USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 696 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 42 MET CE :methyl -171:sc= 0 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot -15:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ -150:sc= 1.12 (180deg=0.21) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.166) USER MOD Single : A 59 ASN : amide:sc= 1.02 K(o=1,f=-0.94) USER MOD Single : A 60 LYS NZ :NH3+ -140:sc= -0.0864 (180deg=-0.387) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 MET CE :methyl -133:sc= 0 (180deg=-1.16) USER MOD Single : A 67 THR OG1 : rot -130:sc= 0 USER MOD Single : A 72 SER OG : rot 77:sc= 1.28 USER MOD Single : A 73 LYS NZ :NH3+ -166:sc= -0.0469 (180deg=-0.238) USER MOD Single : A 75 THR OG1 : rot -79:sc= 1.35 USER MOD Single : A 82 THR OG1 : rot 26:sc= 0.606 USER MOD Single : A 87 LYS NZ :NH3+ -114:sc= 1.11 (180deg=0.591) USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0.463 (180deg=0.442) USER MOD Single : A 100 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= 1.56 (180deg=1.32) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.682 K(o=0.68,f=-0.12) USER MOD Single : A 113 THR OG1 : rot 91:sc= 1.21 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 149:sc= 0.97 (180deg=0.411) USER MOD ----------------------------------------------------------------- ATOM 15 N TRP A 19 -0.624 -7.715 7.501 1.00 0.00 N ATOM 16 CA TRP A 19 -1.959 -7.138 7.396 1.00 0.00 C ATOM 17 C TRP A 19 -3.012 -8.202 7.062 1.00 0.00 C ATOM 18 O TRP A 19 -2.778 -9.104 6.257 1.00 0.00 O ATOM 19 CB TRP A 19 -1.979 -5.978 6.387 1.00 0.00 C ATOM 20 CG TRP A 19 -1.324 -6.249 5.058 1.00 0.00 C ATOM 21 CD1 TRP A 19 -0.782 -7.419 4.607 1.00 0.00 C ATOM 22 CD2 TRP A 19 -1.148 -5.298 4.003 1.00 0.00 C ATOM 23 NE1 TRP A 19 -0.268 -7.247 3.346 1.00 0.00 N ATOM 24 CE2 TRP A 19 -0.487 -5.953 2.950 1.00 0.00 C ATOM 25 CE3 TRP A 19 -1.488 -3.952 3.850 1.00 0.00 C ATOM 26 CZ2 TRP A 19 -0.158 -5.305 1.760 1.00 0.00 C ATOM 27 CZ3 TRP A 19 -1.164 -3.310 2.669 1.00 0.00 C ATOM 28 CH2 TRP A 19 -0.505 -3.987 1.638 1.00 0.00 C ATOM 0 HA TRP A 19 -2.222 -6.730 8.372 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -3.017 -5.696 6.208 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -1.489 -5.118 6.843 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -0.761 -8.345 5.162 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.201 -7.965 2.794 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -1.996 -3.421 4.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.353 -5.825 0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -1.424 -2.270 2.541 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -0.265 -3.459 0.727 1.00 0.00 H new ATOM 39 N ASP A 20 -4.168 -8.072 7.699 1.00 0.00 N ATOM 40 CA ASP A 20 -5.187 -9.118 7.696 1.00 0.00 C ATOM 41 C ASP A 20 -6.094 -9.029 6.469 1.00 0.00 C ATOM 42 O ASP A 20 -6.227 -7.967 5.855 1.00 0.00 O ATOM 43 CB ASP A 20 -6.025 -9.011 8.978 1.00 0.00 C ATOM 44 CG ASP A 20 -7.067 -10.101 9.114 1.00 0.00 C ATOM 45 OD1 ASP A 20 -8.208 -9.911 8.634 1.00 0.00 O ATOM 46 OD2 ASP A 20 -6.755 -11.141 9.707 1.00 0.00 O ATOM 0 H ASP A 20 -4.427 -7.242 8.232 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.682 -10.083 7.657 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -5.360 -9.046 9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.521 -8.041 8.998 1.00 0.00 H new ATOM 51 N ASP A 21 -6.720 -10.160 6.142 1.00 0.00 N ATOM 52 CA ASP A 21 -7.666 -10.270 5.027 1.00 0.00 C ATOM 53 C ASP A 21 -8.746 -9.198 5.124 1.00 0.00 C ATOM 54 O ASP A 21 -9.090 -8.540 4.138 1.00 0.00 O ATOM 55 CB ASP A 21 -8.326 -11.654 5.066 1.00 0.00 C ATOM 56 CG ASP A 21 -9.161 -11.959 3.835 1.00 0.00 C ATOM 57 OD1 ASP A 21 -10.303 -11.467 3.740 1.00 0.00 O ATOM 58 OD2 ASP A 21 -8.692 -12.726 2.971 1.00 0.00 O ATOM 0 H ASP A 21 -6.584 -11.035 6.648 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.123 -10.133 4.092 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.552 -12.415 5.168 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.959 -11.722 5.951 1.00 0.00 H new ATOM 63 N ALA A 22 -9.267 -9.025 6.327 1.00 0.00 N ATOM 64 CA ALA A 22 -10.311 -8.053 6.587 1.00 0.00 C ATOM 65 C ALA A 22 -9.707 -6.681 6.854 1.00 0.00 C ATOM 66 O ALA A 22 -10.238 -5.657 6.414 1.00 0.00 O ATOM 67 CB ALA A 22 -11.168 -8.510 7.756 1.00 0.00 C ATOM 0 H ALA A 22 -8.977 -9.555 7.149 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.948 -7.972 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.949 -7.774 7.944 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.624 -9.471 7.519 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.546 -8.613 8.645 1.00 0.00 H new ATOM 73 N ASP A 23 -8.594 -6.675 7.582 1.00 0.00 N ATOM 74 CA ASP A 23 -7.902 -5.439 7.950 1.00 0.00 C ATOM 75 C ASP A 23 -7.653 -4.536 6.747 1.00 0.00 C ATOM 76 O ASP A 23 -7.985 -3.355 6.787 1.00 0.00 O ATOM 77 CB ASP A 23 -6.578 -5.758 8.644 1.00 0.00 C ATOM 78 CG ASP A 23 -5.591 -4.610 8.589 1.00 0.00 C ATOM 79 OD1 ASP A 23 -5.777 -3.617 9.318 1.00 0.00 O ATOM 80 OD2 ASP A 23 -4.618 -4.702 7.812 1.00 0.00 O ATOM 0 H ASP A 23 -8.146 -7.522 7.933 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.554 -4.899 8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.772 -6.014 9.686 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.132 -6.637 8.178 1.00 0.00 H new ATOM 85 N VAL A 24 -7.091 -5.087 5.674 1.00 0.00 N ATOM 86 CA VAL A 24 -6.763 -4.283 4.497 1.00 0.00 C ATOM 87 C VAL A 24 -8.002 -3.587 3.924 1.00 0.00 C ATOM 88 O VAL A 24 -7.913 -2.476 3.411 1.00 0.00 O ATOM 89 CB VAL A 24 -6.072 -5.112 3.390 1.00 0.00 C ATOM 90 CG1 VAL A 24 -4.700 -5.577 3.848 1.00 0.00 C ATOM 91 CG2 VAL A 24 -6.923 -6.304 2.978 1.00 0.00 C ATOM 0 H VAL A 24 -6.855 -6.076 5.594 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.059 -3.524 4.840 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.952 -4.467 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.230 -6.159 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.080 -4.710 4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.804 -6.196 4.739 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.409 -6.866 2.198 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -7.088 -6.949 3.841 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.883 -5.952 2.599 1.00 0.00 H new ATOM 101 N LYS A 25 -9.158 -4.228 4.035 1.00 0.00 N ATOM 102 CA LYS A 25 -10.403 -3.651 3.542 1.00 0.00 C ATOM 103 C LYS A 25 -10.880 -2.526 4.458 1.00 0.00 C ATOM 104 O LYS A 25 -11.373 -1.501 3.994 1.00 0.00 O ATOM 105 CB LYS A 25 -11.486 -4.735 3.446 1.00 0.00 C ATOM 106 CG LYS A 25 -12.879 -4.221 3.074 1.00 0.00 C ATOM 107 CD LYS A 25 -13.025 -3.942 1.581 1.00 0.00 C ATOM 108 CE LYS A 25 -12.346 -2.650 1.153 1.00 0.00 C ATOM 109 NZ LYS A 25 -12.997 -1.451 1.744 1.00 0.00 N ATOM 0 H LYS A 25 -9.260 -5.149 4.462 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.217 -3.238 2.551 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.177 -5.473 2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.549 -5.252 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.625 -4.955 3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.086 -3.308 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.601 -4.773 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.084 -3.892 1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.298 -2.676 1.451 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.366 -2.574 0.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -12.887 -0.643 1.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.009 -1.642 1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.551 -1.228 2.657 1.00 0.00 H new ATOM 123 N LYS A 26 -10.712 -2.718 5.752 1.00 0.00 N ATOM 124 CA LYS A 26 -11.268 -1.803 6.735 1.00 0.00 C ATOM 125 C LYS A 26 -10.316 -0.638 7.010 1.00 0.00 C ATOM 126 O LYS A 26 -10.735 0.518 7.075 1.00 0.00 O ATOM 127 CB LYS A 26 -11.563 -2.578 8.022 1.00 0.00 C ATOM 128 CG LYS A 26 -12.554 -1.897 8.949 1.00 0.00 C ATOM 129 CD LYS A 26 -12.885 -2.787 10.137 1.00 0.00 C ATOM 130 CE LYS A 26 -14.030 -2.227 10.961 1.00 0.00 C ATOM 131 NZ LYS A 26 -14.368 -3.108 12.110 1.00 0.00 N ATOM 0 H LYS A 26 -10.194 -3.501 6.150 1.00 0.00 H new ATOM 0 HA LYS A 26 -12.192 -1.378 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.948 -3.563 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.628 -2.734 8.560 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.139 -0.953 9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.466 -1.660 8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.146 -3.784 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.002 -2.894 10.767 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.762 -1.237 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.908 -2.104 10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.154 -2.691 12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.648 -4.046 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.538 -3.205 12.729 1.00 0.00 H new ATOM 145 N ARG A 27 -9.033 -0.948 7.143 1.00 0.00 N ATOM 146 CA ARG A 27 -8.033 0.042 7.525 1.00 0.00 C ATOM 147 C ARG A 27 -7.617 0.919 6.348 1.00 0.00 C ATOM 148 O ARG A 27 -7.534 2.139 6.480 1.00 0.00 O ATOM 149 CB ARG A 27 -6.803 -0.659 8.101 1.00 0.00 C ATOM 150 CG ARG A 27 -5.685 0.287 8.500 1.00 0.00 C ATOM 151 CD ARG A 27 -4.514 -0.467 9.111 1.00 0.00 C ATOM 152 NE ARG A 27 -4.189 -1.676 8.360 1.00 0.00 N ATOM 153 CZ ARG A 27 -3.257 -1.751 7.414 1.00 0.00 C ATOM 154 NH1 ARG A 27 -2.555 -0.674 7.072 1.00 0.00 N ATOM 155 NH2 ARG A 27 -3.037 -2.907 6.806 1.00 0.00 N ATOM 0 H ARG A 27 -8.658 -1.884 6.991 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.483 0.688 8.279 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.103 -1.239 8.974 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.422 -1.366 7.364 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.346 0.842 7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.062 1.018 9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.641 0.185 9.144 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.752 -0.733 10.141 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.714 -2.523 8.576 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.730 0.217 7.536 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.842 -0.740 6.346 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.580 -3.731 7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.324 -2.974 6.079 1.00 0.00 H new ATOM 169 N TRP A 28 -7.350 0.297 5.205 1.00 0.00 N ATOM 170 CA TRP A 28 -6.864 1.023 4.036 1.00 0.00 C ATOM 171 C TRP A 28 -7.937 1.980 3.530 1.00 0.00 C ATOM 172 O TRP A 28 -7.640 3.052 3.002 1.00 0.00 O ATOM 173 CB TRP A 28 -6.462 0.040 2.939 1.00 0.00 C ATOM 174 CG TRP A 28 -5.409 0.562 2.017 1.00 0.00 C ATOM 175 CD1 TRP A 28 -4.071 0.617 2.267 1.00 0.00 C ATOM 176 CD2 TRP A 28 -5.598 1.084 0.698 1.00 0.00 C ATOM 177 NE1 TRP A 28 -3.411 1.145 1.183 1.00 0.00 N ATOM 178 CE2 TRP A 28 -4.328 1.441 0.209 1.00 0.00 C ATOM 179 CE3 TRP A 28 -6.716 1.288 -0.114 1.00 0.00 C ATOM 180 CZ2 TRP A 28 -4.146 1.986 -1.059 1.00 0.00 C ATOM 181 CZ3 TRP A 28 -6.535 1.827 -1.373 1.00 0.00 C ATOM 182 CH2 TRP A 28 -5.258 2.173 -1.834 1.00 0.00 C ATOM 0 H TRP A 28 -7.461 -0.707 5.062 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.987 1.605 4.319 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.103 -0.879 3.402 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -7.345 -0.220 2.356 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.598 0.293 3.182 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.404 1.292 1.115 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -7.704 1.029 0.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.163 2.252 -1.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -7.391 1.984 -2.012 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.149 2.596 -2.822 1.00 0.00 H new ATOM 193 N ASP A 29 -9.187 1.583 3.714 1.00 0.00 N ATOM 194 CA ASP A 29 -10.320 2.435 3.378 1.00 0.00 C ATOM 195 C ASP A 29 -10.385 3.610 4.342 1.00 0.00 C ATOM 196 O ASP A 29 -10.585 4.757 3.935 1.00 0.00 O ATOM 197 CB ASP A 29 -11.617 1.635 3.443 1.00 0.00 C ATOM 198 CG ASP A 29 -12.816 2.421 2.954 1.00 0.00 C ATOM 199 OD1 ASP A 29 -13.017 2.489 1.722 1.00 0.00 O ATOM 200 OD2 ASP A 29 -13.576 2.944 3.797 1.00 0.00 O ATOM 0 H ASP A 29 -9.444 0.673 4.096 1.00 0.00 H new ATOM 0 HA ASP A 29 -10.191 2.812 2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -11.512 0.731 2.843 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.791 1.317 4.471 1.00 0.00 H new ATOM 205 N ALA A 30 -10.196 3.304 5.624 1.00 0.00 N ATOM 206 CA ALA A 30 -10.207 4.307 6.678 1.00 0.00 C ATOM 207 C ALA A 30 -9.220 5.431 6.381 1.00 