USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 641 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 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot -8:sc= 0.0826 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0136) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= -0.582 (180deg=-0.626) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.875 (180deg=-1.31!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.467 USER MOD Single : A 27 TYR OH : rot 46:sc= 0 USER MOD Single : A 28 SER OG : rot 35:sc= 0.515 USER MOD Single : A 29 THR OG1 : rot 141:sc= -6.04! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0284 USER MOD Single : A 33 THR OG1 : rot -12:sc= 0.287! USER MOD Single : A 34 SER OG : rot 8:sc= 0.942 USER MOD Single : A 36 THR OG1 : rot -117:sc= -0.513! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.4) USER MOD Single : A 58 THR OG1 : rot 48:sc= 0.123 USER MOD Single : A 59 THR OG1 : rot -175:sc= -0.25! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -114:sc=-0.00997 (180deg=-1.21) USER MOD Single : A 66 CYS SG : rot -170:sc= -4.64! USER MOD Single : A 68 ASN : amide:sc= -6.35! C(o=-6.3!,f=-8.8!) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00774) USER MOD Single : A 73 TYR OH : rot 77:sc= -1.95 USER MOD Single : A 75 TYR OH : rot 121:sc= 1.11 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 7.582 -6.500 16.768 1.00 0.00 N ATOM 2 CA GLU A 7 8.279 -6.466 15.494 1.00 0.00 C ATOM 3 C GLU A 7 7.874 -7.666 14.635 1.00 0.00 C ATOM 4 O GLU A 7 8.316 -7.794 13.495 1.00 0.00 O ATOM 5 CB GLU A 7 9.795 -6.427 15.700 1.00 0.00 C ATOM 6 CG GLU A 7 10.227 -7.415 16.786 1.00 0.00 C ATOM 7 CD GLU A 7 11.208 -8.448 16.228 1.00 0.00 C ATOM 8 OE1 GLU A 7 11.018 -8.835 15.055 1.00 0.00 O ATOM 9 OE2 GLU A 7 12.126 -8.827 16.988 1.00 0.00 O ATOM 0 HA GLU A 7 7.992 -5.555 14.969 1.00 0.00 H new ATOM 0 HB2 GLU A 7 10.299 -6.667 14.764 1.00 0.00 H new ATOM 0 HB3 GLU A 7 10.102 -5.419 15.978 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.692 -6.874 17.610 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.351 -7.922 17.191 1.00 0.00 H new ATOM 16 N LYS A 8 7.037 -8.513 15.216 1.00 0.00 N ATOM 17 CA LYS A 8 6.567 -9.697 14.518 1.00 0.00 C ATOM 18 C LYS A 8 5.700 -9.274 13.330 1.00 0.00 C ATOM 19 O LYS A 8 5.387 -10.089 12.464 1.00 0.00 O ATOM 20 CB LYS A 8 5.860 -10.646 15.488 1.00 0.00 C ATOM 21 CG LYS A 8 4.350 -10.399 15.493 1.00 0.00 C ATOM 22 CD LYS A 8 3.653 -11.239 14.421 1.00 0.00 C ATOM 23 CE LYS A 8 2.374 -11.875 14.968 1.00 0.00 C ATOM 24 NZ LYS A 8 2.689 -13.117 15.709 1.00 0.00 N ATOM 0 H LYS A 8 6.672 -8.403 16.162 1.00 0.00 H new ATOM 0 HA LYS A 8 7.409 -10.260 14.114 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.062 -11.679 15.204 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.258 -10.508 16.493 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.941 -10.643 16.474 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.150 -9.342 15.318 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.413 -10.612 13.562 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.329 -12.018 14.068 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.864 -11.172 15.626 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.692 -12.097 14.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.810 -13.536 16.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.156 -13.793 15.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.323 -12.896 16.503 1.00 0.00 H new ATOM 38 N GLU A 9 5.337 -7.999 13.329 1.00 0.00 N ATOM 39 CA GLU A 9 4.512 -7.458 12.262 1.00 0.00 C ATOM 40 C GLU A 9 5.238 -7.572 10.920 1.00 0.00 C ATOM 41 O GLU A 9 4.635 -7.943 9.914 1.00 0.00 O ATOM 42 CB GLU A 9 4.123 -6.007 12.553 1.00 0.00 C ATOM 43 CG GLU A 9 5.365 -5.125 12.696 1.00 0.00 C ATOM 44 CD GLU A 9 4.982 -3.702 13.108 1.00 0.00 C ATOM 45 OE1 GLU A 9 4.062 -3.153 12.465 1.00 0.00 O ATOM 46 OE2 GLU A 9 5.618 -3.196 14.058 1.00 0.00 O ATOM 0 H GLU A 9 5.599 -7.326 14.049 1.00 0.00 H new ATOM 0 HA GLU A 9 3.594 -8.042 12.207 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.493 -5.627 11.748 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.533 -5.961 13.468 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.037 -5.554 13.439 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.909 -5.100 11.752 1.00 0.00 H new ATOM 53 N GLU A 10 6.522 -7.248 10.948 1.00 0.00 N ATOM 54 CA GLU A 10 7.337 -7.310 9.746 1.00 0.00 C ATOM 55 C GLU A 10 7.580 -8.767 9.344 1.00 0.00 C ATOM 56 O GLU A 10 7.597 -9.092 8.158 1.00 0.00 O ATOM 57 CB GLU A 10 8.660 -6.567 9.941 1.00 0.00 C ATOM 58 CG GLU A 10 9.615 -6.834 8.776 1.00 0.00 C ATOM 59 CD GLU A 10 9.147 -6.115 7.509 1.00 0.00 C ATOM 60 OE1 GLU A 10 8.125 -6.563 6.947 1.00 0.00 O ATOM 61 OE2 GLU A 10 9.823 -5.134 7.131 1.00 0.00 O ATOM 0 H GLU A 10 7.019 -6.941 11.784 1.00 0.00 H new ATOM 0 HA GLU A 10 6.797 -6.816 8.939 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.471 -5.497 10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.124 -6.882 10.876 1.00 0.00 H new ATOM 0 HG2 GLU A 10 10.618 -6.499 9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.676 -7.906 8.589 1.00 0.00 H new ATOM 68 N LYS A 11 7.761 -9.604 10.355 1.00 0.00 N ATOM 69 CA LYS A 11 8.003 -11.017 10.122 1.00 0.00 C ATOM 70 C LYS A 11 6.717 -11.672 9.613 1.00 0.00 C ATOM 71 O LYS A 11 6.764 -12.558 8.761 1.00 0.00 O ATOM 72 CB LYS A 11 8.573 -11.678 11.379 1.00 0.00 C ATOM 73 CG LYS A 11 9.990 -11.178 11.666 1.00 0.00 C ATOM 74 CD LYS A 11 10.985 -11.731 10.644 1.00 0.00 C ATOM 75 CE LYS A 11 11.706 -10.598 9.912 1.00 0.00 C ATOM 76 NZ LYS A 11 12.687 -9.944 10.807 1.00 0.00 N ATOM 0 H LYS A 11 7.745 -9.330 11.337 1.00 0.00 H new ATOM 0 HA LYS A 11 8.759 -11.152 9.348 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.928 -11.464 12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 11 8.584 -12.761 11.252 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.007 -10.088 11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.289 -11.479 12.670 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.714 -12.365 11.148 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.461 -12.359 9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.214 -10.991 9.031 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.980 -9.865 9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 13.167 -9.177 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.194 -9.551 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.390 -10.643 11.122 1.00 0.00 H new ATOM 90 N ASP A 12 5.600 -11.211 10.156 1.00 0.00 N ATOM 91 CA ASP A 12 4.305 -11.741 9.767 1.00 0.00 C ATOM 92 C ASP A 12 4.091 -11.507 8.270 1.00 0.00 C ATOM 93 O ASP A 12 3.637 -12.400 7.557 1.00 0.00 O ATOM 94 CB ASP A 12 3.173 -11.040 10.521 1.00 0.00 C ATOM 95 CG ASP A 12 1.762 -11.468 10.115 1.00 0.00 C ATOM 96 OD1 ASP A 12 1.357 -12.568 10.548 1.00 0.00 O ATOM 97 OD2 ASP A 12 1.121 -10.687 9.380 1.00 0.00 O ATOM 0 H ASP A 12 5.565 -10.476 10.862 1.00 0.00 H new ATOM 0 HA ASP A 12 4.292 -12.805 10.004 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.299 -11.224 11.588 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.268 -9.965 10.370 1.00 0.00 H new ATOM 102 N PHE A 13 4.429 -10.301 7.838 1.00 0.00 N ATOM 103 CA PHE A 13 4.280 -9.938 6.439 1.00 0.00 C ATOM 104 C PHE A 13 5.268 -10.712 5.564 1.00 0.00 C ATOM 105 O PHE A 13 4.877 -11.319 4.568 1.00 0.00 O ATOM 106 CB PHE A 13 4.584 -8.442 6.330 1.00 0.00 C ATOM 107 CG PHE A 13 5.235 -8.035 5.007 1.00 0.00 C ATOM 108 CD1 PHE A 13 6.590 -8.049 4.883 1.00 0.00 C ATOM 109 CD2 PHE A 13 4.460 -7.658 3.955 1.00 0.00 C ATOM 110 CE1 PHE A 13 7.194 -7.670 3.655 1.00 0.00 C ATOM 111 CE2 PHE A 13 5.065 -7.280 2.727 1.00 0.00 C ATOM 112 CZ PHE A 13 6.419 -7.294 2.603 1.00 0.00 C ATOM 0 H PHE A 13 4.806 -9.563 8.432 1.00 0.00 H new ATOM 0 HA PHE A 13 3.272 -10.174 6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.656 -7.883 6.454 1.00 0.00 H new ATOM 0 HB3 PHE A 13 5.241 -8.154 7.150 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.206 -8.348 5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.385 -7.646 4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 13 8.269 -7.680 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.449 -6.981 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.879 -7.006 1.669 1.00 0.00 H new ATOM 122 N ARG A 14 6.529 -10.665 5.967 1.00 0.00 N ATOM 123 CA ARG A 14 7.576 -11.354 5.232 1.00 0.00 C ATOM 124 C ARG A 14 7.288 -12.856 5.180 1.00 0.00 C ATOM 125 O ARG A 14 7.678 -13.534 4.231 1.00 0.00 O ATOM 126 CB ARG A 14 8.944 -11.126 5.877 1.00 0.00 C ATOM 127 CG ARG A 14 9.900 -12.277 5.558 1.00 0.00 C ATOM 128 CD ARG A 14 11.334 -11.927 5.959 1.00 0.00 C ATOM 129 NE ARG A 14 12.189 -11.835 4.754 1.00 0.00 N ATOM 130 CZ ARG A 14 12.389 -10.700 4.052 1.00 0.00 C ATOM 131 NH1 ARG A 14 11.796 -9.547 4.430 1.00 0.00 N ATOM 132 NH2 ARG A 14 13.173 -10.733 2.991 1.00 0.00 N ATOM 0 H ARG A 14 6.850 -10.160 6.793 1.00 0.00 H new ATOM 0 HA ARG A 14 7.592 -10.948 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.367 -10.187 5.519 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.830 -11.032 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 14 9.581 -13.176 6.085 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.861 -12.502 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 14 11.349 -10.980 6.498 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.726 -12.686 6.636 1.00 0.00 H new ATOM 0 HE ARG A 14 12.657 -12.683 4.434 1.00 0.00 H new ATOM 0 HH11 ARG A 14 11.192 -9.530 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.952 -8.693 