USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 669 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 110 THR OG1 : rot -132:sc= 0.64 USER MOD Set 1.2: A 113 GLN : amide:sc= 0.736 K(o=1.4,f=-1.4) USER MOD Set 2.1: A 58 HIS : no HD1:sc= -0.364 K(o=-3.4,f=-4.5) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -3.04! C(o=-3.4!,f=-3.9!) USER MOD Set 3.1: A 53 ASN : amide:sc= -0.0988 K(o=-0.093,f=-0.91) USER MOD Set 3.2: A 55 SER OG : rot -150:sc= 0.00565 USER MOD Single : A 38 THR OG1 : rot 77:sc= 0.722 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -53:sc= 1.32 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 170:sc= 0 USER MOD Single : A 74 SER OG : rot 100:sc= 0.671 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0867 USER MOD Single : A 84 GLN : amide:sc= 0.678 K(o=0.68,f=-6.1!) USER MOD Single : A 86 HIS : no HE2:sc= 0.233 K(o=0.23,f=-3.3!) USER MOD Single : A 90 HIS : no HE2:sc= -0.0811 K(o=-0.081,f=-1.2) USER MOD Single : A 102 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 ASN : amide:sc= 0.984 K(o=0.98,f=-0.0019) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 0.412 11.826 8.051 1.00 2.22 N ATOM 2 CA PRO A 31 0.775 11.437 6.700 1.00 1.92 C ATOM 3 C PRO A 31 -0.288 10.569 6.020 1.00 1.45 C ATOM 4 O PRO A 31 -0.987 9.770 6.661 1.00 1.31 O ATOM 5 CB PRO A 31 2.111 10.691 6.811 1.00 2.21 C ATOM 6 CG PRO A 31 2.685 11.164 8.144 1.00 2.70 C ATOM 7 CD PRO A 31 1.437 11.399 8.990 1.00 2.55 C ATOM 0 HA PRO A 31 0.858 12.322 6.070 1.00 1.92 H new ATOM 0 HB2 PRO A 31 1.968 9.611 6.798 1.00 2.21 H new ATOM 0 HB3 PRO A 31 2.775 10.934 5.981 1.00 2.21 H new ATOM 0 HG2 PRO A 31 3.340 10.415 8.590 1.00 2.70 H new ATOM 0 HG3 PRO A 31 3.273 12.075 8.030 1.00 2.70 H new ATOM 0 HD2 PRO A 31 1.138 10.490 9.512 1.00 2.55 H new ATOM 0 HD3 PRO A 31 1.615 12.159 9.751 1.00 2.55 H new ATOM 15 N VAL A 32 -0.284 10.618 4.687 1.00 1.38 N ATOM 16 CA VAL A 32 -1.027 9.694 3.811 1.00 1.31 C ATOM 17 C VAL A 32 -0.727 8.224 4.137 1.00 1.10 C ATOM 18 O VAL A 32 -1.584 7.359 3.991 1.00 0.95 O ATOM 19 CB VAL A 32 -0.724 10.016 2.330 1.00 1.49 C ATOM 20 CG1 VAL A 32 0.757 9.881 1.946 1.00 3.11 C ATOM 21 CG2 VAL A 32 -1.523 9.109 1.394 1.00 1.84 C ATOM 0 H VAL A 32 0.248 11.317 4.168 1.00 1.38 H new ATOM 0 HA VAL A 32 -2.092 9.840 3.991 1.00 1.31 H new ATOM 0 HB VAL A 32 -1.013 11.061 2.217 1.00 1.49 H new ATOM 0 HG11 VAL A 32 0.883 10.124 0.891 1.00 3.11 H new ATOM 0 HG12 VAL A 32 1.353 10.565 2.550 1.00 3.11 H new ATOM 0 HG13 VAL A 32 1.087 8.858 2.124 1.00 3.11 H new ATOM 0 HG21 VAL A 32 -1.290 9.358 0.359 1.00 1.84 H new ATOM 0 HG22 VAL A 32 -1.261 8.068 1.585 1.00 1.84 H new ATOM 0 HG23 VAL A 32 -2.589 9.253 1.570 1.00 1.84 H new ATOM 31 N GLU A 33 0.466 7.952 4.664 1.00 1.13 N ATOM 32 CA GLU A 33 0.940 6.624 5.059 1.00 0.99 C ATOM 33 C GLU A 33 0.186 6.104 6.307 1.00 0.89 C ATOM 34 O GLU A 33 -0.151 4.925 6.408 1.00 0.82 O ATOM 35 CB GLU A 33 2.490 6.673 5.169 1.00 1.05 C ATOM 36 CG GLU A 33 3.052 6.596 6.588 1.00 1.36 C ATOM 37 CD GLU A 33 4.580 6.743 6.709 1.00 1.84 C ATOM 38 OE1 GLU A 33 5.241 7.415 5.883 1.00 2.30 O ATOM 39 OE2 GLU A 33 5.141 6.218 7.704 1.00 2.84 O ATOM 0 H GLU A 33 1.159 8.681 4.835 1.00 1.13 H new ATOM 0 HA GLU A 33 0.708 5.874 4.303 1.00 0.99 H new ATOM 0 HB2 GLU A 33 2.904 5.849 4.588 1.00 1.05 H new ATOM 0 HB3 GLU A 33 2.840 7.596 4.708 1.00 1.05 H new ATOM 0 HG2 GLU A 33 2.582 7.375 7.188 1.00 1.36 H new ATOM 0 HG3 GLU A 33 2.762 5.640 7.023 1.00 1.36 H new ATOM 46 N ALA A 34 -0.181 7.005 7.220 1.00 0.94 N ATOM 47 CA ALA A 34 -0.978 6.706 8.405 1.00 0.93 C ATOM 48 C ALA A 34 -2.492 6.666 8.095 1.00 0.91 C ATOM 49 O ALA A 34 -3.225 5.820 8.630 1.00 0.89 O ATOM 50 CB ALA A 34 -0.572 7.716 9.473 1.00 1.07 C ATOM 0 H ALA A 34 0.077 7.990 7.151 1.00 0.94 H new ATOM 0 HA ALA A 34 -0.779 5.701 8.778 1.00 0.93 H new ATOM 0 HB1 ALA A 34 -1.143 7.533 10.383 1.00 1.07 H new ATOM 0 HB2 ALA A 34 0.492 7.613 9.686 1.00 1.07 H new ATOM 0 HB3 ALA A 34 -0.774 8.725 9.115 1.00 1.07 H new ATOM 56 N ALA A 35 -2.948 7.515 7.162 1.00 0.99 N ATOM 57 CA ALA A 35 -4.299 7.408 6.601 1.00 1.06 C ATOM 58 C ALA A 35 -4.539 6.024 5.956 1.00 0.95 C ATOM 59 O ALA A 35 -5.420 5.276 6.393 1.00 0.92 O ATOM 60 CB ALA A 35 -4.522 8.555 5.606 1.00 1.20 C ATOM 0 H ALA A 35 -2.398 8.284 6.781 1.00 0.99 H new ATOM 0 HA ALA A 35 -5.029 7.496 7.405 1.00 1.06 H new ATOM 0 HB1 ALA A 35 -5.525 8.482 5.185 1.00 1.20 H new ATOM 0 HB2 ALA A 35 -4.414 9.510 6.121 1.00 1.20 H new ATOM 0 HB3 ALA A 35 -3.786 8.490 4.804 1.00 1.20 H new ATOM 66 N ILE A 36 -3.701 5.631 4.986 1.00 0.96 N ATOM 67 CA ILE A 36 -3.821 4.327 4.317 1.00 0.99 C ATOM 68 C ILE A 36 -3.601 3.168 5.279 1.00 0.93 C ATOM 69 O ILE A 36 -4.351 2.201 5.208 1.00 0.94 O ATOM 70 CB ILE A 36 -2.893 4.216 3.100 1.00 1.12 C ATOM 71 CG1 ILE A 36 -3.292 3.027 2.207 1.00 1.40 C ATOM 72 CG2 ILE A 36 -1.417 4.125 3.481 1.00 1.68 C ATOM 73 CD1 ILE A 36 -2.405 2.828 0.978 1.00 1.57 C ATOM 0 H ILE A 36 -2.928 6.202 4.645 1.00 0.96 H new ATOM 0 HA ILE A 36 -4.847 4.262 3.954 1.00 0.99 H new ATOM 0 HB ILE A 36 -3.018 5.141 2.537 1.00 1.12 H new ATOM 0 HG12 ILE A 36 -3.270 2.116 2.806 1.00 1.40 H new ATOM 0 HG13 ILE A 36 -4.321 3.167 1.877 1.00 1.40 H new ATOM 0 HG21 ILE A 36 -0.812 4.049 2.578 1.00 1.68 H new ATOM 0 HG22 ILE A 36 -1.129 5.018 4.036 1.00 1.68 H new ATOM 0 HG23 ILE A 36 -1.255 3.244 4.102 1.00 1.68 H new ATOM 0 HD11 ILE A 36 -2.760 1.969 0.408 1.00 1.57 H new ATOM 0 HD12 ILE A 36 -2.445 3.720 0.352 1.00 1.57 H new ATOM 0 HD13 ILE A 36 -1.377 2.653 1.296 1.00 1.57 H new ATOM 85 N ARG A 37 -2.650 3.274 6.222 1.00 0.91 N ATOM 86 CA ARG A 37 -2.551 2.307 7.337 1.00 0.89 C ATOM 87 C ARG A 37 -3.923 2.076 7.976 1.00 0.90 C ATOM 88 O ARG A 37 -4.375 0.938 8.018 1.00 0.85 O ATOM 89 CB ARG A 37 -1.507 2.728 8.380 1.00 0.90 C ATOM 90 CG ARG A 37 -1.593 1.793 9.598 1.00 1.51 C ATOM 91 CD ARG A 37 -0.450 1.975 10.590 1.00 1.92 C ATOM 92 NE ARG A 37 -0.467 3.284 11.266 1.00 2.77 N ATOM 93 CZ ARG A 37 -1.316 3.704 12.187 1.00 4.01 C ATOM 94 NH1 ARG A 37 -2.327 3.017 12.632 1.00 4.83 N ATOM 95 NH2 ARG A 37 -1.153 4.883 12.693 1.00 5.08 N ATOM 0 H ARG A 37 -1.944 4.010 6.239 1.00 0.91 H new ATOM 0 HA ARG A 37 -2.207 1.361 6.919 1.00 0.89 H new ATOM 0 HB2 ARG A 37 -0.508 2.687 7.947 1.00 0.90 H new ATOM 0 HB3 ARG A 37 -1.680 3.760 8.687 1.00 0.90 H new ATOM 0 HG2 ARG A 37 -2.539 1.965 10.111 1.00 1.51 H new ATOM 0 HG3 ARG A 37 -1.601 0.759 9.252 1.00 1.51 H new ATOM 0 HD2 ARG A 37 -0.500 1.186 11.340 1.00 1.92 H new ATOM 0 HD3 ARG A 37 0.499 1.857 10.066 1.00 1.92 H new ATOM 0 HE ARG A 37 0.262 3.943 10.991 1.00 2.77 H new ATOM 0 HH11 ARG A 37 -2.509 2.082 12.267 1.00 4.83 H new ATOM 0 HH12 ARG A 37 -2.938 3.413 13.346 1.00 4.83 H new ATOM 0 HH21 ARG A 37 -0.380 5.470 12.380 1.00 5.08 H new ATOM 0 HH22 ARG A 37 -1.798 5.226 13.405 1.00 5.08 H new ATOM 109 N THR A 38 -4.609 3.136 8.406 1.00 0.96 N ATOM 110 CA THR A 38 -5.944 3.011 9.031 1.00 1.01 C ATOM 111 C THR A 38 -6.968 2.332 8.104 1.00 0.95 C ATOM 112 O THR A 38 -7.670 1.399 8.520 1.00 0.92 O ATOM 113 CB THR A 38 -6.478 4.384 9.470 1.00 1.23 C ATOM 114 OG1 THR A 38 -5.505 5.068 10.228 1.00 1.62 O ATOM 115 CG2 THR A 38 -7.713 4.250 10.359 1.00 1.22 C ATOM 0 H THR A 38 -4.269 4.095 8.337 1.00 0.96 H new ATOM 0 HA THR A 38 -5.813 2.375 9.907 1.00 1.01 H new ATOM 0 HB THR A 38 -6.728 4.926 8.558 1.00 1.23 H new ATOM 0 HG1 THR A 38 -4.818 5.429 9.629 1.00 1.62 H new ATOM 0 HG21 THR A 38 -8.062 5.241 10.649 1.00 1.22 H new ATOM 0 HG22 THR A 38 -8.501 3.734 9.811 1.00 1.22 H new ATOM 0 HG23 THR A 38 -7.458 3.679 11.252 1.00 1.22 H new ATOM 123 N LYS A 39 -7.021 2.759 6.833 1.00 0.97 N ATOM 124 CA LYS A 39 -7.942 2.207 5.819 1.00 1.02 C ATOM 125 C LYS A 39 -7.677 0.730 5.501 1.00 0.90 C ATOM 126 O LYS A 39 -8.627 -0.027 5.305 1.00 0.95 O ATOM 127 CB LYS A 39 -7.869 3.045 4.526 1.00 1.19 C ATOM 128 CG LYS A 39 -8.847 4.228 4.489 1.00 1.44 C ATOM 129 CD LYS A 39 -8.526 5.377 5.451 1.00 2.58 C ATOM 130 CE LYS A 39 -9.593 6.458 5.284 1.00 3.56 C ATOM 131 NZ LYS A 39 -9.607 7.409 6.417 1.00 5.19 N ATOM 0 H LYS A 39 -6.422 3.503 6.474 1.00 0.97 H new ATOM 0 HA LYS A 39 -8.944 2.261 6.245 1.00 1.02 H new ATOM 0 HB2 LYS A 39 -6.854 3.423 4.408 1.00 1.19 H new ATOM 0 HB3 LYS A 39 -8.069 2.396 3.673 1.00 1.19 H new ATOM 0 HG2 LYS A 39 -8.874 4.624 3.474 1.00 1.44 H new ATOM 0 HG3 LYS A 39 -9.847 3.858 4.713 1.00 1.44 H new ATOM 0 HD2 LYS A 39 -8.509 5.017 6.480 1.00 2.58 H new ATOM 0 HD3 LYS A 39 -7.537 5.784 5.239 1.00 2.58 H new ATOM 0 HE2 LYS A 39 -9.414 7.003 4.357 1.00 3.56 H new ATOM 0 HE3 LYS A 39 -10.573 5.988 5.194 1.00 3.56 H new ATOM 0 HZ1 LYS A 39 -10.346 8.124 6.261 1.00 5.19 H new ATOM 0 HZ2 LYS A 39 -9.804 6.895 7.299 1.00 5.19 H new ATOM 0 HZ3 LYS A 39 -8.681 7.878 6.488 1.00 5.19 H new ATOM 145 N LEU A 40 -6.416 0.306 5.442 1.00 0.79 N ATOM 146 CA LEU A 40 -6.010 -1.061 5.089 1.00 0.77 C ATOM 147 C LEU A 40 -6.042 -2.004 6.309 1.00 0.75 C ATOM 148 O LEU A 40 -6.424 -3.170 6.159 1.00 0.78 O ATOM 149 CB LEU A 40 -4.649 -1.011 4.368 1.00 0.80 C ATOM 150 CG LEU A 40 -4.668 -0.565 2.881 1.00 0.83 C ATOM 151 CD1 LEU A 40 -5.001 -1.728 1.947 1.00 1.01 C ATOM 152 CD2 LEU A 40 -5.635 0.566 2.499 1.00 1.17 C ATOM 0 H LEU A 40 -5.624 0.917 5.643 1.00 0.79 H new ATOM 0 HA LEU A 40 -6.731 -1.494 4.396 1.00 0.77 H new ATOM 0 HB2 LEU A 40 -3.996 -0.334 4.919 1.00 