.180 1.00 0.00 O ATOM 113 CB ARG A 8 71.682 11.656 3.218 1.00 0.00 C ATOM 114 CG ARG A 8 73.187 11.333 3.085 1.00 0.00 C ATOM 115 CD ARG A 8 73.910 11.680 4.386 1.00 0.00 C ATOM 116 NE ARG A 8 73.938 13.131 4.582 1.00 0.00 N ATOM 117 CZ ARG A 8 73.648 13.686 5.759 1.00 0.00 C ATOM 118 NH1 ARG A 8 73.610 12.952 6.837 1.00 0.00 N1+ ATOM 119 NH2 ARG A 8 73.403 14.965 5.837 1.00 0.00 N ATOM 0 H ARG A 8 69.270 10.450 1.687 1.00 0.00 H new ATOM 0 HA ARG A 8 71.148 12.567 1.343 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.554 12.644 3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 8 71.209 10.942 3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 8 73.322 10.276 2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.617 11.897 2.258 1.00 0.00 H new ATOM 0 HD2 ARG A 8 73.408 11.202 5.227 1.00 0.00 H new ATOM 0 HD3 ARG A 8 74.928 11.290 4.359 1.00 0.00 H new ATOM 0 HE ARG A 8 74.186 13.733 3.797 1.00 0.00 H new ATOM 0 HH11 ARG A 8 73.802 11.952 6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 8 73.388 13.378 7.737 1.00 0.00 H new ATOM 0 HH21 ARG A 8 73.433 15.542 4.997 1.00 0.00 H new ATOM 0 HH22 ARG A 8 73.181 15.388 6.738 1.00 0.00 H new ATOM 133 N GLY A 9 72.505 10.882 0.112 1.00 0.00 N ATOM 134 CA GLY A 9 73.204 9.929 -0.721 1.00 0.00 C ATOM 135 C GLY A 9 74.522 9.570 -0.057 1.00 0.00 C ATOM 136 O GLY A 9 74.809 10.022 1.051 1.00 0.00 O ATOM 0 H GLY A 9 72.767 11.855 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.597 9.035 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.383 10.352 -1.710 1.00 0.00 H new ATOM 140 N LEU A 10 75.323 8.773 -0.731 1.00 0.00 N ATOM 141 CA LEU A 10 76.609 8.383 -0.182 1.00 0.00 C ATOM 142 C LEU A 10 77.507 9.612 -0.086 1.00 0.00 C ATOM 143 O LEU A 10 77.202 10.650 -0.672 1.00 0.00 O ATOM 144 CB LEU A 10 77.230 7.307 -1.078 1.00 0.00 C ATOM 145 CG LEU A 10 76.334 6.048 -1.054 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.531 5.243 -2.342 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.705 5.156 0.132 1.00 0.00 C ATOM 0 H LEU A 10 75.112 8.385 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 10 76.489 7.969 0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.329 7.678 -2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.233 7.061 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 10 75.296 6.369 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.896 4.357 -2.318 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.262 5.859 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.575 4.940 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 10 76.066 4.273 0.137 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.747 4.849 0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 10 76.566 5.709 1.061 1.00 0.00 H new ATOM 159 N GLU A 11 78.614 9.502 0.648 1.00 0.00 N ATOM 160 CA GLU A 11 79.544 10.626 0.803 1.00 0.00 C ATOM 161 C GLU A 11 80.981 10.132 0.701 1.00 0.00 C ATOM 162 O GLU A 11 81.240 8.931 0.774 1.00 0.00 O ATOM 163 CB GLU A 11 79.345 11.300 2.165 1.00 0.00 C ATOM 164 CG GLU A 11 77.974 11.982 2.222 1.00 0.00 C ATOM 165 CD GLU A 11 77.930 13.154 1.242 1.00 0.00 C ATOM 166 OE1 GLU A 11 78.991 13.641 0.888 1.00 0.00 O ATOM 167 OE2 GLU A 11 76.839 13.551 0.865 1.00 0.00 O1- ATOM 0 H GLU A 11 78.890 8.653 1.142 1.00 0.00 H new ATOM 0 HA GLU A 11 79.345 11.347 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.424 10.559 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.132 12.035 2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.191 11.264 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.777 12.336 3.234 1.00 0.00 H new ATOM 174 N ASN A 12 81.913 11.060 0.540 1.00 0.00 N ATOM 175 CA ASN A 12 83.320 10.695 0.439 1.00 0.00 C ATOM 176 C ASN A 12 83.769 9.965 1.706 1.00 0.00 C ATOM 177 O ASN A 12 83.324 10.285 2.807 1.00 0.00 O ATOM 178 CB ASN A 12 84.171 11.949 0.220 1.00 0.00 C ATOM 179 CG ASN A 12 84.105 12.860 1.442 1.00 0.00 C ATOM 180 OD1 ASN A 12 83.350 12.596 2.378 1.00 0.00 O ATOM 181 ND2 ASN A 12 84.856 13.929 1.489 1.00 0.00 N ATOM 0 H ASN A 12 81.725 12.061 0.477 1.00 0.00 H new ATOM 0 HA ASN A 12 83.451 10.027 -0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 12 85.205 11.664 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 12 83.818 12.486 -0.661 1.00 0.00 H new ATOM 0 HD21 ASN A 12 84.817 14.545 2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.481 14.147 0.713 1.00 0.00 H new ATOM 188 N VAL A 13 84.665 8.988 1.544 1.00 0.00 N ATOM 189 CA VAL A 13 85.183 8.224 2.691 1.00 0.00 C ATOM 190 C VAL A 13 86.705 8.119 2.607 1.00 0.00 C ATOM 191 O VAL A 13 87.255 7.791 1.557 1.00 0.00 O ATOM 192 CB VAL A 13 84.544 6.823 2.729 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.257 5.945 3.770 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.066 6.954 3.112 1.00 0.00 C ATOM 0 H VAL A 13 85.046 8.706 0.641 1.00 0.00 H new ATOM 0 HA VAL A 13 84.922 8.746 3.611 1.00 0.00 H new ATOM 0 HB VAL A 13 84.637 6.361 1.746 1.00 0.00 H new ATOM 0 HG11 VAL A 13 84.797 4.957 3.789 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.310 5.850 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.170 6.404 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.608 5.965 3.140 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.985 7.420 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.552 7.570 2.374 1.00 0.00 H new ATOM 204 N GLU A 14 87.383 8.408 3.721 1.00 0.00 N ATOM 205 CA GLU A 14 88.850 8.354 3.772 1.00 0.00 C ATOM 206 C GLU A 14 89.316 7.521 4.959 1.00 0.00 C ATOM 207 O GLU A 14 88.826 7.691 6.076 1.00 0.00 O ATOM 208 CB GLU A 14 89.417 9.773 3.887 1.00 0.00 C ATOM 209 CG GLU A 14 90.949 9.743 3.765 1.00 0.00 C ATOM 210 CD GLU A 14 91.581 9.281 5.075 1.00 0.00 C ATOM 211 OE1 GLU A 14 90.941 9.419 6.104 1.00 0.00 O1- ATOM 212 OE2 GLU A 14 92.701 8.800 5.028 1.00 0.00 O ATOM 0 H GLU A 14 86.942 8.682 4.599 1.00 0.00 H new ATOM 0 HA GLU A 14 89.211 7.889 2.855 1.00 0.00 H new ATOM 0 HB2 GLU A 14 88.995 10.406 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 14 89.129 10.211 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 14 91.242 9.073 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 14 91.319 10.735 3.506 1.00 0.00 H new ATOM 219 N ALA A 15 90.273 6.625 4.715 1.00 0.00 N ATOM 220 CA ALA A 15 90.800 5.778 5.777 1.00 0.00 C ATOM 221 C ALA A 15 92.184 5.247 5.412 1.00 0.00 C ATOM 222 O ALA A 15 92.466 4.964 4.246 1.00 0.00 O ATOM 223 CB ALA A 15 89.849 4.605 6.017 1.00 0.00 C ATOM 0 H ALA A 15 90.694 6.470 3.799 1.00 0.00 H new ATOM 0 HA ALA A 15 90.886 6.375 6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.245 3.972 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 15 88.870 4.984 6.309 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.754 4.021 5.102 1.00 0.00 H new ATOM 229 N LEU A 16 93.040 5.103 6.419 1.00 0.00 N ATOM 230 CA LEU A 16 94.389 4.593 6.195 1.00 0.00 C ATOM 231 C LEU A 16 94.329 3.086 5.971 1.00 0.00 C ATOM 232 O LEU A 16 93.378 2.430 6.397 1.00 0.00 O ATOM 233 CB LEU A 16 95.279 4.900 7.404 1.00 0.00 C ATOM 234 CG LEU A 16 95.657 6.386 7.412 1.00 0.00 C ATOM 235 CD1 LEU A 16 94.397 7.244 7.598 1.00 0.00 C ATOM 236 CD2 LEU A 16 96.632 6.655 8.562 1.00 0.00 C ATOM 0 H LEU A 16 92.827 5.330 7.390 1.00 0.00 H new ATOM 0 HA LEU A 16 94.812 5.078 5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 16 94.756 4.644 8.325 1.00 0.00 H new ATOM 0 HB3 LEU A 16 96.180 4.287 7.368 1.00 0.00 H new ATOM 0 HG LEU A 16 96.128 6.643 6.463 1.00 0.00 H new ATOM 0 HD11 LEU A 16 94.672 8.299 7.603 1.00 0.00 H new ATOM 0 HD12 LEU A 16 93.703 7.054 6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 16 93.920 6.989 8.544 1.00 0.00 H new ATOM 0 HD21 LEU A 16 96.903 7.711 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 16 96.159 6.394 9.509 1.00 0.00 H new ATOM 0 HD23 LEU A 16 97.530 6.052 8.427 1.00 0.00 H new ATOM 248 N GLU A 17 95.340 2.535 5.307 1.00 0.00 N ATOM 249 CA GLU A 17 95.365 1.098 5.049 1.00 0.00 C ATOM 250 C GLU A 17 94.969 0.316 6.305 1.00 0.00 C ATOM 251 O GLU A 17 95.087 0.816 7.425 1.00 0.00 O ATOM 252 CB GLU A 17 96.758 0.673 4.567 1.00 0.00 C ATOM 253 CG GLU A 17 96.858 -0.863 4.509 1.00 0.00 C ATOM 254 CD GLU A 17 97.168 -1.441 5.891 1.00 0.00 C ATOM 255 OE1 GLU A 17 97.677 -0.709 6.726 1.00 0.00 O1- ATOM 256 OE2 GLU A 17 96.889 -2.612 6.094 1.00 0.00 O ATOM 0 H GLU A 17 96.141 3.051 4.943 1.00 0.00 H new ATOM 0 HA GLU A 17 94.640 0.873 4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 17 96.953 1.094 3.581 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.519 1.069 5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 17 95.921 -1.279 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 17 97.637 -1.155 3.805 1.00 0.00 H new ATOM 263 N GLY A 18 94.492 -0.911 6.104 1.00 0.00 N ATOM 264 CA GLY A 18 94.070 -1.761 7.211 1.00 0.00 C ATOM 265 C GLY A 18 93.000 -1.068 8.046 1.00 0.00 C ATOM 266 O GLY A 18 92.761 -1.433 9.196 1.00 0.00 O ATOM 0 H GLY A 18 94.389 -1.337 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.683 -2.704 6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 18 94.928 -2.002 7.838 1.00 0.00 H new ATOM 270 N GLY A 19 92.360 -0.068 7.452 1.00 0.00 N ATOM 271 CA GLY A 19 91.310 0.683 8.136 1.00 0.00 C ATOM 272 C GLY A 19 89.939 0.111 7.807 1.00 0.00 C ATOM 273 O GLY A 19 89.828 -0.949 7.192 1.00 0.00 O ATOM 0 H GLY A 19 92.548 0.243 