3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 14 13.617 -11.608 2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 14 13.334 -9.884 2.450 1.00 0.00 H new ATOM 146 N LYS A 15 6.607 -13.331 6.212 1.00 0.00 N ATOM 147 CA LYS A 15 6.262 -14.740 6.297 1.00 0.00 C ATOM 148 C LYS A 15 5.522 -15.157 5.024 1.00 0.00 C ATOM 149 O LYS A 15 5.969 -16.048 4.305 1.00 0.00 O ATOM 150 CB LYS A 15 5.483 -15.025 7.583 1.00 0.00 C ATOM 151 CG LYS A 15 4.483 -16.165 7.377 1.00 0.00 C ATOM 152 CD LYS A 15 3.092 -15.621 7.046 1.00 0.00 C ATOM 153 CE LYS A 15 2.094 -15.958 8.156 1.00 0.00 C ATOM 154 NZ LYS A 15 1.782 -17.404 8.152 1.00 0.00 N ATOM 0 H LYS A 15 6.285 -12.765 6.997 1.00 0.00 H new ATOM 0 HA LYS A 15 7.163 -15.350 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 15 6.177 -15.285 8.383 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.955 -14.126 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.826 -16.813 6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.433 -16.777 8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.142 -14.540 6.913 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.748 -16.043 6.102 1.00 0.00 H new ATOM 0 HE2 LYS A 15 2.507 -15.672 9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.179 -15.382 8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.995 -17.591 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.513 -17.698 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.619 -17.941 8.456 1.00 0.00 H new ATOM 168 N LYS A 16 4.401 -14.491 4.785 1.00 0.00 N ATOM 169 CA LYS A 16 3.594 -14.781 3.612 1.00 0.00 C ATOM 170 C LYS A 16 4.152 -14.013 2.412 1.00 0.00 C ATOM 171 O LYS A 16 4.085 -14.490 1.280 1.00 0.00 O ATOM 172 CB LYS A 16 2.118 -14.494 3.893 1.00 0.00 C ATOM 173 CG LYS A 16 1.214 -15.366 3.019 1.00 0.00 C ATOM 174 CD LYS A 16 1.371 -16.846 3.372 1.00 0.00 C ATOM 175 CE LYS A 16 1.665 -17.680 2.123 1.00 0.00 C ATOM 176 NZ LYS A 16 3.040 -17.422 1.639 1.00 0.00 N ATOM 0 H LYS A 16 4.033 -13.752 5.384 1.00 0.00 H new ATOM 0 HA LYS A 16 3.647 -15.841 3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.902 -14.680 4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.906 -13.441 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.175 -15.065 3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.459 -15.211 1.968 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.179 -16.968 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.460 -17.208 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.546 -18.739 2.350 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.946 -17.439 1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.194 -17.930 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.168 -16.402 1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.725 -17.753 2.348 1.00 0.00 H new ATOM 190 N PHE A 17 4.691 -12.838 2.701 1.00 0.00 N ATOM 191 CA PHE A 17 5.260 -11.999 1.660 1.00 0.00 C ATOM 192 C PHE A 17 6.731 -12.346 1.420 1.00 0.00 C ATOM 193 O PHE A 17 7.520 -11.486 1.032 1.00 0.00 O ATOM 194 CB PHE A 17 5.163 -10.552 2.147 1.00 0.00 C ATOM 195 CG PHE A 17 3.745 -9.978 2.111 1.00 0.00 C ATOM 196 CD1 PHE A 17 2.764 -10.540 2.866 1.00 0.00 C ATOM 197 CD2 PHE A 17 3.466 -8.905 1.323 1.00 0.00 C ATOM 198 CE1 PHE A 17 1.448 -10.007 2.833 1.00 0.00 C ATOM 199 CE2 PHE A 17 2.151 -8.372 1.289 1.00 0.00 C ATOM 200 CZ PHE A 17 1.169 -8.934 2.045 1.00 0.00 C ATOM 0 H PHE A 17 4.746 -12.447 3.641 1.00 0.00 H new ATOM 0 HA PHE A 17 4.721 -12.150 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.541 -10.497 3.168 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.812 -9.928 1.533 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.986 -11.392 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.245 -8.459 0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.669 -10.453 3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.930 -7.520 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.168 -8.528 2.019 1.00 0.00 H new ATOM 210 N LYS A 18 7.056 -13.608 1.661 1.00 0.00 N ATOM 211 CA LYS A 18 8.418 -14.079 1.477 1.00 0.00 C ATOM 212 C LYS A 18 9.046 -13.354 0.285 1.00 0.00 C ATOM 213 O LYS A 18 10.153 -13.686 -0.135 1.00 0.00 O ATOM 214 CB LYS A 18 8.445 -15.603 1.353 1.00 0.00 C ATOM 215 CG LYS A 18 7.426 -16.088 0.319 1.00 0.00 C ATOM 216 CD LYS A 18 8.100 -16.368 -1.025 1.00 0.00 C ATOM 217 CE LYS A 18 7.189 -15.971 -2.189 1.00 0.00 C ATOM 218 NZ LYS A 18 6.821 -14.541 -2.094 1.00 0.00 N ATOM 0 H LYS A 18 6.399 -14.319 1.982 1.00 0.00 H new ATOM 0 HA LYS A 18 9.025 -13.842 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.444 -15.930 1.065 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.228 -16.054 2.321 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.938 -16.993 0.681 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.648 -15.336 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.038 -15.816 -1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.348 -17.427 -1.098 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.695 -16.160 -3.136 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.289 -16.586 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.504 -14.202 -3.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.052 -14.425 -1.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.648 -13.989 -1.788 1.00 0.00 H new ATOM 232 N TYR A 19 8.312 -12.376 -0.227 1.00 0.00 N ATOM 233 CA TYR A 19 8.784 -11.602 -1.362 1.00 0.00 C ATOM 234 C TYR A 19 10.039 -10.806 -0.999 1.00 0.00 C ATOM 235 O TYR A 19 10.021 -10.001 -0.069 1.00 0.00 O ATOM 236 CB TYR A 19 7.656 -10.625 -1.703 1.00 0.00 C ATOM 237 CG TYR A 19 8.143 -9.250 -2.166 1.00 0.00 C ATOM 238 CD1 TYR A 19 8.970 -9.145 -3.266 1.00 0.00 C ATOM 239 CD2 TYR A 19 7.756 -8.115 -1.483 1.00 0.00 C ATOM 240 CE1 TYR A 19 9.428 -7.851 -3.701 1.00 0.00 C ATOM 241 CE2 TYR A 19 8.214 -6.821 -1.918 1.00 0.00 C ATOM 242 CZ TYR A 19 9.027 -6.753 -3.006 1.00 0.00 C ATOM 243 OH TYR A 19 9.460 -5.531 -3.417 1.00 0.00 O ATOM 0 H TYR A 19 7.394 -12.102 0.124 1.00 0.00 H new ATOM 0 HA TYR A 19 9.037 -12.257 -2.195 1.00 0.00 H new ATOM 0 HB2 TYR A 19 7.035 -11.062 -2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.021 -10.498 -0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.274 -10.033 -3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 19 7.109 -8.197 -0.622 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.075 -7.755 -4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 19 7.919 -5.925 -1.392 1.00 0.00 H new ATOM 0 HH TYR A 19 9.094 -4.839 -2.828 1.00 0.00 H new ATOM 253 N ASP A 20 11.099 -11.059 -1.752 1.00 0.00 N ATOM 254 CA ASP A 20 12.361 -10.377 -1.522 1.00 0.00 C ATOM 255 C ASP A 20 12.519 -9.248 -2.542 1.00 0.00 C ATOM 256 O ASP A 20 12.930 -9.485 -3.677 1.00 0.00 O ATOM 257 CB ASP A 20 13.543 -11.334 -1.689 1.00 0.00 C ATOM 258 CG ASP A 20 13.892 -12.155 -0.446 1.00 0.00 C ATOM 259 OD1 ASP A 20 14.624 -11.609 0.408 1.00 0.00 O ATOM 260 OD2 ASP A 20 13.418 -13.309 -0.377 1.00 0.00 O ATOM 0 H ASP A 20 11.110 -11.727 -2.522 1.00 0.00 H new ATOM 0 HA ASP A 20 12.353 -9.988 -0.504 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.324 -12.019 -2.508 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.420 -10.757 -1.982 1.00 0.00 H new ATOM 265 N GLY A 21 12.184 -8.044 -2.101 1.00 0.00 N ATOM 266 CA GLY A 21 12.284 -6.877 -2.962 1.00 0.00 C ATOM 267 C GLY A 21 12.612 -5.623 -2.149 1.00 0.00 C ATOM 268 O GLY A 21 12.942 -5.713 -0.968 1.00 0.00 O ATOM 0 H GLY A 21 11.843 -7.851 -1.159 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.057 -7.040 -3.713 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.345 -6.733 -3.496 1.00 0.00 H new ATOM 272 N GLU A 22 12.509 -4.482 -2.815 1.00 0.00 N ATOM 273 CA GLU A 22 12.791 -3.211 -2.169 1.00 0.00 C ATOM 274 C GLU A 22 11.486 -2.494 -1.818 1.00 0.00 C ATOM 275 O GLU A 22 10.936 -1.761 -2.638 1.00 0.00 O ATOM 276 CB GLU A 22 13.679 -2.333 -3.053 1.00 0.00 C ATOM 277 CG GLU A 22 13.240 -2.406 -4.517 1.00 0.00 C ATOM 278 CD GLU A 22 13.673 -1.154 -5.282 1.00 0.00 C ATOM 279 OE1 GLU A 22 14.881 -0.841 -5.221 1.00 0.00 O ATOM 280 OE2 GLU A 22 12.785 -0.537 -5.910 1.00 0.00 O ATOM 0 H GLU A 22 12.234 -4.411 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 22 13.335 -3.407 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.634 -1.300 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.717 -2.654 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.671 -3.290 -4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.157 -2.513 -4.571 1.00 0.00 H new ATOM 287 N ILE A 23 11.029 -2.730 -0.597 1.00 0.00 N ATOM 288 CA ILE A 23 9.799 -2.115 -0.126 1.00 0.00 C ATOM 289 C ILE A 23 9.995 -0.600 -0.032 1.00 0.00 C ATOM 290 O ILE A 23 10.696 -0.115 0.855 1.00 0.00 O ATOM 291 CB ILE A 23 9.346 -2.759 1.185 1.00 0.00 C ATOM 292 CG1 ILE A 23 8.017 -3.496 1.004 1.00 0.00 C ATOM 293 CG2 ILE A 23 9.279 -1.724 2.310 1.00 0.00 C ATOM 294 CD1 ILE A 23 7.887 -4.646 2.004 1.00 0.00 C ATOM 0 H ILE A 23 11.488 -3.339 0.081 1.00 0.00 H new ATOM 0 HA ILE A 23 8.990 -2.289 -0.836 1.00 0.00 H new ATOM 0 HB ILE A 23 10.089 -3.502 1.475 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.190 -2.799 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.948 -3.884 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.954 -2.208 3.231 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.265 -1.285 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 23 8.570 -0.941 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.934 -5.153 1.854 1.00 0.00 H new ATOM 0 HD12 ILE A 23 8.702 -5.354 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.932 -4.252 3.019 1.00 0.00 H new