0.80 H new ATOM 0 HB3 LEU A 40 -4.198 -2.002 4.421 1.00 0.80 H new ATOM 0 HG LEU A 40 -3.653 -0.186 2.762 1.00 0.83 H new ATOM 0 HD11 LEU A 40 -5.005 -1.376 0.915 1.00 1.01 H new ATOM 0 HD12 LEU A 40 -4.252 -2.512 2.061 1.00 1.01 H new ATOM 0 HD13 LEU A 40 -5.984 -2.126 2.198 1.00 1.01 H new ATOM 0 HD21 LEU A 40 -5.546 0.777 1.433 1.00 1.17 H new ATOM 0 HD22 LEU A 40 -6.657 0.262 2.724 1.00 1.17 H new ATOM 0 HD23 LEU A 40 -5.389 1.463 3.068 1.00 1.17 H new ATOM 164 N GLU A 41 -5.768 -1.487 7.516 1.00 0.77 N ATOM 165 CA GLU A 41 -6.169 -2.117 8.785 1.00 0.83 C ATOM 166 C GLU A 41 -7.672 -2.441 8.762 1.00 0.87 C ATOM 167 O GLU A 41 -8.049 -3.570 9.083 1.00 0.95 O ATOM 168 CB GLU A 41 -5.898 -1.209 10.003 1.00 0.95 C ATOM 169 CG GLU A 41 -4.475 -1.215 10.580 1.00 1.57 C ATOM 170 CD GLU A 41 -4.433 -0.336 11.842 1.00 2.19 C ATOM 171 OE1 GLU A 41 -3.744 0.710 11.878 1.00 3.35 O ATOM 172 OE2 GLU A 41 -5.163 -0.634 12.823 1.00 2.60 O ATOM 0 H GLU A 41 -5.258 -0.613 7.641 1.00 0.77 H new ATOM 0 HA GLU A 41 -5.573 -3.024 8.884 1.00 0.83 H new ATOM 0 HB2 GLU A 41 -6.144 -0.185 9.722 1.00 0.95 H new ATOM 0 HB3 GLU A 41 -6.586 -1.496 10.798 1.00 0.95 H new ATOM 0 HG2 GLU A 41 -4.173 -2.234 10.823 1.00 1.57 H new ATOM 0 HG3 GLU A 41 -3.768 -0.841 9.839 1.00 1.57 H new ATOM 179 N GLU A 42 -8.526 -1.501 8.327 1.00 0.89 N ATOM 180 CA GLU A 42 -9.959 -1.755 8.166 1.00 0.97 C ATOM 181 C GLU A 42 -10.283 -2.770 7.054 1.00 1.03 C ATOM 182 O GLU A 42 -11.141 -3.633 7.237 1.00 1.19 O ATOM 183 CB GLU A 42 -10.686 -0.418 7.923 1.00 1.07 C ATOM 184 CG GLU A 42 -12.002 -0.313 8.693 1.00 1.53 C ATOM 185 CD GLU A 42 -13.037 -1.375 8.297 1.00 2.72 C ATOM 186 OE1 GLU A 42 -13.560 -1.336 7.154 1.00 3.61 O ATOM 187 OE2 GLU A 42 -13.337 -2.263 9.136 1.00 3.88 O ATOM 0 H GLU A 42 -8.242 -0.553 8.080 1.00 0.89 H new ATOM 0 HA GLU A 42 -10.315 -2.213 9.089 1.00 0.97 H new ATOM 0 HB2 GLU A 42 -10.033 0.404 8.215 1.00 1.07 H new ATOM 0 HB3 GLU A 42 -10.884 -0.305 6.857 1.00 1.07 H new ATOM 0 HG2 GLU A 42 -11.796 -0.400 9.760 1.00 1.53 H new ATOM 0 HG3 GLU A 42 -12.430 0.676 8.530 1.00 1.53 H new ATOM 194 N ALA A 43 -9.613 -2.693 5.900 1.00 0.96 N ATOM 195 CA ALA A 43 -9.913 -3.539 4.744 1.00 1.04 C ATOM 196 C ALA A 43 -9.598 -5.025 4.994 1.00 1.01 C ATOM 197 O ALA A 43 -10.493 -5.866 4.857 1.00 1.17 O ATOM 198 CB ALA A 43 -9.165 -3.000 3.518 1.00 1.17 C ATOM 0 H ALA A 43 -8.845 -2.040 5.742 1.00 0.96 H new ATOM 0 HA ALA A 43 -10.987 -3.496 4.561 1.00 1.04 H new ATOM 0 HB1 ALA A 43 -9.385 -3.626 2.653 1.00 1.17 H new ATOM 0 HB2 ALA A 43 -9.486 -1.978 3.316 1.00 1.17 H new ATOM 0 HB3 ALA A 43 -8.092 -3.012 3.712 1.00 1.17 H new ATOM 204 N LEU A 44 -8.354 -5.348 5.380 1.00 0.94 N ATOM 205 CA LEU A 44 -7.871 -6.737 5.519 1.00 1.18 C ATOM 206 C LEU A 44 -7.168 -7.058 6.848 1.00 1.31 C ATOM 207 O LEU A 44 -6.937 -8.232 7.139 1.00 1.70 O ATOM 208 CB LEU A 44 -6.976 -7.118 4.328 1.00 1.36 C ATOM 209 CG LEU A 44 -5.745 -6.211 4.137 1.00 1.15 C ATOM 210 CD1 LEU A 44 -4.477 -7.030 3.925 1.00 1.04 C ATOM 211 CD2 LEU A 44 -5.948 -5.310 2.926 1.00 1.33 C ATOM 0 H LEU A 44 -7.647 -4.649 5.607 1.00 0.94 H new ATOM 0 HA LEU A 44 -8.773 -7.349 5.524 1.00 1.18 H new ATOM 0 HB2 LEU A 44 -6.637 -8.146 4.459 1.00 1.36 H new ATOM 0 HB3 LEU A 44 -7.575 -7.093 3.417 1.00 1.36 H new ATOM 0 HG LEU A 44 -5.633 -5.614 5.042 1.00 1.15 H new ATOM 0 HD11 LEU A 44 -3.628 -6.359 3.794 1.00 1.04 H new ATOM 0 HD12 LEU A 44 -4.306 -7.666 4.793 1.00 1.04 H new ATOM 0 HD13 LEU A 44 -4.589 -7.651 3.036 1.00 1.04 H new ATOM 0 HD21 LEU A 44 -5.074 -4.672 2.797 1.00 1.33 H new ATOM 0 HD22 LEU A 44 -6.084 -5.923 2.035 1.00 1.33 H new ATOM 0 HD23 LEU A 44 -6.831 -4.690 3.078 1.00 1.33 H new ATOM 223 N SER A 45 -6.816 -6.041 7.642 1.00 1.26 N ATOM 224 CA SER A 45 -6.050 -6.175 8.894 1.00 1.57 C ATOM 225 C SER A 45 -4.734 -6.981 8.711 1.00 1.37 C ATOM 226 O SER A 45 -4.674 -8.159 9.086 1.00 1.65 O ATOM 227 CB SER A 45 -6.943 -6.644 10.041 1.00 2.22 C ATOM 228 OG SER A 45 -8.247 -6.067 9.969 1.00 2.74 O ATOM 0 H SER A 45 -7.061 -5.074 7.429 1.00 1.26 H new ATOM 0 HA SER A 45 -5.703 -5.184 9.186 1.00 1.57 H new ATOM 0 HB2 SER A 45 -7.025 -7.731 10.017 1.00 2.22 H new ATOM 0 HB3 SER A 45 -6.481 -6.380 10.992 1.00 2.22 H new ATOM 0 HG SER A 45 -8.170 -5.092 9.911 1.00 2.74 H new ATOM 234 N PRO A 46 -3.705 -6.394 8.055 1.00 0.99 N ATOM 235 CA PRO A 46 -2.474 -7.058 7.586 1.00 0.70 C ATOM 236 C PRO A 46 -1.652 -7.867 8.609 1.00 0.82 C ATOM 237 O PRO A 46 -1.865 -7.792 9.813 1.00 1.07 O ATOM 238 CB PRO A 46 -1.608 -5.937 7.008 1.00 0.86 C ATOM 239 CG PRO A 46 -2.597 -4.867 6.574 1.00 0.94 C ATOM 240 CD PRO A 46 -3.715 -5.006 7.596 1.00 1.03 C ATOM 0 HA PRO A 46 -2.784 -7.828 6.880 1.00 0.70 H new ATOM 0 HB2 PRO A 46 -0.910 -5.552 7.752 1.00 0.86 H new ATOM 0 HB3 PRO A 46 -1.013 -6.291 6.166 1.00 0.86 H new ATOM 0 HG2 PRO A 46 -2.152 -3.872 6.595 1.00 0.94 H new ATOM 0 HG3 PRO A 46 -2.955 -5.035 5.558 1.00 0.94 H new ATOM 0 HD2 PRO A 46 -3.561 -4.323 8.431 1.00 1.03 H new ATOM 0 HD3 PRO A 46 -4.678 -4.754 7.151 1.00 1.03 H new ATOM 248 N GLU A 47 -0.658 -8.621 8.126 1.00 0.71 N ATOM 249 CA GLU A 47 0.465 -9.103 8.927 1.00 0.79 C ATOM 250 C GLU A 47 1.596 -8.076 9.029 1.00 0.90 C ATOM 251 O GLU A 47 2.183 -7.921 10.105 1.00 1.11 O ATOM 252 CB GLU A 47 0.984 -10.398 8.322 1.00 0.74 C ATOM 253 CG GLU A 47 1.628 -11.302 9.367 1.00 0.92 C ATOM 254 CD GLU A 47 0.639 -12.009 10.302 1.00 1.22 C ATOM 255 OE1 GLU A 47 0.933 -12.101 11.519 1.00 2.42 O ATOM 256 OE2 GLU A 47 -0.379 -12.548 9.805 1.00 2.00 O ATOM 0 H GLU A 47 -0.614 -8.916 7.151 1.00 0.71 H new ATOM 0 HA GLU A 47 0.106 -9.275 9.942 1.00 0.79 H new ATOM 0 HB2 GLU A 47 0.162 -10.928 7.842 1.00 0.74 H new ATOM 0 HB3 GLU A 47 1.712 -10.168 7.544 1.00 0.74 H new ATOM 0 HG2 GLU A 47 2.226 -12.056 8.856 1.00 0.92 H new ATOM 0 HG3 GLU A 47 2.314 -10.706 9.970 1.00 0.92 H new ATOM 263 N VAL A 48 1.873 -7.335 7.946 1.00 0.77 N ATOM 264 CA VAL A 48 2.681 -6.110 8.024 1.00 0.67 C ATOM 265 C VAL A 48 2.085 -4.994 7.183 1.00 0.76 C ATOM 266 O VAL A 48 1.378 -5.244 6.200 1.00 1.23 O ATOM 267 CB VAL A 48 4.104 -6.296 7.476 1.00 1.09 C ATOM 268 CG1 VAL A 48 5.030 -7.256 8.174 1.00 0.72 C ATOM 269 CG2 VAL A 48 4.102 -6.698 6.020 1.00 2.41 C ATOM 0 H VAL A 48 1.549 -7.563 7.006 1.00 0.77 H new ATOM 0 HA VAL A 48 2.698 -5.867 9.086 1.00 0.67 H new ATOM 0 HB VAL A 48 4.502 -5.298 7.659 1.00 1.09 H new ATOM 0 HG11 VAL A 48 5.993 -7.270 7.663 1.00 0.72 H new ATOM 0 HG12 VAL A 48 5.172 -6.938 9.207 1.00 0.72 H new ATOM 0 HG13 VAL A 48 4.596 -8.256 8.159 1.00 0.72 H new ATOM 0 HG21 VAL A 48 5.129 -6.818 5.674 1.00 2.41 H new ATOM 0 HG22 VAL A 48 3.567 -7.640 5.903 1.00 2.41 H new ATOM 0 HG23 VAL A 48 3.609 -5.926 5.430 1.00 2.41 H new ATOM 279 N LEU A 49 2.575 -3.787 7.443 1.00 0.66 N ATOM 280 CA LEU A 49 2.910 -2.901 6.335 1.00 0.74 C ATOM 281 C LEU A 49 4.165 -2.065 6.610 1.00 0.76 C ATOM 282 O LEU A 49 4.279 -1.375 7.622 1.00 0.98 O ATOM 283 CB LEU A 49 1.687 -2.095 5.842 1.00 1.31 C ATOM 284 CG LEU A 49 0.590 -1.765 6.879 1.00 0.88 C ATOM 285 CD1 LEU A 49 0.981 -0.625 7.817 1.00 1.52 C ATOM 286 CD2 LEU A 49 -0.694 -1.398 6.141 1.00 1.22 C ATOM 0 H LEU A 49 2.744 -3.409 8.375 1.00 0.66 H new ATOM 0 HA LEU A 49 3.186 -3.528 5.487 1.00 0.74 H new ATOM 0 HB2 LEU A 49 2.049 -1.156 5.423 1.00 1.31 H new ATOM 0 HB3 LEU A 49 1.224 -2.650 5.026 1.00 1.31 H new ATOM 0 HG LEU A 49 0.448 -2.651 7.498 1.00 0.88 H new ATOM 0 HD11 LEU A 49 0.171 -0.440 8.522 1.00 1.52 H new ATOM 0 HD12 LEU A 49 1.883 -0.898 8.365 1.00 1.52 H new ATOM 0 HD13 LEU A 49 1.169 0.277 7.235 1.00 1.52 H new ATOM 0 HD21 LEU A 49 -1.475 -1.163 6.864 1.00 1.22 H new ATOM 0 HD22 LEU A 49 -0.514 -0.530 5.507 1.00 1.22 H new ATOM 0 HD23 LEU A 49 -1.012 -2.238 5.524 1.00 1.22 H new ATOM 298 N GLU A 50 5.113 -2.120 5.674 1.00 0.76 N ATOM 299 CA GLU A 50 6.255 -1.208 5.626 1.00 0.79 C ATOM 300 C GLU A 50 6.144 -0.302 4.411 1.00 0.72 C ATOM 301 O GLU A 50 6.202 -0.739 3.264 1.00 0.82 O ATOM 302 CB GLU A 50 7.601 -1.912 5.599 1.00 0.91 C ATOM 303 CG GLU A 50 7.813 -2.895 6.751 1.00 1.07 C ATOM 304 CD GLU A 50 9.286 -3.065 7.171 1.00 1.46 C ATOM 305 OE1 GLU A 50 9.528 -3.629 8.265 1.00 1.98 O ATOM 306 OE2 GLU A 50 10.220 -2.602 6.466 1.00 2.36 O ATOM 0 H GLU A 50 5.109 -2.807 4.920 1.00 0.76 H new ATOM 0 HA GLU A 50 6.217 -0.630 6.549 1.00 0.79 H new ATOM 0 HB2 GLU A 50 7.700 -2.448 4.655 1.00 0.91 H new ATOM 0 HB3 GLU A 50 8.392 -1.162 5.625 1.00 0.91 H new ATOM 0 HG2 GLU A 50 7.237 -2.557 7.613 1.00 1.07 H new ATOM 0 HG3 GLU A 50 7.414 -3.868 6.462 1.00 1.07 H new ATOM 313 N LEU A 51 5.919 0.967 4.685 1.00 0.66 N ATOM 314 CA LEU A 51 5.475 1.951 3.701 1.00 0.64 C ATOM 315 C LEU A 51 6.008 3.368 3.985 1.00 0.75 C ATOM 316 O LEU A 51 6.371 3.678 5.125 1.00 0.90 O ATOM 317 CB LEU A 51 3.941 1.842 3.580 1.00 0.76 C ATOM 318 CG LEU A 51 3.143 2.644 4.605 1.00 0.93 C ATOM 319 CD1 LEU A 51 1.638 2.524 4.384 1.00 1.32 C ATOM 320 CD2 LEU A 51 3.421 2.265 6.059 1.00 1.04 C ATOM 0 H LEU A 51 6.041 1.359 5.619 1.00 0.66 H new ATOM 0 HA LEU A 51 5.906 1.731 2.724 1.00 0.64 H new ATOM 0 HB2 LEU A 51 3.649 2.168 2.582 1.00 0.76 H new ATOM 0 HB3 LEU A 51 3.661 0.792 3.668 1.00 0.76 H new ATOM 0 HG LEU A 51 3.481 3.667 4.443 1.00 0.93 H new ATOM 0 HD11 LEU A 51 1.112 3.111 5.137 1.00 1.32 H new ATOM 0 HD12 LEU A 51 1.385 2.896 3.391 1.00 1.32 H new ATOM 0 HD13 LEU