0.00 C ATOM 208 O ALA A 30 -9.547 6.599 6.562 1.00 0.00 O ATOM 209 CB ALA A 30 -9.897 3.667 8.023 1.00 0.00 C ATOM 0 H ALA A 30 -10.031 2.354 5.957 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.206 4.741 6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.909 4.431 8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.648 2.909 8.247 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.912 3.202 7.986 1.00 0.00 H new ATOM 215 N PHE A 31 -8.019 5.070 5.919 1.00 0.00 N ATOM 216 CA PHE A 31 -6.990 6.058 5.564 1.00 0.00 C ATOM 217 C PHE A 31 -7.531 7.099 4.593 1.00 0.00 C ATOM 218 O PHE A 31 -7.159 8.272 4.646 1.00 0.00 O ATOM 219 CB PHE A 31 -5.771 5.390 4.916 1.00 0.00 C ATOM 220 CG PHE A 31 -4.927 4.579 5.856 1.00 0.00 C ATOM 221 CD1 PHE A 31 -4.363 5.158 6.982 1.00 0.00 C ATOM 222 CD2 PHE A 31 -4.690 3.239 5.607 1.00 0.00 C ATOM 223 CE1 PHE A 31 -3.578 4.412 7.840 1.00 0.00 C ATOM 224 CE2 PHE A 31 -3.907 2.490 6.462 1.00 0.00 C ATOM 225 CZ PHE A 31 -3.350 3.077 7.581 1.00 0.00 C ATOM 0 H PHE A 31 -7.733 4.101 5.781 1.00 0.00 H new ATOM 0 HA PHE A 31 -6.694 6.541 6.495 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.114 4.744 4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.148 6.162 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.539 6.203 7.191 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.123 2.774 4.734 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.143 4.875 8.714 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.730 1.445 6.256 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.738 2.492 8.251 1.00 0.00 H new ATOM 371 N MET A 42 4.297 7.892 8.119 1.00 0.00 N ATOM 372 CA MET A 42 5.011 7.035 7.186 1.00 0.00 C ATOM 373 C MET A 42 6.403 7.595 6.937 1.00 0.00 C ATOM 374 O MET A 42 6.610 8.808 6.982 1.00 0.00 O ATOM 375 CB MET A 42 4.257 6.906 5.861 1.00 0.00 C ATOM 376 CG MET A 42 2.970 6.107 5.964 1.00 0.00 C ATOM 377 SD MET A 42 3.232 4.453 6.640 1.00 0.00 S ATOM 378 CE MET A 42 1.584 3.771 6.493 1.00 0.00 C ATOM 0 HA MET A 42 5.089 6.042 7.628 1.00 0.00 H new ATOM 0 HB2 MET A 42 4.026 7.903 5.487 1.00 0.00 H new ATOM 0 HB3 MET A 42 4.909 6.433 5.127 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.262 6.645 6.594 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.518 6.024 4.976 1.00 0.00 H new ATOM 0 HE1 MET A 42 1.539 2.814 7.012 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.865 4.459 6.937 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.344 3.624 5.440 1.00 0.00 H new ATOM 388 N THR A 43 7.358 6.711 6.699 1.00 0.00 N ATOM 389 CA THR A 43 8.725 7.123 6.425 1.00 0.00 C ATOM 390 C THR A 43 9.239 6.453 5.158 1.00 0.00 C ATOM 391 O THR A 43 8.909 5.296 4.883 1.00 0.00 O ATOM 392 CB THR A 43 9.666 6.789 7.603 1.00 0.00 C ATOM 393 OG1 THR A 43 9.497 5.421 7.995 1.00 0.00 O ATOM 394 CG2 THR A 43 9.400 7.701 8.793 1.00 0.00 C ATOM 0 H THR A 43 7.211 5.702 6.690 1.00 0.00 H new ATOM 0 HA THR A 43 8.717 8.204 6.288 1.00 0.00 H new ATOM 0 HB THR A 43 10.692 6.948 7.271 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.099 5.218 8.741 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.077 7.443 9.608 1.00 0.00 H new ATOM 0 HG22 THR A 43 9.563 8.738 8.500 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.369 7.575 9.124 1.00 0.00 H new ATOM 402 N GLY A 44 10.042 7.183 4.391 1.00 0.00 N ATOM 403 CA GLY A 44 10.570 6.659 3.147 1.00 0.00 C ATOM 404 C GLY A 44 11.369 5.390 3.344 1.00 0.00 C ATOM 405 O GLY A 44 11.257 4.456 2.560 1.00 0.00 O ATOM 0 H GLY A 44 10.337 8.134 4.612 1.00 0.00 H new ATOM 0 HA2 GLY A 44 9.746 6.463 2.461 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.202 7.413 2.678 1.00 0.00 H new ATOM 409 N LYS A 45 12.166 5.359 4.402 1.00 0.00 N ATOM 410 CA LYS A 45 12.985 4.196 4.720 1.00 0.00 C ATOM 411 C LYS A 45 12.113 2.954 4.929 1.00 0.00 C ATOM 412 O LYS A 45 12.339 1.907 4.308 1.00 0.00 O ATOM 413 CB LYS A 45 13.820 4.490 5.968 1.00 0.00 C ATOM 414 CG LYS A 45 14.715 3.344 6.410 1.00 0.00 C ATOM 415 CD LYS A 45 15.605 3.762 7.570 1.00 0.00 C ATOM 416 CE LYS A 45 14.788 4.278 8.749 1.00 0.00 C ATOM 417 NZ LYS A 45 15.654 4.804 9.837 1.00 0.00 N ATOM 0 H LYS A 45 12.264 6.132 5.060 1.00 0.00 H new ATOM 0 HA LYS A 45 13.653 3.992 3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.440 5.366 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.148 4.747 6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 45 14.102 2.493 6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 45 15.332 3.017 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 45 16.209 2.913 7.890 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.295 4.538 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.116 5.065 8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.165 3.473 9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.060 5.145 10.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.278 4.046 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 16.231 5.589 9.473 1.00 0.00 H new ATOM 431 N ASN A 46 11.103 3.088 5.781 1.00 0.00 N ATOM 432 CA ASN A 46 10.211 1.978 6.090 1.00 0.00 C ATOM 433 C ASN A 46 9.409 1.567 4.863 1.00 0.00 C ATOM 434 O ASN A 46 9.327 0.385 4.542 1.00 0.00 O ATOM 435 CB ASN A 46 9.264 2.350 7.234 1.00 0.00 C ATOM 436 CG ASN A 46 8.330 1.216 7.610 1.00 0.00 C ATOM 437 OD1 ASN A 46 7.231 1.093 7.072 1.00 0.00 O ATOM 438 ND2 ASN A 46 8.757 0.384 8.545 1.00 0.00 N ATOM 0 H ASN A 46 10.882 3.955 6.270 1.00 0.00 H new ATOM 0 HA ASN A 46 10.824 1.133 6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.850 2.638 8.107 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.675 3.220 6.945 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.168 -0.393 8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.675 0.520 8.968 1.00 0.00 H new ATOM 445 N PHE A 47 8.839 2.547 4.169 1.00 0.00 N ATOM 446 CA PHE A 47 8.011 2.275 2.999 1.00 0.00 C ATOM 447 C PHE A 47 8.835 1.627 1.886 1.00 0.00 C ATOM 448 O PHE A 47 8.373 0.703 1.215 1.00 0.00 O ATOM 449 CB PHE A 47 7.360 3.565 2.494 1.00 0.00 C ATOM 450 CG PHE A 47 6.333 3.333 1.424 1.00 0.00 C ATOM 451 CD1 PHE A 47 5.075 2.852 1.750 1.00 0.00 C ATOM 452 CD2 PHE A 47 6.629 3.582 0.093 1.00 0.00 C ATOM 453 CE1 PHE A 47 4.130 2.626 0.770 1.00 0.00 C ATOM 454 CE2 PHE A 47 5.688 3.356 -0.891 1.00 0.00 C ATOM 455 CZ PHE A 47 4.436 2.877 -0.552 1.00 0.00 C ATOM 0 H PHE A 47 8.935 3.537 4.396 