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 19 91.475 0.650 9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.353 1.731 7.839 1.00 0.00 H new ATOM 277 N GLU A 20 88.893 0.831 8.210 1.00 0.00 N ATOM 278 CA GLU A 20 87.517 0.407 7.944 1.00 0.00 C ATOM 279 C GLU A 20 86.750 1.550 7.299 1.00 0.00 C ATOM 280 O GLU A 20 87.158 2.709 7.384 1.00 0.00 O ATOM 281 CB GLU A 20 86.820 -0.026 9.241 1.00 0.00 C ATOM 282 CG GLU A 20 86.878 1.100 10.274 1.00 0.00 C ATOM 283 CD GLU A 20 86.174 0.661 11.555 1.00 0.00 C ATOM 284 OE1 GLU A 20 85.554 -0.390 11.536 1.00 0.00 O1- ATOM 285 OE2 GLU A 20 86.259 1.386 12.531 1.00 0.00 O ATOM 0 H GLU A 20 88.971 1.710 8.722 1.00 0.00 H new ATOM 0 HA GLU A 20 87.538 -0.447 7.267 1.00 0.00 H new ATOM 0 HB2 GLU A 20 85.782 -0.287 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.300 -0.920 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 20 87.915 1.357 10.488 1.00 0.00 H new ATOM 0 HG3 GLU A 20 86.403 1.997 9.876 1.00 0.00 H new ATOM 292 N ALA A 21 85.640 1.223 6.646 1.00 0.00 N ATOM 293 CA ALA A 21 84.825 2.237 5.978 1.00 0.00 C ATOM 294 C ALA A 21 83.353 1.987 6.232 1.00 0.00 C ATOM 295 O ALA A 21 82.889 0.842 6.207 1.00 0.00 O ATOM 296 CB ALA A 21 85.084 2.217 4.469 1.00 0.00 C ATOM 0 H ALA A 21 85.284 0.271 6.564 1.00 0.00 H new ATOM 0 HA ALA A 21 85.099 3.212 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 21 84.471 2.977 3.984 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.137 2.424 4.278 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.829 1.236 4.069 1.00 0.00 H new ATOM 302 N LEU A 22 82.621 3.073 6.481 1.00 0.00 N ATOM 303 CA LEU A 22 81.192 2.987 6.742 1.00 0.00 C ATOM 304 C LEU A 22 80.436 3.993 5.891 1.00 0.00 C ATOM 305 O LEU A 22 80.678 5.196 5.974 1.00 0.00 O ATOM 306 CB LEU A 22 80.907 3.263 8.226 1.00 0.00 C ATOM 307 CG LEU A 22 81.918 2.504 9.120 1.00 0.00 C ATOM 308 CD1 LEU A 22 83.110 3.407 9.461 1.00 0.00 C ATOM 309 CD2 LEU A 22 81.239 2.071 10.429 1.00 0.00 C ATOM 0 H LEU A 22 82.998 4.020 6.507 1.00 0.00 H new ATOM 0 HA LEU A 22 80.858 1.981 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 22 80.970 4.333 8.422 1.00 0.00 H new ATOM 0 HB3 LEU A 22 79.891 2.954 8.471 1.00 0.00 H new ATOM 0 HG LEU A 22 82.267 1.628 8.574 1.00 0.00 H new ATOM 0 HD11 LEU A 22 83.813 2.860 10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.609 3.714 8.542 1.00 0.00 H new ATOM 0 HD13 LEU A 22 82.757 4.290 9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.957 1.538 11.052 1.00 0.00 H new ATOM 0 HD22 LEU A 22 80.880 2.952 10.961 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.398 1.416 10.203 1.00 0.00 H new ATOM 321 N PHE A 23 79.511 3.493 5.079 1.00 0.00 N ATOM 322 CA PHE A 23 78.704 4.351 4.216 1.00 0.00 C ATOM 323 C PHE A 23 77.271 4.415 4.735 1.00 0.00 C ATOM 324 O PHE A 23 76.511 3.452 4.615 1.00 0.00 O ATOM 325 CB PHE A 23 78.711 3.790 2.786 1.00 0.00 C ATOM 326 CG PHE A 23 79.981 4.190 2.071 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.026 5.393 1.357 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.106 3.358 2.112 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.192 5.764 0.683 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.275 3.730 1.434 1.00 0.00 C ATOM 331 CZ PHE A 23 82.315 4.934 0.720 1.00 0.00 C ATOM 0 H PHE A 23 79.301 2.498 5.000 1.00 0.00 H new ATOM 0 HA PHE A 23 79.126 5.356 4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.628 2.703 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 23 77.845 4.161 2.238 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.158 6.035 1.327 1.00 0.00 H new ATOM 0 HD2 PHE A 23 81.073 2.431 2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.225 6.693 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.144 3.089 1.462 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.215 5.221 0.197 1.00 0.00 H new ATOM 341 N GLU A 24 76.919 5.553 5.335 1.00 0.00 N ATOM 342 CA GLU A 24 75.579 5.741 5.896 1.00 0.00 C ATOM 343 C GLU A 24 74.698 6.577 4.975 1.00 0.00 C ATOM 344 O GLU A 24 74.915 7.776 4.800 1.00 0.00 O ATOM 345 CB GLU A 24 75.685 6.437 7.256 1.00 0.00 C ATOM 346 CG GLU A 24 76.231 5.456 8.289 1.00 0.00 C ATOM 347 CD GLU A 24 76.393 6.151 9.638 1.00 0.00 C ATOM 348 OE1 GLU A 24 76.037 7.313 9.730 1.00 0.00 O ATOM 349 OE2 GLU A 24 76.871 5.508 10.560 1.00 0.00 O1- ATOM 0 H GLU A 24 77.539 6.355 5.445 1.00 0.00 H new ATOM 0 HA GLU A 24 75.122 4.758 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.340 7.305 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.706 6.802 7.567 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.555 4.606 8.388 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.191 5.063 7.956 1.00 0.00 H new ATOM 356 N CYS A 25 73.697 5.922 4.394 1.00 0.00 N ATOM 357 CA CYS A 25 72.755 6.576 3.486 1.00 0.00 C ATOM 358 C CYS A 25 71.333 6.396 4.011 1.00 0.00 C ATOM 359 O CYS A 25 70.882 5.272 4.238 1.00 0.00 O ATOM 360 CB CYS A 25 72.886 5.954 2.090 1.00 0.00 C ATOM 361 SG CYS A 25 71.449 6.389 1.079 1.00 0.00 S ATOM 0 H CYS A 25 73.515 4.929 4.537 1.00 0.00 H new ATOM 0 HA CYS A 25 72.977 7.641 3.426 1.00 0.00 H new ATOM 0 HB2 CYS A 25 73.799 6.307 1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 25 72.968 4.870 2.172 1.00 0.00 H new ATOM 0 HG CYS A 25 71.135 7.634 1.284 1.00 0.00 H new ATOM 367 N GLN A 26 70.633 7.512 4.210 1.00 0.00 N ATOM 368 CA GLN A 26 69.261 7.479 4.721 1.00 0.00 C ATOM 369 C GLN A 26 68.268 7.814 3.611 1.00 0.00 C ATOM 370 O GLN A 26 68.468 8.762 2.857 1.00 0.00 O ATOM 371 CB GLN A 26 69.119 8.502 5.854 1.00 0.00 C ATOM 372 CG GLN A 26 69.962 8.054 7.054 1.00 0.00 C ATOM 373 CD GLN A 26 69.876 9.088 8.173 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.787 9.565 8.497 1.00 0.00 O ATOM 375 NE2 GLN A 26 70.968 9.461 8.791 1.00 0.00 N ATOM 0 H GLN A 26 70.991 8.449 4.026 1.00 0.00 H new ATOM 0 HA GLN A 26 69.047 6.477 5.092 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.444 9.485 5.514 1.00 0.00 H new ATOM 0 HB3 GLN A 26 68.073 8.596 6.145 1.00 0.00 H new ATOM 0 HG2 GLN A 26 69.610 7.087 7.414 1.00 0.00 H new ATOM 0 HG3 GLN A 26 71.000 7.922 6.750 1.00 0.00 H new ATOM 0 HE21 GLN A 26 71.868 9.064 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 26 70.919 10.148 9.543 1.00 0.00 H new ATOM 384 N LEU A 27 67.193 7.031 3.515 1.00 0.00 N ATOM 385 CA LEU A 27 66.166 7.260 2.491 1.00 0.00 C ATOM 386 C LEU A 27 64.772 7.103 3.094 1.00 0.00 C ATOM 387 O LEU A 27 64.618 6.562 4.189 1.00 0.00 O ATOM 388 CB LEU A 27 66.340 6.293 1.296 1.00 0.00 C ATOM 389 CG LEU A 27 66.816 4.901 1.755 1.00 0.00 C ATOM 390 CD1 LEU A 27 68.274 4.947 2.275 1.00 0.00 C ATOM 391 CD2 LEU A 27 65.877 4.365 2.848 1.00 0.00 C ATOM 0 H LEU A 27 67.009 6.237 4.128 1.00 0.00 H new ATOM 0 HA LEU A 27 66.282 8.279 2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.393 6.197 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.060 6.710 0.592 1.00 0.00 H new ATOM 0 HG LEU A 27 66.791 4.231 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 27 68.579 3.949 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 27 68.933 5.293 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 27 68.337 5.631 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.217 3.381 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.882 5.047 3.699 1.00 0.00 H new ATOM 0 HD23 LEU A 27 64.865 4.287 2.452 1.00 0.00 H new ATOM 403 N SER A 28 63.757 7.575 2.371 1.00 0.00 N ATOM 404 CA SER A 28 62.372 7.485 2.839 1.00 0.00 C ATOM 405 C SER A 28 61.608 6.405 2.076 1.00 0.00 C ATOM 406 O SER A 28 61.152 6.627 0.964 1.00 0.00 O ATOM 407 CB SER A 28 61.670 8.830 2.659 1.00 0.00 C ATOM 408 OG SER A 28 60.326 8.723 3.113 1.00 0.00 O ATOM 0 H SER A 28 63.866 8.023 1.461 1.00 0.00 H new ATOM 0 HA SER A 28 62.388 7.220 3.896 1.00 0.00 H new ATOM 0 HB2 SER A 28 62.194 9.605 3.218 1.00 0.00 H new ATOM 0 HB3 SER A 28 61.689 9.126 1.610 1.00 0.00 H new ATOM 0 HG SER A 28 59.873 9.585 3.000 1.00 0.00 H new ATOM 414 N GLN A 29 61.456 5.245 2.701 1.00 0.00 N ATOM 415 CA GLN A 29 60.735 4.117 2.110 1.00 0.00 C ATOM 416 C GLN A 29 60.782 2.918 3.072 1.00 0.00 C ATOM 417 O GLN A 29 61.687 2.090 2.991 1.00 0.00 O ATOM 418 CB GLN A 29 61.357 3.712 0.763 1.00 0.00 C ATOM 419 CG GLN A 29 62.884 3.754 0.844 1.00 0.00 C ATOM 420 CD GLN A 29 63.478 3.067 -0.379 1.00 0.00 C ATOM 421 OE1 GLN A 29 64.406 2.264 -0.255 1.00 0.00 O ATOM 422 NE2 GLN A 29 62.993 3.331 -1.561 1.00 0.00 N ATOM 0 H GLN A 29 61.828 5.056 3.632 1.00 0.00 H new ATOM 0 HA GLN A 29 59.702 4.420 1.939 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.029 2.709 0.491 1.00 0.00 H new ATOM 0 HB3 GLN A 29 61.010 4.384 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 29 63.227 4.787 0.896 1.00 0.00 H new ATOM 0 HG3 GLN A 29 63.224 3.259 1.753 1.00 0.00 H new ATOM 0 HE21 GLN A 29 62.226 3.995 -1.661 1.00 0.00 H new ATOM 0 HE22 GLN A 29 63.381 2.873 -2.386 1.00 0.00 H new ATOM 431 N PRO A 30 59.841 2.801 3.982 1.00 0.00 N ATOM 432 CA PRO A 30 59.828 1.670 4.957 1.00 0.00 C ATOM 433 C PRO A 30 59.554 0.326 4.272 1.00 0.00 C ATOM 434 O PRO A 30 59.079 -0.620 4.899 1.00 0.00 O ATOM 435 CB PRO A 30 58.730 2.038 5.987 1.00 0.00 C ATOM 436 CG PRO A 30 58.166 3.380 5.575 1.00 0.00 C ATOM 437 CD PRO A 30 58.701 3.711 4.174 1.00 0.00 C ATOM 0 HA PRO A 30 60.798 1.540 5.437 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.947 1.280 