A 51 1.340 1.479 4.466 1.00 1.32 H new ATOM 0 HD21 LEU A 51 2.812 2.883 6.719 1.00 1.04 H new ATOM 0 HD22 LEU A 51 3.173 1.215 6.215 1.00 1.04 H new ATOM 0 HD23 LEU A 51 4.476 2.426 6.282 1.00 1.04 H new ATOM 332 N ARG A 52 6.018 4.245 2.973 1.00 0.78 N ATOM 333 CA ARG A 52 6.543 5.613 3.083 1.00 0.94 C ATOM 334 C ARG A 52 5.993 6.512 1.983 1.00 0.87 C ATOM 335 O ARG A 52 5.858 6.112 0.825 1.00 0.76 O ATOM 336 CB ARG A 52 8.086 5.546 3.046 1.00 1.07 C ATOM 337 CG ARG A 52 8.884 6.865 3.039 1.00 1.70 C ATOM 338 CD ARG A 52 8.552 7.934 4.100 1.00 3.22 C ATOM 339 NE ARG A 52 8.019 7.395 5.363 1.00 4.34 N ATOM 340 CZ ARG A 52 8.648 7.173 6.497 1.00 5.16 C ATOM 341 NH1 ARG A 52 9.940 7.283 6.643 1.00 5.14 N ATOM 342 NH2 ARG A 52 7.932 6.851 7.528 1.00 6.89 N ATOM 0 H ARG A 52 5.658 4.023 2.045 1.00 0.78 H new ATOM 0 HA ARG A 52 6.221 6.054 4.026 1.00 0.94 H new ATOM 0 HB2 ARG A 52 8.413 4.967 3.910 1.00 1.07 H new ATOM 0 HB3 ARG A 52 8.371 4.982 2.158 1.00 1.07 H new ATOM 0 HG2 ARG A 52 9.940 6.614 3.141 1.00 1.70 H new ATOM 0 HG3 ARG A 52 8.759 7.322 2.058 1.00 1.70 H new ATOM 0 HD2 ARG A 52 9.454 8.506 4.316 1.00 3.22 H new ATOM 0 HD3 ARG A 52 7.825 8.630 3.681 1.00 3.22 H new ATOM 0 HE ARG A 52 7.026 7.162 5.358 1.00 4.34 H new ATOM 0 HH11 ARG A 52 10.521 7.555 5.850 1.00 5.14 H new ATOM 0 HH12 ARG A 52 10.368 7.097 7.550 1.00 5.14 H new ATOM 0 HH21 ARG A 52 6.918 6.778 7.442 1.00 6.89 H new ATOM 0 HH22 ARG A 52 8.382 6.671 8.425 1.00 6.89 H new ATOM 356 N ASN A 53 5.720 7.765 2.337 1.00 1.02 N ATOM 357 CA ASN A 53 5.493 8.819 1.365 1.00 0.96 C ATOM 358 C ASN A 53 6.822 9.476 0.958 1.00 1.05 C ATOM 359 O ASN A 53 7.429 10.256 1.690 1.00 1.56 O ATOM 360 CB ASN A 53 4.368 9.724 1.876 1.00 1.07 C ATOM 361 CG ASN A 53 4.770 10.764 2.904 1.00 1.53 C ATOM 362 OD1 ASN A 53 5.305 10.461 3.962 1.00 3.12 O ATOM 363 ND2 ASN A 53 4.478 12.005 2.602 1.00 0.96 N ATOM 0 H ASN A 53 5.651 8.073 3.307 1.00 1.02 H new ATOM 0 HA ASN A 53 5.123 8.442 0.412 1.00 0.96 H new ATOM 0 HB2 ASN A 53 3.925 10.237 1.023 1.00 1.07 H new ATOM 0 HB3 ASN A 53 3.590 9.095 2.309 1.00 1.07 H new ATOM 0 HD21 ASN A 53 4.697 12.755 3.258 1.00 0.96 H new ATOM 0 HD22 ASN A 53 4.032 12.222 1.711 1.00 0.96 H new ATOM 370 N GLU A 54 7.305 9.102 -0.226 1.00 0.98 N ATOM 371 CA GLU A 54 8.584 9.556 -0.788 1.00 1.25 C ATOM 372 C GLU A 54 8.549 11.043 -1.196 1.00 1.19 C ATOM 373 O GLU A 54 9.592 11.656 -1.416 1.00 1.43 O ATOM 374 CB GLU A 54 8.928 8.621 -1.965 1.00 1.43 C ATOM 375 CG GLU A 54 10.301 8.814 -2.632 1.00 2.12 C ATOM 376 CD GLU A 54 11.508 8.405 -1.773 1.00 3.92 C ATOM 377 OE1 GLU A 54 12.569 8.100 -2.368 1.00 4.45 O ATOM 378 OE2 GLU A 54 11.440 8.387 -0.519 1.00 5.42 O ATOM 0 H GLU A 54 6.807 8.458 -0.840 1.00 0.98 H new ATOM 0 HA GLU A 54 9.368 9.499 -0.033 1.00 1.25 H new ATOM 0 HB2 GLU A 54 8.865 7.592 -1.610 1.00 1.43 H new ATOM 0 HB3 GLU A 54 8.160 8.742 -2.729 1.00 1.43 H new ATOM 0 HG2 GLU A 54 10.322 8.238 -3.557 1.00 2.12 H new ATOM 0 HG3 GLU A 54 10.410 9.863 -2.907 1.00 2.12 H new ATOM 385 N SER A 55 7.358 11.647 -1.247 1.00 0.92 N ATOM 386 CA SER A 55 7.087 13.046 -1.596 1.00 0.94 C ATOM 387 C SER A 55 7.854 14.118 -0.808 1.00 1.24 C ATOM 388 O SER A 55 8.092 15.195 -1.353 1.00 1.38 O ATOM 389 CB SER A 55 5.581 13.243 -1.538 1.00 0.71 C ATOM 390 OG SER A 55 5.024 13.069 -0.250 1.00 1.81 O ATOM 0 H SER A 55 6.500 11.138 -1.031 1.00 0.92 H new ATOM 0 HA SER A 55 7.478 13.206 -2.601 1.00 0.94 H new ATOM 0 HB2 SER A 55 5.343 14.246 -1.892 1.00 0.71 H new ATOM 0 HB3 SER A 55 5.107 12.541 -2.225 1.00 0.71 H new ATOM 0 HG SER A 55 4.105 12.739 -0.333 1.00 1.81 H new ATOM 396 N GLY A 56 8.392 13.789 0.372 1.00 1.50 N ATOM 397 CA GLY A 56 9.369 14.627 1.090 1.00 1.90 C ATOM 398 C GLY A 56 10.739 14.747 0.391 1.00 2.23 C ATOM 399 O GLY A 56 11.631 15.449 0.871 1.00 2.78 O ATOM 0 H GLY A 56 8.161 12.925 0.863 1.00 1.50 H new ATOM 0 HA2 GLY A 56 8.950 15.625 1.216 1.00 1.90 H new ATOM 0 HA3 GLY A 56 9.519 14.216 2.088 1.00 1.90 H new ATOM 403 N GLY A 57 10.891 14.090 -0.765 1.00 2.01 N ATOM 404 CA GLY A 57 11.966 14.262 -1.738 1.00 2.33 C ATOM 405 C GLY A 57 11.745 15.381 -2.763 1.00 2.47 C ATOM 406 O GLY A 57 12.693 15.742 -3.466 1.00 3.24 O ATOM 0 H GLY A 57 10.221 13.380 -1.061 1.00 2.01 H new ATOM 0 HA2 GLY A 57 12.893 14.461 -1.200 1.00 2.33 H new ATOM 0 HA3 GLY A 57 12.104 13.323 -2.273 1.00 2.33 H new ATOM 410 N HIS A 58 10.529 15.938 -2.868 1.00 2.30 N ATOM 411 CA HIS A 58 10.076 16.717 -4.036 1.00 2.26 C ATOM 412 C HIS A 58 9.680 18.181 -3.757 1.00 2.27 C ATOM 413 O HIS A 58 9.301 18.880 -4.697 1.00 1.61 O ATOM 414 CB HIS A 58 8.961 15.925 -4.752 1.00 1.89 C ATOM 415 CG HIS A 58 9.498 14.643 -5.346 1.00 2.06 C ATOM 416 ND1 HIS A 58 10.223 14.546 -6.510 1.00 2.62 N ATOM 417 CD2 HIS A 58 9.484 13.394 -4.785 1.00 1.83 C ATOM 418 CE1 HIS A 58 10.645 13.279 -6.642 1.00 2.71 C ATOM 419 NE2 HIS A 58 10.228 12.533 -5.601 1.00 2.23 N ATOM 0 H HIS A 58 9.822 15.861 -2.137 1.00 2.30 H new ATOM 0 HA HIS A 58 10.940 16.835 -4.690 1.00 2.26 H new ATOM 0 HB2 HIS A 58 8.163 15.696 -4.046 1.00 1.89 H new ATOM 0 HB3 HIS A 58 8.523 16.539 -5.539 1.00 1.89 H new ATOM 0 HD2 HIS A 58 8.984 13.119 -3.868 1.00 1.83 H new ATOM 0 HE1 HIS A 58 11.236 12.909 -7.467 1.00 2.71 H new ATOM 0 HE2 HIS A 58 10.416 11.543 -5.440 1.00 2.23 H new ATOM 427 N ALA A 59 9.776 18.660 -2.506 1.00 4.08 N ATOM 428 CA ALA A 59 9.470 20.046 -2.112 1.00 4.37 C ATOM 429 C ALA A 59 8.101 20.544 -2.636 1.00 3.45 C ATOM 430 O ALA A 59 7.965 21.624 -3.227 1.00 3.62 O ATOM 431 CB ALA A 59 10.670 20.947 -2.432 1.00 5.49 C ATOM 0 H ALA A 59 10.076 18.081 -1.722 1.00 4.08 H new ATOM 0 HA ALA A 59 9.330 20.088 -1.032 1.00 4.37 H new ATOM 0 HB1 ALA A 59 10.443 21.972 -2.140 1.00 5.49 H new ATOM 0 HB2 ALA A 59 11.544 20.598 -1.882 1.00 5.49 H new ATOM 0 HB3 ALA A 59 10.877 20.911 -3.502 1.00 5.49 H new ATOM 437 N VAL A 60 7.090 19.693 -2.453 1.00 2.61 N ATOM 438 CA VAL A 60 5.706 19.850 -2.927 1.00 1.75 C ATOM 439 C VAL A 60 4.867 20.748 -1.990 1.00 1.74 C ATOM 440 O VAL A 60 5.279 20.966 -0.847 1.00 2.34 O ATOM 441 CB VAL A 60 5.073 18.460 -3.168 1.00 1.26 C ATOM 442 CG1 VAL A 60 5.732 17.789 -4.375 1.00 1.54 C ATOM 443 CG2 VAL A 60 5.163 17.523 -1.959 1.00 1.51 C ATOM 0 H VAL A 60 7.219 18.821 -1.939 1.00 2.61 H new ATOM 0 HA VAL A 60 5.720 20.375 -3.882 1.00 1.75 H new ATOM 0 HB VAL A 60 4.014 18.638 -3.352 1.00 1.26 H new ATOM 0 HG11 VAL A 60 5.281 16.810 -4.538 1.00 1.54 H new ATOM 0 HG12 VAL A 60 5.586 18.408 -5.260 1.00 1.54 H new ATOM 0 HG13 VAL A 60 6.799 17.670 -4.187 1.00 1.54 H new ATOM 0 HG21 VAL A 60 4.698 16.568 -2.204 1.00 1.51 H new ATOM 0 HG22 VAL A 60 6.210 17.362 -1.701 1.00 1.51 H new ATOM 0 HG23 VAL A 60 4.645 17.972 -1.111 1.00 1.51 H new ATOM 453 N PRO A 61 3.719 21.303 -2.433 1.00 1.47 N ATOM 454 CA PRO A 61 2.932 22.283 -1.665 1.00 1.85 C ATOM 455 C PRO A 61 2.478 21.816 -0.259 1.00 2.32 C ATOM 456 O PRO A 61 2.436 20.609 0.011 1.00 2.13 O ATOM 457 CB PRO A 61 1.734 22.616 -2.563 1.00 2.06 C ATOM 458 CG PRO A 61 2.272 22.405 -3.974 1.00 1.75 C ATOM 459 CD PRO A 61 3.182 21.196 -3.786 1.00 1.36 C ATOM 0 HA PRO A 61 3.555 23.148 -1.435 1.00 1.85 H new ATOM 0 HB2 PRO A 61 0.885 21.964 -2.356 1.00 2.06 H new ATOM 0 HB3 PRO A 61 1.393 23.641 -2.413 1.00 2.06 H new ATOM 0 HG2 PRO A 61 1.474 22.208 -4.690 1.00 1.75 H new ATOM 0 HG3 PRO A 61 2.819 23.275 -4.337 1.00 1.75 H new ATOM 0 HD2 PRO A 61 2.627 20.266 -3.913 1.00 1.36 H new ATOM 0 HD3 PRO A 61 3.983 21.192 -4.525 1.00 1.36 H new ATOM 467 N PRO A 62 2.099 22.738 0.653 1.00 3.08 N ATOM 468 CA PRO A 62 1.666 22.397 2.011 1.00 3.71 C ATOM 469 C PRO A 62 0.422 21.496 2.015 1.00 3.70 C ATOM 470 O PRO A 62 -0.630 21.840 1.467 1.00 3.82 O ATOM 471 CB PRO A 62 1.430 23.731 2.731 1.00 4.52 C ATOM 472 CG PRO A 62 1.163 24.705 1.587 1.00 4.52 C ATOM 473 CD PRO A 62 2.071 24.183 0.479 1.00 3.47 C ATOM 0 HA PRO A 62 2.426 21.811 2.528 1.00 3.71 H new ATOM 0 HB2 PRO A 62 0.584 23.674 3.416 1.00 4.52 H new ATOM 0 HB3 PRO A 62 2.298 24.030 3.319 1.00 4.52 H new ATOM 0 HG2 PRO A 62 0.115 24.699 1.287 1.00 4.52 H new ATOM 0 HG3 PRO A 62 1.410 25.730 1.863 1.00 4.52 H new ATOM 0 HD2 PRO A 62 1.686 24.453 -0.504 1.00 3.47 H new ATOM 0 HD3 PRO A 62 3.072 24.608 0.558 1.00 3.47 H new ATOM 481 N GLY A 63 0.554 20.314 2.621 1.00 3.70 N ATOM 482 CA GLY A 63 -0.476 19.269 2.636 1.00 3.75 C ATOM 483 C GLY A 63 -0.584 18.428 1.350 1.00 3.17 C ATOM 484 O GLY A 63 -1.392 17.494 1.313 1.00 3.28 O ATOM 0 H GLY A 63 1.399 20.049 3.127 1.00 3.70 H new ATOM 0 HA2 GLY A 63 -0.277 18.599 3.472 1.00 3.75 H new ATOM 0 HA3 GLY A 63 -1.442 19.737 2.826 1.00 3.75 H new ATOM 488 N SER A 64 0.211 18.706 0.308 1.00 2.64 N ATOM 489 CA SER A 64 0.374 17.821 -0.852 1.00 2.04 C ATOM 490 C SER A 64 1.341 16.696 -0.503 1.00 1.53 C ATOM 491 O SER A 64 2.454 16.941 -0.040 1.00 1.61 O ATOM 492 CB SER A 64 0.905 18.563 -2.083 1.00 1.75 C ATOM 493 OG SER A 64 -0.101 19.363 -2.670 1.00 2.28 O ATOM 0 H SER A 64 0.764 19.561 0.247 1.00 2.64 H new ATOM 0 HA SER A 64 -0.612 17.426 -1.096 1.00 2.04 H new ATOM 0 HB2 SER A 64 1.750 19.189 -1.797 1.00 1.75 H new ATOM 0 HB3 SER A 64 1.274 17.843 -2.814 1.00 1.75 H new ATOM 0 HG SER A 64 0.265 19.827 -3.452 1.00 2.28 H new ATOM 499 N GLU A 65 0.921 15.463 -0.749 1.00 1.33 N ATOM 500 CA GLU A 65 1.674 14.236 -0.464 1.00 0.96 C ATOM 501 C GLU A 65 1.632 13.385 -1.744 1.00 