ATOM 306 N ARG A 24 9.362 0.104 -0.958 1.00 0.00 N ATOM 307 CA ARG A 24 9.457 1.554 -0.991 1.00 0.00 C ATOM 308 C ARG A 24 8.233 2.151 -1.686 1.00 0.00 C ATOM 309 O ARG A 24 8.008 1.910 -2.871 1.00 0.00 O ATOM 310 CB ARG A 24 10.722 2.006 -1.723 1.00 0.00 C ATOM 311 CG ARG A 24 11.212 3.354 -1.190 1.00 0.00 C ATOM 312 CD ARG A 24 10.635 4.511 -2.009 1.00 0.00 C ATOM 313 NE ARG A 24 11.437 5.735 -1.789 1.00 0.00 N ATOM 314 CZ ARG A 24 11.315 6.861 -2.524 1.00 0.00 C ATOM 315 NH1 ARG A 24 10.422 6.927 -3.534 1.00 0.00 N ATOM 316 NH2 ARG A 24 12.083 7.897 -2.240 1.00 0.00 N ATOM 0 H ARG A 24 8.781 -0.302 -1.691 1.00 0.00 H new ATOM 0 HA ARG A 24 9.501 1.907 0.039 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.504 1.257 -1.601 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.520 2.085 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.921 3.463 -0.145 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.301 3.388 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.633 4.253 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.598 4.689 -1.723 1.00 0.00 H new ATOM 0 HE ARG A 24 12.124 5.728 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.833 6.122 -3.747 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.336 7.782 -4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.756 7.839 -1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.004 8.755 -2.785 1.00 0.00 H new ATOM 330 N VAL A 25 7.472 2.919 -0.919 1.00 0.00 N ATOM 331 CA VAL A 25 6.275 3.552 -1.447 1.00 0.00 C ATOM 332 C VAL A 25 6.673 4.580 -2.508 1.00 0.00 C ATOM 333 O VAL A 25 7.071 5.696 -2.178 1.00 0.00 O ATOM 334 CB VAL A 25 5.457 4.158 -0.305 1.00 0.00 C ATOM 335 CG1 VAL A 25 6.304 5.129 0.521 1.00 0.00 C ATOM 336 CG2 VAL A 25 4.198 4.846 -0.837 1.00 0.00 C ATOM 0 H VAL A 25 7.661 3.117 0.064 1.00 0.00 H new ATOM 0 HA VAL A 25 5.635 2.815 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 25 5.144 3.345 0.350 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.699 5.546 1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.156 4.598 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.661 5.936 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.635 5.268 -0.005 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.482 5.643 -1.524 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.579 4.118 -1.361 1.00 0.00 H new ATOM 346 N LEU A 26 6.553 4.166 -3.761 1.00 0.00 N ATOM 347 CA LEU A 26 6.895 5.037 -4.873 1.00 0.00 C ATOM 348 C LEU A 26 5.652 5.814 -5.308 1.00 0.00 C ATOM 349 O LEU A 26 5.705 7.031 -5.480 1.00 0.00 O ATOM 350 CB LEU A 26 7.544 4.234 -6.002 1.00 0.00 C ATOM 351 CG LEU A 26 8.563 4.986 -6.860 1.00 0.00 C ATOM 352 CD1 LEU A 26 8.626 4.404 -8.274 1.00 0.00 C ATOM 353 CD2 LEU A 26 8.268 6.488 -6.872 1.00 0.00 C ATOM 0 H LEU A 26 6.224 3.239 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 26 7.639 5.772 -4.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.037 3.365 -5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.755 3.859 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 26 9.548 4.854 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.358 4.957 -8.863 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.919 3.355 -8.223 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.646 4.485 -8.745 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.007 6.999 -7.489 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.272 6.660 -7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.314 6.876 -5.854 1.00 0.00 H new ATOM 365 N TYR A 27 4.561 5.080 -5.473 1.00 0.00 N ATOM 366 CA TYR A 27 3.306 5.686 -5.884 1.00 0.00 C ATOM 367 C TYR A 27 2.178 5.320 -4.917 1.00 0.00 C ATOM 368 O TYR A 27 1.469 4.338 -5.128 1.00 0.00 O ATOM 369 CB TYR A 27 2.989 5.103 -7.263 1.00 0.00 C ATOM 370 CG TYR A 27 2.677 3.606 -7.249 1.00 0.00 C ATOM 371 CD1 TYR A 27 3.706 2.687 -7.210 1.00 0.00 C ATOM 372 CD2 TYR A 27 1.366 3.174 -7.275 1.00 0.00 C ATOM 373 CE1 TYR A 27 3.412 1.277 -7.197 1.00 0.00 C ATOM 374 CE2 TYR A 27 1.073 1.764 -7.262 1.00 0.00 C ATOM 375 CZ TYR A 27 2.110 0.885 -7.224 1.00 0.00 C ATOM 376 OH TYR A 27 1.833 -0.446 -7.211 1.00 0.00 O ATOM 0 H TYR A 27 4.520 4.071 -5.329 1.00 0.00 H new ATOM 0 HA TYR A 27 3.390 6.773 -5.898 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.138 5.637 -7.685 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.837 5.281 -7.925 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.732 3.025 -7.189 1.00 0.00 H new ATOM 0 HD2 TYR A 27 0.561 3.893 -7.305 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.208 0.547 -7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 27 0.052 1.412 -7.282 1.00 0.00 H new ATOM 0 HH TYR A 27 2.374 -0.886 -6.522 1.00 0.00 H new ATOM 386 N SER A 28 2.047 6.130 -3.877 1.00 0.00 N ATOM 387 CA SER A 28 1.018 5.905 -2.877 1.00 0.00 C ATOM 388 C SER A 28 -0.357 6.250 -3.454 1.00 0.00 C ATOM 389 O SER A 28 -0.656 7.418 -3.697 1.00 0.00 O ATOM 390 CB SER A 28 1.285 6.727 -1.615 1.00 0.00 C ATOM 391 OG SER A 28 1.357 8.123 -1.893 1.00 0.00 O ATOM 0 H SER A 28 2.637 6.944 -3.705 1.00 0.00 H new ATOM 0 HA SER A 28 1.036 4.851 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.494 6.542 -0.888 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.220 6.399 -1.160 1.00 0.00 H new ATOM 0 HG SER A 28 0.731 8.346 -2.613 1.00 0.00 H new ATOM 397 N THR A 29 -1.156 5.212 -3.657 1.00 0.00 N ATOM 398 CA THR A 29 -2.491 5.391 -4.201 1.00 0.00 C ATOM 399 C THR A 29 -3.484 5.710 -3.082 1.00 0.00 C ATOM 400 O THR A 29 -3.221 5.428 -1.914 1.00 0.00 O ATOM 401 CB THR A 29 -2.851 4.133 -4.993 1.00 0.00 C ATOM 402 OG1 THR A 29 -3.863 4.570 -5.897 1.00 0.00 O ATOM 403 CG2 THR A 29 -3.551 3.079 -4.132 1.00 0.00 C ATOM 0 H THR A 29 -0.904 4.245 -3.454 1.00 0.00 H new ATOM 0 HA THR A 29 -2.531 6.242 -4.880 1.00 0.00 H new ATOM 0 HB THR A 29 -1.947 3.706 -5.426 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.735 4.135 -6.766 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.784 2.207 -4.743 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.895 2.784 -3.313 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.473 3.495 -3.726 1.00 0.00 H new ATOM 411 N LYS A 30 -4.606 6.294 -3.478 1.00 0.00 N ATOM 412 CA LYS A 30 -5.640 6.654 -2.523 1.00 0.00 C ATOM 413 C LYS A 30 -6.770 5.626 -2.589 1.00 0.00 C ATOM 414 O LYS A 30 -7.195 5.234 -3.675 1.00 0.00 O ATOM 415 CB LYS A 30 -6.104 8.094 -2.753 1.00 0.00 C ATOM 416 CG LYS A 30 -5.745 8.983 -1.561 1.00 0.00 C ATOM 417 CD LYS A 30 -6.096 10.446 -1.843 1.00 0.00 C ATOM 418 CE LYS A 30 -7.361 10.861 -1.090 1.00 0.00 C ATOM 419 NZ LYS A 30 -8.492 11.028 -2.030 1.00 0.00 N ATOM 0 H LYS A 30 -4.821 6.527 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.245 6.629 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.642 8.489 -3.658 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.182 8.111 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.279 8.642 -0.674 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.680 8.896 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.265 11.087 -1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.242 10.589 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.610 10.108 -0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.184 11.794 -0.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.343 11.310 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.258 11.763 -2.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.671 10.129 -2.521 1.00 0.00 H new ATOM 433 N VAL A 31 -7.225 5.217 -1.414 1.00 0.00 N ATOM 434 CA VAL A 31 -8.298 4.241 -1.325 1.00 0.00 C ATOM 435 C VAL A 31 -9.629 4.922 -1.654 1.00 0.00 C ATOM 436 O VAL A 31 -10.006 5.899 -1.010 1.00 0.00 O ATOM 437 CB VAL A 31 -8.290 3.579 0.054 1.00 0.00 C ATOM 438 CG1 VAL A 31 -8.917 2.184 -0.004 1.00 0.00 C ATOM 439 CG2 VAL A 31 -6.873 3.520 0.626 1.00 0.00 C ATOM 0 H VAL A 31 -6.870 5.544 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.151 3.444 -2.054 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.895 4.191 0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -8.899 1.735 0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.948 2.263 -0.348 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.351 1.559 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.896 3.045 1.607 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.235 2.942 -0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.477 4.531 0.722 1.00 0.00 H new ATOM 449 N THR A 32 -10.304 4.377 -2.656 1.00 0.00 N ATOM 450 CA THR A 32 -11.584 4.919 -3.078 1.00 0.00 C ATOM 451 C THR A 32 -12.686 4.507 -2.100 1.00 0.00 C ATOM 452 O THR A 32 -12.429 3.786 -1.137 1.00 0.00 O ATOM 453 CB THR A 32 -11.842 4.458 -4.514 1.00 0.00 C ATOM 454 OG1 THR A 32 -12.972 5.223 -4.926 1.00 0.00 O ATOM 455 CG2 THR A 32 -12.328 3.009 -4.585 1.00 0.00 C ATOM 0 H THR A 32 -9.988 3.566 -3.188 1.00 0.00 H new ATOM 0 HA THR A 32 -11.575 6.009 -3.068 1.00 0.00 H new ATOM 0 HB THR A 32 -10.928 4.564 -5.099 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.207 4.989 -5.848 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.496 2.732 -5.626 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.575 2.351 -4.152 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.260 2.910 -4.028 1.00 0.00 H new ATOM 463 N THR A 33 -13.890 4.983 -2.381 1.00 0.00 N ATOM 464 CA THR A 33 -15.033 4.673 -1.538 1.00 0.00 C ATOM 465 C THR A 33 -15.589 3.290 -1.881 1.00 0.00 C ATOM 466 O THR A 33 -16.370 2.724 -1.117 1.00 0.00 O ATOM 467 CB THR A 33 -16.058 5.797 -1.698 1.00 0.00 C ATOM 468 OG1 THR A 33 -17.190 5.343 -0.962 1.00 0.00 O ATOM 469 CG2 THR A 33 -16.572 5.920 -3.134 1.00 0.00 