1.00 0.00 H new ATOM 0 HA PHE A 47 7.227 1.578 3.294 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.891 4.079 3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 47 8.135 4.227 2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 47 4.831 2.652 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.605 3.956 -0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.152 2.253 1.037 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.929 3.553 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 47 3.699 2.700 -1.321 1.00 0.00 H new ATOM 465 N ASP A 48 10.061 2.107 1.705 1.00 0.00 N ATOM 466 CA ASP A 48 10.973 1.543 0.710 1.00 0.00 C ATOM 467 C ASP A 48 11.267 0.080 1.020 1.00 0.00 C ATOM 468 O ASP A 48 11.494 -0.721 0.121 1.00 0.00 O ATOM 469 CB ASP A 48 12.280 2.345 0.670 1.00 0.00 C ATOM 470 CG ASP A 48 13.355 1.697 -0.181 1.00 0.00 C ATOM 471 OD1 ASP A 48 13.329 1.864 -1.416 1.00 0.00 O ATOM 472 OD2 ASP A 48 14.253 1.036 0.389 1.00 0.00 O ATOM 0 H ASP A 48 10.449 2.887 2.235 1.00 0.00 H new ATOM 0 HA ASP A 48 10.493 1.602 -0.267 1.00 0.00 H new ATOM 0 HB2 ASP A 48 12.074 3.344 0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.655 2.467 1.686 1.00 0.00 H new ATOM 477 N LYS A 49 11.228 -0.267 2.297 1.00 0.00 N ATOM 478 CA LYS A 49 11.512 -1.627 2.730 1.00 0.00 C ATOM 479 C LYS A 49 10.250 -2.473 2.627 1.00 0.00 C ATOM 480 O LYS A 49 10.267 -3.575 2.077 1.00 0.00 O ATOM 481 CB LYS A 49 12.041 -1.625 4.166 1.00 0.00 C ATOM 482 CG LYS A 49 12.462 -2.993 4.672 1.00 0.00 C ATOM 483 CD LYS A 49 12.997 -2.906 6.088 1.00 0.00 C ATOM 484 CE LYS A 49 13.491 -4.252 6.585 1.00 0.00 C ATOM 485 NZ LYS A 49 14.027 -4.166 7.966 1.00 0.00 N ATOM 0 H LYS A 49 11.001 0.377 3.055 1.00 0.00 H new ATOM 0 HA LYS A 49 12.277 -2.056 2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.893 -0.948 4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.270 -1.227 4.826 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.611 -3.674 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.226 -3.409 4.015 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.812 -2.183 6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.214 -2.538 6.751 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.674 -4.972 6.556 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.267 -4.624 5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.355 -5.105 8.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.823 -3.497 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.279 -3.835 8.609 1.00 0.00 H new ATOM 499 N TRP A 50 9.161 -1.926 3.154 1.00 0.00 N ATOM 500 CA TRP A 50 7.840 -2.538 3.077 1.00 0.00 C ATOM 501 C TRP A 50 7.497 -2.923 1.644 1.00 0.00 C ATOM 502 O TRP A 50 7.024 -4.029 1.376 1.00 0.00 O ATOM 503 CB TRP A 50 6.800 -1.546 3.622 1.00 0.00 C ATOM 504 CG TRP A 50 5.377 -1.882 3.279 1.00 0.00 C ATOM 505 CD1 TRP A 50 4.618 -1.309 2.297 1.00 0.00 C ATOM 506 CD2 TRP A 50 4.543 -2.859 3.912 1.00 0.00 C ATOM 507 NE1 TRP A 50 3.366 -1.873 2.280 1.00 0.00 N ATOM 508 CE2 TRP A 50 3.296 -2.827 3.262 1.00 0.00 C ATOM 509 CE3 TRP A 50 4.730 -3.760 4.964 1.00 0.00 C ATOM 510 CZ2 TRP A 50 2.243 -3.662 3.628 1.00 0.00 C ATOM 511 CZ3 TRP A 50 3.684 -4.587 5.328 1.00 0.00 C ATOM 512 CH2 TRP A 50 2.455 -4.533 4.662 1.00 0.00 C ATOM 0 H TRP A 50 9.170 -1.036 3.652 1.00 0.00 H new ATOM 0 HA TRP A 50 7.835 -3.449 3.675 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.897 -1.497 4.707 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.028 -0.552 3.237 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.954 -0.527 1.632 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.611 -1.623 1.641 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.676 -3.809 5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.294 -3.623 3.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.818 -5.286 6.140 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.657 -5.192 4.970 1.00 0.00 H new ATOM 523 N LEU A 51 7.767 -2.019 0.717 1.00 0.00 N ATOM 524 CA LEU A 51 7.331 -2.208 -0.657 1.00 0.00 C ATOM 525 C LEU A 51 8.342 -3.030 -1.453 1.00 0.00 C ATOM 526 O LEU A 51 7.964 -3.794 -2.349 1.00 0.00 O ATOM 527 CB LEU A 51 7.060 -0.865 -1.335 1.00 0.00 C ATOM 528 CG LEU A 51 5.976 -0.908 -2.414 1.00 0.00 C ATOM 529 CD1 LEU A 51 4.678 -1.449 -1.833 1.00 0.00 C ATOM 530 CD2 LEU A 51 5.751 0.473 -3.001 1.00 0.00 C ATOM 0 H LEU A 51 8.281 -1.155 0.888 1.00 0.00 H new ATOM 0 HA LEU A 51 6.396 -2.768 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.770 -0.140 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.986 -0.504 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 51 6.310 -1.572 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.914 -1.475 -2.610 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.842 -2.457 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.346 -0.803 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.977 0.421 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.437 1.157 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.678 0.834 -3.446 1.00 0.00 H new ATOM 542 N LYS A 52 9.625 -2.862 -1.142 1.00 0.00 N ATOM 543 CA LYS A 52 10.679 -3.617 -1.817 1.00 0.00 C ATOM 544 C LYS A 52 10.521 -5.107 -1.538 1.00 0.00 C ATOM 545 O LYS A 52 10.585 -5.927 -2.451 1.00 0.00 O ATOM 546 CB LYS A 52 12.060 -3.165 -1.337 1.00 0.00 C ATOM 547 CG LYS A 52 13.176 -3.337 -2.358 1.00 0.00 C ATOM 548 CD LYS A 52 13.160 -2.216 -3.387 1.00 0.00 C ATOM 549 CE LYS A 52 14.357 -2.287 -4.323 1.00 0.00 C ATOM 550 NZ LYS A 52 14.461 -1.079 -5.185 1.00 0.00 N ATOM 0 H LYS A 52 9.960 -2.213 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 52 10.592 -3.432 -2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.005 -2.114 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 52 12.319 -3.725 -0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 52 14.139 -3.352 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 52 13.067 -4.298 -2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.240 -2.271 -3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.156 -1.254 -2.875 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.270 -2.394 -3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.275 -3.174 -4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.118 -1.267 -5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.523 -0.844 -5.