6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 30 59.147 2.088 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 30 57.076 3.350 5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 30 58.460 4.151 6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.937 3.555 3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 30 59.011 4.754 4.105 1.00 0.00 H new ATOM 445 N GLU A 31 59.867 0.257 2.980 1.00 0.00 N ATOM 446 CA GLU A 31 59.666 -0.959 2.194 1.00 0.00 C ATOM 447 C GLU A 31 60.783 -1.103 1.163 1.00 0.00 C ATOM 448 O GLU A 31 61.545 -0.164 0.965 1.00 0.00 O ATOM 449 CB GLU A 31 58.316 -0.889 1.477 1.00 0.00 C ATOM 450 CG GLU A 31 58.284 0.338 0.562 1.00 0.00 C ATOM 451 CD GLU A 31 56.925 0.444 -0.122 1.00 0.00 C ATOM 452 OE1 GLU A 31 56.148 -0.489 0.005 1.00 0.00 O ATOM 453 OE2 GLU A 31 56.677 1.457 -0.755 1.00 0.00 O1- ATOM 0 H GLU A 31 60.264 1.034 2.452 1.00 0.00 H new ATOM 0 HA GLU A 31 59.681 -1.821 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.156 -1.795 0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 31 57.508 -0.833 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 31 58.479 1.240 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 31 59.072 0.264 -0.187 1.00 0.00 H new ATOM 496 N HIS A 35 66.803 -4.713 -4.598 1.00 0.00 N ATOM 497 CA HIS A 35 67.698 -3.569 -4.739 1.00 0.00 C ATOM 498 C HIS A 35 69.028 -4.060 -5.305 1.00 0.00 C ATOM 499 O HIS A 35 69.431 -5.192 -5.043 1.00 0.00 O ATOM 500 CB HIS A 35 67.911 -2.883 -3.365 1.00 0.00 C ATOM 501 CG HIS A 35 67.588 -3.857 -2.263 1.00 0.00 C ATOM 502 ND1 HIS A 35 66.776 -3.517 -1.194 1.00 0.00 N ATOM 503 CD2 HIS A 35 67.919 -5.175 -2.079 1.00 0.00 C ATOM 504 CE1 HIS A 35 66.638 -4.610 -0.424 1.00 0.00 C ATOM 505 NE2 HIS A 35 67.318 -5.650 -0.915 1.00 0.00 N ATOM 0 HA HIS A 35 67.261 -2.835 -5.416 1.00 0.00 H new ATOM 0 HB2 HIS A 35 68.942 -2.542 -3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 35 67.275 -2.002 -3.284 1.00 0.00 H new ATOM 0 HD2 HIS A 35 68.549 -5.756 -2.736 1.00 0.00 H new ATOM 0 HE1 HIS A 35 66.049 -4.643 0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 35 67.383 -6.589 -0.522 1.00 0.00 H new ATOM 513 N THR A 36 69.712 -3.212 -6.074 1.00 0.00 N ATOM 514 CA THR A 36 71.006 -3.592 -6.656 1.00 0.00 C ATOM 515 C THR A 36 72.129 -2.800 -5.999 1.00 0.00 C ATOM 516 O THR A 36 72.220 -1.586 -6.148 1.00 0.00 O ATOM 517 CB THR A 36 71.001 -3.337 -8.164 1.00 0.00 C ATOM 518 OG1 THR A 36 70.004 -4.150 -8.767 1.00 0.00 O ATOM 519 CG2 THR A 36 72.370 -3.690 -8.750 1.00 0.00 C ATOM 0 H THR A 36 69.400 -2.270 -6.308 1.00 0.00 H new ATOM 0 HA THR A 36 71.171 -4.655 -6.478 1.00 0.00 H new ATOM 0 HB THR A 36 70.788 -2.286 -8.358 1.00 0.00 H new ATOM 0 HG1 THR A 36 69.993 -3.991 -9.734 1.00 0.00 H new ATOM 0 HG21 THR A 36 72.364 -3.507 -9.825 1.00 0.00 H new ATOM 0 HG22 THR A 36 73.136 -3.073 -8.281 1.00 0.00 H new ATOM 0 HG23 THR A 36 72.586 -4.742 -8.562 1.00 0.00 H new ATOM 527 N TRP A 37 72.984 -3.514 -5.273 1.00 0.00 N ATOM 528 CA TRP A 37 74.117 -2.908 -4.572 1.00 0.00 C ATOM 529 C TRP A 37 75.421 -3.357 -5.231 1.00 0.00 C ATOM 530 O TRP A 37 75.872 -4.479 -5.012 1.00 0.00 O ATOM 531 CB TRP A 37 74.101 -3.366 -3.097 1.00 0.00 C ATOM 532 CG TRP A 37 73.317 -2.416 -2.245 1.00 0.00 C ATOM 533 CD1 TRP A 37 71.968 -2.369 -2.168 1.00 0.00 C ATOM 534 CD2 TRP A 37 73.818 -1.393 -1.335 1.00 0.00 C ATOM 535 NE1 TRP A 37 71.608 -1.382 -1.267 1.00 0.00 N ATOM 536 CE2 TRP A 37 72.713 -0.750 -0.730 1.00 0.00 C ATOM 537 CE3 TRP A 37 75.110 -0.964 -0.980 1.00 0.00 C ATOM 538 CZ2 TRP A 37 72.884 0.281 0.193 1.00 0.00 C ATOM 539 CZ3 TRP A 37 75.285 0.073 -0.051 1.00 0.00 C ATOM 540 CH2 TRP A 37 74.175 0.694 0.535 1.00 0.00 C ATOM 0 H TRP A 37 72.914 -4.524 -5.153 1.00 0.00 H new ATOM 0 HA TRP A 37 74.043 -1.822 -4.621 1.00 0.00 H new ATOM 0 HB2 TRP A 37 73.668 -4.364 -3.028 1.00 0.00 H new ATOM 0 HB3 TRP A 37 75.123 -3.436 -2.724 1.00 0.00 H new ATOM 0 HD1 TRP A 37 71.284 -2.998 -2.719 1.00 0.00 H new ATOM 0 HE1 TRP A 37 70.644 -1.149 -1.028 1.00 0.00 H new ATOM 0 HE3 TRP A 37 75.973 -1.436 -1.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 72.024 0.758 0.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 76.282 0.394 0.214 1.00 0.00 H new ATOM 0 HH2 TRP A 37 74.316 1.491 1.250 1.00 0.00 H new ATOM 551 N LEU A 38 76.024 -2.486 -6.044 1.00 0.00 N ATOM 552 CA LEU A 38 77.274 -2.834 -6.727 1.00 0.00 C ATOM 553 C LEU A 38 78.328 -1.745 -6.583 1.00 0.00 C ATOM 554 O LEU A 38 78.204 -0.657 -7.148 1.00 0.00 O ATOM 555 CB LEU A 38 77.003 -3.066 -8.215 1.00 0.00 C ATOM 556 CG LEU A 38 76.053 -4.258 -8.400 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.674 -4.368 -9.879 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.739 -5.567 -7.950 1.00 0.00 C ATOM 0 H LEU A 38 75.675 -1.549 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 38 77.656 -3.742 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.565 -2.171 -8.657 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.941 -3.254 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 38 75.161 -4.102 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.999 -5.212 -10.020 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.179 -3.451 -10.197 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.574 -4.520 -10.475 1.00 0.00 H new ATOM 0 HD21 LEU A 38 76.053 -6.403 -8.087 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.636 -5.732 -8.547 1.00 0.00 H new ATOM 0 HD23 LEU A 38 77.013 -5.491 -6.898 1.00 0.00 H new ATOM 570 N LEU A 39 79.393 -2.073 -5.858 1.00 0.00 N ATOM 571 CA LEU A 39 80.510 -1.162 -5.676 1.00 0.00 C ATOM 572 C LEU A 39 81.470 -1.543 -6.779 1.00 0.00 C ATOM 573 O LEU A 39 81.166 -1.346 -7.955 1.00 0.00 O ATOM 574 CB LEU A 39 81.143 -1.334 -4.265 1.00 0.00 C ATOM 575 CG LEU A 39 80.752 -2.687 -3.644 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.377 -3.836 -4.444 1.00 0.00 C ATOM 577 CD2 LEU A 39 81.254 -2.743 -2.194 1.00 0.00 C ATOM 0 H LEU A 39 79.503 -2.970 -5.385 1.00 0.00 H new ATOM 0 HA LEU A 39 80.220 -0.113 -5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 39 82.228 -1.264 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.815 -0.523 -3.614 1.00 0.00 H new ATOM 0 HG LEU A 39 79.667 -2.789 -3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 39 81.094 -4.788 -3.995 1.00 0.00 H new ATOM 0 HD12 LEU A 39 81.020 -3.799 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.463 -3.739 -4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.979 -3.700 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 39 82.339 -2.635 -2.180 1.00 0.00 H new ATOM 0 HD23 LEU A 39 80.801 -1.934 -1.621 1.00 0.00 H new ATOM 589 N ASP A 40 82.563 -2.191 -6.431 1.00 0.00 N ATOM 590 CA ASP A 40 83.441 -2.693 -7.443 1.00 0.00 C ATOM 591 C ASP A 40 82.593 -3.681 -8.239 1.00 0.00 C ATOM 592 O ASP A 40 81.496 -4.035 -7.806 1.00 0.00 O ATOM 593 CB ASP A 40 84.655 -3.390 -6.822 1.00 0.00 C ATOM 594 CG ASP A 40 85.715 -3.634 -7.885 1.00 0.00 C ATOM 595 OD1 ASP A 40 85.649 -2.993 -8.921 1.00 0.00 O ATOM 596 OD2 ASP A 40 86.581 -4.460 -7.646 1.00 0.00 O1- ATOM 0 H ASP A 40 82.853 -2.375 -5.471 1.00 0.00 H new ATOM 0 HA ASP A 40 83.840 -1.896 -8.070 1.00 0.00 H new ATOM 0 HB2 ASP A 40 85.066 -2.776 -6.021 1.00 0.00 H new ATOM 0 HB3 ASP A 40 84.352 -4.337 -6.375 1.00 0.00 H new ATOM 601 N ASP A 41 83.041 -4.071 -9.395 1.00 0.00 N ATOM 602 CA ASP A 41 82.248 -4.967 -10.228 1.00 0.00 C ATOM 603 C ASP A 41 82.101 -6.353 -9.587 1.00 0.00 C ATOM 604 O ASP A 41 82.119 -7.366 -10.284 1.00 0.00 O ATOM 605 CB ASP A 41 82.897 -5.105 -11.609 1.00 0.00 C ATOM 606 CG ASP A 41 81.902 -5.705 -12.603 1.00 0.00 C ATOM 607 OD1 ASP A 41 80.725 -5.752 -12.283 1.00 0.00 O ATOM 608 OD2 ASP A 41 82.331 -6.104 -13.674 1.00 0.00 O1- ATOM 0 H ASP A 41 83.939 -3.795 -9.792 1.00 0.00 H new ATOM 0 HA ASP A 41 81.253 -4.534 -10.328 1.00 0.00 H new ATOM 0 HB2 ASP A 41 83.230 -4.129 -11.961 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.781 -5.738 -11.541 1.00 0.00 H new ATOM 613 N GLU A 42 81.918 -6.390 -8.255 1.00 0.00 N ATOM 614 CA GLU A 42 81.724 -7.656 -7.534 1.00 0.00 C ATOM 615 C GLU A 42 80.525 -7.513 -6.593 1.00 0.00 C ATOM 616 O GLU A 42 80.418 -6.501 -5.898 1.00 0.00 O ATOM 617 CB GLU A 42 82.971 -8.012 -6.704 1.00 0.00 C ATOM 618 CG GLU A 42 84.100 -8.443 -7.647 1.00 0.00 C ATOM 619 CD GLU A 42 85.403 -8.577 -6.872 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.614 -9.623 -6.285 1.00 0.00 O1- ATOM 621 OE2 GLU A 42 86.172 -7.631 -6.882 1.00 0.00 O ATOM 0 H GLU A 42 81.901 -5.561 -7.661 1.00 0.00 H new ATOM 0 HA GLU A 42 81.550 -8.449 -8.261 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.285 -7.153 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.739 -8.815 -6.