C ATOM 0 H THR A 33 -14.099 5.581 -3.180 1.00 0.00 H new ATOM 0 HA THR A 33 -14.747 4.622 -0.487 1.00 0.00 H new ATOM 0 HB THR A 33 -15.611 6.742 -1.390 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.077 4.395 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.297 6.732 -3.193 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.737 6.129 -3.803 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.049 4.986 -3.431 1.00 0.00 H new ATOM 477 N SER A 34 -15.165 2.785 -3.030 1.00 0.00 N ATOM 478 CA SER A 34 -15.611 1.479 -3.483 1.00 0.00 C ATOM 479 C SER A 34 -14.562 0.419 -3.141 1.00 0.00 C ATOM 480 O SER A 34 -14.608 -0.695 -3.659 1.00 0.00 O ATOM 481 CB SER A 34 -15.889 1.484 -4.988 1.00 0.00 C ATOM 482 OG SER A 34 -15.988 0.164 -5.517 1.00 0.00 O ATOM 0 H SER A 34 -14.517 3.257 -3.661 1.00 0.00 H new ATOM 0 HA SER A 34 -16.542 1.238 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.816 2.023 -5.184 1.00 0.00 H new ATOM 0 HB3 SER A 34 -15.092 2.022 -5.502 1.00 0.00 H new ATOM 0 HG SER A 34 -15.976 -0.485 -4.782 1.00 0.00 H new ATOM 488 N ILE A 35 -13.640 0.805 -2.271 1.00 0.00 N ATOM 489 CA ILE A 35 -12.581 -0.098 -1.853 1.00 0.00 C ATOM 490 C ILE A 35 -13.176 -1.210 -0.987 1.00 0.00 C ATOM 491 O ILE A 35 -14.350 -1.157 -0.623 1.00 0.00 O ATOM 492 CB ILE A 35 -11.454 0.678 -1.169 1.00 0.00 C ATOM 493 CG1 ILE A 35 -10.092 0.296 -1.752 1.00 0.00 C ATOM 494 CG2 ILE A 35 -11.501 0.489 0.349 1.00 0.00 C ATOM 495 CD1 ILE A 35 -9.289 -0.549 -0.762 1.00 0.00 C ATOM 0 H ILE A 35 -13.604 1.731 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.126 -0.578 -2.719 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.602 1.740 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.232 -0.259 -2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.534 1.198 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.689 1.051 0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.456 0.850 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.391 -0.569 0.587 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.325 -0.807 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.130 0.018 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.839 -1.462 -0.533 1.00 0.00 H new ATOM 507 N THR A 36 -12.339 -2.190 -0.681 1.00 0.00 N ATOM 508 CA THR A 36 -12.768 -3.313 0.136 1.00 0.00 C ATOM 509 C THR A 36 -13.021 -2.859 1.575 1.00 0.00 C ATOM 510 O THR A 36 -12.102 -2.413 2.260 1.00 0.00 O ATOM 511 CB THR A 36 -11.710 -4.412 0.023 1.00 0.00 C ATOM 512 OG1 THR A 36 -12.130 -5.396 0.964 1.00 0.00 O ATOM 513 CG2 THR A 36 -10.342 -3.962 0.538 1.00 0.00 C ATOM 0 H THR A 36 -11.366 -2.230 -0.984 1.00 0.00 H new ATOM 0 HA THR A 36 -13.717 -3.718 -0.216 1.00 0.00 H new ATOM 0 HB THR A 36 -11.621 -4.725 -1.017 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.450 -5.491 1.663 1.00 0.00 H new ATOM 0 HG21 THR A 36 -9.628 -4.779 0.435 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.999 -3.105 -0.042 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.423 -3.681 1.588 1.00 0.00 H new ATOM 521 N SER A 37 -14.272 -2.989 1.992 1.00 0.00 N ATOM 522 CA SER A 37 -14.658 -2.597 3.337 1.00 0.00 C ATOM 523 C SER A 37 -15.187 -3.811 4.103 1.00 0.00 C ATOM 524 O SER A 37 -15.098 -3.863 5.329 1.00 0.00 O ATOM 525 CB SER A 37 -15.710 -1.488 3.308 1.00 0.00 C ATOM 526 OG SER A 37 -16.933 -1.895 3.916 1.00 0.00 O ATOM 0 H SER A 37 -15.032 -3.361 1.422 1.00 0.00 H new ATOM 0 HA SER A 37 -13.776 -2.209 3.847 1.00 0.00 H new ATOM 0 HB2 SER A 37 -15.324 -0.609 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 37 -15.899 -1.195 2.275 1.00 0.00 H new ATOM 0 HG SER A 37 -17.578 -1.158 3.879 1.00 0.00 H new ATOM 532 N LYS A 38 -15.727 -4.758 3.350 1.00 0.00 N ATOM 533 CA LYS A 38 -16.270 -5.968 3.943 1.00 0.00 C ATOM 534 C LYS A 38 -15.289 -7.122 3.727 1.00 0.00 C ATOM 535 O LYS A 38 -14.972 -7.855 4.663 1.00 0.00 O ATOM 536 CB LYS A 38 -17.674 -6.245 3.402 1.00 0.00 C ATOM 537 CG LYS A 38 -17.615 -7.113 2.143 1.00 0.00 C ATOM 538 CD LYS A 38 -19.020 -7.502 1.679 1.00 0.00 C ATOM 539 CE LYS A 38 -19.359 -8.934 2.096 1.00 0.00 C ATOM 540 NZ LYS A 38 -19.128 -9.870 0.973 1.00 0.00 N ATOM 0 H LYS A 38 -15.800 -4.712 2.334 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.386 -5.846 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.270 -6.745 4.165 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -18.173 -5.303 3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.102 -6.572 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -17.032 -8.012 2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.751 -6.813 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -19.087 -7.410 0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.748 -9.224 2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.400 -8.989 2.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.363 -10.837 1.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -19.729 -9.602 0.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.129 -9.829 0.687 1.00 0.00 H new ATOM 554 N LYS A 39 -14.835 -7.247 2.489 1.00 0.00 N ATOM 555 CA LYS A 39 -13.896 -8.299 2.139 1.00 0.00 C ATOM 556 C LYS A 39 -12.556 -8.030 2.825 1.00 0.00 C ATOM 557 O LYS A 39 -11.971 -6.961 2.655 1.00 0.00 O ATOM 558 CB LYS A 39 -13.792 -8.440 0.619 1.00 0.00 C ATOM 559 CG LYS A 39 -13.996 -9.894 0.188 1.00 0.00 C ATOM 560 CD LYS A 39 -12.778 -10.748 0.545 1.00 0.00 C ATOM 561 CE LYS A 39 -11.670 -10.586 -0.497 1.00 0.00 C ATOM 562 NZ LYS A 39 -10.367 -10.354 0.164 1.00 0.00 N ATOM 0 H LYS A 39 -15.100 -6.637 1.716 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.252 -9.263 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.538 -7.807 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.815 -8.091 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.884 -10.300 0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.172 -9.937 -0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.403 -10.460 1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.071 -11.796 0.610 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -11.615 -11.479 -1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -11.903 -9.751 -1.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.626 -10.246 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.419 -9.489 0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.139 -11.163 0.776 1.00 0.00 H new ATOM 576 N TRP A 40 -12.107 -9.018 3.585 1.00 0.00 N ATOM 577 CA TRP A 40 -10.847 -8.901 4.298 1.00 0.00 C ATOM 578 C TRP A 40 -10.171 -10.274 4.292 1.00 0.00 C ATOM 579 O TRP A 40 -10.792 -11.276 4.643 1.00 0.00 O ATOM 580 CB TRP A 40 -11.063 -8.347 5.708 1.00 0.00 C ATOM 581 CG TRP A 40 -11.559 -6.900 5.738 1.00 0.00 C ATOM 582 CD1 TRP A 40 -12.521 -6.374 6.509 1.00 0.00 C ATOM 583 CD2 TRP A 40 -11.077 -5.808 4.927 1.00 0.00 C ATOM 584 NE1 TRP A 40 -12.693 -5.028 6.256 1.00 0.00 N ATOM 585 CE2 TRP A 40 -11.787 -4.673 5.263 1.00 0.00 C ATOM 586 CE3 TRP A 40 -10.074 -5.780 3.942 1.00 0.00 C ATOM 587 CZ2 TRP A 40 -11.570 -3.427 4.662 1.00 0.00 C ATOM 588 CZ3 TRP A 40 -9.870 -4.528 3.351 1.00 0.00 C ATOM 589 CH2 TRP A 40 -10.576 -3.376 3.678 1.00 0.00 C ATOM 0 H TRP A 40 -12.594 -9.904 3.722 1.00 0.00 H new ATOM 0 HA TRP A 40 -10.189 -8.187 3.803 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -11.783 -8.978 6.229 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -10.125 -8.411 6.260 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.090 -6.933 7.237 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -13.362 -4.408 6.713 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -9.506 -6.655 3.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -12.139 -2.553 4.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -9.111 -4.451 2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.358 -2.445 3.175 1.00 0.00 H new ATOM 600 N GLY A 41 -8.909 -10.275 3.890 1.00 0.00 N ATOM 601 CA GLY A 41 -8.142 -11.508 3.834 1.00 0.00 C ATOM 602 C GLY A 41 -6.933 -11.445 4.769 1.00 0.00 C ATOM 603 O GLY A 41 -6.491 -10.361 5.146 1.00 0.00 O ATOM 0 H GLY A 41 -8.398 -9.441 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.778 -12.349 4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.807 -11.686 2.812 1.00 0.00 H new ATOM 607 N THR A 42 -6.431 -12.621 5.116 1.00 0.00 N ATOM 608 CA THR A 42 -5.282 -12.713 6.000 1.00 0.00 C ATOM 609 C THR A 42 -4.106 -11.917 5.430 1.00 0.00 C ATOM 610 O THR A 42 -3.338 -11.315 6.179 1.00 0.00 O ATOM 611 CB THR A 42 -4.966 -14.195 6.212 1.00 0.00 C ATOM 612 OG1 THR A 42 -3.719 -14.189 6.902 1.00 0.00 O ATOM 613 CG2 THR A 42 -4.663 -14.923 4.901 1.00 0.00 C ATOM 0 H THR A 42 -6.799 -13.518 4.801 1.00 0.00 H new ATOM 0 HA THR A 42 -5.494 -12.269 6.972 1.00 0.00 H new ATOM 0 HB THR A 42 -5.808 -14.678 6.709 1.00 0.00 H new ATOM 0 HG1 THR A 42 -3.440 -15.111 7.081 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.446 -15.971 5.108 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.527 -14.856 4.239 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.801 -14.462 4.420 1.00 0.00 H new ATOM 621 N ARG A 43 -4.002 -11.940 4.109 1.00 0.00 N ATOM 622 CA ARG A 43 -2.933 -11.228 3.430 1.00 0.00 C ATOM 623 C ARG A 43 -3.423 -9.857 2.960 1.00 0.00 C ATOM 624 O ARG A 43 -2.708 -9.146 2.256 1.00 0.00 O ATOM 625 CB ARG A 43 -2.423 -12.020 2.225 1.00 0.00 C ATOM 626 CG ARG A 43 -1.160 -12.807 2.581 1.00 0.00 C ATOM 627 CD ARG A 43 -0.432 -13.275 1.319 1.00 0.00 C ATOM 628 NE ARG A 43 -1.250 -12.976 0.122 1.00 0.00 N ATOM 629 CZ ARG A 43 -2.400 -13.612 -0.186 1.00 0.00 C ATOM 630 NH1 ARG A 43 -2.879 -14.589 0.612 1.00 0.00 N ATOM 631 NH2 ARG A 43 -3.049 -13.263 -1.281 1.00 0.00 N ATOM 0 H ARG A 43 -4.641 -12.441 3.491 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.116 -11.102 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.198 -12.705 1.881 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.211 -11.339 1.401 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.495 -12.184 3.179 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.425 -13.669 3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.535 -12.778 1.242 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.237 -14.346 1.378 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.924 -12.244 -0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.371 -14.853 1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.749 -15.064 0.371 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.680 -12.524 -1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.920 -13.733 -1.529 1.00 0.00 H new ATOM 645 N ASP A 44 -4.640 -9.526 3.370 1.00 0.00 N ATOM 646 CA ASP A 44 -5.234 -8.253 2.999 1.00 0.00 C ATOM 647 C ASP A 44 -5.191 -7.307 4.201 1.00 0.00 C ATOM 648 O ASP A 44 -4.999 -7.745 5.334 1.00 0.00 O ATOM 649 CB ASP A 44 -6.697 -8.427 2.587 1.00 0.00 C ATOM 650 CG ASP A 44 -7.072 -7.785 1.250 1.00 0.00 C ATOM 651 OD1 ASP A 44 -7.109 -6.536 1.211 1.00 0.00 O ATOM 652 OD2 ASP A 44 -7.315 -8.557 0.297 1.00 0.00 O ATOM 0 H ASP A 44 -5.230 -10.118 3.955 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.669 -7.849 2.159 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.921 -9.493 2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.331 -8.005 3.366 1.00 0.00 H new ATOM 657 N LEU A 45 -5.372 -6.026 3.912 1.00 0.00 N ATOM 658 CA LEU A 45 -5.357 -5.015 4.954 1.00 0.00 C ATOM 659 C LEU A 45 -6.795 -4.670 5.346 1.00 0.00 C ATOM 660 O LEU A 45 -7.714 -4.819 4.542 1.00 0.00 O ATOM 661 CB LEU A 45 -4.532 -3.803 4.513 1.00 0.00 C ATOM 662 CG LEU A 45 -3.566 -3.235 5.554 1.00 0.00 C ATOM 663 CD1 LEU A 45 -2.516 -4.274 5.953 1.00 0.00 C ATOM 664 CD2 LEU A 45 -2.928 -1.936 5.058 1.00 0.00 C ATOM 0 H LEU A 45 -5.530 -5.666 2.971 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.866 -5.398 5.849 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.959 -4.081 3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.218 -3.011 4.213 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.135 -2.992 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.842 -3.844 6.694 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.011 -5.148 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.946 -4.571 5.073 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.246 -1.553 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.376 -2.130 4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.707 -1.198 4.865 1.00 0.00 H new ATOM 676 N GLN A 46 -6.945 -4.214 6.581 1.00 0.00 N ATOM 677 CA GLN A 46 -8.256 -3.847 7.089 1.00 0.00 C ATOM 678 C GLN A 46 -8.550 -2.377 6.785 1.00 0.00 C ATOM 679 O GLN A 46 -9.247 -1.709 7.547 1.00 0.00 O ATOM 680 CB GLN A 46 -8.361 -4.129 8.589 1.00 0.00 C ATOM 681 CG GLN A 46 -9.667 -3.572 9.161 1.00 0.00 C ATOM 682 CD GLN A 46 -10.133 -4.395 10.364 1.00 0.00 C ATOM 683 OE1 GLN A 46 -10.023 -3.986 11.508 1.00 0.00 O ATOM 684 NE2 GLN A 46 -10.657 -5.574 10.043 1.00 0.00 N ATOM 0 H GLN A 46 -6.180 -4.090 7.245 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.004 -4.459 6.585 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.312 -5.204 8.765 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -7.513 -3.682 9.107 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.524 -2.534 9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.438 -3.579 8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.719 -5.855 9.064 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.997 -6.197 10.775 1.00 0.00 H new ATOM 693 N VAL A 47 -8.004 -1.915 5.670 1.00 0.00 N ATOM 694 CA VAL A 47 -8.199 -0.536 5.256 1.00 0.00 C ATOM 695 C VAL A 47 -9.680 -0.305 4.950 1.00 0.00 C ATOM 696 O VAL A 47 -10.430 -1.256 4.737 1.00 0.00 O ATOM 697 CB VAL A 47 -7.286 -0.212 4.071 1.00 0.00 C ATOM 698 CG1 VAL A 47 -5.816 -0.425 4.437 1.00 0.00 C ATOM 699 CG2 VAL A 47 -7.670 -1.036 2.841 1.00 0.00 C ATOM 0 H VAL A 47 -7.426 -2.472 5.040 1.00 0.00 H new ATOM 0 HA VAL A 47 -7.922 0.147 6.059 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.420 0.841 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.189 -0.188 3.578 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.551 0.225 5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -5.660 -1.465 4.724 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.006 -0.786 2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.579 -2.098 3.071 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.699 -0.812 2.560 1.00 0.00 H new ATOM 709 N LYS A 48 -10.057 0.965 4.938 1.00 0.00 N ATOM 710 CA LYS A 48 -11.436 1.334 4.662 1.00 0.00 C ATOM 711 C LYS A 48 -11.495 2.127 3.355 1.00 0.00 C ATOM 712 O LYS A 48 -10.498 2.709 2.933 1.00 0.00 O ATOM 713 CB LYS A 48 -12.042 2.072 5.858 1.00 0.00 C ATOM 714 CG LYS A 48 -13.209 1.282 6.455 1.00 0.00 C ATOM 715 CD LYS A 48 -12.717 0.298 7.518 1.00 0.00 C ATOM 716 CE LYS A 48 -12.127 1.038 8.720 1.00 0.00 C ATOM 717 NZ LYS A 48 -12.903 0.739 9.944 1.00 0.00 N ATOM 0 H LYS A 48 -9.432 1.752 5.115 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.049 0.443 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.277 2.229 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.387 3.057 5.545 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -13.930 1.970 6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.728 0.740 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -13.544 -0.333 7.845 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.964 -0.362 7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.087 0.744 8.861 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.132 2.112 8.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.489 1.249 10.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.889 1.041 9.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.876 -0.284 10.131 1.00 0.00 H new ATOM 731 N PRO A 49 -12.706 2.123 2.735 1.00 0.00 N ATOM 732 CA PRO A 49 -12.908 2.834 1.485 1.00 0.00 C ATOM 733 C PRO A 49 -12.995 4.344 1.721 1.00 0.00 C ATOM 734 O PRO A 49 -13.760 4.800 2.569 1.00 0.00 O ATOM 735 CB PRO A 49 -14.185 2.250 0.902 1.00 0.00 C ATOM 736 CG PRO A 49 -14.898 1.569 2.059 1.00 0.00 C ATOM 737 CD PRO A 49 -13.909 1.444 3.207 1.00 0.00 C ATOM 0 HA PRO A 49 -12.076 2.710 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.807 3.031 0.465 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.962 1.538 0.107 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -15.768 2.149 2.366 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -15.261 0.586 1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -14.295 1.908 4.115 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -13.707 0.399 3.444 1.00 0.00 H new ATOM 745 N GLY A 50 -12.200 5.077 0.955 1.00 0.00 N ATOM 746 CA GLY A 50 -12.177 6.525 1.070 1.00 0.00 C ATOM 747 C GLY A 50 -10.969 6.991 1.883 1.00 0.00 C ATOM 748 O GLY A 50 -10.882 8.159 2.259 1.00 0.00 O ATOM 0 H GLY A 50 -11.567 4.695 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -12.145 6.972 0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -13.095 6.870 1.546 1.00 0.00 H new ATOM 752 N GLU A 51 -10.065 6.055 2.131 1.00 0.00 N ATOM 753 CA GLU A 51 -8.865 6.355 2.893 1.00 0.00 C ATOM 754 C GLU A 51 -7.650 6.419 1.966 1.00 0.00 C ATOM 755 O GLU A 51 -7.743 6.074 0.789 1.00 0.00 O ATOM 756 CB GLU A 51 -8.652 5.328 4.007 1.00 0.00 C ATOM 757 CG GLU A 51 -7.769 5.901 5.119 1.00 0.00 C ATOM 758 CD GLU A 51 -8.244 5.427 6.494 1.00 0.00 C ATOM 759 OE1 GLU A 51 -9.475 5.461 6.712 1.00 0.00 O ATOM 760 OE2 GLU A 51 -7.366 5.043 7.296 1.00 0.00 O ATOM 0 H GLU A 51 -10.140 5.087 1.817 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.991 7.331 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.615 5.029 4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.189 4.431 3.596 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.735 5.594 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.788 6.990 5.079 1.00 0.00 H new ATOM 767 N SER A 52 -6.537 6.863 2.532 1.00 0.00 N ATOM 768 CA SER A 52 -5.304 6.976 1.771 1.00 0.00 C ATOM 769 C SER A 52 -4.179 6.221 2.481 1.00 0.00 C ATOM 770 O SER A 52 -3.961 6.405 3.678 1.00 0.00 O ATOM 771 CB SER A 52 -4.914 8.442 1.569 1.00 0.00 C ATOM 772 OG SER A 52 -4.182 8.957 2.678 1.00 0.00 O ATOM 0 H SER A 52 -6.463 7.149 3.508 1.00 0.00 H new ATOM 0 HA SER A 52 -5.467 6.532 0.789 1.00 0.00 H new ATOM 0 HB2 SER A 52 -4.315 8.536 0.664 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.813 9.039 1.419 1.00 0.00 H new ATOM 0 HG SER A 52 -3.950 9.894 2.510 1.00 0.00 H new ATOM 778 N LEU A 53 -3.494 5.386 1.714 1.00 0.00 N ATOM 779 CA LEU A 53 -2.397 4.601 2.255 1.00 0.00 C ATOM 780 C LEU A 53 -1.251 4.568 1.241 1.00 0.00 C ATOM 781 O LEU A 53 -1.446 4.883 0.068 1.00 0.00 O ATOM 782 CB LEU A 53 -2.886 3.214 2.675 1.00 0.00 C ATOM 783 CG LEU A 53 -1.842 2.303 3.325 1.00 0.00 C ATOM 784 CD1 LEU A 53 -1.326 2.906 4.632 1.00 0.00 C ATOM 785 CD2 LEU A 53 -2.396 0.891 3.524 1.00 0.00 C ATOM 0 H LEU A 53 -3.677 5.236 0.722 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.008 5.064 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.715 3.338 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.283 2.708 1.795 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.990 2.223 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.586 2.239 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.867 3.874 4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.157 