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.815 -0.280 -4.621 1.00 0.00 H new ATOM 564 N ASP A 53 10.298 -5.439 -0.266 1.00 0.00 N ATOM 565 CA ASP A 53 10.201 -6.833 0.171 1.00 0.00 C ATOM 566 C ASP A 53 8.921 -7.489 -0.339 1.00 0.00 C ATOM 567 O ASP A 53 8.915 -8.671 -0.687 1.00 0.00 O ATOM 568 CB ASP A 53 10.266 -6.913 1.699 1.00 0.00 C ATOM 569 CG ASP A 53 10.209 -8.337 2.214 1.00 0.00 C ATOM 570 OD1 ASP A 53 11.186 -9.086 2.008 1.00 0.00 O ATOM 571 OD2 ASP A 53 9.187 -8.715 2.830 1.00 0.00 O ATOM 0 H ASP A 53 10.181 -4.758 0.484 1.00 0.00 H new ATOM 0 HA ASP A 53 11.046 -7.377 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.187 -6.443 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.439 -6.344 2.124 1.00 0.00 H new ATOM 576 N ALA A 54 7.842 -6.716 -0.384 1.00 0.00 N ATOM 577 CA ALA A 54 6.567 -7.202 -0.905 1.00 0.00 C ATOM 578 C ALA A 54 6.663 -7.455 -2.407 1.00 0.00 C ATOM 579 O ALA A 54 5.968 -8.313 -2.952 1.00 0.00 O ATOM 580 CB ALA A 54 5.456 -6.206 -0.602 1.00 0.00 C ATOM 0 H ALA A 54 7.824 -5.747 -0.065 1.00 0.00 H new ATOM 0 HA ALA A 54 6.330 -8.145 -0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.512 -6.582 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 54 5.371 -6.073 0.476 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.688 -5.249 -1.069 1.00 0.00 H new ATOM 586 N GLY A 55 7.526 -6.696 -3.071 1.00 0.00 N ATOM 587 CA GLY A 55 7.706 -6.855 -4.498 1.00 0.00 C ATOM 588 C GLY A 55 6.702 -6.048 -5.293 1.00 0.00 C ATOM 589 O GLY A 55 6.115 -6.542 -6.255 1.00 0.00 O ATOM 0 H GLY A 55 8.105 -5.972 -2.644 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.715 -6.548 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.612 -7.909 -4.759 1.00 0.00 H new ATOM 593 N VAL A 56 6.475 -4.811 -4.874 1.00 0.00 N ATOM 594 CA VAL A 56 5.564 -3.921 -5.587 1.00 0.00 C ATOM 595 C VAL A 56 6.270 -2.604 -5.917 1.00 0.00 C ATOM 596 O VAL A 56 5.729 -1.743 -6.602 1.00 0.00 O ATOM 597 CB VAL A 56 4.294 -3.628 -4.746 1.00 0.00 C ATOM 598 CG1 VAL A 56 3.233 -2.912 -5.575 1.00 0.00 C ATOM 599 CG2 VAL A 56 3.724 -4.907 -4.150 1.00 0.00 C ATOM 0 H VAL A 56 6.907 -4.400 -4.046 1.00 0.00 H new ATOM 0 HA VAL A 56 5.262 -4.418 -6.509 1.00 0.00 H new ATOM 0 HB VAL A 56 4.590 -2.969 -3.929 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.356 -2.721 -4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.633 -1.966 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.951 -3.537 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.835 -4.671 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.459 -5.596 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.470 -5.371 -3.505 1.00 0.00 H new ATOM 609 N LEU A 57 7.499 -2.469 -5.438 1.00 0.00 N ATOM 610 CA LEU A 57 8.232 -1.216 -5.571 1.00 0.00 C ATOM 611 C LEU A 57 9.100 -1.174 -6.826 1.00 0.00 C ATOM 612 O LEU A 57 9.232 -0.128 -7.459 1.00 0.00 O ATOM 613 CB LEU A 57 9.107 -1.000 -4.337 1.00 0.00 C ATOM 614 CG LEU A 57 9.960 0.269 -4.358 1.00 0.00 C ATOM 615 CD1 LEU A 57 9.081 1.503 -4.485 1.00 0.00 C ATOM 616 CD2 LEU A 57 10.816 0.348 -3.107 1.00 0.00 C ATOM 0 H LEU A 57 8.009 -3.209 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 57 7.495 -0.418 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.465 -0.973 -3.456 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.767 -1.860 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 57 10.618 0.230 -5.226 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.707 2.396 -4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.508 1.448 -5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 57 8.397 1.552 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.418 1.256 -3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.173 0.366 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.472 -0.521 -3.060 1.00 0.00 H new ATOM 628 N ASP A 58 9.695 -2.301 -7.184 1.00 0.00 N ATOM 629 CA ASP A 58 10.670 -2.316 -8.268 1.00 0.00 C ATOM 630 C ASP A 58 10.272 -3.293 -9.363 1.00 0.00 C ATOM 631 O ASP A 58 9.818 -2.892 -10.429 1.00 0.00 O ATOM 632 CB ASP A 58 12.051 -2.676 -7.730 1.00 0.00 C ATOM 633 CG ASP A 58 13.136 -2.487 -8.766 1.00 0.00 C ATOM 634 OD1 ASP A 58 13.697 -1.374 -8.842 1.00 0.00 O ATOM 635 OD2 ASP A 58 13.440 -3.451 -9.494 1.00 0.00 O ATOM 0 H ASP A 58 9.525 -3.207 -6.748 1.00 0.00 H new ATOM 0 HA ASP A 58 10.699 -1.316 -8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 58 12.272 -2.059 -6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 58 12.049 -3.713 -7.394 1.00 0.00 H new ATOM 640 N ASN A 59 10.464 -4.576 -9.098 1.00 0.00 N ATOM 641 CA ASN A 59 10.109 -5.634 -10.053 1.00 0.00 C ATOM 642 C ASN A 59 10.806 -5.453 -11.404 1.00 0.00 C ATOM 643 O ASN A 59 10.372 -6.028 -12.405 1.00 0.00 O ATOM 644 CB ASN A 59 8.591 -5.686 -10.262 1.00 0.00 C ATOM 645 CG ASN A 59 7.857 -6.181 -9.033 1.00 0.00 C ATOM 646 OD1 ASN A 59 8.375 -7.001 -8.276 1.00 0.00 O ATOM 647 ND2 ASN A 59 6.650 -5.685 -8.821 1.00 0.00 N ATOM 0 H ASN A 59 10.866 -4.919 -8.226 1.00 0.00 H new ATOM 0 HA ASN A 59 10.452 -6.575 -9.622 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.228 -4.692 -10.523 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.365 -6.339 -11.105 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.113 -5.981 -8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.256 -5.007 -9.473 1.00 0.00 H new ATOM 654 N LYS A 60 11.878 -4.648 -11.423 1.00 0.00 N ATOM 655 CA LYS A 60 12.670 -4.372 -12.629 1.00 0.00 C ATOM 656 C LYS A 60 11.931 -3.446 -13.592 1.00 0.00 C ATOM 657 O LYS A 60 12.503 -2.486 -14.111 1.00 0.00 O ATOM 658 CB LYS A 60 13.066 -5.663 -13.357 1.00 0.00 C ATOM 659 CG LYS A 60 13.975 -6.575 -12.551 1.00 0.00 C ATOM 660 CD LYS A 60 14.422 -7.763 -13.380 1.00 0.00 C ATOM 661 CE LYS A 60 15.371 -8.664 -12.609 1.00 0.00 C ATOM 662 NZ LYS A 60 16.558 -7.926 -12.107 1.00 0.00 N ATOM 0 H LYS A 60 12.223 -4.166 -10.593 1.00 0.00 H new ATOM 0 HA LYS A 60 13.577 -3.871 -12.292 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.161 -6.211 -13.621 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.565 -5.403 -14.290 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.846 -6.017 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.451 -6.924 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.550 -8.337 -13.693 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.913 -7.409 -14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.842 -9.113 -11.769 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.698 -9.481 -13.