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 83.848 -9.393 -8.118 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.216 -7.711 -8.447 1.00 0.00 H new ATOM 628 N PRO A 43 79.623 -8.472 -6.527 1.00 0.00 N ATOM 629 CA PRO A 43 78.462 -8.343 -5.610 1.00 0.00 C ATOM 630 C PRO A 43 78.978 -8.074 -4.201 1.00 0.00 C ATOM 631 O PRO A 43 79.965 -8.676 -3.782 1.00 0.00 O ATOM 632 CB PRO A 43 77.720 -9.697 -5.691 1.00 0.00 C ATOM 633 CG PRO A 43 78.469 -10.563 -6.679 1.00 0.00 C ATOM 634 CD PRO A 43 79.609 -9.730 -7.292 1.00 0.00 C ATOM 0 HA PRO A 43 77.794 -7.523 -5.875 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.684 -10.174 -4.712 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.689 -9.551 -6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.870 -11.446 -6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 43 77.796 -10.916 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.564 -10.250 -7.212 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.435 -9.544 -8.352 1.00 0.00 H new ATOM 642 N VAL A 44 78.346 -7.154 -3.475 1.00 0.00 N ATOM 643 CA VAL A 44 78.824 -6.827 -2.132 1.00 0.00 C ATOM 644 C VAL A 44 78.127 -7.648 -1.051 1.00 0.00 C ATOM 645 O VAL A 44 77.130 -7.244 -0.458 1.00 0.00 O ATOM 646 CB VAL A 44 78.688 -5.324 -1.868 1.00 0.00 C ATOM 647 CG1 VAL A 44 77.256 -4.845 -2.082 1.00 0.00 C ATOM 648 CG2 VAL A 44 79.137 -5.008 -0.437 1.00 0.00 C ATOM 0 H VAL A 44 77.524 -6.634 -3.782 1.00 0.00 H new ATOM 0 HA VAL A 44 79.880 -7.093 -2.087 1.00 0.00 H new ATOM 0 HB VAL A 44 79.325 -4.797 -2.578 1.00 0.00 H new ATOM 0 HG11 VAL A 44 77.197 -3.774 -1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.956 -5.042 -3.111 1.00 0.00 H new ATOM 0 HG13 VAL A 44 76.589 -5.376 -1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 44 79.039 -3.938 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 44 78.514 -5.556 0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 44 80.178 -5.304 -0.308 1.00 0.00 H new ATOM 658 N ARG A 45 78.726 -8.794 -0.780 1.00 0.00 N ATOM 659 CA ARG A 45 78.273 -9.709 0.259 1.00 0.00 C ATOM 660 C ARG A 45 79.538 -10.316 0.838 1.00 0.00 C ATOM 661 O ARG A 45 80.059 -9.856 1.842 1.00 0.00 O ATOM 662 CB ARG A 45 77.351 -10.797 -0.328 1.00 0.00 C ATOM 663 CG ARG A 45 76.959 -11.837 0.745 1.00 0.00 C ATOM 664 CD ARG A 45 76.029 -11.203 1.792 1.00 0.00 C ATOM 665 NE ARG A 45 75.444 -12.236 2.644 1.00 0.00 N ATOM 666 CZ ARG A 45 74.771 -11.919 3.749 1.00 0.00 C ATOM 667 NH1 ARG A 45 74.601 -10.667 4.073 1.00 0.00 N1+ ATOM 668 NH2 ARG A 45 74.280 -12.859 4.508 1.00 0.00 N ATOM 0 H ARG A 45 79.552 -9.122 -1.281 1.00 0.00 H new ATOM 0 HA ARG A 45 77.687 -9.197 1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 45 76.452 -10.334 -0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.855 -11.297 -1.155 1.00 0.00 H new ATOM 0 HG2 ARG A 45 76.462 -12.685 0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 45 77.855 -12.223 1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 45 76.588 -10.493 2.402 1.00 0.00 H new ATOM 0 HD3 ARG A 45 75.238 -10.642 1.294 1.00 0.00 H new ATOM 0 HE ARG A 45 75.553 -13.217 2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 45 74.983 -9.930 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 45 74.086 -10.425 4.919 1.00 0.00 H new ATOM 0 HH21 ARG A 45 74.411 -13.839 4.256 1.00 0.00 H new ATOM 0 HH22 ARG A 45 73.765 -12.615 5.354 1.00 0.00 H new ATOM 682 N THR A 46 80.040 -11.325 0.150 1.00 0.00 N ATOM 683 CA THR A 46 81.285 -11.982 0.541 1.00 0.00 C ATOM 684 C THR A 46 81.209 -12.513 1.987 1.00 0.00 C ATOM 685 O THR A 46 80.338 -13.327 2.294 1.00 0.00 O ATOM 686 CB THR A 46 82.468 -10.997 0.340 1.00 0.00 C ATOM 687 OG1 THR A 46 82.702 -10.251 1.526 1.00 0.00 O ATOM 688 CG2 THR A 46 82.149 -10.022 -0.800 1.00 0.00 C ATOM 0 H THR A 46 79.606 -11.713 -0.688 1.00 0.00 H new ATOM 0 HA THR A 46 81.449 -12.852 -0.095 1.00 0.00 H new ATOM 0 HB THR A 46 83.357 -11.578 0.096 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.849 -9.920 1.878 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.984 -9.334 -0.935 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.987 -10.581 -1.722 1.00 0.00 H new ATOM 0 HG23 THR A 46 81.250 -9.457 -0.555 1.00 0.00 H new ATOM 696 N SER A 47 82.125 -12.082 2.868 1.00 0.00 N ATOM 697 CA SER A 47 82.139 -12.563 4.256 1.00 0.00 C ATOM 698 C SER A 47 82.428 -11.422 5.235 1.00 0.00 C ATOM 699 O SER A 47 81.979 -10.306 5.046 1.00 0.00 O ATOM 700 CB SER A 47 83.202 -13.649 4.402 1.00 0.00 C ATOM 701 OG SER A 47 83.079 -14.264 5.678 1.00 0.00 O ATOM 0 H SER A 47 82.858 -11.408 2.646 1.00 0.00 H new ATOM 0 HA SER A 47 81.155 -12.969 4.492 1.00 0.00 H new ATOM 0 HB2 SER A 47 83.087 -14.394 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 47 84.196 -13.217 4.289 1.00 0.00 H new ATOM 0 HG SER A 47 83.760 -14.962 5.772 1.00 0.00 H new ATOM 707 N GLU A 48 83.144 -11.718 6.308 1.00 0.00 N ATOM 708 CA GLU A 48 83.436 -10.700 7.321 1.00 0.00 C ATOM 709 C GLU A 48 84.173 -9.496 6.732 1.00 0.00 C ATOM 710 O GLU A 48 83.872 -8.352 7.071 1.00 0.00 O ATOM 711 CB GLU A 48 84.290 -11.311 8.427 1.00 0.00 C ATOM 712 CG GLU A 48 83.480 -12.379 9.157 1.00 0.00 C ATOM 713 CD GLU A 48 84.317 -12.996 10.273 1.00 0.00 C ATOM 714 OE1 GLU A 48 85.389 -12.476 10.539 1.00 0.00 O1- ATOM 715 OE2 GLU A 48 83.870 -13.972 10.852 1.00 0.00 O ATOM 0 H GLU A 48 83.532 -12.641 6.505 1.00 0.00 H new ATOM 0 HA GLU A 48 82.483 -10.351 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 48 85.194 -11.749 8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 48 84.608 -10.538 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 48 82.573 -11.939 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 48 83.167 -13.153 8.456 1.00 0.00 H new ATOM 722 N ASN A 49 85.158 -9.761 5.885 1.00 0.00 N ATOM 723 CA ASN A 49 85.958 -8.689 5.290 1.00 0.00 C ATOM 724 C ASN A 49 85.107 -7.744 4.436 1.00 0.00 C ATOM 725 O ASN A 49 85.624 -6.784 3.863 1.00 0.00 O ATOM 726 CB ASN A 49 87.060 -9.302 4.430 1.00 0.00 C ATOM 727 CG ASN A 49 88.086 -9.990 5.327 1.00 0.00 C ATOM 728 OD1 ASN A 49 88.136 -9.724 6.528 1.00 0.00 O ATOM 729 ND2 ASN A 49 88.906 -10.865 4.817 1.00 0.00 N ATOM 0 H ASN A 49 85.424 -10.701 5.593 1.00 0.00 H new ATOM 0 HA ASN A 49 86.389 -8.102 6.101 1.00 0.00 H new ATOM 0 HB2 ASN A 49 86.632 -10.021 3.731 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.544 -8.528 3.834 1.00 0.00 H new ATOM 0 HD21 ASN A 49 89.590 -11.331 5.413 1.00 0.00 H new ATOM 0 HD22 ASN A 49 88.863 -11.084 3.822 1.00 0.00 H new ATOM 736 N ALA A 50 83.806 -8.010 4.377 1.00 0.00 N ATOM 737 CA ALA A 50 82.878 -7.174 3.612 1.00 0.00 C ATOM 738 C ALA A 50 81.482 -7.772 3.703 1.00 0.00 C ATOM 739 O ALA A 50 81.317 -8.962 3.478 1.00 0.00 O ATOM 740 CB ALA A 50 83.311 -7.088 2.150 1.00 0.00 C ATOM 0 H ALA A 50 83.366 -8.799 4.850 1.00 0.00 H new ATOM 0 HA ALA A 50 82.879 -6.167 4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.609 -6.463 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 50 84.308 -6.652 2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 50 83.325 -8.087 1.715 1.00 0.00 H new ATOM 746 N GLU A 51 80.486 -6.942 4.012 1.00 0.00 N ATOM 747 CA GLU A 51 79.101 -7.413 4.126 1.00 0.00 C ATOM 748 C GLU A 51 78.177 -6.233 4.420 1.00 0.00 C ATOM 749 O GLU A 51 78.542 -5.338 5.186 1.00 0.00 O ATOM 750 CB GLU A 51 79.003 -8.433 5.267 1.00 0.00 C ATOM 751 CG GLU A 51 77.572 -8.969 5.393 1.00 0.00 C ATOM 752 CD GLU A 51 77.501 -9.964 6.545 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.452 -10.022 7.308 1.00 0.00 O ATOM 754 OE2 GLU A 51 76.498 -10.650 6.650 1.00 0.00 O1- ATOM 0 H GLU A 51 80.609 -5.945 4.188 1.00 0.00 H new ATOM 0 HA GLU A 51 78.801 -7.881 3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.691 -9.258 5.084 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.306 -7.967 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.878 -8.146 5.566 1.00 0.00 H new ATOM 0 HG3 GLU A 51 77.270 -9.451 4.463 1.00 0.00 H new ATOM 761 N VAL A 52 76.989 -6.206 3.804 1.00 0.00 N ATOM 762 CA VAL A 52 76.048 -5.104 4.008 1.00 0.00 C ATOM 763 C VAL A 52 75.106 -5.387 5.177 1.00 0.00 C ATOM 764 O VAL A 52 74.634 -6.509 5.362 1.00 0.00 O ATOM 765 CB VAL A 52 75.198 -4.886 2.736 1.00 0.00 C ATOM 766 CG1 VAL A 52 74.611 -3.471 2.740 1.00 0.00 C ATOM 767 CG2 VAL A 52 76.040 -5.079 1.464 1.00 0.00 C ATOM 0 H VAL A 52 76.660 -6.930 3.165 1.00 0.00 H new ATOM 0 HA VAL A 52 76.634 -4.212 4.229 1.00 0.00 H new ATOM 0 HB VAL A 52 74.396 -5.624 2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 52 74.013 -3.323 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.982 -3.341 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 52 75.420 -2.741 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 52 75.414 -4.919 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.862 -4.363 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.442 -6.092 1.444 1.00 0.00 H new ATOM 777 N VAL A 53 74.810 -4.336 5.932 1.00 0.00 N ATOM 778 CA VAL A 53 73.890 -4.413 7.065 1.00 0.00 C ATOM 779 C VAL A 53 72.971 -3.198 7.025 1.00 0.00 C ATOM 780 O VAL A 53 73.419 -2.096 6.727 1.00 0.00 O ATOM 781 CB VAL A 53 74.656 -4.438 8.391 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.399 -5.766 8.533 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.663 -3.291 8.425 1.00 0.00 C ATOM 0 H VAL A 53 75.200 -3.406 5.778 1.00 0.00 H new ATOM 0 HA VAL A 53 73.309 -5.333 6.994 1.00 0.00 H new ATOM 0 HB VAL A 53 73.949 -4.327 9.213 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.943 -5.780 9.478 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.683 -6.587 8.515 1.00 0.00 H new ATOM 0 HG13 VAL A 53 76.102 -5.879 7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 53 76.206 -3.312 9.370 1.00 0.00 H new ATOM 0 HG22 VAL A 53 76.366 -3.400 7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 53 75.136 -2.341 8.330 1.00 0.00 H new ATOM 793 N PHE A 54 71.687 -3.393 7.315 1.00 0.00 N ATOM 794 CA PHE A 54 70.734 -2.277 7.291 1.00 0.00 C ATOM 795 C PHE A 