3.036 5.326 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.635 0.263 3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.274 0.932 4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.675 0.470 2.558 1.00 0.00 H new ATOM 797 N GLU A 54 -0.082 4.183 1.730 1.00 0.00 N ATOM 798 CA GLU A 54 1.095 4.105 0.882 1.00 0.00 C ATOM 799 C GLU A 54 1.056 2.830 0.036 1.00 0.00 C ATOM 800 O GLU A 54 0.766 1.750 0.548 1.00 0.00 O ATOM 801 CB GLU A 54 2.377 4.171 1.714 1.00 0.00 C ATOM 802 CG GLU A 54 3.023 5.554 1.618 1.00 0.00 C ATOM 803 CD GLU A 54 2.780 6.363 2.894 1.00 0.00 C ATOM 804 OE1 GLU A 54 2.970 5.777 3.981 1.00 0.00 O ATOM 805 OE2 GLU A 54 2.410 7.549 2.752 1.00 0.00 O ATOM 0 H GLU A 54 0.076 3.922 2.703 1.00 0.00 H new ATOM 0 HA GLU A 54 1.092 4.964 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.151 3.943 2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.079 3.413 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.095 5.448 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.617 6.090 0.760 1.00 0.00 H new ATOM 812 N VAL A 55 1.351 2.998 -1.244 1.00 0.00 N ATOM 813 CA VAL A 55 1.353 1.875 -2.166 1.00 0.00 C ATOM 814 C VAL A 55 2.798 1.468 -2.465 1.00 0.00 C ATOM 815 O VAL A 55 3.629 2.314 -2.794 1.00 0.00 O ATOM 816 CB VAL A 55 0.559 2.229 -3.425 1.00 0.00 C ATOM 817 CG1 VAL A 55 1.107 1.487 -4.645 1.00 0.00 C ATOM 818 CG2 VAL A 55 -0.931 1.942 -3.232 1.00 0.00 C ATOM 0 H VAL A 55 1.591 3.896 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 55 0.858 1.013 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 55 0.674 3.298 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.525 1.756 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.150 1.763 -4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.037 0.412 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.472 2.202 -4.141 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.073 0.883 -3.016 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.311 2.536 -2.401 1.00 0.00 H new ATOM 828 N ILE A 56 3.053 0.174 -2.339 1.00 0.00 N ATOM 829 CA ILE A 56 4.382 -0.354 -2.591 1.00 0.00 C ATOM 830 C ILE A 56 4.488 -0.779 -4.058 1.00 0.00 C ATOM 831 O ILE A 56 4.001 -0.081 -4.946 1.00 0.00 O ATOM 832 CB ILE A 56 4.711 -1.474 -1.602 1.00 0.00 C ATOM 833 CG1 ILE A 56 4.356 -1.063 -0.171 1.00 0.00 C ATOM 834 CG2 ILE A 56 6.173 -1.906 -1.728 1.00 0.00 C ATOM 835 CD1 ILE A 56 4.948 -2.043 0.843 1.00 0.00 C ATOM 0 H ILE A 56 2.361 -0.524 -2.066 1.00 0.00 H new ATOM 0 HA ILE A 56 5.135 0.417 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 56 4.097 -2.340 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.731 -0.059 0.027 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.273 -1.027 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.380 -2.703 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.360 -2.267 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.823 -1.056 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 56 4.681 -1.728 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 56 4.552 -3.042 0.658 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.033 -2.059 0.743 1.00 0.00 H new ATOM 847 N GLN A 57 5.127 -1.920 -4.265 1.00 0.00 N ATOM 848 CA GLN A 57 5.303 -2.446 -5.609 1.00 0.00 C ATOM 849 C GLN A 57 4.193 -3.447 -5.936 1.00 0.00 C ATOM 850 O GLN A 57 3.587 -4.025 -5.035 1.00 0.00 O ATOM 851 CB GLN A 57 6.683 -3.085 -5.771 1.00 0.00 C ATOM 852 CG GLN A 57 7.774 -2.017 -5.868 1.00 0.00 C ATOM 853 CD GLN A 57 7.535 -1.097 -7.067 1.00 0.00 C ATOM 854 OE1 GLN A 57 7.233 0.077 -6.930 1.00 0.00 O ATOM 855 NE2 GLN A 57 7.686 -1.694 -8.246 1.00 0.00 N ATOM 0 H GLN A 57 5.530 -2.496 -3.525 1.00 0.00 H new ATOM 0 HA GLN A 57 5.238 -1.618 -6.314 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.886 -3.741 -4.924 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.697 -3.707 -6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.794 -1.428 -4.951 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.749 -2.495 -5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.940 -2.681 -8.289 1.00 0.00 H new ATOM 0 HE22 GLN A 57 7.548 -1.165 -9.107 1.00 0.00 H new ATOM 864 N THR A 58 3.960 -3.622 -7.229 1.00 0.00 N ATOM 865 CA THR A 58 2.933 -4.543 -7.686 1.00 0.00 C ATOM 866 C THR A 58 3.330 -5.985 -7.365 1.00 0.00 C ATOM 867 O THR A 58 4.392 -6.448 -7.778 1.00 0.00 O ATOM 868 CB THR A 58 2.706 -4.293 -9.179 1.00 0.00 C ATOM 869 OG1 THR A 58 4.017 -4.104 -9.703 1.00 0.00 O ATOM 870 CG2 THR A 58 2.001 -2.963 -9.449 1.00 0.00 C ATOM 0 H THR A 58 4.465 -3.142 -7.974 1.00 0.00 H new ATOM 0 HA THR A 58 1.990 -4.375 -7.166 1.00 0.00 H new ATOM 0 HB THR A 58 2.116 -5.108 -9.598 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.606 -4.816 -9.377 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.865 -2.835 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.029 -2.960 -8.957 1.00 0.00 H new ATOM 0 HG23 THR A 58 2.607 -2.145 -9.060 1.00 0.00 H new ATOM 878 N THR A 59 2.454 -6.656 -6.631 1.00 0.00 N ATOM 879 CA THR A 59 2.699 -8.037 -6.249 1.00 0.00 C ATOM 880 C THR A 59 2.965 -8.893 -7.489 1.00 0.00 C ATOM 881 O THR A 59 4.106 -9.263 -7.760 1.00 0.00 O ATOM 882 CB THR A 59 1.506 -8.518 -5.422 1.00 0.00 C ATOM 883 OG1 THR A 59 1.809 -8.095 -4.096 1.00 0.00 O ATOM 884 CG2 THR A 59 1.439 -10.043 -5.322 1.00 0.00 C ATOM 0 H THR A 59 1.574 -6.269 -6.291 1.00 0.00 H new ATOM 0 HA THR A 59 3.594 -8.125 -5.634 1.00 0.00 H new ATOM 0 HB THR A 59 0.583 -8.143 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.129 -8.439 -3.480 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.574 -10.331 -4.725 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.348 -10.469 -6.321 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.347 -10.417 -4.849 1.00 0.00 H new ATOM 892 N ASP A 60 1.891 -9.184 -8.209 1.00 0.00 N ATOM 893 CA ASP A 60 1.994 -9.991 -9.413 1.00 0.00 C ATOM 894 C ASP A 60 1.861 -9.086 -10.640 1.00 0.00 C ATOM 895 O ASP A 60 2.853 -8.548 -11.129 1.00 0.00 O ATOM 896 CB ASP A 60 0.878 -11.036 -9.473 1.00 0.00 C ATOM 897 CG ASP A 60 0.640 -11.650 -10.854 1.00 0.00 C ATOM 898 OD1 ASP A 60 1.606 -11.653 -11.647 1.00 0.00 O ATOM 899 OD2 ASP A 60 -0.502 -12.101 -11.085 1.00 0.00 O ATOM 0 H ASP A 60 0.946 -8.875 -7.982 1.00 0.00 H new ATOM 0 HA ASP A 60 2.960 -10.496 -9.400 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.113 -11.837 -8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.049 -10.575 -9.132 1.00 0.00 H new ATOM 904 N ASP A 61 0.627 -8.946 -11.101 1.00 0.00 N ATOM 905 CA ASP A 61 0.351 -8.116 -12.262 1.00 0.00 C ATOM 906 C ASP A 61 -0.563 -6.960 -11.851 1.00 0.00 C ATOM 907 O ASP A 61 -0.217 -5.795 -12.039 1.00 0.00 O ATOM 908 CB ASP A 61 -0.361 -8.916 -13.354 1.00 0.00 C ATOM 909 CG ASP A 61 0.324 -8.895 -14.722 1.00 0.00 C ATOM 910 OD1 ASP A 61 1.435 -8.325 -14.792 1.00 0.00 O ATOM 911 OD2 ASP A 61 -0.278 -9.448 -15.668 1.00 0.00 O ATOM 0 H ASP A 61 -0.193 -9.393 -10.692 1.00 0.00 H new ATOM 0 HA ASP A 61 1.302 -7.747 -12.647 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.450 -9.951 -13.025 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.374 -8.528 -13.466 1.00 0.00 H new ATOM 916 N THR A 62 -1.711 -7.323 -11.298 1.00 0.00 N ATOM 917 CA THR A 62 -2.677 -6.330 -10.859 1.00 0.00 C ATOM 918 C THR A 62 -2.890 -6.425 -9.347 1.00 0.00 C ATOM 919 O THR A 62 -3.961 -6.824 -8.891 1.00 0.00 O ATOM 920 CB THR A 62 -3.960 -6.530 -11.668 1.00 0.00 C ATOM 921 OG1 THR A 62 -3.527 -7.205 -12.845 1.00 0.00 O ATOM 922 CG2 THR A 62 -4.537 -5.210 -12.186 1.00 0.00 C ATOM 0 H THR A 62 -1.994 -8.291 -11.144 1.00 0.00 H new ATOM 0 HA THR A 62 -2.315 -5.318 -11.041 1.00 0.00 H new ATOM 0 HB THR A 62 -4.704 -7.034 -11.050 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.297 -7.376 -13.426 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.446 -5.408 -12.753 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.770 -4.559 -11.343 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.806 -4.722 -12.831 1.00 0.00 H new ATOM 930 N LYS A 63 -1.853 -6.053 -8.611 1.00 0.00 N ATOM 931 CA LYS A 63 -1.913 -6.092 -7.160 1.00 0.00 C ATOM 932 C LYS A 63 -0.898 -5.102 -6.585 1.00 0.00 C ATOM 933 O LYS A 63 0.273 -5.119 -6.962 1.00 0.00 O ATOM 934 CB LYS A 63 -1.730 -7.524 -6.654 1.00 0.00 C ATOM 935 CG LYS A 63 -1.645 -7.559 -5.126 1.00 0.00 C ATOM 936 CD LYS A 63 -3.038 -7.657 -4.501 1.00 0.00 C ATOM 937 CE LYS A 63 -3.422 -9.115 -4.243 1.00 0.00 C ATOM 938 NZ LYS A 63 -4.366 -9.209 -3.107 1.00 0.00 N ATOM 0 H LYS A 63 -0.966 -5.723 -8.993 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.897 -5.779 -6.811 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.563 -8.141 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.823 -7.952 -7.082 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.041 -8.410 -4.811 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.143 -6.661 -4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.060 -7.100 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.771 -7.196 -5.163 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.876 -9.541 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.528 -9.701 -4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.910 -9.709 -2.