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.406 -8.518 -12.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.677 -7.048 -12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.423 -7.694 -11.102 1.00 0.00 H new ATOM 676 N ALA A 61 10.665 -3.742 -13.828 1.00 0.00 N ATOM 677 CA ALA A 61 9.850 -2.977 -14.758 1.00 0.00 C ATOM 678 C ALA A 61 9.525 -1.586 -14.218 1.00 0.00 C ATOM 679 O ALA A 61 9.336 -0.645 -14.993 1.00 0.00 O ATOM 680 CB ALA A 61 8.569 -3.730 -15.072 1.00 0.00 C ATOM 0 H ALA A 61 10.173 -4.517 -13.382 1.00 0.00 H new ATOM 0 HA ALA A 61 10.427 -2.848 -15.674 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.966 -3.148 -15.769 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.814 -4.693 -15.520 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.006 -3.890 -14.152 1.00 0.00 H new ATOM 686 N ILE A 62 9.475 -1.447 -12.898 1.00 0.00 N ATOM 687 CA ILE A 62 9.120 -0.168 -12.297 1.00 0.00 C ATOM 688 C ILE A 62 10.364 0.703 -12.179 1.00 0.00 C ATOM 689 O ILE A 62 11.425 0.236 -11.764 1.00 0.00 O ATOM 690 CB ILE A 62 8.455 -0.334 -10.913 1.00 0.00 C ATOM 691 CG1 ILE A 62 7.335 -1.381 -10.990 1.00 0.00 C ATOM 692 CG2 ILE A 62 7.911 1.003 -10.419 1.00 0.00 C ATOM 693 CD1 ILE A 62 6.561 -1.553 -9.701 1.00 0.00 C ATOM 0 H ILE A 62 9.673 -2.193 -12.232 1.00 0.00 H new ATOM 0 HA ILE A 62 8.389 0.312 -12.948 1.00 0.00 H new ATOM 0 HB ILE A 62 9.205 -0.679 -10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.642 -1.099 -11.783 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.768 -2.341 -11.272 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.446 0.868 -9.443 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.728 1.720 -10.336 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.170 1.378 -11.125 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.789 -2.310 -9.839 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.240 -1.867 -8.908 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.096 -0.606 -9.427 1.00 0.00 H new ATOM 705 N THR A 63 10.233 1.966 -12.558 1.00 0.00 N ATOM 706 CA THR A 63 11.375 2.856 -12.649 1.00 0.00 C ATOM 707 C THR A 63 11.504 3.735 -11.424 1.00 0.00 C ATOM 708 O THR A 63 10.511 4.267 -10.930 1.00 0.00 O ATOM 709 CB THR A 63 11.260 3.750 -13.887 1.00 0.00 C ATOM 710 OG1 THR A 63 10.053 4.520 -13.834 1.00 0.00 O ATOM 711 CG2 THR A 63 11.254 2.902 -15.129 1.00 0.00 C ATOM 0 H THR A 63 9.343 2.396 -12.808 1.00 0.00 H new ATOM 0 HA THR A 63 12.262 2.227 -12.722 1.00 0.00 H new ATOM 0 HB THR A 63 12.115 4.426 -13.909 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.992 5.088 -14.630 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.172 3.543 -16.007 1.00 0.00 H new ATOM 0 HG22 THR A 63 12.180 2.329 -15.183 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.406 2.218 -15.099 1.00 0.00 H new ATOM 719 N GLY A 64 12.741 3.909 -10.972 1.00 0.00 N ATOM 720 CA GLY A 64 13.019 4.731 -9.807 1.00 0.00 C ATOM 721 C GLY A 64 12.580 6.172 -9.990 1.00 0.00 C ATOM 722 O GLY A 64 12.368 6.892 -9.015 1.00 0.00 O ATOM 0 H GLY A 64 13.567 3.489 -11.398 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.512 4.308 -8.940 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.088 4.705 -9.596 1.00 0.00 H new ATOM 726 N THR A 65 12.434 6.594 -11.237 1.00 0.00 N ATOM 727 CA THR A 65 11.977 7.942 -11.525 1.00 0.00 C ATOM 728 C THR A 65 10.472 8.073 -11.267 1.00 0.00 C ATOM 729 O THR A 65 10.027 9.065 -10.697 1.00 0.00 O ATOM 730 CB THR A 65 12.322 8.367 -12.976 1.00 0.00 C ATOM 731 OG1 THR A 65 11.803 9.677 -13.257 1.00 0.00 O ATOM 732 CG2 THR A 65 11.775 7.377 -13.993 1.00 0.00 C ATOM 0 H THR A 65 12.625 6.024 -12.061 1.00 0.00 H new ATOM 0 HA THR A 65 12.504 8.616 -10.850 1.00 0.00 H new ATOM 0 HB THR A 65 13.409 8.382 -13.058 1.00 0.00 H new ATOM 0 HG1 THR A 65 12.031 9.929 -14.176 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.036 7.707 -14.999 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.206 6.393 -13.811 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.690 7.321 -13.899 1.00 0.00 H new ATOM 740 N MET A 66 9.697 7.060 -11.653 1.00 0.00 N ATOM 741 CA MET A 66 8.249 7.094 -11.454 1.00 0.00 C ATOM 742 C MET A 66 7.908 7.003 -9.971 1.00 0.00 C ATOM 743 O MET A 66 7.188 7.847 -9.434 1.00 0.00 O ATOM 744 CB MET A 66 7.569 5.955 -12.222 1.00 0.00 C ATOM 745 CG MET A 66 6.073 5.849 -11.959 1.00 0.00 C ATOM 746 SD MET A 66 5.181 7.368 -12.351 1.00 0.00 S ATOM 747 CE MET A 66 3.526 6.934 -11.815 1.00 0.00 C ATOM 0 H MET A 66 10.044 6.212 -12.102 1.00 0.00 H new ATOM 0 HA MET A 66 7.878 8.043 -11.840 1.00 0.00 H new ATOM 0 HB2 MET A 66 7.732 6.100 -13.290 1.00 0.00 H new ATOM 0 HB3 MET A 66 8.044 5.012 -11.952 1.00 0.00 H new ATOM 0 HG2 MET A 66 5.663 5.030 -12.550 1.00 0.00 H new ATOM 0 HG3 MET A 66 5.910 5.599 -10.911 1.00 0.00 H new ATOM 0 HE1 MET A 66 2.809 7.212 -12.587 1.00 0.00 H new ATOM 0 HE2 MET A 66 3.471 5.860 -11.639 1.00 0.00 H new ATOM 0 HE3 MET A 66 3.291 7.466 -10.893 1.00 0.00 H new ATOM 757 N THR A 67 8.442 5.984 -9.309 1.00 0.00 N ATOM 758 CA THR A 67 8.210 5.795 -7.884 1.00 0.00 C ATOM 759 C THR A 67 8.794 6.959 -7.078 1.00 0.00 C ATOM 760 O THR A 67 8.190 7.413 -6.105 1.00 0.00 O ATOM 761 CB THR A 67 8.768 4.437 -7.385 1.00 0.00 C ATOM 762 OG1 THR A 67 9.018 4.478 -5.977 1.00 0.00 O ATOM 763 CG2 THR A 67 10.036 4.042 -8.127 1.00 0.00 C ATOM 0 H THR A 67 9.039 5.276 -9.737 1.00 0.00 H new ATOM 0 HA THR A 67 7.131 5.778 -7.728 1.00 0.00 H new ATOM 0 HB THR A 67 8.009 3.682 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.923 4.149 -5.796 1.00 0.00 H new ATOM 0 HG21 THR A 67 10.396 3.085 -7.749 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.822 3.954 -9.192 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.800 4.804 -7.973 1.00 0.00 H new ATOM 771 N GLY A 68 9.951 7.459 -7.509 1.00 0.00 N ATOM 772 CA GLY A 68 10.571 8.590 -6.839 1.00 0.00 C ATOM 773 C GLY A 68 9.709 9.839 -6.887 1.00 0.00 C ATOM 774 O GLY A 68 9.533 10.520 -5.874 1.00 0.00 O ATOM 0 H GLY A 68 10.470 7.100 -8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.768 8.329 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 68 11.535 8.800 -7.303 1.00 0.00 H new ATOM 778 N ILE A 69 9.165 10.139 -8.062 1.00 0.00 N ATOM 779 CA ILE A 69 8.284 11.289 -8.225 1.00 0.00 C ATOM 780 C