0.90 C ATOM 502 O GLU A 65 0.849 12.442 -1.875 1.00 1.20 O ATOM 503 CB GLU A 65 1.094 13.541 0.784 1.00 1.14 C ATOM 504 CG GLU A 65 1.253 14.407 2.044 1.00 1.39 C ATOM 505 CD GLU A 65 0.702 13.717 3.293 1.00 1.37 C ATOM 506 OE1 GLU A 65 -0.362 14.137 3.814 1.00 2.31 O ATOM 507 OE2 GLU A 65 1.362 12.789 3.811 1.00 1.83 O ATOM 0 H GLU A 65 0.011 15.276 -1.169 1.00 1.33 H new ATOM 0 HA GLU A 65 2.718 14.428 -0.217 1.00 0.96 H new ATOM 0 HB2 GLU A 65 0.038 13.325 0.622 1.00 1.14 H new ATOM 0 HB3 GLU A 65 1.596 12.585 0.934 1.00 1.14 H new ATOM 0 HG2 GLU A 65 2.308 14.637 2.194 1.00 1.39 H new ATOM 0 HG3 GLU A 65 0.737 15.356 1.898 1.00 1.39 H new ATOM 514 N THR A 66 2.388 13.814 -2.762 1.00 0.82 N ATOM 515 CA THR A 66 2.155 13.466 -4.177 1.00 1.05 C ATOM 516 C THR A 66 2.607 12.057 -4.544 1.00 1.01 C ATOM 517 O THR A 66 2.218 11.539 -5.589 1.00 1.29 O ATOM 518 CB THR A 66 2.890 14.442 -5.120 1.00 1.22 C ATOM 519 OG1 THR A 66 4.280 14.359 -4.917 1.00 1.50 O ATOM 520 CG2 THR A 66 2.488 15.902 -4.927 1.00 1.11 C ATOM 0 H THR A 66 3.194 14.424 -2.627 1.00 0.82 H new ATOM 0 HA THR A 66 1.074 13.531 -4.301 1.00 1.05 H new ATOM 0 HB THR A 66 2.606 14.139 -6.128 1.00 1.22 H new ATOM 0 HG1 THR A 66 4.744 14.856 -5.623 1.00 1.50 H new ATOM 0 HG21 THR A 66 3.045 16.528 -5.624 1.00 1.11 H new ATOM 0 HG22 THR A 66 1.420 16.013 -5.114 1.00 1.11 H new ATOM 0 HG23 THR A 66 2.711 16.209 -3.905 1.00 1.11 H new ATOM 528 N HIS A 67 3.455 11.458 -3.717 1.00 0.71 N ATOM 529 CA HIS A 67 4.407 10.424 -4.121 1.00 0.73 C ATOM 530 C HIS A 67 4.472 9.323 -3.049 1.00 0.49 C ATOM 531 O HIS A 67 4.793 9.622 -1.894 1.00 0.41 O ATOM 532 CB HIS A 67 5.770 11.125 -4.313 1.00 0.85 C ATOM 533 CG HIS A 67 6.336 11.094 -5.701 1.00 1.23 C ATOM 534 ND1 HIS A 67 7.655 11.045 -6.093 1.00 1.72 N ATOM 535 CD2 HIS A 67 5.618 11.476 -6.789 1.00 1.34 C ATOM 536 CE1 HIS A 67 7.714 11.368 -7.397 1.00 2.04 C ATOM 537 NE2 HIS A 67 6.486 11.628 -7.876 1.00 1.78 N ATOM 0 H HIS A 67 3.503 11.681 -2.723 1.00 0.71 H new ATOM 0 HA HIS A 67 4.108 9.937 -5.049 1.00 0.73 H new ATOM 0 HB2 HIS A 67 5.667 12.166 -4.007 1.00 0.85 H new ATOM 0 HB3 HIS A 67 6.491 10.665 -3.638 1.00 0.85 H new ATOM 0 HD1 HIS A 67 8.448 10.806 -5.498 1.00 1.72 H new ATOM 0 HD2 HIS A 67 4.550 11.636 -6.811 1.00 1.34 H new ATOM 0 HE1 HIS A 67 8.623 11.412 -7.979 1.00 2.04 H new ATOM 545 N PHE A 68 4.187 8.062 -3.408 1.00 0.54 N ATOM 546 CA PHE A 68 3.879 7.032 -2.404 1.00 0.52 C ATOM 547 C PHE A 68 4.390 5.602 -2.704 1.00 0.50 C ATOM 548 O PHE A 68 4.385 5.136 -3.847 1.00 0.59 O ATOM 549 CB PHE A 68 2.358 7.078 -2.124 1.00 0.74 C ATOM 550 CG PHE A 68 1.993 6.432 -0.809 1.00 0.94 C ATOM 551 CD1 PHE A 68 1.162 5.303 -0.767 1.00 2.56 C ATOM 552 CD2 PHE A 68 2.524 6.958 0.382 1.00 1.77 C ATOM 553 CE1 PHE A 68 0.909 4.685 0.466 1.00 2.88 C ATOM 554 CE2 PHE A 68 2.317 6.308 1.610 1.00 1.98 C ATOM 555 CZ PHE A 68 1.516 5.162 1.642 1.00 1.85 C ATOM 0 H PHE A 68 4.163 7.734 -4.373 1.00 0.54 H new ATOM 0 HA PHE A 68 4.450 7.281 -1.509 1.00 0.52 H new ATOM 0 HB2 PHE A 68 2.024 8.115 -2.121 1.00 0.74 H new ATOM 0 HB3 PHE A 68 1.828 6.575 -2.932 1.00 0.74 H new ATOM 0 HD1 PHE A 68 0.722 4.914 -1.674 1.00 2.56 H new ATOM 0 HD2 PHE A 68 3.098 7.873 0.352 1.00 1.77 H new ATOM 0 HE1 PHE A 68 0.243 3.836 0.513 1.00 2.88 H new ATOM 0 HE2 PHE A 68 2.769 6.687 2.515 1.00 1.98 H new ATOM 0 HZ PHE A 68 1.363 4.640 2.575 1.00 1.85 H new ATOM 565 N ARG A 69 4.822 4.876 -1.660 1.00 0.54 N ATOM 566 CA ARG A 69 5.310 3.489 -1.754 1.00 0.54 C ATOM 567 C ARG A 69 4.763 2.623 -0.614 1.00 0.60 C ATOM 568 O ARG A 69 4.813 3.045 0.541 1.00 0.71 O ATOM 569 CB ARG A 69 6.851 3.502 -1.751 1.00 0.57 C ATOM 570 CG ARG A 69 7.492 2.176 -2.195 1.00 1.33 C ATOM 571 CD ARG A 69 7.351 1.912 -3.705 1.00 1.43 C ATOM 572 NE ARG A 69 8.652 1.617 -4.348 1.00 2.28 N ATOM 573 CZ ARG A 69 9.044 0.502 -4.944 1.00 3.26 C ATOM 574 NH1 ARG A 69 8.333 -0.589 -4.958 1.00 4.02 N ATOM 575 NH2 ARG A 69 10.187 0.455 -5.560 1.00 4.18 N ATOM 0 H ARG A 69 4.842 5.243 -0.709 1.00 0.54 H new ATOM 0 HA ARG A 69 4.952 3.047 -2.684 1.00 0.54 H new ATOM 0 HB2 ARG A 69 7.198 4.299 -2.409 1.00 0.57 H new ATOM 0 HB3 ARG A 69 7.200 3.743 -0.747 1.00 0.57 H new ATOM 0 HG2 ARG A 69 8.550 2.184 -1.931 1.00 1.33 H new ATOM 0 HG3 ARG A 69 7.033 1.355 -1.644 1.00 1.33 H new ATOM 0 HD2 ARG A 69 6.672 1.074 -3.863 1.00 1.43 H new ATOM 0 HD3 ARG A 69 6.901 2.782 -4.183 1.00 1.43 H new ATOM 0 HE ARG A 69 9.337 2.373 -4.329 1.00 2.28 H new ATOM 0 HH11 ARG A 69 7.425 -0.612 -4.494 1.00 4.02 H new ATOM 0 HH12 ARG A 69 8.684 -1.421 -5.433 1.00 4.02 H new ATOM 0 HH21 ARG A 69 10.787 1.280 -5.586 1.00 4.18 H new ATOM 0 HH22 ARG A 69 10.485 -0.407 -6.018 1.00 4.18 H new ATOM 589 N VAL A 70 4.290 1.407 -0.917 1.00 0.59 N ATOM 590 CA VAL A 70 3.887 0.408 0.103 1.00 0.59 C ATOM 591 C VAL A 70 4.496 -0.967 -0.131 1.00 0.58 C ATOM 592 O VAL A 70 4.459 -1.493 -1.247 1.00 0.61 O ATOM 593 CB VAL A 70 2.358 0.206 0.209 1.00 0.69 C ATOM 594 CG1 VAL A 70 1.977 -0.698 1.404 1.00 1.09 C ATOM 595 CG2 VAL A 70 1.593 1.523 0.313 1.00 0.76 C ATOM 0 H VAL A 70 4.173 1.080 -1.876 1.00 0.59 H new ATOM 0 HA VAL A 70 4.267 0.840 1.029 1.00 0.59 H new ATOM 0 HB VAL A 70 2.068 -0.285 -0.720 1.00 0.69 H new ATOM 0 HG11 VAL A 70 0.894 -0.814 1.442 1.00 1.09 H new ATOM 0 HG12 VAL A 70 2.443 -1.676 1.283 1.00 1.09 H new ATOM 0 HG13 VAL A 70 2.326 -0.242 2.331 1.00 1.09 H new ATOM 0 HG21 VAL A 70 0.525 1.319 0.385 1.00 0.76 H new ATOM 0 HG22 VAL A 70 1.919 2.064 1.201 1.00 0.76 H new ATOM 0 HG23 VAL A 70 1.788 2.128 -0.573 1.00 0.76 H new ATOM 605 N ALA A 71 4.897 -1.603 0.966 1.00 0.61 N ATOM 606 CA ALA A 71 4.947 -3.059 1.072 1.00 0.62 C ATOM 607 C ALA A 71 3.978 -3.565 2.121 1.00 0.58 C ATOM 608 O ALA A 71 3.936 -3.084 3.252 1.00 0.63 O ATOM 609 CB ALA A 71 6.381 -3.527 1.362 1.00 0.81 C ATOM 0 H ALA A 71 5.198 -1.120 1.812 1.00 0.61 H new ATOM 0 HA ALA A 71 4.640 -3.483 0.116 1.00 0.62 H new ATOM 0 HB1 ALA A 71 6.401 -4.614 1.438 1.00 0.81 H new ATOM 0 HB2 ALA A 71 7.038 -3.208 0.553 1.00 0.81 H new ATOM 0 HB3 ALA A 71 6.723 -3.092 2.301 1.00 0.81 H new ATOM 615 N VAL A 72 3.170 -4.534 1.708 1.00 0.60 N ATOM 616 CA VAL A 72 2.066 -5.053 2.466 1.00 0.62 C ATOM 617 C VAL A 72 2.066 -6.577 2.361 1.00 0.61 C ATOM 618 O VAL A 72 2.276 -7.154 1.293 1.00 0.68 O ATOM 619 CB VAL A 72 0.780 -4.388 1.951 1.00 0.63 C ATOM 620 CG1 VAL A 72 0.535 -4.459 0.447 1.00 2.13 C ATOM 621 CG2 VAL A 72 -0.358 -4.943 2.745 1.00 2.28 C ATOM 0 H VAL A 72 3.280 -4.988 0.801 1.00 0.60 H new ATOM 0 HA VAL A 72 2.144 -4.821 3.528 1.00 0.62 H new ATOM 0 HB VAL A 72 0.888 -3.314 2.102 1.00 0.63 H new ATOM 0 HG11 VAL A 72 -0.402 -3.956 0.207 1.00 2.13 H new ATOM 0 HG12 VAL A 72 1.355 -3.970 -0.079 1.00 2.13 H new ATOM 0 HG13 VAL A 72 0.476 -5.502 0.137 1.00 2.13 H new ATOM 0 HG21 VAL A 72 -1.291 -4.493 2.407 1.00 2.28 H new ATOM 0 HG22 VAL A 72 -0.405 -6.023 2.607 1.00 2.28 H new ATOM 0 HG23 VAL A 72 -0.209 -4.718 3.801 1.00 2.28 H new ATOM 631 N VAL A 73 1.813 -7.234 3.489 1.00 0.58 N ATOM 632 CA VAL A 73 1.847 -8.697 3.605 1.00 0.58 C ATOM 633 C VAL A 73 0.708 -9.198 4.469 1.00 0.59 C ATOM 634 O VAL A 73 0.487 -8.652 5.559 1.00 0.63 O ATOM 635 CB VAL A 73 3.235 -9.170 4.075 1.00 0.80 C ATOM 636 CG1 VAL A 73 3.308 -9.944 5.390 1.00 0.87 C ATOM 637 CG2 VAL A 73 3.936 -9.935 2.975 1.00 1.72 C ATOM 0 H VAL A 73 1.575 -6.764 4.362 1.00 0.58 H new ATOM 0 HA VAL A 73 1.691 -9.140 2.621 1.00 0.58 H new ATOM 0 HB VAL A 73 3.751 -8.237 4.302 1.00 0.80 H new ATOM 0 HG11 VAL A 73 4.344 -10.213 5.597 1.00 0.87 H new ATOM 0 HG12 VAL A 73 2.926 -9.322 6.200 1.00 0.87 H new ATOM 0 HG13 VAL A 73 2.706 -10.849 5.313 1.00 0.87 H new ATOM 0 HG21 VAL A 73 4.915 -10.261 3.326 1.00 1.72 H new ATOM 0 HG22 VAL A 73 3.340 -10.806 2.701 1.00 1.72 H new ATOM 0 HG23 VAL A 73 4.059 -9.290 2.105 1.00 1.72 H new ATOM 647 N SER A 74 -0.014 -10.211 3.963 1.00 0.62 N ATOM 648 CA SER A 74 -1.265 -10.673 4.599 1.00 0.61 C ATOM 649 C SER A 74 -1.659 -12.120 4.271 1.00 0.68 C ATOM 650 O SER A 74 -1.518 -12.576 3.137 1.00 0.76 O ATOM 651 CB SER A 74 -2.404 -9.744 4.162 1.00 0.61 C ATOM 652 OG SER A 74 -3.659 -10.214 4.614 1.00 0.63 O ATOM 0 H SER A 74 0.243 -10.725 3.120 1.00 0.62 H new ATOM 0 HA SER A 74 -1.088 -10.645 5.674 1.00 0.61 H new ATOM 0 HB2 SER A 74 -2.228 -8.742 4.553 1.00 0.61 H new ATOM 0 HB3 SER A 74 -2.414 -9.665 3.075 1.00 0.61 H new ATOM 0 HG SER A 74 -3.924 -9.719 5.417 1.00 0.63 H new ATOM 658 N SER A 75 -2.257 -12.815 5.247 1.00 0.76 N ATOM 659 CA SER A 75 -2.938 -14.113 5.076 1.00 0.95 C ATOM 660 C SER A 75 -4.255 -14.042 4.278 1.00 1.18 C ATOM 661 O SER A 75 -4.894 -15.073 4.055 1.00 1.72 O ATOM 662 CB SER A 75 -3.181 -14.760 6.446 1.00 1.13 C ATOM 663 OG SER A 75 -4.000 -13.935 7.259 1.00 1.74 O ATOM 0 H SER A 75 -2.283 -12.482 6.211 1.00 0.76 H new ATOM 0 HA SER A 75 -2.266 -14.728 4.477 1.00 0.95 H new ATOM 0 HB2 SER A 75 -3.655 -15.732 6.314 1.00 1.13 H new ATOM 0 HB3 SER A 75 -2.227 -14.935 6.944 1.00 1.13 H new ATOM 0 HG SER A 75 -4.143 -14.369 8.126 1.00 1.74 H new ATOM 669 N ARG A 76 -4.669 -12.850 3.821 1.00 0.95 N ATOM 670 CA ARG A 76 -5.777 -12.611 2.874 1.00 1.06 C ATOM 671 C ARG A 76 -5.309 -12.408 1.419 1.00 1.05 C ATOM 672 O ARG A 76 -6.129 -12.393 0.502 1.00 1.19 O ATOM 673 CB ARG A 76 -6.621 -11.444 3.418 1.00 1.32 C ATOM 674 CG ARG A 76 -7.939 -11.265 2.654 1.00 1.45 C ATOM 