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.638 -8.253 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.215 -9.732 -3.403 1.00 0.00 H new ATOM 952 N VAL A 64 -1.383 -4.263 -5.682 1.00 0.00 N ATOM 953 CA VAL A 64 -0.532 -3.268 -5.051 1.00 0.00 C ATOM 954 C VAL A 64 -0.545 -3.479 -3.536 1.00 0.00 C ATOM 955 O VAL A 64 -1.609 -3.529 -2.921 1.00 0.00 O ATOM 956 CB VAL A 64 -0.977 -1.863 -5.463 1.00 0.00 C ATOM 957 CG1 VAL A 64 -1.229 -1.788 -6.970 1.00 0.00 C ATOM 958 CG2 VAL A 64 -2.215 -1.428 -4.677 1.00 0.00 C ATOM 0 H VAL A 64 -2.355 -4.251 -5.372 1.00 0.00 H new ATOM 0 HA VAL A 64 0.499 -3.379 -5.386 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.169 -1.172 -5.224 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.544 -0.779 -7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.312 -2.035 -7.505 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.011 -2.496 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.511 -0.426 -4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.032 -2.124 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.986 -1.424 -3.611 1.00 0.00 H new ATOM 968 N LEU A 65 0.651 -3.598 -2.977 1.00 0.00 N ATOM 969 CA LEU A 65 0.791 -3.803 -1.545 1.00 0.00 C ATOM 970 C LEU A 65 0.831 -2.444 -0.842 1.00 0.00 C ATOM 971 O LEU A 65 1.689 -1.614 -1.137 1.00 0.00 O ATOM 972 CB LEU A 65 2.003 -4.686 -1.246 1.00 0.00 C ATOM 973 CG LEU A 65 2.916 -4.212 -0.113 1.00 0.00 C ATOM 974 CD1 LEU A 65 2.323 -4.565 1.252 1.00 0.00 C ATOM 975 CD2 LEU A 65 4.332 -4.764 -0.283 1.00 0.00 C ATOM 0 H LEU A 65 1.532 -3.556 -3.490 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.071 -4.342 -1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.647 -5.687 -1.004 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.599 -4.770 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 65 2.986 -3.125 -0.162 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.991 -4.217 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.351 -4.084 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.204 -5.646 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.960 -4.412 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.301 -5.854 -0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.745 -4.420 -1.231 1.00 0.00 H new ATOM 987 N CYS A 66 -0.107 -2.261 0.075 1.00 0.00 N ATOM 988 CA CYS A 66 -0.190 -1.017 0.823 1.00 0.00 C ATOM 989 C CYS A 66 0.615 -1.179 2.114 1.00 0.00 C ATOM 990 O CYS A 66 0.803 -2.295 2.597 1.00 0.00 O ATOM 991 CB CYS A 66 -1.641 -0.619 1.101 1.00 0.00 C ATOM 992 SG CYS A 66 -2.676 -0.961 -0.369 1.00 0.00 S ATOM 0 H CYS A 66 -0.816 -2.953 0.318 1.00 0.00 H new ATOM 0 HA CYS A 66 0.233 -0.205 0.231 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.020 -1.172 1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.694 0.440 1.355 1.00 0.00 H new ATOM 0 HG CYS A 66 -3.852 -0.432 -0.204 1.00 0.00 H new ATOM 998 N ARG A 67 1.068 -0.049 2.637 1.00 0.00 N ATOM 999 CA ARG A 67 1.848 -0.052 3.863 1.00 0.00 C ATOM 1000 C ARG A 67 1.394 1.083 4.783 1.00 0.00 C ATOM 1001 O ARG A 67 1.062 2.171 4.315 1.00 0.00 O ATOM 1002 CB ARG A 67 3.341 0.107 3.566 1.00 0.00 C ATOM 1003 CG ARG A 67 4.184 -0.726 4.534 1.00 0.00 C ATOM 1004 CD ARG A 67 5.597 -0.153 4.662 1.00 0.00 C ATOM 1005 NE ARG A 67 6.121 -0.400 6.024 1.00 0.00 N ATOM 1006 CZ ARG A 67 7.102 0.327 6.601 1.00 0.00 C ATOM 1007 NH1 ARG A 67 7.674 1.354 5.937 1.00 0.00 N ATOM 1008 NH2 ARG A 67 7.493 0.018 7.823 1.00 0.00 N ATOM 0 H ARG A 67 0.910 0.875 2.234 1.00 0.00 H new ATOM 0 HA ARG A 67 1.688 -1.011 4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.546 -0.202 2.541 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.621 1.157 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 67 3.706 -0.747 5.513 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.236 -1.757 4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.253 -0.612 3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.584 0.917 4.457 1.00 0.00 H new ATOM 0 HE ARG A 67 5.716 -1.167 6.560 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.366 1.586 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.414 1.898 6.380 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.056 -0.760 8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 67 8.233 0.557 8.273 1.00 0.00 H new ATOM 1022 N ASN A 68 1.394 0.790 6.075 1.00 0.00 N ATOM 1023 CA ASN A 68 0.987 1.772 7.065 1.00 0.00 C ATOM 1024 C ASN A 68 2.142 2.021 8.037 1.00 0.00 C ATOM 1025 O ASN A 68 2.941 1.123 8.300 1.00 0.00 O ATOM 1026 CB ASN A 68 -0.213 1.274 7.874 1.00 0.00 C ATOM 1027 CG ASN A 68 -0.183 -0.249 8.018 1.00 0.00 C ATOM 1028 OD1 ASN A 68 0.065 -0.982 7.075 1.00 0.00 O ATOM 1029 ND2 ASN A 68 -0.448 -0.681 9.247 1.00 0.00 N ATOM 0 H ASN A 68 1.670 -0.114 6.459 1.00 0.00 H new ATOM 0 HA ASN A 68 0.713 2.687 6.539 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -0.208 1.736 8.861 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.138 1.578 7.384 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -0.452 -1.681 9.446 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.647 -0.012 9.991 1.00 0.00 H new ATOM 1036 N GLU A 69 2.194 3.243 8.545 1.00 0.00 N ATOM 1037 CA GLU A 69 3.238 3.621 9.482 1.00 0.00 C ATOM 1038 C GLU A 69 3.266 2.651 10.665 1.00 0.00 C ATOM 1039 O GLU A 69 4.249 2.593 11.402 1.00 0.00 O ATOM 1040 CB GLU A 69 3.051 5.062 9.960 1.00 0.00 C ATOM 1041 CG GLU A 69 4.402 5.732 10.223 1.00 0.00 C ATOM 1042 CD GLU A 69 5.154 5.024 11.351 1.00 0.00 C ATOM 1043 OE1 GLU A 69 4.752 5.227 12.517 1.00 0.00 O ATOM 1044 OE2 GLU A 69 6.115 4.295 11.022 1.00 0.00 O ATOM 0 H GLU A 69 1.529 3.985 8.325 1.00 0.00 H new ATOM 0 HA GLU A 69 4.198 3.565 8.968 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.500 5.629 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.452 5.072 10.871 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.003 5.716 9.314 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.248 6.779 10.485 1.00 0.00 H new ATOM 1051 N GLU A 70 2.176 1.912 10.809 1.00 0.00 N ATOM 1052 CA GLU A 70 2.063 0.947 11.889 1.00 0.00 C ATOM 1053 C GLU A 70 3.186 -0.088 11.796 1.00 0.00 C ATOM 1054 O GLU A 70 3.372 -0.891 12.709 1.00 0.00 O ATOM 1055 CB GLU A 70 0.691 0.270 11.878 1.00 0.00 C ATOM 1056 CG GLU A 70 0.278 -0.154 13.289 1.00 0.00 C ATOM 1057 CD GLU A 70 -0.254 1.038 14.087 1.00 0.00 C ATOM 1058 OE1 GLU A 70 -0.925 1.887 13.460 1.00 0.00 O ATOM 1059 OE2 GLU A 70 0.023 1.075 15.305 1.00 0.00 O ATOM 0 H GLU A 70 1.363 1.962 10.195 1.00 0.00 H new ATOM 0 HA GLU A 70 2.162 1.478 12.836 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.052 0.953 11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.717 -0.602 11.225 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.488 -0.928 13.230 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.133 -0.590 13.806 1.00 0.00 H new ATOM 1066 N GLY A 71 3.905 -0.036 10.684 1.00 0.00 N ATOM 1067 CA GLY A 71 5.004 -0.959 10.460 1.00 0.00 C ATOM 1068 C GLY A 71 4.489 -2.325 10.003 1.00 0.00 C ATOM 1069 O GLY A 71 5.194 -3.327 10.113 1.00 0.00 O ATOM 0 H GLY A 71 3.748 0.631 9.929 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.679 -0.551 9.708 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.581 -1.072 11.378 1.00 0.00 H new ATOM 1073 N LYS A 72 3.263 -2.322 9.501 1.00 0.00 N ATOM 1074 CA LYS A 72 2.644 -3.549 9.027 1.00 0.00 C ATOM 1075 C LYS A 72 2.331 -3.414 7.536 1.00 0.00 C ATOM 1076 O LYS A 72 2.036 -2.321 7.056 1.00 0.00 O ATOM 1077 CB LYS A 72 1.425 -3.899 9.882 1.00 0.00 C ATOM 1078 CG LYS A 72 0.750 -5.176 9.378 1.00 0.00 C ATOM 1079 CD LYS A 72 -0.562 -4.856 8.659 1.00 0.00 C ATOM 1080 CE LYS A 72 -1.766 -5.288 9.498 1.00 0.00 C ATOM 1081 NZ LYS A 72 -1.881 -4.448 10.711 1.00 0.00 N ATOM 0 H LYS A 72 2.681 -1.489 9.412 1.00 0.00 H new ATOM 0 HA LYS A 72 3.331 -4.388 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.730 -4.030 10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.713 -3.074 9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 72 1.421 -5.703 8.700 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.555 -5.844 10.217 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.619 -3.786 8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.585 -5.363 7.694 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.677 -5.208 8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.662 -6.335 9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -2.732 -4.721 11.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.041 -4.584 11.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.951 -3.448 10.435 1.00 0.00 H new ATOM 1095 N TYR A 73 2.406 -4.541 6.844 1.00 0.00 N ATOM 1096 CA TYR A 73 2.135 -4.563 5.417 1.00 0.00 C ATOM 1097 C TYR A 73 0.920 -5.439 5.103 1.00 0.00 C ATOM 1098 O TYR A 73 0.563 -6.316 5.888 1.00 0.00 O ATOM 1099 CB TYR A 73 3.374 -5.176 4.761 1.00 0.00 C ATOM 1100 CG TYR A 73 4.634 -4.319 4.889 1.00 0.00 C ATOM 1101 CD1 TYR A 73 5.221 -4.134 6.124 1.00 0.00 C ATOM 1102 CD2 TYR A 73 5.184 -3.730 3.769 1.00 0.00 C ATOM 1103 CE1 TYR A 73 6.407 -3.327 6.245 1.00 0.00 C ATOM 1104 CE2 TYR A 73 6.371 -2.922 3.889 1.00 0.00 C ATOM 1105 CZ TYR A 73 6.924 -2.761 5.121 1.00 0.00 C ATOM 1106 OH TYR A 73 8.044 -1.999 5.235 1.00 0.00 O ATOM 0 H TYR A 73 2.651 -5.446 7.245 1.00 0.00 H new ATOM 0 HA TYR A 73 1.923 -3.558 5.052 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.564 -6.152 5.208 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.167 -5.344 3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.790 -4.595 7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.725 -3.875 2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.876 -3.174 7.206 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.811 -2.455 3.021 1.00 0.00 H new ATOM 0 HH TYR A 73 8.826 -2.580 5.335 1.00 0.00 H new ATOM 1116 N GLY A 74 0.318 -5.171 3.953 1.00 0.00 N ATOM 1117 CA GLY A 74 -0.849 -5.924 3.526 1.00 0.00 C ATOM 1118 C GLY A 74 -1.032 -5.838 2.010 1.00 0.00 C ATOM 1119 O GLY A 74 -0.505 -4.930 1.368 1.00 0.00 O ATOM 0 H GLY A 74 0.617 -4.443 3.304 