ILE A 69 7.004 11.104 -7.411 1.00 0.00 C ATOM 781 O ILE A 69 6.539 12.033 -6.748 1.00 0.00 O ATOM 782 CB ILE A 69 7.937 11.531 -9.715 1.00 0.00 C ATOM 783 CG1 ILE A 69 9.186 11.990 -10.477 1.00 0.00 C ATOM 784 CG2 ILE A 69 6.817 12.555 -9.856 1.00 0.00 C ATOM 785 CD1 ILE A 69 8.965 12.176 -11.963 1.00 0.00 C ATOM 0 H ILE A 69 9.319 9.601 -8.915 1.00 0.00 H new ATOM 0 HA ILE A 69 8.816 12.166 -7.856 1.00 0.00 H new ATOM 0 HB ILE A 69 7.587 10.592 -10.144 1.00 0.00 H new ATOM 0 HG12 ILE A 69 9.534 12.931 -10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 69 9.980 11.259 -10.327 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.593 12.706 -10.912 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.926 12.192 -9.344 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.130 13.500 -9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 69 9.894 12.501 -12.431 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.647 11.231 -12.405 1.00 0.00 H new ATOM 0 HD13 ILE A 69 8.194 12.930 -12.125 1.00 0.00 H new ATOM 797 N ALA A 70 6.456 9.893 -7.439 1.00 0.00 N ATOM 798 CA ALA A 70 5.256 9.577 -6.670 1.00 0.00 C ATOM 799 C ALA A 70 5.497 9.799 -5.177 1.00 0.00 C ATOM 800 O ALA A 70 4.682 10.419 -4.494 1.00 0.00 O ATOM 801 CB ALA A 70 4.816 8.145 -6.932 1.00 0.00 C ATOM 0 H ALA A 70 6.823 9.114 -7.986 1.00 0.00 H new ATOM 0 HA ALA A 70 4.458 10.247 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.920 7.927 -6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.599 8.019 -7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.613 7.461 -6.641 1.00 0.00 H new ATOM 807 N PHE A 71 6.629 9.303 -4.687 1.00 0.00 N ATOM 808 CA PHE A 71 7.007 9.484 -3.289 1.00 0.00 C ATOM 809 C PHE A 71 7.158 10.967 -2.957 1.00 0.00 C ATOM 810 O PHE A 71 6.726 11.424 -1.898 1.00 0.00 O ATOM 811 CB PHE A 71 8.304 8.738 -2.969 1.00 0.00 C ATOM 812 CG PHE A 71 8.689 8.825 -1.522 1.00 0.00 C ATOM 813 CD1 PHE A 71 8.028 8.066 -0.570 1.00 0.00 C ATOM 814 CD2 PHE A 71 9.696 9.680 -1.110 1.00 0.00 C ATOM 815 CE1 PHE A 71 8.368 8.156 0.764 1.00 0.00 C ATOM 816 CE2 PHE A 71 10.040 9.777 0.223 1.00 0.00 C ATOM 817 CZ PHE A 71 9.376 9.014 1.162 1.00 0.00 C ATOM 0 H PHE A 71 7.302 8.771 -5.239 1.00 0.00 H new ATOM 0 HA PHE A 71 6.210 9.067 -2.673 1.00 0.00 H new ATOM 0 HB2 PHE A 71 8.192 7.690 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.111 9.145 -3.579 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.238 7.396 -0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.219 10.279 -1.841 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.847 7.557 1.496 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.828 10.449 0.531 1.00 0.00 H new ATOM 0 HZ PHE A 71 9.643 9.087 2.206 1.00 0.00 H new ATOM 827 N SER A 72 7.787 11.709 -3.856 1.00 0.00 N ATOM 828 CA SER A 72 7.979 13.141 -3.674 1.00 0.00 C ATOM 829 C SER A 72 6.635 13.872 -3.544 1.00 0.00 C ATOM 830 O SER A 72 6.550 14.927 -2.915 1.00 0.00 O ATOM 831 CB SER A 72 8.789 13.703 -4.845 1.00 0.00 C ATOM 832 OG SER A 72 10.037 13.038 -4.967 1.00 0.00 O ATOM 0 H SER A 72 8.176 11.341 -4.724 1.00 0.00 H new ATOM 0 HA SER A 72 8.529 13.302 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 72 8.222 13.593 -5.770 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.955 14.770 -4.698 1.00 0.00 H new ATOM 0 HG SER A 72 9.901 12.160 -5.380 1.00 0.00 H new ATOM 838 N LYS A 73 5.588 13.308 -4.140 1.00 0.00 N ATOM 839 CA LYS A 73 4.264 13.908 -4.086 1.00 0.00 C ATOM 840 C LYS A 73 3.517 13.522 -2.809 1.00 0.00 C ATOM 841 O LYS A 73 2.865 14.364 -2.189 1.00 0.00 O ATOM 842 CB LYS A 73 3.451 13.497 -5.310 1.00 0.00 C ATOM 843 CG LYS A 73 3.990 14.064 -6.612 1.00 0.00 C ATOM 844 CD LYS A 73 3.093 13.709 -7.785 1.00 0.00 C ATOM 845 CE LYS A 73 3.616 14.299 -9.086 1.00 0.00 C ATOM 846 NZ LYS A 73 3.674 15.785 -9.049 1.00 0.00 N ATOM 0 H LYS A 73 5.634 12.435 -4.666 1.00 0.00 H new ATOM 0 HA LYS A 73 4.393 14.990 -4.081 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.433 12.409 -5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.420 13.825 -5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.074 15.148 -6.531 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.994 13.679 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.025 12.625 -7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.084 14.077 -7.597 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.612 13.904 -9.287 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.975 13.983 -9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.804 16.151 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.787 16.157 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.472 16.087 -8.454 1.00 0.00 H new ATOM 860 N VAL A 74 3.611 12.251 -2.417 1.00 0.00 N ATOM 861 CA VAL A 74 2.907 11.759 -1.238 1.00 0.00 C ATOM 862 C VAL A 74 3.427 12.407 0.043 1.00 0.00 C ATOM 863 O VAL A 74 2.678 12.594 1.005 1.00 0.00 O ATOM 864 CB VAL A 74 3.002 10.224 -1.122 1.00 0.00 C ATOM 865 CG1 VAL A 74 2.316 9.568 -2.299 1.00 0.00 C ATOM 866 CG2 VAL A 74 4.442 9.751 -1.018 1.00 0.00 C ATOM 0 H VAL A 74 4.168 11.546 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 74 1.860 12.035 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 74 2.495 9.931 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.390 8.485 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.266 9.860 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.797 9.886 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 74 4.463 8.664 -0.938 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.992 10.060 -1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.906 10.189 -0.134 1.00 0.00 H new ATOM 876 N THR A 75 4.705 12.753 0.047 1.00 0.00 N ATOM 877 CA THR A 75 5.298 13.433 1.184 1.00 0.00 C ATOM 878 C THR A 75 5.257 14.942 0.989 1.00 0.00 C ATOM 879 O THR A 75 4.434 15.631 1.591 1.00 0.00 O ATOM 880 CB THR A 75 6.745 12.965 1.425 1.00 0.00 C ATOM 881 OG1 THR A 75 7.468 12.922 0.181 1.00 0.00 O ATOM 882 CG2 THR A 75 6.759 11.595 2.089 1.00 0.00 C ATOM 0 H THR A 75 5.349 12.574 -0.723 1.00 0.00 H new ATOM 0 HA THR A 75 4.709 13.177 2.065 1.00 0.00 H new ATOM 0 HB THR A 75 7.233 13.677 2.091 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.231 12.106 -0.307 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.790 11.280 2.252 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.241 11.649 