54 69.718 -2.421 8.424 1.00 0.00 C ATOM 796 O PHE A 54 69.246 -3.522 8.701 1.00 0.00 O ATOM 797 CB PHE A 54 70.024 -2.228 5.928 1.00 0.00 C ATOM 798 CG PHE A 54 68.937 -3.274 5.843 1.00 0.00 C ATOM 799 CD1 PHE A 54 67.687 -3.019 6.418 1.00 0.00 C ATOM 800 CD2 PHE A 54 69.168 -4.482 5.176 1.00 0.00 C ATOM 801 CE1 PHE A 54 66.670 -3.971 6.327 1.00 0.00 C ATOM 802 CE2 PHE A 54 68.149 -5.435 5.088 1.00 0.00 C ATOM 803 CZ PHE A 54 66.899 -5.179 5.662 1.00 0.00 C ATOM 0 H PHE A 54 71.283 -4.296 7.566 1.00 0.00 H new ATOM 0 HA PHE A 54 71.276 -1.343 7.437 1.00 0.00 H new ATOM 0 HB2 PHE A 54 69.594 -1.238 5.774 1.00 0.00 H new ATOM 0 HB3 PHE A 54 70.750 -2.388 5.130 1.00 0.00 H new ATOM 0 HD1 PHE A 54 67.509 -2.086 6.932 1.00 0.00 H new ATOM 0 HD2 PHE A 54 70.132 -4.678 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 54 65.705 -3.774 6.771 1.00 0.00 H new ATOM 0 HE2 PHE A 54 68.327 -6.369 4.577 1.00 0.00 H new ATOM 0 HZ PHE A 54 66.111 -5.914 5.591 1.00 0.00 H new ATOM 813 N PHE A 55 69.396 -1.304 9.085 1.00 0.00 N ATOM 814 CA PHE A 55 68.446 -1.325 10.199 1.00 0.00 C ATOM 815 C PHE A 55 67.427 -0.203 10.045 1.00 0.00 C ATOM 816 O PHE A 55 67.323 0.420 8.989 1.00 0.00 O ATOM 817 CB PHE A 55 69.192 -1.133 11.521 1.00 0.00 C ATOM 818 CG PHE A 55 70.423 -2.013 11.552 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.325 -3.360 11.922 1.00 0.00 C ATOM 820 CD2 PHE A 55 71.667 -1.471 11.211 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.472 -4.164 11.948 1.00 0.00 C ATOM 822 CE2 PHE A 55 72.811 -2.274 11.238 1.00 0.00 C ATOM 823 CZ PHE A 55 72.714 -3.618 11.605 1.00 0.00 C ATOM 0 H PHE A 55 69.776 -0.382 8.870 1.00 0.00 H new ATOM 0 HA PHE A 55 67.933 -2.287 10.197 1.00 0.00 H new ATOM 0 HB2 PHE A 55 69.479 -0.088 11.638 1.00 0.00 H new ATOM 0 HB3 PHE A 55 68.537 -1.379 12.357 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.366 -3.779 12.187 1.00 0.00 H new ATOM 0 HD2 PHE A 55 71.743 -0.432 10.927 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.398 -5.203 12.232 1.00 0.00 H new ATOM 0 HE2 PHE A 55 73.771 -1.855 10.975 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.599 -4.237 11.624 1.00 0.00 H new ATOM 833 N GLU A 56 66.676 0.046 11.112 1.00 0.00 N ATOM 834 CA GLU A 56 65.663 1.094 11.101 1.00 0.00 C ATOM 835 C GLU A 56 64.559 0.735 10.101 1.00 0.00 C ATOM 836 O GLU A 56 63.900 1.605 9.535 1.00 0.00 O ATOM 837 CB GLU A 56 66.312 2.436 10.748 1.00 0.00 C ATOM 838 CG GLU A 56 65.415 3.594 11.208 1.00 0.00 C ATOM 839 CD GLU A 56 66.047 4.929 10.830 1.00 0.00 C ATOM 840 OE1 GLU A 56 67.200 4.924 10.432 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 65.368 5.935 10.938 1.00 0.00 O ATOM 0 H GLU A 56 66.749 -0.462 11.993 1.00 0.00 H new ATOM 0 HA GLU A 56 65.213 1.181 12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 56 67.290 2.512 11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 56 66.475 2.498 9.672 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.430 3.506 10.749 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.269 3.545 12.287 1.00 0.00 H new ATOM 848 N ASN A 57 64.391 -0.569 9.900 1.00 0.00 N ATOM 849 CA ASN A 57 63.383 -1.102 8.979 1.00 0.00 C ATOM 850 C ASN A 57 63.632 -0.673 7.530 1.00 0.00 C ATOM 851 O ASN A 57 62.706 -0.283 6.820 1.00 0.00 O ATOM 852 CB ASN A 57 61.977 -0.669 9.406 1.00 0.00 C ATOM 853 CG ASN A 57 61.579 -1.378 10.694 1.00 0.00 C ATOM 854 OD1 ASN A 57 62.038 -2.488 10.961 1.00 0.00 O ATOM 855 ND2 ASN A 57 60.744 -0.802 11.514 1.00 0.00 N ATOM 0 H ASN A 57 64.946 -1.286 10.367 1.00 0.00 H new ATOM 0 HA ASN A 57 63.462 -2.188 9.025 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.950 0.411 9.553 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.261 -0.902 8.618 1.00 0.00 H new ATOM 0 HD21 ASN A 57 60.471 -1.272 12.377 1.00 0.00 H new ATOM 0 HD22 ASN A 57 60.364 0.118 11.292 1.00 0.00 H new ATOM 862 N GLY A 58 64.880 -0.783 7.086 1.00 0.00 N ATOM 863 CA GLY A 58 65.226 -0.443 5.706 1.00 0.00 C ATOM 864 C GLY A 58 65.342 1.062 5.487 1.00 0.00 C ATOM 865 O GLY A 58 65.511 1.513 4.356 1.00 0.00 O ATOM 0 H GLY A 58 65.664 -1.102 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.171 -0.919 5.444 1.00 0.00 H new ATOM 0 HA3 GLY A 58 64.468 -0.847 5.035 1.00 0.00 H new ATOM 869 N LEU A 59 65.253 1.841 6.560 1.00 0.00 N ATOM 870 CA LEU A 59 65.355 3.297 6.441 1.00 0.00 C ATOM 871 C LEU A 59 66.812 3.749 6.547 1.00 0.00 C ATOM 872 O LEU A 59 67.135 4.900 6.252 1.00 0.00 O ATOM 873 CB LEU A 59 64.542 3.967 7.543 1.00 0.00 C ATOM 874 CG LEU A 59 63.055 3.594 7.430 1.00 0.00 C ATOM 875 CD1 LEU A 59 62.286 4.255 8.582 1.00 0.00 C ATOM 876 CD2 LEU A 59 62.481 4.072 6.082 1.00 0.00 C ATOM 0 H LEU A 59 65.112 1.498 7.510 1.00 0.00 H new ATOM 0 HA LEU A 59 64.964 3.586 5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 59 64.924 3.664 8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 59 64.656 5.049 7.478 1.00 0.00 H new ATOM 0 HG LEU A 59 62.952 2.510 7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 59 61.230 3.996 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.682 3.902 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.399 5.337 8.521 1.00 0.00 H new ATOM 0 HD21 LEU A 59 61.427 3.800 6.018 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.581 5.155 6.007 1.00 0.00 H new ATOM 0 HD23 LEU A 59 63.028 3.600 5.266 1.00 0.00 H new ATOM 888 N ARG A 60 67.692 2.834 6.956 1.00 0.00 N ATOM 889 CA ARG A 60 69.124 3.143 7.083 1.00 0.00 C ATOM 890 C ARG A 60 69.939 2.079 6.361 1.00 0.00 C ATOM 891 O ARG A 60 69.617 0.902 6.436 1.00 0.00 O ATOM 892 CB ARG A 60 69.542 3.179 8.562 1.00 0.00 C ATOM 893 CG ARG A 60 70.909 3.858 8.691 1.00 0.00 C ATOM 894 CD ARG A 60 71.313 3.950 10.166 1.00 0.00 C ATOM 895 NE ARG A 60 71.541 2.621 10.725 1.00 0.00 N ATOM 896 CZ ARG A 60 71.839 2.460 12.011 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.132 3.062 12.927 1.00 0.00 N ATOM 898 NH2 ARG A 60 72.839 1.698 12.359 1.00 0.00 N1+ ATOM 0 H ARG A 60 67.444 1.876 7.205 1.00 0.00 H new ATOM 0 HA ARG A 60 69.308 4.122 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.799 3.720 9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.588 2.166 8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 60 71.658 3.294 8.135 1.00 0.00 H new ATOM 0 HG3 ARG A 60 70.871 4.855 8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 60 72.218 4.550 10.263 1.00 0.00 H new ATOM 0 HD3 ARG A 60 70.531 4.458 10.731 1.00 0.00 H new ATOM 0 HE ARG A 60 71.471 1.803 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 60 70.349 3.657 12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.362 2.937 13.913 1.00 0.00 H new ATOM 0 HH21 ARG A 60 73.393 1.225 11.645 1.00 0.00 H new ATOM 0 HH22 ARG A 60 73.067 1.575 13.345 1.00 0.00 H new ATOM 912 N HIS A 61 71.002 2.492 5.673 1.00 0.00 N ATOM 913 CA HIS A 61 71.866 1.546 4.951 1.00 0.00 C ATOM 914 C HIS A 61 73.323 1.768 5.330 1.00 0.00 C ATOM 915 O HIS A 61 73.943 2.749 4.925 1.00 0.00 O ATOM 916 CB HIS A 61 71.689 1.713 3.440 1.00 0.00 C ATOM 917 CG HIS A 61 70.369 1.119 3.023 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.183 1.832 3.082 1.00 0.00 N ATOM 919 CD2 HIS A 61 70.034 -0.127 2.550 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.199 1.018 2.658 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.664 -0.187 2.322 1.00 0.00 N ATOM 0 H HIS A 61 71.289 3.468 5.597 1.00 0.00 H new ATOM 0 HA HIS A 61 71.579 0.532 5.230 1.00 0.00 H new ATOM 0 HB2 HIS A 61 71.726 2.769 3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 61 72.505 1.222 2.910 1.00 0.00 H new ATOM 0 HD2 HIS A 61 70.729 -0.936 2.381 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.160 1.305 2.597 1.00 0.00 H new ATOM 0 HE2 HIS A 61 68.129 -0.982 1.973 1.00 0.00 H new ATOM 929 N LEU A 62 73.856 0.853 6.132 1.00 0.00 N ATOM 930 CA LEU A 62 75.235 0.939 6.609 1.00 0.00 C ATOM 931 C LEU A 62 76.041 -0.259 6.096 1.00 0.00 C ATOM 932 O LEU A 62 75.700 -1.405 6.369 1.00 0.00 O ATOM 933 CB LEU A 62 75.179 0.947 8.145 1.00 0.00 C ATOM 934 CG LEU A 62 76.514 1.402 8.770 1.00 0.00 C ATOM 935 CD1 LEU A 62 76.237 2.009 10.152 1.00 0.00 C ATOM 936 CD2 LEU A 62 77.471 0.211 8.934 1.00 0.00 C ATOM 0 H LEU A 62 73.349 0.034 6.469 1.00 0.00 H new ATOM 0 HA LEU A 62 75.725 1.841 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.380 1.610 8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.933 -0.052 8.504 1.00 0.00 H new ATOM 0 HG LEU A 62 76.976 2.138 8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 62 77.175 2.334 10.602 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.570 2.865 10.047 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.768 1.260 10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.406 0.554 9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 62 77.015 -0.536 9.584 1.00 0.00 H new ATOM 0 HD23 LEU A 62 77.672 -0.231 7.958 1.00 0.00 H new ATOM 948 N LEU A 63 77.104 0.022 5.337 1.00 0.00 N ATOM 949 CA LEU A 63 77.964 -1.028 4.761 1.00 0.00 C ATOM 950 C LEU A 63 79.353 -0.979 5.393 1.00 0.00 C ATOM 951 O LEU A 63 80.031 0.046 5.318 1.00 0.00 O ATOM 952 CB LEU A 63 78.046 -0.800 3.239 1.00 0.00 C ATOM 953 CG LEU A 63 79.241 -1.529 2.603 1.00 0.00 C ATOM 954 CD1 LEU A 63 79.209 -3.023 2.937 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.159 -1.354 1.086 1.00 0.00 C ATOM 0 H LEU A 63 77.395 0.971 5.103 1.00 0.00 H new ATOM 0 HA LEU A 