675 CD ARG A 76 -8.966 -10.509 3.495 1.00 1.50 C ATOM 676 NE ARG A 76 -10.217 -10.337 2.742 1.00 2.47 N ATOM 677 CZ ARG A 76 -11.428 -10.152 3.222 1.00 3.05 C ATOM 678 NH1 ARG A 76 -11.659 -9.971 4.488 1.00 3.18 N ATOM 679 NH2 ARG A 76 -12.438 -10.163 2.407 1.00 4.27 N ATOM 0 H ARG A 76 -4.220 -11.982 4.114 1.00 0.95 H new ATOM 0 HA ARG A 76 -6.398 -13.505 2.812 1.00 1.06 H new ATOM 0 HB2 ARG A 76 -6.837 -11.617 4.472 1.00 1.32 H new ATOM 0 HB3 ARG A 76 -6.042 -10.522 3.358 1.00 1.32 H new ATOM 0 HG2 ARG A 76 -7.754 -10.723 1.727 1.00 1.45 H new ATOM 0 HG3 ARG A 76 -8.338 -12.241 2.378 1.00 1.45 H new ATOM 0 HD2 ARG A 76 -9.162 -11.054 4.418 1.00 1.50 H new ATOM 0 HD3 ARG A 76 -8.568 -9.535 3.778 1.00 1.50 H new ATOM 0 HE ARG A 76 -10.136 -10.364 1.726 1.00 2.47 H new ATOM 0 HH11 ARG A 76 -10.885 -9.969 5.152 1.00 3.18 H new ATOM 0 HH12 ARG A 76 -12.614 -9.831 4.817 1.00 3.18 H new ATOM 0 HH21 ARG A 76 -12.287 -10.314 1.410 1.00 4.27 H new ATOM 0 HH22 ARG A 76 -13.383 -10.021 2.764 1.00 4.27 H new ATOM 693 N PHE A 77 -3.995 -12.292 1.187 1.00 0.94 N ATOM 694 CA PHE A 77 -3.379 -12.158 -0.135 1.00 0.94 C ATOM 695 C PHE A 77 -2.910 -13.512 -0.709 1.00 0.94 C ATOM 696 O PHE A 77 -2.348 -13.555 -1.806 1.00 1.03 O ATOM 697 CB PHE A 77 -2.218 -11.152 -0.033 1.00 0.88 C ATOM 698 CG PHE A 77 -2.531 -9.674 0.197 1.00 0.80 C ATOM 699 CD1 PHE A 77 -1.458 -8.794 0.444 1.00 1.54 C ATOM 700 CD2 PHE A 77 -3.840 -9.146 0.115 1.00 1.63 C ATOM 701 CE1 PHE A 77 -1.681 -7.413 0.603 1.00 1.59 C ATOM 702 CE2 PHE A 77 -4.061 -7.766 0.281 1.00 1.62 C ATOM 703 CZ PHE A 77 -2.983 -6.898 0.530 1.00 0.89 C ATOM 0 H PHE A 77 -3.310 -12.289 1.942 1.00 0.94 H new ATOM 0 HA PHE A 77 -4.127 -11.788 -0.836 1.00 0.94 H new ATOM 0 HB2 PHE A 77 -1.570 -11.480 0.779 1.00 0.88 H new ATOM 0 HB3 PHE A 77 -1.638 -11.225 -0.953 1.00 0.88 H new ATOM 0 HD1 PHE A 77 -0.453 -9.184 0.512 1.00 1.54 H new ATOM 0 HD2 PHE A 77 -4.674 -9.805 -0.076 1.00 1.63 H new ATOM 0 HE1 PHE A 77 -0.848 -6.749 0.781 1.00 1.59 H new ATOM 0 HE2 PHE A 77 -5.064 -7.371 0.217 1.00 1.62 H new ATOM 0 HZ PHE A 77 -3.157 -5.841 0.664 1.00 0.89 H new ATOM 713 N GLU A 78 -3.098 -14.617 0.021 1.00 1.00 N ATOM 714 CA GLU A 78 -2.919 -15.986 -0.454 1.00 1.05 C ATOM 715 C GLU A 78 -4.148 -16.630 -1.128 1.00 1.51 C ATOM 716 O GLU A 78 -5.301 -16.336 -0.799 1.00 1.88 O ATOM 717 CB GLU A 78 -2.360 -16.860 0.683 1.00 1.15 C ATOM 718 CG GLU A 78 -3.189 -16.791 1.973 1.00 1.75 C ATOM 719 CD GLU A 78 -2.723 -17.811 3.017 1.00 1.92 C ATOM 720 OE1 GLU A 78 -1.768 -17.521 3.772 1.00 3.35 O ATOM 721 OE2 GLU A 78 -3.315 -18.918 3.094 1.00 1.66 O ATOM 0 H GLU A 78 -3.391 -14.576 0.997 1.00 1.00 H new ATOM 0 HA GLU A 78 -2.197 -15.924 -1.268 1.00 1.05 H new ATOM 0 HB2 GLU A 78 -2.314 -17.895 0.345 1.00 1.15 H new ATOM 0 HB3 GLU A 78 -1.338 -16.549 0.900 1.00 1.15 H new ATOM 0 HG2 GLU A 78 -3.121 -15.787 2.393 1.00 1.75 H new ATOM 0 HG3 GLU A 78 -4.239 -16.968 1.738 1.00 1.75 H new ATOM 728 N GLY A 79 -3.890 -17.571 -2.041 1.00 1.70 N ATOM 729 CA GLY A 79 -4.882 -18.204 -2.926 1.00 2.10 C ATOM 730 C GLY A 79 -4.965 -17.548 -4.312 1.00 1.95 C ATOM 731 O GLY A 79 -5.974 -17.673 -5.008 1.00 2.71 O ATOM 0 H GLY A 79 -2.947 -17.930 -2.193 1.00 1.70 H new ATOM 0 HA2 GLY A 79 -4.632 -19.258 -3.045 1.00 2.10 H new ATOM 0 HA3 GLY A 79 -5.862 -18.160 -2.452 1.00 2.10 H new ATOM 735 N LEU A 80 -3.922 -16.809 -4.690 1.00 1.25 N ATOM 736 CA LEU A 80 -3.870 -15.808 -5.760 1.00 1.29 C ATOM 737 C LEU A 80 -2.552 -15.935 -6.555 1.00 1.20 C ATOM 738 O LEU A 80 -1.515 -16.342 -6.017 1.00 1.31 O ATOM 739 CB LEU A 80 -3.935 -14.428 -5.071 1.00 1.55 C ATOM 740 CG LEU A 80 -5.312 -14.082 -4.477 1.00 1.34 C ATOM 741 CD1 LEU A 80 -5.228 -13.513 -3.066 1.00 2.31 C ATOM 742 CD2 LEU A 80 -6.016 -13.039 -5.321 1.00 1.47 C ATOM 0 H LEU A 80 -3.021 -16.900 -4.221 1.00 1.25 H new ATOM 0 HA LEU A 80 -4.693 -15.945 -6.462 1.00 1.29 H new ATOM 0 HB2 LEU A 80 -3.191 -14.397 -4.275 1.00 1.55 H new ATOM 0 HB3 LEU A 80 -3.661 -13.660 -5.795 1.00 1.55 H new ATOM 0 HG LEU A 80 -5.859 -15.025 -4.458 1.00 1.34 H new ATOM 0 HD11 LEU A 80 -6.231 -13.290 -2.703 1.00 2.31 H new ATOM 0 HD12 LEU A 80 -4.758 -14.243 -2.407 1.00 2.31 H new ATOM 0 HD13 LEU A 80 -4.634 -12.599 -3.077 1.00 2.31 H new ATOM 0 HD21 LEU A 80 -6.987 -12.810 -4.882 1.00 1.47 H new ATOM 0 HD22 LEU A 80 -5.412 -12.132 -5.358 1.00 1.47 H new ATOM 0 HD23 LEU A 80 -6.156 -13.423 -6.332 1.00 1.47 H new ATOM 754 N SER A 81 -2.564 -15.515 -7.820 1.00 1.24 N ATOM 755 CA SER A 81 -1.361 -15.114 -8.567 1.00 1.28 C ATOM 756 C SER A 81 -0.839 -13.753 -8.052 1.00 1.20 C ATOM 757 O SER A 81 -1.653 -12.918 -7.647 1.00 1.11 O ATOM 758 CB SER A 81 -1.687 -15.099 -10.073 1.00 1.43 C ATOM 759 OG SER A 81 -1.145 -13.996 -10.783 1.00 1.80 O ATOM 0 H SER A 81 -3.421 -15.441 -8.368 1.00 1.24 H new ATOM 0 HA SER A 81 -0.557 -15.832 -8.408 1.00 1.28 H new ATOM 0 HB2 SER A 81 -1.316 -16.021 -10.521 1.00 1.43 H new ATOM 0 HB3 SER A 81 -2.770 -15.098 -10.197 1.00 1.43 H new ATOM 0 HG SER A 81 -1.395 -14.061 -11.728 1.00 1.80 H new ATOM 765 N PRO A 82 0.481 -13.475 -8.068 1.00 1.32 N ATOM 766 CA PRO A 82 1.032 -12.157 -7.723 1.00 1.31 C ATOM 767 C PRO A 82 0.384 -10.989 -8.491 1.00 1.24 C ATOM 768 O PRO A 82 -0.129 -10.043 -7.879 1.00 1.21 O ATOM 769 CB PRO A 82 2.531 -12.277 -8.012 1.00 1.54 C ATOM 770 CG PRO A 82 2.824 -13.753 -7.752 1.00 1.68 C ATOM 771 CD PRO A 82 1.555 -14.442 -8.248 1.00 1.57 C ATOM 0 HA PRO A 82 0.825 -11.912 -6.681 1.00 1.31 H new ATOM 0 HB2 PRO A 82 2.766 -11.995 -9.038 1.00 1.54 H new ATOM 0 HB3 PRO A 82 3.119 -11.630 -7.361 1.00 1.54 H new ATOM 0 HG2 PRO A 82 3.707 -14.092 -8.294 1.00 1.68 H new ATOM 0 HG3 PRO A 82 3.004 -13.950 -6.695 1.00 1.68 H new ATOM 0 HD2 PRO A 82 1.650 -14.730 -9.295 1.00 1.57 H new ATOM 0 HD3 PRO A 82 1.359 -15.354 -7.683 1.00 1.57 H new ATOM 779 N LEU A 83 0.313 -11.096 -9.824 1.00 1.26 N ATOM 780 CA LEU A 83 -0.342 -10.105 -10.686 1.00 1.25 C ATOM 781 C LEU A 83 -1.851 -10.005 -10.402 1.00 1.16 C ATOM 782 O LEU A 83 -2.400 -8.906 -10.367 1.00 1.12 O ATOM 783 CB LEU A 83 -0.050 -10.472 -12.156 1.00 1.42 C ATOM 784 CG LEU A 83 -0.644 -9.503 -13.201 1.00 2.20 C ATOM 785 CD1 LEU A 83 -0.118 -8.074 -13.045 1.00 2.79 C ATOM 786 CD2 LEU A 83 -0.286 -9.991 -14.604 1.00 2.83 C ATOM 0 H LEU A 83 0.713 -11.881 -10.339 1.00 1.26 H new ATOM 0 HA LEU A 83 0.061 -9.115 -10.475 1.00 1.25 H new ATOM 0 HB2 LEU A 83 1.030 -10.516 -12.296 1.00 1.42 H new ATOM 0 HB3 LEU A 83 -0.437 -11.472 -12.349 1.00 1.42 H new ATOM 0 HG LEU A 83 -1.723 -9.488 -13.045 1.00 2.20 H new ATOM 0 HD11 LEU A 83 -0.568 -7.436 -13.805 1.00 2.79 H new ATOM 0 HD12 LEU A 83 -0.376 -7.697 -12.055 1.00 2.79 H new ATOM 0 HD13 LEU A 83 0.966 -8.070 -13.164 1.00 2.79 H new ATOM 0 HD21 LEU A 83 -0.704 -9.309 -15.344 1.00 2.83 H new ATOM 0 HD22 LEU A 83 0.798 -10.024 -14.712 1.00 2.83 H new ATOM 0 HD23 LEU A 83 -0.696 -10.989 -14.758 1.00 2.83 H new ATOM 798 N GLN A 84 -2.504 -11.137 -10.123 1.00 1.18 N ATOM 799 CA GLN A 84 -3.923 -11.205 -9.761 1.00 1.15 C ATOM 800 C GLN A 84 -4.216 -10.429 -8.464 1.00 1.10 C ATOM 801 O GLN A 84 -5.127 -9.604 -8.447 1.00 1.12 O ATOM 802 CB GLN A 84 -4.306 -12.689 -9.655 1.00 1.19 C ATOM 803 CG GLN A 84 -5.776 -13.003 -9.355 1.00 1.16 C ATOM 804 CD GLN A 84 -5.969 -14.474 -8.971 1.00 1.46 C ATOM 805 OE1 GLN A 84 -5.116 -15.330 -9.171 1.00 2.09 O ATOM 806 NE2 GLN A 84 -7.066 -14.823 -8.348 1.00 1.60 N ATOM 0 H GLN A 84 -2.051 -12.051 -10.143 1.00 1.18 H new ATOM 0 HA GLN A 84 -4.532 -10.726 -10.527 1.00 1.15 H new ATOM 0 HB2 GLN A 84 -4.039 -13.177 -10.592 1.00 1.19 H new ATOM 0 HB3 GLN A 84 -3.695 -13.143 -8.874 1.00 1.19 H new ATOM 0 HG2 GLN A 84 -6.127 -12.365 -8.544 1.00 1.16 H new ATOM 0 HG3 GLN A 84 -6.384 -12.771 -10.229 1.00 1.16 H new ATOM 0 HE21 GLN A 84 -7.793 -14.130 -8.168 1.00 1.60 H new ATOM 0 HE22 GLN A 84 -7.194 -15.788 -8.042 1.00 1.60 H new ATOM 815 N ARG A 85 -3.428 -10.620 -7.390 1.00 1.08 N ATOM 816 CA ARG A 85 -3.613 -9.854 -6.137 1.00 1.06 C ATOM 817 C ARG A 85 -3.285 -8.372 -6.295 1.00 1.00 C ATOM 818 O ARG A 85 -4.035 -7.538 -5.795 1.00 1.00 O ATOM 819 CB ARG A 85 -2.883 -10.478 -4.938 1.00 1.22 C ATOM 820 CG ARG A 85 -1.358 -10.601 -5.060 1.00 1.38 C ATOM 821 CD ARG A 85 -0.807 -11.103 -3.716 1.00 2.20 C ATOM 822 NE ARG A 85 0.526 -11.718 -3.842 1.00 3.42 N ATOM 823 CZ ARG A 85 0.834 -12.999 -3.738 1.00 4.80 C ATOM 824 NH1 ARG A 85 -0.011 -13.935 -3.418 1.00 5.39 N ATOM 825 NH2 ARG A 85 2.048 -13.397 -3.944 1.00 6.11 N ATOM 0 H ARG A 85 -2.662 -11.292 -7.361 1.00 1.08 H new ATOM 0 HA ARG A 85 -4.678 -9.916 -5.915 1.00 1.06 H new ATOM 0 HB2 ARG A 85 -3.109 -9.883 -4.053 1.00 1.22 H new ATOM 0 HB3 ARG A 85 -3.294 -11.473 -4.767 1.00 1.22 H new ATOM 0 HG2 ARG A 85 -1.095 -11.293 -5.861 1.00 1.38 H new ATOM 0 HG3 ARG A 85 -0.918 -9.637 -5.315 1.00 1.38 H new ATOM 0 HD2 ARG A 85 -0.753 -10.269 -3.016 1.00 2.20 H new ATOM 0 HD3 ARG A 85 -1.500 -11.830 -3.293 1.00 2.20 H new ATOM 0 HE ARG A 85 1.300 -11.082 -4.031 1.00 3.42 H new ATOM 0 HH11 ARG A 85 -0.985 -13.700 -3.228 1.00 5.39 H new ATOM 0 HH12 ARG A 85 0.301 -14.904 -3.357 1.00 5.39 H new ATOM 0 HH21 ARG A 85 2.772 -12.721 -4.188 1.00 6.11 H new ATOM 0 HH22 ARG A 85 2.281 -14.387 -3.863 1.00 6.11 H new ATOM 839 N HIS A 86 -2.226 -8.035 -7.031 1.00 0.97 N ATOM 840 CA HIS A 86 -1.927 -6.650 -7.402 1.00 0.91 C ATOM 841 C HIS A 86 -3.127 -5.995 -8.121 1.00 0.98 C ATOM 842 O HIS A 86 -3.628 -4.968 -7.660 1.00 0.97 O ATOM 843 CB HIS A 86 -0.642 -6.647 -8.246 1.00 0.98 C ATOM 844 CG HIS A 86 0.634 -6.442 -7.464 1.00 0.91 C ATOM 845 ND1 HIS A 86 1.626 -5.533 -7.754 1.00 0.90 N ATOM 846 CD2 HIS A 86 1.073 -7.177 -6.395 1.00 1.03 C ATOM 847 CE1 HIS A 86 2.622 -5.700 -6.871 1.00 0.90 C ATOM 848 NE2 HIS A 86 2.331 -6.695 -6.010 1.00 0.98 N ATOM 0 H HIS A 86 -1.552 -8.712 -7.387 1.00 0.97 H new ATOM 0 HA HIS A 86 -1.757 -6.043 -6.513 1.00 0.91 H new ATOM 0 HB2 HIS A 86 -0.574 -7.594 -8.781 1.00 0.98 H new ATOM 0 HB3 HIS A 86 -0.720 -5.861 -8.997 1.00 0.98 H new ATOM 0 HD1 HIS A 86 1.607 -4.849 -8.511 1.00 0.90 H new ATOM 0 HD2 HIS A 86 0.539 -7.991 -5.927 1.00 1.03 H new ATOM 0 HE1 HIS A 86 3.531 -5.118 -6.853 1.00 0.90 H new ATOM 856 N ARG A 87 -3.681 -6.625 -9.171 1.00 1.09 N ATOM 857 CA ARG A 87 -4.857 -6.105 -9.895 1.00 1.17 C ATOM 858 C ARG A 87 -6.093 -5.977 -9.002 1.00 1.19 C ATOM 859 O ARG A 87 -6.769 -4.957 -9.078 1.00 1.23 O ATOM 860 CB ARG A 87 -5.131 -6.955 -11.149 1.00 1.26 C ATOM 861 CG ARG A 87 -6.135 -6.271 -12.098 1.00 2.19 C ATOM 862 CD ARG A 87 -6.241 -7.056 -13.410 1.00 2.41 C ATOM 863 NE ARG A 87 -7.044 -6.360 -14.435 1.00 2.92 N ATOM 864 CZ ARG A 87 -6.912 -6.506 -15.743 1.00 3.42 C ATOM 865 NH1 ARG A 87 -6.045 -7.316 -16.276 1.00 3.88 N ATOM 866 NH2 ARG A 87 -7.640 -5.823 -16.570 1.00 4.23 N ATOM 0 H ARG A 87 -3.328 -7.507 -9.542 1.00 1.09 H new ATOM 0 HA ARG A 87 -4.624 -5.090 -10.216 1.00 1.17 H new ATOM 0 HB2 ARG A 87 -4.195 -7.134 -11.678 1.00 1.26 H new ATOM 0 HB3 ARG A 87 -5.519 -7.929 -10.850 1.00 1.26 H new ATOM 0 HG2 ARG A 87 -7.114 -6.210 -11.622 1.00 2.19 H new ATOM 0 HG3 ARG A 87 -5.816 -5.249 -12.302 1.00 2.19 H new ATOM 0 HD2 ARG A 87 -5.240 -7.236 -13.801 1.00 2.41 H new ATOM 0 HD3 ARG A 87 -6.685 -8.031 -13.209 1.00 2.41 H new ATOM 0 HE ARG A 87 -7.761 -5.712 -14.107 1.00 2.92 H new ATOM 0 HH11 ARG A 87 -5.432 -7.871 -15.679 1.00 3.88 H new ATOM 0 HH12 ARG A 87 -5.979 -7.396 -17.291 1.00 3.88 H new ATOM 0 HH21 ARG A 87 -8.329 -5.160 -16.215 1.00 4.23 H new ATOM 0 HH22 ARG A 87 -7.524 -5.949 -17.576 1.00 4.23 H new ATOM 880 N LEU A 88 -6.348 -6.932 -8.104 1.00 1.20 N ATOM 881 CA LEU A 88 -7.439 -6.857 -7.119 1.00 1.29 C ATOM 882 C LEU A 88 -7.297 -5.650 -6.171 1.00 1.26 C ATOM 883 O LEU A 88 -8.280 -4.950 -5.926 1.00 1.42 O ATOM 884 CB LEU A 88 -7.512 -8.188 -6.334 1.00 1.37 C ATOM 885 CG LEU A 88 -8.650 -9.155 -6.720 1.00 1.79 C ATOM 886 CD1 LEU A 88 -10.014 -8.619 -6.284 1.00 2.90 C ATOM 887 CD2 LEU A 88 -8.700 -9.465 -8.217 1.00 3.57 C ATOM 0 H LEU A 88 -5.799 -7.789 -8.037 1.00 1.20 H new ATOM 0 HA LEU A 88 -8.374 -6.704 -7.658 1.00 1.29 H new ATOM 0 HB2 LEU A 88 -6.564 -8.710 -6.460 1.00 1.37 H new ATOM 0 HB3 LEU A 88 -7.609 -7.954 -5.274 1.00 1.37 H new ATOM 0 HG LEU A 88 -8.427 -10.081 -6.190 1.00 1.79 H new ATOM 0 HD11 LEU A 88 -10.792 -9.326 -6.572 1.00 2.90 H new ATOM 0 HD12 LEU A 88 -10.025 -8.489 -5.202 1.00 2.90 H new ATOM 0 HD13 LEU A 88 -10.199 -7.659 -6.767 1.00 2.90 H new ATOM 0 HD21 LEU A 88 -9.523 -10.150 -8.419 1.00 3.57 H new ATOM 0 HD22 LEU A 88 -8.852 -8.541 -8.775 1.00 3.57 H new ATOM 0 HD23 LEU A 88 -7.761 -9.925 -8.525 1.00 3.57 H new ATOM 899 N VAL A 89 -6.089 -5.358 -5.676 1.00 1.13 N ATOM 900 CA VAL A 89 -5.811 -4.162 -4.849 1.00 1.13 C ATOM 901 C VAL A 89 -5.967 -2.868 -5.659 1.00 1.10 C ATOM 902 O VAL A 89 -6.526 -1.888 -5.185 1.00 1.15 O ATOM 903 CB VAL A 89 -4.390 -4.252 -4.245 1.00 1.14 C ATOM 904 CG1 VAL A 89 -3.953 -2.970 -3.526 1.00 1.18 C ATOM 905 CG2 VAL A 89 -4.294 -5.378 -3.213 1.00 1.30 C ATOM 0 H VAL A 89 -5.268 -5.943 -5.834 1.00 1.13 H new ATOM 0 HA VAL A 89 -6.542 -4.135 -4.041 1.00 1.13 H new ATOM 0 HB VAL A 89 -3.740 -4.432 -5.101 1.00 1.14 H new ATOM 0 HG11 VAL A 89 -2.948 -3.102 -3.126 1.00 1.18 H new ATOM 0 HG12 VAL A 89 -3.957 -2.138 -4.230 1.00 1.18 H new ATOM 0 HG13 VAL A 89 -4.643 -2.758 -2.709 1.00 1.18 H new ATOM 0 HG21 VAL A 89 -3.283 -5.415 -2.807 1.00 1.30 H new ATOM 0 HG22 VAL A 89 -5.002 -5.193 -2.405 1.00 1.30 H new ATOM 0 HG23 VAL A 89 -4.528 -6.330 -3.690 1.00 1.30 H new ATOM 915 N HIS A 90 -5.506 -2.865 -6.902 1.00 1.07 N ATOM 916 CA HIS A 90 -5.471 -1.709 -7.800 1.00 1.11 C ATOM 917 C HIS A 90 -6.874 -1.340 -8.280 1.00 1.23 C ATOM 918 O HIS A 90 -7.214 -0.161 -8.330 1.00 1.39 O ATOM 919 CB HIS A 90 -4.596 -2.014 -9.027 1.00 1.13 C ATOM 920 CG HIS A 90 -3.103 -2.109 -8.824 1.00 1.05 C ATOM 921 ND1 HIS A 90 -2.191 -2.137 -9.854 1.00 1.12 N ATOM 922 CD2 HIS A 90 -2.392 -2.217 -7.656 1.00 1.04 C ATOM 923 CE1 HIS A 90 -0.963 -2.273 -9.329 1.00 1.08 C ATOM 924 NE2 HIS A 90 -1.030 -2.284 -7.987 1.00 1.03 N ATOM 0 H HIS A 90 -5.127 -3.707 -7.336 1.00 1.07 H new ATOM 0 HA HIS A 90 -5.053 -0.872 -7.241 1.00 1.11 H new ATOM 0 HB2 HIS A 90 -4.936 -2.957 -9.454 1.00 1.13 H new ATOM 0 HB3 HIS A 90 -4.784 -1.241 -9.772 1.00 1.13 H new ATOM 0 HD1 HIS A 90 -2.411 -2.066 -10.848 1.00 1.12 H new ATOM 0 HD2 HIS A 90 -2.807 -2.245 -6.659 1.00 1.04 H new ATOM 0 HE1 HIS A 90 -0.052 -2.361 -9.903 1.00 1.08 H new ATOM 932 N ALA A 91 -7.697 -2.329 -8.632 1.00 1.22 N ATOM 933 CA ALA A 91 -9.046 -2.112 -9.130 1.00 1.31 C ATOM 934 C ALA A 91 -10.066 -1.942 -7.999 1.00 1.37 C ATOM 935 O ALA A 91 -10.976 -1.118 -8.144 1.00 1.48 O ATOM 936 CB ALA A 91 -9.396 -3.260 -10.086 1.00 1.41 C ATOM 0 H ALA A 91 -7.437 -3.314 -8.577 1.00 1.22 H new ATOM 0 HA ALA A 91 -9.087 -1.170 -9.678 1.00 1.31 H new ATOM 0 HB1 ALA A 91 -10.405 -3.117 -10.472 1.00 1.41 H new ATOM 0 HB2 ALA A 91 -8.689 -3.271 -10.915 1.00 1.41 H new ATOM 0 HB3 ALA A 91 -9.343 -4.208 -9.551 1.00 1.41 H new ATOM 942 N ALA A 92 -9.900 -2.626 -6.856 1.00 1.35 N ATOM 943 CA ALA A 92 -10.756 -2.360 -5.705 1.00 1.46 C ATOM 944 C ALA A 92 -10.423 -1.048 -5.019 1.00 1.48 C ATOM 945 O ALA A 92 -11.333 -0.266 -4.713 1.00 1.74 O ATOM 946 CB ALA A 92 -10.682 -3.509 -4.681 1.00 1.67 C ATOM 0 H ALA A 92 -9.196 -3.350 -6.711 1.00 1.35 H new ATOM 0 HA ALA A 92 -11.771 -2.285 -6.094 1.00 1.46 H new ATOM 0 HB1 ALA A 92 -11.330 -3.284 -3.834 1.00 1.67 H new ATOM 0 HB2 ALA A 92 -11.009 -4.437 -5.151 1.00 1.67 H new ATOM 0 HB3 ALA A 92 -9.655 -3.621 -4.333 1.00 1.67 H new ATOM 952 N LEU A 93 -9.141 -0.812 -4.724 1.00 1.31 N ATOM 953 CA LEU A 93 -8.845 0.121 -3.632 1.00 1.26 C ATOM 954 C LEU A 93 -8.316 1.471 -4.059 1.00 1.15 C ATOM 955 O LEU A 93 -7.923 2.259 -3.205 1.00 1.12 O ATOM 956 CB LEU A 93 -7.942 -0.538 -2.603 1.00 1.31 C ATOM 957 CG LEU A 93 -8.598 -1.669 -1.794 1.00 1.52 C ATOM 958 CD1 LEU A 93 -7.964 -1.515 -0.436 1.00 1.92 C ATOM 959 CD2 LEU A 93 -10.109 -1.612 -1.539 1.00 2.83 C ATOM 0 H LEU A 93 -8.335 -1.225 -5.193 1.00 1.31 H new ATOM 0 HA LEU A 93 -9.809 0.351 -3.178 1.00 1.26 H new ATOM 0 HB2 LEU A 93 -7.066 -0.937 -3.113 1.00 1.31 H new ATOM 0 HB3 LEU A 93 -7.587 0.225 -1.911 1.00 1.31 H new ATOM 0 HG LEU A 93 -8.453 -2.588 -2.363 1.00 1.52 H new ATOM 0 HD11 LEU A 93 -8.358 -2.276 0.238 1.00 1.92 H new ATOM 0 HD12 LEU A 93 -6.884 -1.631 -0.523 1.00 1.92 H new ATOM 0 HD13 LEU A 93 -8.191 -0.526 -0.038 1.00 1.92 H new ATOM 0 HD21 LEU A 93 -10.413 -2.481 -0.956 1.00 2.83 H new ATOM 0 HD22 LEU A 93 -10.351 -0.703 -0.988 1.00 2.83 H new ATOM 0 HD23 LEU A 93 -10.639 -1.611 -2.491 1.00 2.83 H new ATOM 971 N ALA A 94 -8.315 1.739 -5.356 1.00 1.19 N ATOM 972 CA ALA A 94 -7.548 2.872 -5.902 1.00 1.14 C ATOM 973 C ALA A 94 -7.706 4.205 -5.152 1.00 1.09 C ATOM 974 O ALA A 94 -6.715 4.881 -4.871 1.00 1.04 O ATOM 975 CB ALA A 94 -7.901 3.075 -7.377 1.00 1.47 C ATOM 0 H ALA A 94 -8.828 1.199 -6.053 1.00 1.19 H new ATOM 0 HA ALA A 94 -6.503 2.590 -5.773 1.00 1.14 H new ATOM 0 HB1 ALA A 94 -7.331 3.914 -7.775 1.00 1.47 H new ATOM 0 HB2 ALA A 94 -7.657 2.172 -7.937 1.00 1.47 H new ATOM 0 HB3 ALA A 94 -8.967 3.283 -7.471 1.00 1.47 H new ATOM 981 N GLU A 95 -8.926 4.534 -4.733 1.00 1.23 N ATOM 982 CA GLU A 95 -9.216 5.761 -3.997 1.00 1.32 C ATOM 983 C GLU A 95 -8.526 5.858 -2.636 1.00 1.49 C ATOM 984 O GLU A 95 -8.138 6.948 -2.208 1.00 1.77 O ATOM 985 CB GLU A 95 -10.734 5.907 -3.819 1.00 1.61 C ATOM 986 CG GLU A 95 -11.467 4.710 -3.187 1.00 3.03 C ATOM 987 CD GLU A 95 -12.955 5.018 -2.991 1.00 3.72 C ATOM 988 OE1 GLU A 95 -13.296 5.760 -2.037 1.00 4.73 O ATOM 989 OE2 GLU A 95 -13.799 4.496 -3.762 1.00 4.11 O ATOM 0 H GLU A 95 -9.747 3.951 -4.896 1.00 1.23 H new ATOM 0 HA GLU A 95 -8.811 6.576 -4.597 1.00 1.32 H new ATOM 0 HB2 GLU A 95 -10.923 6.787 -3.204 1.00 1.61 H new ATOM 0 HB3 GLU A 95 -11.176 6.101 -4.797 1.00 1.61 H new ATOM 0 HG2 GLU A 95 -11.354 3.833 -3.824 1.00 3.03 H new ATOM 0 HG3 GLU A 95 -11.013 4.467 -2.226 1.00 3.03 H new ATOM 996 N GLU A 96 -8.397 4.739 -1.930 1.00 1.47 N ATOM 997 CA GLU A 96 -7.787 4.666 -0.613 1.00 1.73 C ATOM 998 C GLU A 96 -6.287 4.352 -0.656 1.00 1.47 C ATOM 999 O GLU A 96 -5.515 4.882 0.147 1.00 1.80 O ATOM 1000 CB GLU A 96 -8.667 3.847 0.314 1.00 2.17 C ATOM 1001 CG GLU A 96 -9.155 2.543 -0.288 1.00 2.10 C ATOM 1002 CD GLU A 96 -10.168 1.819 0.609 1.00 1.98 C ATOM 1003 OE1 GLU A 96 -11.247 1.420 0.098 1.00 1.86 O ATOM 1004 OE2 GLU A 96 -9.964 1.688 1.836 1.00 3.11 O ATOM 0 H GLU A 96 -8.724 3.835 -2.270 1.00 1.47 H new ATOM 0 HA GLU A 96 -7.757 5.654 -0.153 1.00 1.73 H new ATOM 0 HB2 GLU A 96 -8.111 3.628 1.226 1.00 2.17 H new ATOM 0 HB3 GLU A 96 -9.530 4.447 0.603 1.00 2.17 H new ATOM 0 HG2 GLU A 96 -9.612 2.744 -1.257 1.00 