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.743 -6.967 3.824 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.738 -5.539 4.026 1.00 0.00 H new ATOM 1123 N TYR A 75 -1.781 -6.794 1.481 1.00 0.00 N ATOM 1124 CA TYR A 75 -2.041 -6.837 0.052 1.00 0.00 C ATOM 1125 C TYR A 75 -3.452 -6.339 -0.264 1.00 0.00 C ATOM 1126 O TYR A 75 -4.347 -6.424 0.575 1.00 0.00 O ATOM 1127 CB TYR A 75 -1.930 -8.309 -0.352 1.00 0.00 C ATOM 1128 CG TYR A 75 -0.492 -8.790 -0.559 1.00 0.00 C ATOM 1129 CD1 TYR A 75 0.399 -8.015 -1.273 1.00 0.00 C ATOM 1130 CD2 TYR A 75 -0.087 -10.000 -0.033 1.00 0.00 C ATOM 1131 CE1 TYR A 75 1.752 -8.468 -1.468 1.00 0.00 C ATOM 1132 CE2 TYR A 75 1.265 -10.453 -0.228 1.00 0.00 C ATOM 1133 CZ TYR A 75 2.118 -9.665 -0.936 1.00 0.00 C ATOM 1134 OH TYR A 75 3.396 -10.093 -1.120 1.00 0.00 O ATOM 0 H TYR A 75 -2.216 -7.545 2.016 1.00 0.00 H new ATOM 0 HA TYR A 75 -1.337 -6.201 -0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.401 -8.923 0.416 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.491 -8.466 -1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.082 -7.069 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.785 -10.607 0.525 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.460 -7.871 -2.024 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.595 -11.398 0.179 1.00 0.00 H new ATOM 0 HH TYR A 75 3.826 -10.223 -0.249 1.00 0.00 H new ATOM 1144 N VAL A 76 -3.608 -5.830 -1.478 1.00 0.00 N ATOM 1145 CA VAL A 76 -4.895 -5.318 -1.915 1.00 0.00 C ATOM 1146 C VAL A 76 -5.093 -5.646 -3.396 1.00 0.00 C ATOM 1147 O VAL A 76 -4.243 -5.326 -4.226 1.00 0.00 O ATOM 1148 CB VAL A 76 -4.992 -3.820 -1.617 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -6.442 -3.338 -1.696 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -4.378 -3.492 -0.255 1.00 0.00 C ATOM 0 H VAL A 76 -2.864 -5.762 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.704 -5.798 -1.364 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.421 -3.289 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.483 -2.270 -1.480 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.832 -3.521 -2.697 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.045 -3.879 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.460 -2.421 -0.067 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.909 -4.039 0.525 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.327 -3.782 -0.250 1.00 0.00 H new ATOM 1160 N LEU A 77 -6.220 -6.282 -3.683 1.00 0.00 N ATOM 1161 CA LEU A 77 -6.540 -6.657 -5.050 1.00 0.00 C ATOM 1162 C LEU A 77 -6.895 -5.402 -5.849 1.00 0.00 C ATOM 1163 O LEU A 77 -7.536 -4.490 -5.328 1.00 0.00 O ATOM 1164 CB LEU A 77 -7.633 -7.728 -5.069 1.00 0.00 C ATOM 1165 CG LEU A 77 -7.471 -8.832 -6.115 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -8.802 -9.539 -6.377 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -6.852 -8.283 -7.402 1.00 0.00 C ATOM 0 H LEU A 77 -6.922 -6.547 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.674 -7.109 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.677 -8.192 -4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.592 -7.237 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.782 -9.578 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.659 -10.319 -7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.165 -9.986 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.532 -8.817 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.748 -9.089 -8.128 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.496 -7.505 -7.813 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.870 -7.863 -7.183 1.00 0.00 H new ATOM 1179 N ARG A 78 -6.463 -5.395 -7.102 1.00 0.00 N ATOM 1180 CA ARG A 78 -6.727 -4.266 -7.978 1.00 0.00 C ATOM 1181 C ARG A 78 -8.234 -4.038 -8.111 1.00 0.00 C ATOM 1182 O ARG A 78 -8.671 -2.950 -8.481 1.00 0.00 O ATOM 1183 CB ARG A 78 -6.129 -4.496 -9.367 1.00 0.00 C ATOM 1184 CG ARG A 78 -6.999 -5.449 -10.188 1.00 0.00 C ATOM 1185 CD ARG A 78 -7.550 -4.753 -11.435 1.00 0.00 C ATOM 1186 NE ARG A 78 -8.598 -3.782 -11.050 1.00 0.00 N ATOM 1187 CZ ARG A 78 -8.405 -2.448 -10.981 1.00 0.00 C ATOM 1188 NH1 ARG A 78 -7.199 -1.914 -11.270 1.00 0.00 N ATOM 1189 NH2 ARG A 78 -9.413 -1.673 -10.625 1.00 0.00 N ATOM 0 H ARG A 78 -5.932 -6.153 -7.531 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.261 -3.386 -7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.035 -3.543 -9.888 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.124 -4.907 -9.271 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.413 -6.320 -10.482 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.824 -5.812 -9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.745 -4.242 -11.962 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.962 -5.492 -12.122 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.524 -4.143 -10.823 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.425 -2.520 -11.543 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.062 -0.905 -11.215 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.321 -2.085 -10.407 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.284 -0.663 -10.568 1.00 0.00 H new ATOM 1203 N SER A 79 -8.988 -5.083 -7.801 1.00 0.00 N ATOM 1204 CA SER A 79 -10.437 -5.011 -7.881 1.00 0.00 C ATOM 1205 C SER A 79 -10.935 -3.734 -7.201 1.00 0.00 C ATOM 1206 O SER A 79 -11.606 -2.914 -7.827 1.00 0.00 O ATOM 1207 CB SER A 79 -11.086 -6.240 -7.243 1.00 0.00 C ATOM 1208 OG SER A 79 -12.484 -6.059 -7.036 1.00 0.00 O ATOM 0 H SER A 79 -8.622 -5.984 -7.494 1.00 0.00 H new ATOM 0 HA SER A 79 -10.721 -4.990 -8.933 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.924 -7.108 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 79 -10.603 -6.451 -6.289 1.00 0.00 H new ATOM 0 HG SER A 79 -12.862 -6.866 -6.628 1.00 0.00 H new ATOM 1214 N TYR A 80 -10.588 -3.605 -5.929 1.00 0.00 N ATOM 1215 CA TYR A 80 -10.992 -2.442 -5.157 1.00 0.00 C ATOM 1216 C TYR A 80 -9.775 -1.624 -4.721 1.00 0.00 C ATOM 1217 O TYR A 80 -9.270 -1.798 -3.613 1.00 0.00 O ATOM 1218 CB TYR A 80 -11.699 -2.985 -3.914 1.00 0.00 C ATOM 1219 CG TYR A 80 -10.980 -4.164 -3.255 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -9.974 -3.934 -2.339 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -11.338 -5.458 -3.577 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -9.297 -5.044 -1.719 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -10.661 -6.567 -2.956 1.00 0.00 C ATOM 1224 CZ TYR A 80 -9.674 -6.305 -2.058 1.00 0.00 C ATOM 1225 OH TYR A 80 -9.035 -7.353 -1.472 1.00 0.00 O ATOM 0 H TYR A 80 -10.031 -4.287 -5.413 1.00 0.00 H new ATOM 0 HA TYR A 80 -11.633 -1.791 -5.751 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -11.800 -2.181 -3.185 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -12.707 -3.295 -4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.694 -2.922 -2.087 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -12.125 -5.638 -4.294 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -8.508 -4.878 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -10.931 -7.584 -3.198 1.00 0.00 H new ATOM 0 HH TYR A 80 -8.272 -7.022 -0.953 1.00 0.00 H new ATOM 1235 N LEU A 81 -9.339 -0.749 -5.615 1.00 0.00 N ATOM 1236 CA LEU A 81 -8.191 0.097 -5.337 1.00 0.00 C ATOM 1237 C LEU A 81 -8.177 1.270 -6.318 1.00 0.00 C ATOM 1238 O LEU A 81 -9.037 1.364 -7.192 1.00 0.00 O ATOM 1239 CB LEU A 81 -6.903 -0.728 -5.347 1.00 0.00 C ATOM 1240 CG LEU A 81 -6.006 -0.588 -4.115 1.00 0.00 C ATOM 1241 CD1 LEU A 81 -5.028 -1.760 -4.011 1.00 0.00 C ATOM 1242 CD2 LEU A 81 -5.286 0.762 -4.112 1.00 0.00 C ATOM 0 H LEU A 81 -9.760 -0.608 -6.533 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.264 0.520 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.169 -1.779 -5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.324 -0.449 -6.227 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.638 -0.618 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.403 -1.635 -3.127 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.586 -2.693 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.398 -1.788 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.655 0.836 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.668 0.847 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.021 1.567 -4.102 1.00 0.00 H new ATOM 1254 N ALA A 82 -7.190 2.137 -6.141 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.053 3.300 -7.000 1.00 0.00 C ATOM 1256 C ALA A 82 -6.209 2.930 -8.222 1.00 0.00 C ATOM 1257 O ALA A 82 -5.720 1.806 -8.326 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.446 4.456 -6.202 1.00 0.00 C ATOM 0 H ALA A 82 -6.478 2.057 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.028 3.628 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.343 5.329 -6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.097 4.700 -5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.465 4.164 -5.828 1.00 0.00 H new ATOM 1264 N ASP A 83 -6.065 3.897 -9.117 1.00 0.00 N ATOM 1265 CA ASP A 83 -5.290 3.686 -10.327 1.00 0.00 C ATOM 1266 C ASP A 83 -3.902 3.161 -9.954 1.00 0.00 C ATOM 1267 O ASP A 83 -3.542 3.131 -8.778 1.00 0.00 O ATOM 1268 CB ASP A 83 -5.108 4.995 -11.099 1.00 0.00 C ATOM 1269 CG ASP A 83 -5.986 5.139 -12.344 1.00 0.00 C ATOM 1270 OD1 ASP A 83 -6.994 4.402 -12.416 1.00 0.00 O ATOM 1271 OD2 ASP A 83 -5.630 5.982 -13.195 1.00 0.00 O ATOM 0 H ASP A 83 -6.472 4.828 -9.028 1.00 0.00 H new ATOM 0 HA ASP A 83 -5.826 2.970 -10.950 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -5.317 5.828 -10.427 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -4.063 5.081 -11.398 1.00 0.00 H new TER 1276 ASP A 83