63 77.545 -2.014 4.963 1.00 0.00 H new ATOM 0 HB2 LEU A 63 77.123 -1.144 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.126 0.268 3.038 1.00 0.00 H new ATOM 0 HG LEU A 63 80.167 -1.108 2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 63 80.064 -3.517 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 63 79.253 -3.155 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 63 78.287 -3.462 2.555 1.00 0.00 H new ATOM 0 HD21 LEU A 63 79.999 -1.864 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.224 -1.780 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.195 -0.293 0.840 1.00 0.00 H new ATOM 967 N LEU A 64 79.772 -2.078 6.036 1.00 0.00 N ATOM 968 CA LEU A 64 81.080 -2.128 6.700 1.00 0.00 C ATOM 969 C LEU A 64 81.999 -3.163 6.054 1.00 0.00 C ATOM 970 O LEU A 64 81.614 -4.314 5.842 1.00 0.00 O ATOM 971 CB LEU A 64 80.867 -2.476 8.181 1.00 0.00 C ATOM 972 CG LEU A 64 82.204 -2.716 8.905 1.00 0.00 C ATOM 973 CD1 LEU A 64 83.099 -1.477 8.814 1.00 0.00 C ATOM 974 CD2 LEU A 64 81.912 -3.002 10.379 1.00 0.00 C ATOM 0 H LEU A 64 79.228 -2.938 6.110 1.00 0.00 H new ATOM 0 HA LEU A 64 81.559 -1.154 6.601 1.00 0.00 H new ATOM 0 HB2 LEU A 64 80.327 -1.666 8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.245 -3.367 8.260 1.00 0.00 H new ATOM 0 HG LEU A 64 82.717 -3.556 8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 64 84.039 -1.668 9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 64 83.301 -1.250 7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 64 82.595 -0.629 9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 64 82.849 -3.175 10.909 1.00 0.00 H new ATOM 0 HD22 LEU A 64 81.398 -2.148 10.820 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.281 -3.887 10.460 1.00 0.00 H new ATOM 986 N LEU A 65 83.231 -2.741 5.779 1.00 0.00 N ATOM 987 CA LEU A 65 84.245 -3.622 5.196 1.00 0.00 C ATOM 988 C LEU A 65 85.594 -3.311 5.839 1.00 0.00 C ATOM 989 O LEU A 65 85.909 -2.151 6.107 1.00 0.00 O ATOM 990 CB LEU A 65 84.312 -3.462 3.670 1.00 0.00 C ATOM 991 CG LEU A 65 84.547 -1.998 3.272 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.864 -1.944 1.774 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.299 -1.135 3.564 1.00 0.00 C ATOM 0 H LEU A 65 83.554 -1.789 5.951 1.00 0.00 H new ATOM 0 HA LEU A 65 83.977 -4.660 5.395 1.00 0.00 H new ATOM 0 HB2 LEU A 65 85.115 -4.083 3.272 1.00 0.00 H new ATOM 0 HB3 LEU A 65 83.383 -3.818 3.224 1.00 0.00 H new ATOM 0 HG LEU A 65 85.378 -1.601 3.856 1.00 0.00 H new ATOM 0 HD11 LEU A 65 85.034 -0.910 1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 65 85.759 -2.532 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.025 -2.352 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 65 83.494 -0.103 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 65 82.451 -1.518 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.071 -1.174 4.629 1.00 0.00 H new ATOM 1005 N LYS A 66 86.354 -4.358 6.167 1.00 0.00 N ATOM 1006 CA LYS A 66 87.629 -4.203 6.876 1.00 0.00 C ATOM 1007 C LYS A 66 88.848 -4.336 5.952 1.00 0.00 C ATOM 1008 O LYS A 66 88.730 -4.317 4.728 1.00 0.00 O ATOM 1009 CB LYS A 66 87.700 -5.293 7.951 1.00 0.00 C ATOM 1010 CG LYS A 66 86.587 -5.087 8.982 1.00 0.00 C ATOM 1011 CD LYS A 66 86.607 -6.249 9.979 1.00 0.00 C ATOM 1012 CE LYS A 66 85.420 -6.134 10.933 1.00 0.00 C ATOM 1013 NZ LYS A 66 85.584 -4.927 11.789 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.109 -5.325 5.953 1.00 0.00 H new ATOM 0 HA LYS A 66 87.661 -3.200 7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 66 87.603 -6.276 7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 66 88.672 -5.267 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 66 86.729 -4.141 9.504 1.00 0.00 H new ATOM 0 HG3 LYS A 66 85.619 -5.035 8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 66 86.565 -7.199 9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 66 87.540 -6.241 10.542 1.00 0.00 H new ATOM 0 HE2 LYS A 66 84.491 -6.068 10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 66 85.352 -7.027 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 84.894 -4.957 12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.547 -4.908 12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 85.426 -4.072 11.218 1.00 0.00 H new ATOM 1027 N ASN A 67 90.014 -4.508 6.581 1.00 0.00 N ATOM 1028 CA ASN A 67 91.278 -4.689 5.862 1.00 0.00 C ATOM 1029 C ASN A 67 91.326 -3.844 4.592 1.00 0.00 C ATOM 1030 O ASN A 67 91.717 -4.334 3.533 1.00 0.00 O ATOM 1031 CB ASN A 67 91.456 -6.162 5.498 1.00 0.00 C ATOM 1032 CG ASN A 67 92.876 -6.406 5.001 1.00 0.00 C ATOM 1033 OD1 ASN A 67 93.842 -6.058 5.681 1.00 0.00 O ATOM 1034 ND2 ASN A 67 93.061 -6.983 3.842 1.00 0.00 N ATOM 0 H ASN A 67 90.108 -4.526 7.596 1.00 0.00 H new ATOM 0 HA ASN A 67 92.086 -4.364 6.518 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.253 -6.787 6.367 1.00 0.00 H new ATOM 0 HB3 ASN A 67 90.738 -6.445 4.728 1.00 0.00 H new ATOM 0 HD21 ASN A 67 94.008 -7.146 3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 67 92.259 -7.270 3.281 1.00 0.00 H new ATOM 1041 N LEU A 68 90.907 -2.593 4.688 1.00 0.00 N ATOM 1042 CA LEU A 68 90.891 -1.726 3.514 1.00 0.00 C ATOM 1043 C LEU A 68 92.291 -1.414 2.998 1.00 0.00 C ATOM 1044 O LEU A 68 93.040 -0.668 3.619 1.00 0.00 O ATOM 1045 CB LEU A 68 90.182 -0.419 3.854 1.00 0.00 C ATOM 1046 CG LEU A 68 88.682 -0.676 4.026 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.028 0.581 4.616 1.00 0.00 C ATOM 1048 CD2 LEU A 68 88.035 -1.024 2.661 1.00 0.00 C ATOM 0 H LEU A 68 90.578 -2.157 5.550 1.00 0.00 H new ATOM 0 HA LEU A 68 90.360 -2.261 2.726 1.00 0.00 H new ATOM 0 HB2 LEU A 68 90.596 0.003 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.347 0.312 3.063 1.00 0.00 H new ATOM 0 HG LEU A 68 88.532 -1.520 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 68 86.959 0.410 4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 68 88.477 0.805 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.183 1.423 3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 68 86.969 -1.204 2.799 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.176 -0.194 1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.504 -1.919 2.254 1.00 0.00 H new ATOM 1060 N ARG A 69 92.616 -1.968 1.831 1.00 0.00 N ATOM 1061 CA ARG A 69 93.918 -1.733 1.194 1.00 0.00 C ATOM 1062 C ARG A 69 93.746 -0.672 0.099 1.00 0.00 C ATOM 1063 O ARG A 69 92.639 -0.176 -0.107 1.00 0.00 O ATOM 1064 CB ARG A 69 94.456 -3.057 0.590 1.00 0.00 C ATOM 1065 CG ARG A 69 93.755 -4.260 1.241 1.00 0.00 C ATOM 1066 CD ARG A 69 94.352 -5.571 0.709 1.00 0.00 C ATOM 1067 NE ARG A 69 93.374 -6.650 0.808 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.724 -7.916 0.600 1.00 0.00 C ATOM 1069 NH1 ARG A 69 94.955 -8.295 0.806 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 92.835 -8.779 0.189 1.00 0.00 N ATOM 0 H ARG A 69 91.997 -2.584 1.304 1.00 0.00 H new ATOM 0 HA ARG A 69 94.637 -1.378 1.932 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.289 -3.068 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.533 -3.126 0.746 1.00 0.00 H new ATOM 0 HG2 ARG A 69 93.867 -4.214 2.324 1.00 0.00 H new ATOM 0 HG3 ARG A 69 92.686 -4.226 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.659 -5.444 -0.329 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.246 -5.828 1.277 1.00 0.00 H new ATOM 0 HE ARG A 69 92.406 -6.429 1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 69 95.649 -7.620 1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 69 95.223 -9.266 0.646 1.00 0.00 H new ATOM 0 HH21 ARG A 69 91.873 -8.482 0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 69 93.103 -9.750 0.029 1.00 0.00 H new ATOM 1084 N PRO A 70 94.789 -0.317 -0.614 1.00 0.00 N ATOM 1085 CA PRO A 70 94.675 0.694 -1.696 1.00 0.00 C ATOM 1086 C PRO A 70 93.863 0.126 -2.859 1.00 0.00 C ATOM 1087 O PRO A 70 93.151 0.849 -3.559 1.00 0.00 O ATOM 1088 CB PRO A 70 96.136 1.028 -2.093 1.00 0.00 C ATOM 1089 CG PRO A 70 97.033 0.200 -1.197 1.00 0.00 C ATOM 1090 CD PRO A 70 96.154 -0.843 -0.487 1.00 0.00 C ATOM 0 HA PRO A 70 94.149 1.597 -1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.315 0.793 -3.142 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.338 2.092 -1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 70 97.810 -0.291 -1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.536 0.835 -0.468 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.247 -1.824 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.440 -0.958 0.559 1.00 0.00 H new ATOM 1098 N GLN A 71 93.993 -1.181 -3.049 1.00 0.00 N ATOM 1099 CA GLN A 71 93.287 -1.868 -4.121 1.00 0.00 C ATOM 1100 C GLN A 71 91.787 -1.648 -3.989 1.00 0.00 C ATOM 1101 O GLN A 71 91.134 -1.192 -4.928 1.00 0.00 O ATOM 1102 CB GLN A 71 93.596 -3.370 -4.061 1.00 0.00 C ATOM 1103 CG GLN A 71 92.866 -4.115 -5.188 1.00 0.00 C ATOM 1104 CD GLN A 71 93.333 -3.599 -6.546 1.00 0.00 C ATOM 1105 OE1 GLN A 71 92.851 -2.568 -7.017 1.00 0.00 O ATOM 1106 NE2 GLN A 71 94.253 -4.255 -7.201 1.00 0.00 N ATOM 0 H GLN A 71 94.581 -1.785 -2.475 1.00 0.00 H new ATOM 0 HA GLN A 71 93.619 -1.466 -5.078 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.671 -3.530 -4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.291 -3.772 -3.095 1.00 0.00 H new ATOM 0 HG2 GLN A 71 93.058 -5.185 -5.111 1.00 0.00 H new ATOM 0 HG3 GLN A 71 91.789 -3.977 -5.088 1.00 