2.10 H new ATOM 0 HG3 GLU A 96 -8.302 1.889 -0.467 1.00 2.10 H new ATOM 1011 N LEU A 97 -5.867 3.599 -1.677 1.00 1.05 N ATOM 1012 CA LEU A 97 -4.483 3.362 -2.079 1.00 1.08 C ATOM 1013 C LEU A 97 -3.736 4.646 -2.449 1.00 1.20 C ATOM 1014 O LEU A 97 -2.566 4.818 -2.115 1.00 1.60 O ATOM 1015 CB LEU A 97 -4.528 2.464 -3.333 1.00 1.39 C ATOM 1016 CG LEU A 97 -3.416 1.408 -3.416 1.00 1.80 C ATOM 1017 CD1 LEU A 97 -3.616 0.301 -2.378 1.00 1.87 C ATOM 1018 CD2 LEU A 97 -3.424 0.759 -4.802 1.00 3.11 C ATOM 0 H LEU A 97 -6.528 3.110 -2.280 1.00 1.05 H new ATOM 0 HA LEU A 97 -3.956 2.910 -1.239 1.00 1.08 H new ATOM 0 HB2 LEU A 97 -5.493 1.957 -3.364 1.00 1.39 H new ATOM 0 HB3 LEU A 97 -4.473 3.098 -4.218 1.00 1.39 H new ATOM 0 HG LEU A 97 -2.470 1.914 -3.225 1.00 1.80 H new ATOM 0 HD11 LEU A 97 -2.811 -0.429 -2.465 1.00 1.87 H new ATOM 0 HD12 LEU A 97 -3.606 0.734 -1.378 1.00 1.87 H new ATOM 0 HD13 LEU A 97 -4.573 -0.191 -2.551 1.00 1.87 H new ATOM 0 HD21 LEU A 97 -2.634 0.010 -4.858 1.00 3.11 H new ATOM 0 HD22 LEU A 97 -4.389 0.282 -4.975 1.00 3.11 H new ATOM 0 HD23 LEU A 97 -3.255 1.522 -5.562 1.00 3.11 H new ATOM 1030 N GLY A 98 -4.411 5.507 -3.211 1.00 1.26 N ATOM 1031 CA GLY A 98 -3.709 6.409 -4.131 1.00 1.63 C ATOM 1032 C GLY A 98 -4.581 7.473 -4.790 1.00 1.72 C ATOM 1033 O GLY A 98 -4.161 8.139 -5.734 1.00 2.28 O ATOM 0 H GLY A 98 -5.427 5.601 -3.212 1.00 1.26 H new ATOM 0 HA2 GLY A 98 -2.907 6.906 -3.585 1.00 1.63 H new ATOM 0 HA3 GLY A 98 -3.240 5.812 -4.913 1.00 1.63 H new ATOM 1037 N GLY A 99 -5.791 7.640 -4.275 1.00 1.62 N ATOM 1038 CA GLY A 99 -6.797 8.583 -4.768 1.00 2.20 C ATOM 1039 C GLY A 99 -6.303 10.032 -4.756 1.00 2.44 C ATOM 1040 O GLY A 99 -6.381 10.694 -5.795 1.00 2.76 O ATOM 0 H GLY A 99 -6.116 7.103 -3.471 1.00 1.62 H new ATOM 0 HA2 GLY A 99 -7.080 8.308 -5.784 1.00 2.20 H new ATOM 0 HA3 GLY A 99 -7.695 8.504 -4.155 1.00 2.20 H new ATOM 1044 N PRO A 100 -5.729 10.518 -3.635 1.00 2.40 N ATOM 1045 CA PRO A 100 -5.114 11.842 -3.532 1.00 2.68 C ATOM 1046 C PRO A 100 -3.597 11.831 -3.832 1.00 2.30 C ATOM 1047 O PRO A 100 -2.845 12.674 -3.329 1.00 2.24 O ATOM 1048 CB PRO A 100 -5.465 12.269 -2.106 1.00 2.99 C ATOM 1049 CG PRO A 100 -5.293 10.974 -1.319 1.00 2.67 C ATOM 1050 CD PRO A 100 -5.843 9.934 -2.296 1.00 2.33 C ATOM 0 HA PRO A 100 -5.483 12.547 -4.277 1.00 2.68 H new ATOM 0 HB2 PRO A 100 -4.802 13.055 -1.743 1.00 2.99 H new ATOM 0 HB3 PRO A 100 -6.483 12.653 -2.037 1.00 2.99 H new ATOM 0 HG2 PRO A 100 -4.250 10.785 -1.067 1.00 2.67 H new ATOM 0 HG3 PRO A 100 -5.850 10.989 -0.382 1.00 2.67 H new ATOM 0 HD2 PRO A 100 -5.279 9.003 -2.230 1.00 2.33 H new ATOM 0 HD3 PRO A 100 -6.881 9.695 -2.064 1.00 2.33 H new ATOM 1058 N VAL A 101 -3.118 10.831 -4.584 1.00 2.10 N ATOM 1059 CA VAL A 101 -1.696 10.549 -4.842 1.00 1.75 C ATOM 1060 C VAL A 101 -1.432 10.596 -6.353 1.00 1.91 C ATOM 1061 O VAL A 101 -2.240 10.129 -7.155 1.00 2.20 O ATOM 1062 CB VAL A 101 -1.275 9.207 -4.201 1.00 1.47 C ATOM 1063 CG1 VAL A 101 0.206 8.934 -4.339 1.00 2.07 C ATOM 1064 CG2 VAL A 101 -1.598 9.135 -2.701 1.00 1.83 C ATOM 0 H VAL A 101 -3.736 10.167 -5.050 1.00 2.10 H new ATOM 0 HA VAL A 101 -1.078 11.315 -4.374 1.00 1.75 H new ATOM 0 HB VAL A 101 -1.853 8.462 -4.748 1.00 1.47 H new ATOM 0 HG11 VAL A 101 0.445 7.979 -3.871 1.00 2.07 H new ATOM 0 HG12 VAL A 101 0.472 8.897 -5.395 1.00 2.07 H new ATOM 0 HG13 VAL A 101 0.770 9.729 -3.850 1.00 2.07 H new ATOM 0 HG21 VAL A 101 -1.280 8.170 -2.306 1.00 1.83 H new ATOM 0 HG22 VAL A 101 -1.072 9.933 -2.177 1.00 1.83 H new ATOM 0 HG23 VAL A 101 -2.672 9.251 -2.554 1.00 1.83 H new ATOM 1074 N HIS A 102 -0.311 11.192 -6.760 1.00 1.85 N ATOM 1075 CA HIS A 102 -0.005 11.538 -8.155 1.00 2.04 C ATOM 1076 C HIS A 102 0.978 10.548 -8.809 1.00 2.10 C ATOM 1077 O HIS A 102 0.861 10.286 -10.009 1.00 2.39 O ATOM 1078 CB HIS A 102 0.510 12.988 -8.210 1.00 1.99 C ATOM 1079 CG HIS A 102 -0.508 14.027 -7.784 1.00 2.16 C ATOM 1080 ND1 HIS A 102 -1.075 14.984 -8.594 1.00 2.81 N ATOM 1081 CD2 HIS A 102 -1.044 14.205 -6.536 1.00 2.70 C ATOM 1082 CE1 HIS A 102 -1.938 15.707 -7.863 1.00 3.81 C ATOM 1083 NE2 HIS A 102 -1.965 15.260 -6.593 1.00 3.93 N ATOM 0 H HIS A 102 0.432 11.456 -6.113 1.00 1.85 H new ATOM 0 HA HIS A 102 -0.921 11.462 -8.741 1.00 2.04 H new ATOM 0 HB2 HIS A 102 1.389 13.074 -7.571 1.00 1.99 H new ATOM 0 HB3 HIS A 102 0.833 13.208 -9.227 1.00 1.99 H new ATOM 0 HD2 HIS A 102 -0.798 13.629 -5.656 1.00 2.70 H new ATOM 0 HE1 HIS A 102 -2.527 16.530 -8.240 1.00 3.81 H new ATOM 0 HE2 HIS A 102 -2.539 15.616 -5.829 1.00 3.93 H new ATOM 1091 N ALA A 103 1.887 9.954 -8.029 1.00 1.86 N ATOM 1092 CA ALA A 103 2.719 8.810 -8.412 1.00 1.84 C ATOM 1093 C ALA A 103 2.817 7.809 -7.253 1.00 1.51 C ATOM 1094 O ALA A 103 3.005 8.215 -6.102 1.00 1.35 O ATOM 1095 CB ALA A 103 4.125 9.286 -8.786 1.00 1.89 C ATOM 0 H ALA A 103 2.070 10.270 -7.077 1.00 1.86 H new ATOM 0 HA ALA A 103 2.258 8.322 -9.271 1.00 1.84 H new ATOM 0 HB1 ALA A 103 4.736 8.429 -9.069 1.00 1.89 H new ATOM 0 HB2 ALA A 103 4.063 9.980 -9.624 1.00 1.89 H new ATOM 0 HB3 ALA A 103 4.578 9.788 -7.931 1.00 1.89 H new ATOM 1101 N LEU A 104 2.713 6.509 -7.529 1.00 1.41 N ATOM 1102 CA LEU A 104 2.853 5.467 -6.526 1.00 1.15 C ATOM 1103 C LEU A 104 3.193 4.055 -7.029 1.00 1.02 C ATOM 1104 O LEU A 104 2.896 3.688 -8.171 1.00 1.20 O ATOM 1105 CB LEU A 104 1.609 5.430 -5.629 1.00 1.23 C ATOM 1106 CG LEU A 104 0.281 4.881 -6.184 1.00 1.49 C ATOM 1107 CD1 LEU A 104 -0.651 4.664 -4.989 1.00 1.54 C ATOM 1108 CD2 LEU A 104 -0.416 5.837 -7.155 1.00 1.90 C ATOM 0 H LEU A 104 2.527 6.152 -8.466 1.00 1.41 H new ATOM 0 HA LEU A 104 3.741 5.759 -5.966 1.00 1.15 H new ATOM 0 HB2 LEU A 104 1.861 4.841 -4.747 1.00 1.23 H new ATOM 0 HB3 LEU A 104 1.423 6.449 -5.289 1.00 1.23 H new ATOM 0 HG LEU A 104 0.501 3.967 -6.736 1.00 1.49 H new ATOM 0 HD11 LEU A 104 -1.607 4.274 -5.339 1.00 1.54 H new ATOM 0 HD12 LEU A 104 -0.199 3.951 -4.300 1.00 1.54 H new ATOM 0 HD13 LEU A 104 -0.812 5.612 -4.476 1.00 1.54 H new ATOM 0 HD21 LEU A 104 -1.344 5.386 -7.506 1.00 1.90 H new ATOM 0 HD22 LEU A 104 -0.638 6.775 -6.646 1.00 1.90 H new ATOM 0 HD23 LEU A 104 0.237 6.032 -8.006 1.00 1.90 H new ATOM 1120 N ALA A 105 3.768 3.252 -6.123 1.00 0.76 N ATOM 1121 CA ALA A 105 3.920 1.800 -6.297 1.00 0.69 C ATOM 1122 C ALA A 105 3.586 0.979 -5.029 1.00 0.63 C ATOM 1123 O ALA A 105 3.977 1.339 -3.912 1.00 0.62 O ATOM 1124 CB ALA A 105 5.333 1.500 -6.813 1.00 0.81 C ATOM 0 H ALA A 105 4.145 3.595 -5.240 1.00 0.76 H new ATOM 0 HA ALA A 105 3.183 1.480 -7.034 1.00 0.69 H new ATOM 0 HB1 ALA A 105 5.452 0.424 -6.944 1.00 0.81 H new ATOM 0 HB2 ALA A 105 5.485 2.001 -7.769 1.00 0.81 H new ATOM 0 HB3 ALA A 105 6.068 1.861 -6.093 1.00 0.81 H new ATOM 1130 N ILE A 106 2.912 -0.166 -5.205 1.00 0.66 N ATOM 1131 CA ILE A 106 2.691 -1.165 -4.155 1.00 0.61 C ATOM 1132 C ILE A 106 3.343 -2.510 -4.489 1.00 0.73 C ATOM 1133 O ILE A 106 3.494 -2.872 -5.659 1.00 0.86 O ATOM 1134 CB ILE A 106 1.192 -1.324 -3.814 1.00 0.66 C ATOM 1135 CG1 ILE A 106 0.315 -1.975 -4.912 1.00 0.87 C ATOM 1136 CG2 ILE A 106 0.607 0.036 -3.396 1.00 0.77 C ATOM 1137 CD1 ILE A 106 0.176 -3.503 -4.802 1.00 0.84 C ATOM 0 H ILE A 106 2.498 -0.427 -6.100 1.00 0.66 H new ATOM 0 HA ILE A 106 3.185 -0.789 -3.259 1.00 0.61 H new ATOM 0 HB ILE A 106 1.163 -2.035 -2.988 1.00 0.66 H new ATOM 0 HG12 ILE A 106 -0.679 -1.530 -4.875 1.00 0.87 H new ATOM 0 HG13 ILE A 106 0.737 -1.732 -5.887 1.00 0.87 H new ATOM 0 HG21 ILE A 106 -0.450 -0.081 -3.157 1.00 0.77 H new ATOM 0 HG22 ILE A 106 1.139 0.407 -2.520 1.00 0.77 H new ATOM 0 HG23 ILE A 106 0.717 0.747 -4.215 1.00 0.77 H new ATOM 0 HD11 ILE A 106 -0.455 -3.870 -5.612 1.00 0.84 H new ATOM 0 HD12 ILE A 106 1.161 -3.964 -4.872 1.00 0.84 H new ATOM 0 HD13 ILE A 106 -0.277 -3.759 -3.844 1.00 0.84 H new ATOM 1149 N GLN A 107 3.673 -3.265 -3.438 1.00 0.74 N ATOM 1150 CA GLN A 107 4.022 -4.686 -3.496 1.00 0.82 C ATOM 1151 C GLN A 107 3.219 -5.465 -2.437 1.00 0.68 C ATOM 1152 O GLN A 107 3.289 -5.156 -1.243 1.00 0.66 O ATOM 1153 CB GLN A 107 5.540 -4.867 -3.332 1.00 1.04 C ATOM 1154 CG GLN A 107 6.323 -4.300 -4.532 1.00 1.35 C ATOM 1155 CD GLN A 107 7.829 -4.447 -4.355 1.00 1.84 C ATOM 1156 OE1 GLN A 107 8.472 -5.289 -4.970 1.00 3.39 O ATOM 1157 NE2 GLN A 107 8.444 -3.646 -3.518 1.00 2.32 N ATOM 0 H GLN A 107 3.706 -2.890 -2.490 1.00 0.74 H new ATOM 0 HA GLN A 107 3.755 -5.092 -4.472 1.00 0.82 H new ATOM 0 HB2 GLN A 107 5.867 -4.371 -2.419 1.00 1.04 H new ATOM 0 HB3 GLN A 107 5.768 -5.927 -3.218 1.00 1.04 H new ATOM 0 HG2 GLN A 107 6.014 -4.814 -5.442 1.00 1.35 H new ATOM 0 HG3 GLN A 107 6.075 -3.247 -4.661 1.00 1.35 H new ATOM 0 HE21 GLN A 107 7.915 -2.943 -3.003 1.00 2.32 H new ATOM 0 HE22 GLN A 107 9.452 -3.726 -3.382 1.00 2.32 H new ATOM 1166 N ALA A 108 2.444 -6.462 -2.883 1.00 0.73 N ATOM 1167 CA ALA A 108 1.513 -7.239 -2.058 1.00 0.67 C ATOM 1168 C ALA A 108 1.912 -8.721 -1.996 1.00 0.80 C ATOM 1169 O ALA A 108 1.918 -9.408 -3.018 1.00 1.15 O ATOM 1170 CB ALA A 108 0.094 -7.035 -2.607 1.00 0.80 C ATOM 0 H ALA A 108 2.449 -6.759 -3.859 1.00 0.73 H new ATOM 0 HA ALA A 108 1.548 -6.885 -1.028 1.00 0.67 H new ATOM 0 HB1 ALA A 108 -0.614 -7.606 -2.006 1.00 0.80 H new ATOM 0 HB2 ALA A 108 -0.164 -5.977 -2.564 1.00 0.80 H new ATOM 0 HB3 ALA A 108 0.051 -7.378 -3.641 1.00 0.80 H new ATOM 1176 N ARG A 109 2.262 -9.208 -0.799 1.00 0.64 N ATOM 1177 CA ARG A 109 2.890 -10.522 -0.554 1.00 0.72 C ATOM 1178 C ARG A 109 2.233 -11.303 0.612 1.00 0.60 C ATOM 1179 O ARG A 109 1.276 -10.863 1.266 1.00 0.57 O ATOM 1180 CB ARG A 109 4.414 -10.295 -0.340 1.00 0.97 C ATOM 1181 CG ARG A 109 5.328 -10.346 -1.580 1.00 1.38 C ATOM 1182 CD ARG A 109 5.297 -9.058 -2.418 1.00 1.54 C ATOM 1183 NE ARG A 109 6.421 -8.982 -3.372 1.00 1.84 N ATOM 1184 CZ ARG A 109 7.584 -8.376 -3.207 1.00 1.65 C ATOM 1185 NH1 ARG A 109 7.958 -7.807 -2.097 1.00 2.21 N ATOM 1186 NH2 ARG A 109 8.422 -8.322 -4.192 1.00 2.27 N ATOM 0 H ARG A 109 2.112 -8.681 0.061 1.00 0.64 H new ATOM 0 HA ARG A 109 2.733 -11.160 -1.423 1.00 0.72 H new ATOM 0 HB2 ARG A 109 4.545 -9.322 0.133 1.00 0.97 H new ATOM 0 HB3 ARG A 109 4.768 -11.044 0.368 1.00 0.97 H new ATOM 0 HG2 ARG A 109 6.352 -10.537 -1.259 1.00 1.38 H new ATOM 0 HG3 ARG A 109 5.029 -11.186 -2.208 1.00 1.38 H new ATOM 0 HD2 ARG A 109 4.355 -9.006 -2.965 1.00 1.54 H new ATOM 0 HD3 ARG A 109 5.328 -8.194 -1.754 1.00 1.54 H new ATOM 0 HE ARG A 109 6.284 -9.454 -4.266 1.00 1.84 H new ATOM 0 HH11 ARG A 109 7.338 -7.812 -1.287 1.00 2.21 H new ATOM 0 HH12 ARG A 109 8.871 -7.356 -2.037 1.00 2.21 H new ATOM 0 HH21 ARG A 109 8.183 -8.746 -5.089 1.00 2.27 H new ATOM 0 HH22 ARG A 109 9.321 -7.856 -4.072 1.00 2.27 H new ATOM 1200 N THR A 110 2.770 -12.491 0.886 1.00 0.65 N ATOM 1201 CA THR A 110 2.244 -13.466 1.856 1.00 0.71 C ATOM 1202 C THR A 110 3.137 -13.638 3.110 1.00 0.72 C ATOM 1203 O THR A 110 4.359 -13.408 3.077 1.00 0.71 O ATOM 1204 CB THR A 110 1.948 -14.787 1.127 1.00 0.85 C ATOM 1205 OG1 THR A 110 3.053 -15.178 0.346 1.00 1.10 O ATOM 1206 CG2 THR A 110 0.782 -14.609 0.154 1.00 0.86 C ATOM 0 H THR A 110 3.617 -12.819 0.423 1.00 0.65 H new ATOM 0 HA THR A 110 1.310 -13.078 2.263 1.00 0.71 H new ATOM 0 HB THR A 110 1.720 -15.531 1.891 1.00 0.85 H new ATOM 0 HG1 THR A 110 2.748 -15.422 -0.553 1.00 1.10 H new ATOM 0 HG21 THR A 110 0.585 -15.553 -0.354 1.00 0.86 H new ATOM 0 HG22 THR A 110 -0.107 -14.300 0.704 1.00 0.86 H new ATOM 0 HG23 THR A 110 1.036 -13.847 -0.582 1.00 0.86 H new ATOM 1214 N PRO A 111 2.542 -13.984 4.273 1.00 0.75 N ATOM 1215 CA PRO A 111 3.242 -13.923 5.551 1.00 0.74 C ATOM 1216 C PRO A 111 4.429 -14.873 5.609 1.00 0.80 C ATOM 1217 O PRO A 111 5.511 -14.429 5.968 1.00 0.86 O ATOM 1218 CB PRO A 111 2.199 -14.217 6.634 1.00 0.81 C ATOM 1219 CG PRO A 111 1.107 -14.983 5.886 1.00 1.12 C ATOM 1220 CD PRO A 111 1.149 -14.340 4.500 1.00 0.86 C ATOM 0 HA PRO A 111 3.680 -12.936 5.702 1.00 0.74 H new ATOM 0 HB2 PRO A 111 2.620 -14.810 7.445 1.00 0.81 H new ATOM 0 HB3 PRO A 111 1.813 -13.299 7.078 1.00 0.81 H new ATOM 0 HG2 PRO A 111 1.316 -16.052 5.845 1.00 1.12 H new ATOM 0 HG3 PRO A 111 0.132 -14.867 6.359 1.00 1.12 H new ATOM 0 HD2 PRO A 111 0.792 -15.031 3.737 1.00 0.86 H new ATOM 0 HD3 PRO A 111 0.508 -13.460 4.457 1.00 0.86 H new ATOM 1228 N ALA A 112 4.294 -16.135 5.195 1.00 0.88 N ATOM 1229 CA ALA A 112 5.387 -17.096 5.328 1.00 0.99 C ATOM 1230 C ALA A 112 6.624 -16.738 4.473 1.00 0.95 C ATOM 1231 O ALA A 112 7.743 -17.012 4.910 1.00 1.05 O ATOM 1232 CB ALA A 112 4.841 -18.498 5.028 1.00 1.15 C ATOM 0 H ALA A 112 3.447 -16.511 4.769 1.00 0.88 H new ATOM 0 HA ALA A 112 5.757 -17.066 6.353 1.00 0.99 H new ATOM 0 HB1 ALA A 112 5.644 -19.229 5.123 1.00 1.15 H new ATOM 0 HB2 ALA A 112 4.047 -18.738 5.735 1.00 1.15 H new ATOM 0 HB3 ALA A 112 4.444 -18.524 4.013 1.00 1.15 H new ATOM 1238 N GLN A 113 6.474 -16.037 3.339 1.00 0.89 N ATOM 1239 CA GLN A 113 7.626 -15.442 2.651 1.00 0.88 C ATOM 1240 C GLN A 113 8.145 -14.199 3.389 1.00 0.81 C ATOM 1241 O GLN A 113 9.366 -14.069 3.500 1.00 0.92 O ATOM 1242 CB GLN A 113 7.383 -15.196 1.152 1.00 0.96 C ATOM 1243 CG GLN A 113 6.321 -14.136 0.857 1.00 0.90 C ATOM 1244 CD GLN A 113 6.260 -13.770 -0.619 1.00 1.15 C ATOM 1245 OE1 GLN A 113 7.183 -13.182 -1.160 1.00 2.00 O ATOM 1246 NE2 GLN A 113 5.191 -14.080 -1.318 1.00 2.00 N ATOM 0 H GLN A 113 5.576 -15.870 2.884 1.00 0.89 H new ATOM 0 HA GLN A 113 8.423 -16.185 2.684 1.00 0.88 H new ATOM 0 HB2 GLN A 113 8.322 -14.893 0.688 1.00 0.96 H new ATOM 0 HB3 GLN A 113 7.084 -16.134 0.685 1.00 0.96 H new ATOM 0 HG2 GLN A 113 5.346 -14.503 1.178 1.00 0.90 H new ATOM 0 HG3 GLN A 113 6.533 -13.241 1.442 1.00 0.90 H new ATOM 0 HE21 GLN A 113 4.416 -14.571 -0.873 1.00 2.00 H new ATOM 0 HE22 GLN A 113 5.137 -13.829 -2.305 1.00 2.00 H new ATOM 1255 N TRP A 114 7.291 -13.333 3.972 1.00 0.72 N ATOM 1256 CA TRP A 114 7.798 -12.254 4.855 1.00 0.71 C ATOM 1257 C TRP A 114 8.604 -12.781 6.058 1.00 0.81 C ATOM 1258 O TRP A 114 9.547 -12.118 6.508 1.00 0.86 O ATOM 1259 CB TRP A 114 6.668 -11.361 5.388 1.00 0.64 C ATOM 1260 CG TRP A 114 7.152 -10.143 6.109 1.00 0.66 C ATOM 1261 CD1 TRP A 114 7.315 -10.042 7.443 1.00 0.74 C ATOM 1262 CD2 TRP A 114 7.511 -8.833 5.578 1.00 0.66 C ATOM 1263 NE1 TRP A 114 7.928 -8.845 7.749 1.00 0.76 N ATOM 1264 CE2 TRP A 114 8.060 -8.051 6.637 1.00 0.74 C ATOM 1265 CE3 TRP A 114 7.375 -8.197 4.326 1.00 0.70 C ATOM 1266 CZ2 TRP A 114 8.520 -6.739 6.457 1.00 0.91 C ATOM 1267 CZ3 TRP A 114 7.778 -6.861 4.154 1.00 0.78 C ATOM 1268 CH2 TRP A 114 8.387 -6.143 5.195 1.00 0.92 C ATOM 0 H TRP A 114 6.278 -13.353 3.855 1.00 0.72 H new ATOM 0 HA TRP A 114 8.462 -11.670 4.217 1.00 0.71 H new ATOM 0 HB2 TRP A 114 6.037 -11.052 4.554 1.00 0.64 H new ATOM 0 HB3 TRP A 114 6.042 -11.946 6.062 1.00 0.64 H new ATOM 0 HD1 TRP A 114 7.011 -10.786 8.164 1.00 0.74 H new ATOM 0 HE1 TRP A 114 8.243 -8.583 8.683 1.00 0.76 H new ATOM 0 HE3 TRP A 114 6.957 -8.741 3.492 1.00 0.70 H new ATOM 0 HZ2 TRP A 114 8.969 -6.197 7.276 1.00 0.91 H new ATOM 0 HZ3 TRP A 114 7.616 -6.378 3.202 1.00 0.78 H new ATOM 0 HH2 TRP A 114 8.750 -5.140 5.025 1.00 0.92 H new ATOM 1279 N ARG A 115 8.277 -13.982 6.561 1.00 0.93 N ATOM 1280 CA ARG A 115 9.011 -14.628 7.671 1.00 1.16 C ATOM 1281 C ARG A 115 10.465 -14.912 7.284 1.00 1.32 C ATOM 1282 O ARG A 115 11.349 -14.777 8.123 1.00 1.42 O ATOM 1283 CB ARG A 115 8.327 -15.930 8.141 1.00 1.44 C ATOM 1284 CG ARG A 115 6.909 -15.750 8.709 1.00 1.38 C ATOM 1285 CD ARG A 115 6.222 -17.040 9.171 1.00 2.15 C ATOM 1286 NE ARG A 115 6.847 -17.612 10.379 1.00 2.99 N ATOM 1287 CZ ARG A 115 7.488 -18.759 10.491 1.00 4.57 C ATOM 1288 NH1 ARG A 115 7.754 -19.538 9.487 1.00 5.84 N ATOM 1289 NH2 ARG A 115 7.891 -19.157 11.656 1.00 5.34 N ATOM 0 H ARG A 115 7.496 -14.537 6.212 1.00 0.93 H new ATOM 0 HA ARG A 115 8.999 -13.923 8.503 1.00 1.16 H new ATOM 0 HB2 ARG A 115 8.280 -16.622 7.300 1.00 1.44 H new ATOM 0 HB3 ARG A 115 8.951 -16.396 8.903 1.00 1.44 H new ATOM 0 HG2 ARG A 115 6.958 -15.061 9.552 1.00 1.38 H new ATOM 0 HG3 ARG A 115 6.287 -15.279 7.948 1.00 1.38 H new ATOM 0 HD2 ARG A 115 5.170 -16.836 9.372 1.00 2.15 H new ATOM 0 HD3 ARG A 115 6.256 -17.774 8.366 1.00 2.15 H new ATOM 0 HE ARG A 115 6.775 -17.053 11.229 1.00 2.99 H new ATOM 0 HH11 ARG A 115 7.463 -19.274 8.546 1.00 5.84 H new ATOM 0 HH12 ARG A 115 8.254 -20.414 9.640 1.00 5.84 H new ATOM 0 HH21 ARG A 115 7.712 -18.584 12.481 1.00 5.34 H new ATOM 0 HH22 ARG A 115 8.387 -20.043 11.749 1.00 5.34 H new ATOM 1303 N GLU A 116 10.723 -15.265 6.022 1.00 1.42 N ATOM 1304 CA GLU A 116 12.080 -15.483 5.510 1.00 1.77 C ATOM 1305 C GLU A 116 12.741 -14.227 4.906 1.00 1.84 C ATOM 1306 O GLU A 116 13.730 -13.726 5.449 1.00 2.20 O ATOM 1307 CB GLU A 116 12.035 -16.586 4.436 1.00 2.02 C ATOM 1308 CG GLU A 116 11.836 -18.008 4.971 1.00 1.84 C ATOM 1309 CD GLU A 116 11.861 -19.013 3.811 1.00 2.57 C ATOM 1310 OE1 GLU A 116 10.811 -19.643 3.527 1.00 3.29 O ATOM 1311 OE2 GLU A 116 12.928 -19.173 3.164 1.00 3.46 O ATOM 0 H GLU A 116 9.994 -15.408 5.323 1.00 1.42 H new ATOM 0 HA GLU A 116 12.689 -15.769 6.367 1.00 1.77 H new ATOM 0 HB2 GLU A 116 11.227 -16.360 3.740 1.00 2.02 H new ATOM 0 HB3 GLU A 116 12.964 -16.555 3.867 1.00 2.02 H new ATOM 0 HG2 GLU A 116 12.620 -18.249 5.689 1.00 1.84 H new ATOM 0 HG3 GLU A 116 10.886 -18.076 5.502 1.00 1.84 H new ATOM 1318 N ASN A 117 12.240 -13.751 3.755 1.00 1.70 N ATOM 1319 CA ASN A 117 12.911 -12.746 2.906 1.00 2.03 C ATOM 1320 C ASN A 117 11.973 -11.822 2.084 1.00 2.12 C ATOM 1321 O ASN A 117 12.413 -10.798 1.556 1.00 2.51 O ATOM 1322 CB ASN A 117 13.899 -13.525 2.008 1.00 2.30 C ATOM 1323 CG ASN A 117 14.884 -12.632 1.273 1.00 2.71 C ATOM 1324 OD1 ASN A 117 15.919 -12.248 1.811 1.00 3.10 O ATOM 1325 ND2 ASN A 117 14.621 -12.277 0.041 1.00 3.41 N ATOM 0 H ASN A 117 11.342 -14.057 3.379 1.00 1.70 H new ATOM 0 HA ASN A 117 13.419 -12.032 3.555 1.00 2.03 H new ATOM 0 HB2 ASN A 117 14.453 -14.235 2.622 1.00 2.30 H new ATOM 0 HB3 ASN A 117 13.334 -14.106 1.279 1.00 2.30 H new ATOM 0 HD21 ASN A 117 15.275 -11.683 -0.469 1.00 3.41 H new ATOM 0 HD22 ASN A 117 13.762 -12.594 -0.409 1.00 3.41 H new ATOM 1332 N SER A 118 10.713 -12.227 1.890 1.00 2.28 N ATOM 1333 CA SER A 118 10.000 -12.210 0.594 1.00 3.04 C ATOM 1334 C SER A 118 10.738 -12.999 -0.505 1.00 3.13 C ATOM 1335 O SER A 118 11.968 -13.032 -0.553 1.00 3.98 O ATOM 1336 CB SER A 118 9.574 -10.813 0.137 1.00 4.00 C ATOM 1337 OG SER A 118 8.698 -10.240 1.090 1.00 4.58 O ATOM 0 H SER A 118 10.137 -12.588 2.651 1.00 2.28 H new ATOM 0 HA SER A 118 9.067 -12.742 0.779 1.00 3.04 H new ATOM 0 HB2 SER A 118 10.452 -10.179 0.010 1.00 4.00 H new ATOM 0 HB3 SER A 118 9.081 -10.873 -0.833 1.00 4.00 H new ATOM 0 HG SER A 118 8.431 -9.345 0.792 1.00 4.58 H new TER 1343 SER A 118