0.00 H new ATOM 0 HE21 GLN A 71 94.649 -5.108 -6.807 1.00 0.00 H new ATOM 0 HE22 GLN A 71 94.575 -3.914 -8.107 1.00 0.00 H new ATOM 1115 N ASP A 72 91.234 -2.011 -2.836 1.00 0.00 N ATOM 1116 CA ASP A 72 89.800 -1.890 -2.612 1.00 0.00 C ATOM 1117 C ASP A 72 89.254 -0.537 -3.052 1.00 0.00 C ATOM 1118 O ASP A 72 88.160 -0.476 -3.614 1.00 0.00 O ATOM 1119 CB ASP A 72 89.503 -2.099 -1.128 1.00 0.00 C ATOM 1120 CG ASP A 72 89.785 -3.546 -0.740 1.00 0.00 C ATOM 1121 OD1 ASP A 72 89.763 -4.390 -1.621 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 90.016 -3.789 0.433 1.00 0.00 O ATOM 0 H ASP A 72 91.756 -2.390 -2.046 1.00 0.00 H new ATOM 0 HA ASP A 72 89.307 -2.652 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 72 90.116 -1.427 -0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 72 88.462 -1.854 -0.919 1.00 0.00 H new ATOM 1127 N SER A 73 89.980 0.551 -2.798 1.00 0.00 N ATOM 1128 CA SER A 73 89.496 1.873 -3.187 1.00 0.00 C ATOM 1129 C SER A 73 88.869 1.846 -4.574 1.00 0.00 C ATOM 1130 O SER A 73 89.533 1.537 -5.566 1.00 0.00 O ATOM 1131 CB SER A 73 90.662 2.869 -3.178 1.00 0.00 C ATOM 1132 OG SER A 73 91.287 2.866 -4.454 1.00 0.00 O ATOM 0 H SER A 73 90.888 0.545 -2.334 1.00 0.00 H new ATOM 0 HA SER A 73 88.734 2.180 -2.471 1.00 0.00 H new ATOM 0 HB2 SER A 73 90.300 3.869 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.382 2.598 -2.406 1.00 0.00 H new ATOM 0 HG SER A 73 90.989 2.083 -4.963 1.00 0.00 H new ATOM 1138 N CYS A 74 87.579 2.159 -4.633 1.00 0.00 N ATOM 1139 CA CYS A 74 86.868 2.154 -5.906 1.00 0.00 C ATOM 1140 C CYS A 74 85.582 2.979 -5.839 1.00 0.00 C ATOM 1141 O CYS A 74 85.522 4.013 -5.172 1.00 0.00 O ATOM 1142 CB CYS A 74 86.536 0.714 -6.306 1.00 0.00 C ATOM 1143 SG CYS A 74 86.273 0.630 -8.097 1.00 0.00 S ATOM 0 H CYS A 74 87.011 2.416 -3.826 1.00 0.00 H new ATOM 0 HA CYS A 74 87.518 2.608 -6.654 1.00 0.00 H new ATOM 0 HB2 CYS A 74 87.348 0.048 -6.015 1.00 0.00 H new ATOM 0 HB3 CYS A 74 85.643 0.376 -5.780 1.00 0.00 H new ATOM 0 HG CYS A 74 85.019 0.391 -8.341 1.00 0.00 H new ATOM 1149 N ARG A 75 84.565 2.514 -6.565 1.00 0.00 N ATOM 1150 CA ARG A 75 83.268 3.197 -6.636 1.00 0.00 C ATOM 1151 C ARG A 75 82.195 2.468 -5.825 1.00 0.00 C ATOM 1152 O ARG A 75 82.061 1.250 -5.913 1.00 0.00 O ATOM 1153 CB ARG A 75 82.817 3.248 -8.112 1.00 0.00 C ATOM 1154 CG ARG A 75 83.276 4.542 -8.804 1.00 0.00 C ATOM 1155 CD ARG A 75 84.731 4.877 -8.452 1.00 0.00 C ATOM 1156 NE ARG A 75 85.327 5.670 -9.519 1.00 0.00 N ATOM 1157 CZ ARG A 75 86.633 5.892 -9.557 1.00 0.00 C ATOM 1158 NH1 ARG A 75 87.391 5.478 -8.579 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 87.158 6.522 -10.570 1.00 0.00 N ATOM 0 H ARG A 75 84.614 1.659 -7.118 1.00 0.00 H new ATOM 0 HA ARG A 75 83.389 4.197 -6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 75 83.221 2.387 -8.646 1.00 0.00 H new ATOM 0 HB3 ARG A 75 81.731 3.174 -8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 75 83.177 4.434 -9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 75 82.628 5.366 -8.505 1.00 0.00 H new ATOM 0 HD2 ARG A 75 84.770 5.428 -7.512 1.00 0.00 H new ATOM 0 HD3 ARG A 75 85.300 3.959 -8.307 1.00 0.00 H new ATOM 0 HE ARG A 75 84.730 6.060 -10.248 1.00 0.00 H new ATOM 0 HH11 ARG A 75 86.978 4.985 -7.787 1.00 0.00 H new ATOM 0 HH12 ARG A 75 88.396 5.648 -8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 75 86.564 6.844 -11.334 1.00 0.00 H new ATOM 0 HH22 ARG A 75 88.163 6.693 -10.599 1.00 0.00 H new ATOM 1173 N VAL A 76 81.407 3.238 -5.070 1.00 0.00 N ATOM 1174 CA VAL A 76 80.306 2.677 -4.284 1.00 0.00 C ATOM 1175 C VAL A 76 78.993 3.212 -4.836 1.00 0.00 C ATOM 1176 O VAL A 76 78.804 4.426 -4.919 1.00 0.00 O ATOM 1177 CB VAL A 76 80.439 3.081 -2.813 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.335 2.403 -1.995 1.00 0.00 C ATOM 1179 CG2 VAL A 76 81.806 2.640 -2.287 1.00 0.00 C ATOM 0 H VAL A 76 81.511 4.249 -4.987 1.00 0.00 H new ATOM 0 HA VAL A 76 80.332 1.589 -4.351 1.00 0.00 H new ATOM 0 HB VAL A 76 80.345 4.163 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.429 2.690 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.360 2.715 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.429 1.321 -2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 76 81.903 2.927 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 76 81.899 1.558 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.592 3.121 -2.869 1.00 0.00 H new ATOM 1189 N THR A 77 78.083 2.316 -5.222 1.00 0.00 N ATOM 1190 CA THR A 77 76.793 2.741 -5.773 1.00 0.00 C ATOM 1191 C THR A 77 75.643 1.915 -5.200 1.00 0.00 C ATOM 1192 O THR A 77 75.702 0.685 -5.151 1.00 0.00 O ATOM 1193 CB THR A 77 76.816 2.618 -7.300 1.00 0.00 C ATOM 1194 OG1 THR A 77 76.905 1.249 -7.667 1.00 0.00 O ATOM 1195 CG2 THR A 77 78.024 3.376 -7.856 1.00 0.00 C ATOM 0 H THR A 77 78.211 1.306 -5.165 1.00 0.00 H new ATOM 0 HA THR A 77 76.631 3.782 -5.492 1.00 0.00 H new ATOM 0 HB THR A 77 75.900 3.043 -7.710 1.00 0.00 H new ATOM 0 HG1 THR A 77 77.612 0.816 -7.145 1.00 0.00 H new ATOM 0 HG21 THR A 77 78.040 3.288 -8.942 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.953 4.428 -7.578 1.00 0.00 H new ATOM 0 HG23 THR A 77 78.940 2.953 -7.444 1.00 0.00 H new ATOM 1203 N PHE A 78 74.591 2.618 -4.780 1.00 0.00 N ATOM 1204 CA PHE A 78 73.393 1.992 -4.211 1.00 0.00 C ATOM 1205 C PHE A 78 72.178 2.418 -5.031 1.00 0.00 C ATOM 1206 O PHE A 78 71.856 3.602 -5.101 1.00 0.00 O ATOM 1207 CB PHE A 78 73.256 2.431 -2.742 1.00 0.00 C ATOM 1208 CG PHE A 78 71.853 2.190 -2.212 1.00 0.00 C ATOM 1209 CD1 PHE A 78 71.192 0.977 -2.457 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.222 3.186 -1.452 1.00 0.00 C ATOM 1211 CE1 PHE A 78 69.906 0.765 -1.945 1.00 0.00 C ATOM 1212 CE2 PHE A 78 69.939 2.971 -0.940 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.281 1.763 -1.186 1.00 0.00 C ATOM 0 H PHE A 78 74.543 3.636 -4.824 1.00 0.00 H new ATOM 0 HA PHE A 78 73.468 0.905 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 78 73.975 1.885 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.501 3.489 -2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 78 71.675 0.207 -3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.728 4.121 -1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 78 69.396 -0.168 -2.135 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.456 3.739 -0.354 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.290 1.599 -0.791 1.00 0.00 H new ATOM 1223 N LEU A 79 71.528 1.452 -5.688 1.00 0.00 N ATOM 1224 CA LEU A 79 70.373 1.753 -6.548 1.00 0.00 C ATOM 1225 C LEU A 79 69.091 1.082 -6.067 1.00 0.00 C ATOM 1226 O LEU A 79 68.781 -0.043 -6.459 1.00 0.00 O ATOM 1227 CB LEU A 79 70.684 1.271 -7.971 1.00 0.00 C ATOM 1228 CG LEU A 79 69.725 1.909 -9.003 1.00 0.00 C ATOM 1229 CD1 LEU A 79 70.323 1.752 -10.406 1.00 0.00 C ATOM 1230 CD2 LEU A 79 68.341 1.228 -8.964 1.00 0.00 C ATOM 0 H LEU A 79 71.777 0.464 -5.644 1.00 0.00 H new ATOM 0 HA LEU A 79 70.208 2.830 -6.517 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.714 1.522 -8.225 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.600 0.185 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 79 69.600 2.964 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 79 69.652 2.200 -11.140 1.00 0.00 H new ATOM 0 HD12 LEU A 79 71.291 2.252 -10.447 1.00 0.00 H new ATOM 0 HD13 LEU A 79 70.451 0.693 -10.630 1.00 0.00 H new ATOM 0 HD21 LEU A 79 67.685 1.695 -9.699 1.00 0.00 H new ATOM 0 HD22 LEU A 79 68.450 0.169 -9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 79 67.909 1.339 -7.970 1.00 0.00 H new ATOM 1242 N ALA A 80 68.326 1.805 -5.253 1.00 0.00 N ATOM 1243 CA ALA A 80 67.042 1.314 -4.754 1.00 0.00 C ATOM 1244 C ALA A 80 65.926 2.035 -5.512 1.00 0.00 C ATOM 1245 O ALA A 80 65.541 3.146 -5.154 1.00 0.00 O ATOM 1246 CB ALA A 80 66.930 1.582 -3.242 1.00 0.00 C ATOM 0 H ALA A 80 68.574 2.738 -4.923 1.00 0.00 H new ATOM 0 HA ALA A 80 66.959 0.239 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 80 65.971 1.214 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 80 67.738 1.069 -2.721 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.001 2.654 -3.056 1.00 0.00 H new ATOM 1252 N GLY A 81 65.422 1.405 -6.566 1.00 0.00 N ATOM 1253 CA GLY A 81 64.366 2.017 -7.365 1.00 0.00 C ATOM 1254 C GLY A 81 64.850 3.338 -7.966 1.00 0.00 C ATOM 1255 O GLY A 81 66.052 3.545 -8.146 1.00 0.00 O ATOM 0 H GLY A 81 65.722 0.484 -6.885 1.00 0.00 H new ATOM 0 HA2 GLY A 81 64.063 1.337 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.487 2.193 -6.745 1.00 0.00 H new ATOM 1259 N ASP A 82 63.910 4.224 -8.291 1.00 0.00 N ATOM 1260 CA ASP A 82 64.240 5.519 -8.890 1.00 0.00 C ATOM 1261 C ASP A 82 65.251 6.315 -8.055 1.00 0.00 C ATOM 1262 O ASP A 82 65.581 7.450 -8.401 1.00 0.00 O ATOM 1263 CB ASP A 82 62.960 6.345 -9.038 1.00 0.00 C ATOM 1264 CG ASP A 82 63.233 7.591 -9.875 1.00 0.00 C ATOM 1265 OD1 ASP A 82 63.813 7.452 -10.939 1.00 0.00 O ATOM 1266 OD2 ASP A 82 62.861 8.668 -9.437 1.00 0.00 O1- ATOM 0 H ASP A 82 62.912 4.070 -8.150 1.00 0.00 H new ATOM 0 HA ASP A 82 64.696 5.322 -9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.183 5.744 -9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 82 62.588 6.632 -8.055 1.00 0.00 H new ATOM 1271 N MET A 83 65.741 5.726 -6.964 1.00 0.00 N ATOM 1272 CA MET A 83 66.717 6.413 -6.104 1.00 0.00 C ATOM 1273 C MET A 83 68.120 5.840 -6.279 1.00 0.00 C ATOM 1274 O MET A 83 68.335 4.644 -6.098 1.00 0.00 O ATOM 1275 CB MET A 83 66.314 6.291 -4.630 1.00 0.00 C ATOM 1276 CG MET A 83 65.000 7.047 -4.378 1.00 0.00 C ATOM 1277 SD MET A 83 64.832 7.441 -2.613 1.00 0.00 S ATOM 1278 CE MET A 83 64.690 5.760 -1.958 1.00 0.00 C ATOM 0 H MET A 83 65.486 4.788 -6.654 1.00 0.00 H new ATOM 0 HA MET A 83 66.725 7.461 -6.402 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.195 5.241 -4.363 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.102 6.694 -3.995 1.00 0.00 H new ATOM 0 HG2 MET A 83 64.981 7.964 -4.966 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.155 6.441 -4.705 1.00 0.00 H new ATOM 0 HE1 MET A 83 63.929 5.736 -1.178 1.00 0.00 H new ATOM 0 HE2 MET A 83 64.408 5.079 -2.761 1.00 0.00 H new ATOM 0 HE3 MET A 83 65.648 5.450 -1.539 1.00 0.00 H new ATOM 1288 N VAL A 84 69.081 6.702 -6.624 1.00 0.00 N ATOM 1289 CA VAL A 84 70.469 6.270 -6.808 1.00 0.00 C ATOM 1290 C VAL A 84 71.425 7.267 -6.150 1.00 0.00 C ATOM 1291 O VAL A 84 71.246 8.481 -6.251 1.00 0.00 O ATOM 1292 CB VAL A 84 70.787 6.143 -8.302 1.00 0.00 C ATOM 1293 CG1 VAL A 84 70.383 7.424 -9.034 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.289 5.899 -8.490 1.00 0.00 C ATOM 0 H VAL A 84 68.924 7.698 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 84 70.599 5.296 -6.335 1.00 0.00 H new ATOM 0 HB VAL A 84 70.227 5.304 -8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 84 70.613 7.325 -10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.314 7.593 -8.908 1.00 0.00 H new ATOM 0 HG13 VAL A 84 70.935 8.269 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 84 72.513 5.809 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 84 72.849 6.735 -8.071 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.575 4.979 -7.980 1.00 0.00 H new ATOM 1304 N THR A 85 72.446 6.729 -5.483 1.00 0.00 N ATOM 1305 CA THR A 85 73.460 7.539 -4.801 1.00 0.00 C ATOM 1306 C THR A 85 74.844 7.001 -5.176 1.00 0.00 C ATOM 1307 O THR A 85 74.988 5.813 -5.461 1.00 0.00 O ATOM 1308 CB THR A 85 73.252 7.454 -3.277 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.885 6.285 -2.789 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.752 7.384 -2.954 1.00 0.00 C ATOM 0 H THR A 85 72.595 5.723 -5.399 1.00 0.00 H new ATOM 0 HA THR A 85 73.376 8.582 -5.105 1.00 0.00 H new ATOM 0 HB THR A 85 73.680 8.339 -2.806 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.405 5.958 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.615 7.324 -1.874 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.256 8.277 -3.334 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.319 6.501 -3.424 1.00 0.00 H new ATOM 1318 N SER A 86 75.862 7.862 -5.192 1.00 0.00 N ATOM 1319 CA SER A 86 77.212 7.412 -5.553 1.00 0.00 C ATOM 1320 C SER A 86 78.284 8.335 -4.977 1.00 0.00 C ATOM 1321 O SER A 86 78.163 9.558 -5.047 1.00 0.00 O ATOM 1322 CB SER A 86 77.347 7.371 -7.077 1.00 0.00 C ATOM 1323 OG SER A 86 76.497 6.354 -7.598 1.00 0.00 O ATOM 0 H SER A 86 75.785 8.853 -4.965 1.00 0.00 H new ATOM 0 HA SER A 86 77.358 6.417 -5.133 1.00 0.00 H new ATOM 0 HB2 SER A 86 77.080 8.338 -7.503 1.00 0.00 H new ATOM 0 HB3 SER A 86 78.382 7.174 -7.357 1.00 0.00 H new ATOM 0 HG SER A 86 76.136 5.820 -6.860 1.00 0.00 H new ATOM 1329 N ALA A 87 79.334 7.742 -4.401 1.00 0.00 N ATOM 1330 CA ALA A 87 80.419 8.525 -3.806 1.00 0.00 C ATOM 1331 C ALA A 87 81.759 7.817 -3.971 1.00 0.00 C ATOM 1332 O ALA A 87 81.816 6.602 -4.166 1.00 0.00 O ATOM 1333 CB ALA A 87 80.143 8.754 -2.323 1.00 0.00 C ATOM 0 H ALA A 87 79.455 6.731 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 87 80.467 9.484 -4.322 1.00 0.00 H new ATOM 0 HB1 ALA A 87 80.955 9.337 -1.888 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.204 9.296 -2.207 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.073 7.793 -1.813 1.00 0.00 H new ATOM 1339 N PHE A 88 82.832 8.599 -3.911 1.00 0.00 N ATOM 1340 CA PHE A 88 84.179 8.068 -4.075 1.00 0.00 C ATOM 1341 C PHE A 88 84.681 7.396 -2.802 1.00 0.00 C ATOM 1342 O PHE A 88 84.178 7.639 -1.702 1.00 0.00 O ATOM 1343 CB PHE A 88 85.137 9.197 -4.449 1.00 0.00 C ATOM 1344 CG PHE A 88 84.634 9.886 -5.693 1.00 0.00 C ATOM 1345 CD1 PHE A 88 84.995 9.402 -6.957 1.00 0.00 C ATOM 1346 CD2 PHE A 88 83.807 11.008 -5.583 1.00 0.00 C ATOM 1347 CE1 PHE A 88 84.527 10.042 -8.110 1.00 0.00 C ATOM 1348 CE2 PHE A 88 83.340 11.649 -6.735 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.700 11.166 -7.999 1.00 0.00 C ATOM 0 H PHE A 88 82.794 9.605 -3.750 1.00 0.00 H new ATOM 0 HA PHE A 88 84.143 7.320 -4.867 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.213 9.911 -3.629 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.137 8.799 -4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 88 85.634 8.535 -7.042 1.00 0.00 H new ATOM 0 HD2 PHE A 88 83.529 11.380 -4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 88 84.804 9.669 -9.085 1.00 0.00 H new ATOM 0 HE2 PHE A 88 82.702 12.516 -6.650 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.339 11.661 -8.889 1.00 0.00 H new ATOM 1359 N LEU A 89 85.714 6.576 -2.975 1.00 0.00 N ATOM 1360 CA LEU A 89 86.360 5.871 -1.870 1.00 0.00 C ATOM 1361 C LEU A 89 87.857 6.119 -1.960 1.00 0.00 C ATOM 1362 O LEU A 89 88.419 6.143 -3.055 1.00 0.00 O ATOM 1363 CB LEU A 89 86.056 4.373 -1.949 1.00 0.00 C ATOM 1364 CG LEU A 89 86.783 3.605 -0.830 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.364 4.131 0.550 1.00 0.00 C ATOM 1366 CD2 LEU A 89 86.418 2.122 -0.936 1.00 0.00 C ATOM 0 H LEU A 89 86.128 6.381 -3.887 1.00 0.00 H new ATOM 0 HA LEU A 89 85.981 6.238 -0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 89 84.981 4.211 -1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.364 3.986 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 89 87.858 3.744 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 89 86.889 3.575 1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 89 86.616 5.189 0.628 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.289 4.004 0.677 1.00 0.00 H new ATOM 0 HD21 LEU A 89 86.926 1.565 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 89 85.340 2.004 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 89 86.728 1.740 -1.909 1.00 0.00 H new ATOM 1378 N THR A 90 88.505 6.321 -0.817 1.00 0.00 N ATOM 1379 CA THR A 90 89.945 6.586 -0.807 1.00 0.00 C ATOM 1380 C THR A 90 90.635 5.828 0.311 1.00 0.00 C ATOM 1381 O THR A 90 90.290 5.977 1.483 1.00 0.00 O ATOM 1382 CB THR A 90 90.196 8.085 -0.628 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.576 8.529 0.570 1.00 0.00 O ATOM 1384 CG2 THR A 90 89.620 8.853 -1.817 1.00 0.00 C ATOM 0 H THR A 90 88.066 6.307 0.104 1.00 0.00 H new ATOM 0 HA THR A 90 90.355 6.250 -1.760 1.00 0.00 H new ATOM 0 HB THR A 90 91.269 8.265 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 90 88.620 8.316 0.542 1.00 0.00 H new ATOM 0 HG21 THR A 90 89.802 9.919 -1.684 1.00 0.00 H new ATOM 0 HG22 THR A 90 90.100 8.515 -2.735 1.00 0.00 H new ATOM 0 HG23 THR A 90 88.547 8.673 -1.881 1.00 0.00 H new ATOM 1392 N VAL A 91 91.636 5.036 -0.058 1.00 0.00 N ATOM 1393 CA VAL A 91 92.408 4.274 0.921 1.00 0.00 C ATOM 1394 C VAL A 91 93.892 4.349 0.578 1.00 0.00 C ATOM 1395 O VAL A 91 94.296 4.004 -0.532 1.00 0.00 O ATOM 1396 CB VAL A 91 91.954 2.816 0.913 1.00 0.00 C ATOM 1397 CG1 VAL A 91 92.757 2.031 1.952 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.462 2.747 1.252 1.00 0.00 C ATOM 0 H VAL A 91 91.932 4.904 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 91 92.246 4.697 1.912 1.00 0.00 H new ATOM 0 HB VAL A 91 92.120 2.384 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.436 0.989 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 91 93.818 2.084 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.590 2.459 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.135 1.707 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.293 3.176 2.240 1.00 0.00 H new ATOM 0 HG23 VAL A 91 89.894 3.309 0.511 1.00 0.00 H new ATOM 1408 N ARG A 92 94.702 4.823 1.528 1.00 0.00 N ATOM 1409 CA ARG A 92 96.146 4.965 1.311 1.00 0.00 C ATOM 1410 C ARG A 92 96.922 3.865 2.026 1.00 0.00 C ATOM 1411 O ARG A 92 96.586 3.484 3.146 1.00 0.00 O ATOM 1412 CB ARG A 92 96.606 6.329 1.834 1.00 0.00 C ATOM 1413 CG ARG A 92 98.088 6.539 1.513 1.00 0.00 C ATOM 1414 CD ARG A 92 98.538 7.896 2.055 1.00 0.00 C ATOM 1415 NE ARG A 92 98.524 7.887 3.515 1.00 0.00 N ATOM 1416 CZ ARG A 92 99.562 7.427 4.208 1.00 0.00 C ATOM 1417 NH1 ARG A 92 100.594 6.935 3.582 1.00 0.00 N1+ ATOM 1418 NH2 ARG A 92 99.547 7.464 5.512 1.00 0.00 N ATOM 0 H ARG A 92 94.385 5.114 2.453 1.00 0.00 H new ATOM 0 HA ARG A 92 96.341 4.884 0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.011 7.121 1.380 1.00 0.00 H new ATOM 0 HB3 ARG A 92 96.447 6.388 2.911 1.00 0.00 H new ATOM 0 HG2 ARG A 92 98.684 5.742 1.957 1.00 0.00 H new ATOM 0 HG3 ARG A 92 98.248 6.494 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 92 99.541 8.125 1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 92 97.879 8.681 1.683 1.00 0.00 H new ATOM 0 HE ARG A 92 97.705 8.239 4.011 1.00 0.00 H new ATOM 0 HH11 ARG A 92 100.605 6.903 2.563 1.00 0.00 H new ATOM 0 HH12 ARG A 92 101.391 6.582 4.112 1.00 0.00 H new ATOM 0 HH21 ARG A 92 98.738 7.846 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 92 100.344 7.111 6.041 1.00 0.00 H new