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.257 10.873 1.445 1.00 0.00 H new ATOM 890 N GLY A 76 6.125 15.441 0.126 1.00 0.00 N ATOM 891 CA GLY A 76 6.128 16.851 -0.193 1.00 0.00 C ATOM 892 C GLY A 76 6.941 17.676 0.786 1.00 0.00 C ATOM 893 O GLY A 76 8.173 17.610 0.783 1.00 0.00 O ATOM 0 H GLY A 76 6.832 14.891 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.528 16.990 -1.197 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.102 17.218 -0.205 1.00 0.00 H new ATOM 987 N THR A 82 1.165 12.036 5.228 1.00 0.00 N ATOM 988 CA THR A 82 -0.155 11.817 5.781 1.00 0.00 C ATOM 989 C THR A 82 -0.782 10.534 5.223 1.00 0.00 C ATOM 990 O THR A 82 -0.194 9.873 4.378 1.00 0.00 O ATOM 991 CB THR A 82 -1.046 13.026 5.457 1.00 0.00 C ATOM 992 OG1 THR A 82 -0.248 14.220 5.448 1.00 0.00 O ATOM 993 CG2 THR A 82 -2.143 13.182 6.489 1.00 0.00 C ATOM 0 HA THR A 82 -0.068 11.703 6.861 1.00 0.00 H new ATOM 0 HB THR A 82 -1.500 12.863 4.479 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.680 13.991 5.233 1.00 0.00 H new ATOM 0 HG21 THR A 82 -2.760 14.045 6.237 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.762 12.285 6.501 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.698 13.329 7.473 1.00 0.00 H new ATOM 1001 N PHE A 83 -1.982 10.199 5.694 1.00 0.00 N ATOM 1002 CA PHE A 83 -2.692 8.984 5.276 1.00 0.00 C ATOM 1003 C PHE A 83 -2.837 8.907 3.752 1.00 0.00 C ATOM 1004 O PHE A 83 -2.858 7.823 3.171 1.00 0.00 O ATOM 1005 CB PHE A 83 -4.074 8.940 5.931 1.00 0.00 C ATOM 1006 CG PHE A 83 -4.050 9.213 7.409 1.00 0.00 C ATOM 1007 CD1 PHE A 83 -3.479 8.308 8.287 1.00 0.00 C ATOM 1008 CD2 PHE A 83 -4.592 10.383 7.919 1.00 0.00 C ATOM 1009 CE1 PHE A 83 -3.450 8.561 9.644 1.00 0.00 C ATOM 1010 CE2 PHE A 83 -4.566 10.641 9.277 1.00 0.00 C ATOM 1011 CZ PHE A 83 -3.994 9.728 10.141 1.00 0.00 C ATOM 0 H PHE A 83 -2.492 10.760 6.376 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.103 8.126 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.720 9.672 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.517 7.959 5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.051 7.393 7.906 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -5.040 11.101 7.248 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -3.001 7.845 10.317 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -4.993 11.556 9.662 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.972 9.927 11.202 1.00 0.00 H new ATOM 1021 N ASP A 84 -2.956 10.073 3.122 1.00 0.00 N ATOM 1022 CA ASP A 84 -3.070 10.177 1.665 1.00 0.00 C ATOM 1023 C ASP A 84 -1.857 9.570 0.955 1.00 0.00 C ATOM 1024 O ASP A 84 -1.972 9.077 -0.168 1.00 0.00 O ATOM 1025 CB ASP A 84 -3.241 11.643 1.260 1.00 0.00 C ATOM 1026 CG ASP A 84 -3.262 11.842 -0.243 1.00 0.00 C ATOM 1027 OD1 ASP A 84 -4.270 11.487 -0.887 1.00 0.00 O ATOM 1028 OD2 ASP A 84 -2.270 12.362 -0.790 1.00 0.00 O ATOM 0 H ASP A 84 -2.976 10.972 3.603 1.00 0.00 H new ATOM 0 HA ASP A 84 -3.948 9.609 1.357 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.169 12.026 1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.428 12.230 1.688 1.00 0.00 H new ATOM 1033 N GLU A 85 -0.706 9.614 1.623 1.00 0.00 N ATOM 1034 CA GLU A 85 0.552 9.095 1.082 1.00 0.00 C ATOM 1035 C GLU A 85 0.374 7.689 0.515 1.00 0.00 C ATOM 1036 O GLU A 85 0.508 7.476 -0.693 1.00 0.00 O ATOM 1037 CB GLU A 85 1.614 9.102 2.199 1.00 0.00 C ATOM 1038 CG GLU A 85 2.995 8.576 1.811 1.00 0.00 C ATOM 1039 CD GLU A 85 3.095 7.061 1.825 1.00 0.00 C ATOM 1040 OE1 GLU A 85 2.528 6.430 2.744 1.00 0.00 O ATOM 1041 OE2 GLU A 85 3.742 6.504 0.919 1.00 0.00 O ATOM 0 H GLU A 85 -0.618 10.012 2.558 1.00 0.00 H new ATOM 0 HA GLU A 85 0.878 9.734 0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.725 10.124 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.241 8.506 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.246 8.939 0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.737 8.987 2.496 1.00 0.00 H new ATOM 1048 N THR A 86 0.034 6.750 1.387 1.00 0.00 N ATOM 1049 CA THR A 86 -0.002 5.344 1.027 1.00 0.00 C ATOM 1050 C THR A 86 -0.975 5.064 -0.119 1.00 0.00 C ATOM 1051 O THR A 86 -0.659 4.302 -1.030 1.00 0.00 O ATOM 1052 CB THR A 86 -0.374 4.475 2.242 1.00 0.00 C ATOM 1053 OG1 THR A 86 0.440 4.832 3.369 1.00 0.00 O ATOM 1054 CG2 THR A 86 -0.192 2.992 1.927 1.00 0.00 C ATOM 0 H THR A 86 -0.222 6.941 2.356 1.00 0.00 H new ATOM 0 HA THR A 86 1.001 5.084 0.689 1.00 0.00 H new ATOM 0 HB THR A 86 -1.423 4.654 2.480 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.202 5.368 3.065 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.461 2.399 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.833 2.716 1.090 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.849 2.801 1.665 1.00 0.00 H new ATOM 1062 N LYS A 87 -2.151 5.686 -0.093 1.00 0.00 N ATOM 1063 CA LYS A 87 -3.141 5.420 -1.129 1.00 0.00 C ATOM 1064 C LYS A 87 -2.703 5.988 -2.475 1.00 0.00 C ATOM 1065 O LYS A 87 -2.940 5.376 -3.515 1.00 0.00 O ATOM 1066 CB LYS A 87 -4.544 5.920 -0.743 1.00 0.00 C ATOM 1067 CG LYS A 87 -4.656 7.392 -0.363 1.00 0.00 C ATOM 1068 CD LYS A 87 -6.117 7.749 -0.108 1.00 0.00 C ATOM 1069 CE LYS A 87 -6.294 9.087 0.596 1.00 0.00 C ATOM 1070 NZ LYS A 87 -6.452 10.215 -0.360 1.00 0.00 N ATOM 0 H LYS A 87 -2.436 6.361 0.616 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.208 4.336 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.217 5.731 -1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.902 5.322 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.062 7.593 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -4.254 8.015 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.650 7.773 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.576 6.965 0.495 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.168 9.040 1.245 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.432 9.275 1.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.634 10.853 -0.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.511 9.843 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.322 10.740 -0.137 1.00 0.00 H new ATOM 1084 N LYS A 88 -2.029 7.129 -2.456 1.00 0.00 N ATOM 1085 CA LYS A 88 -1.553 7.739 -3.690 1.00 0.00 C ATOM 1086 C LYS A 88 -0.436 6.916 -4.318 1.00 0.00 C ATOM 1087 O LYS A 88 -0.577 6.408 -5.429 1.00 0.00 O ATOM 1088 CB LYS A 88 -1.041 9.157 -3.445 1.00 0.00 C ATOM 1089 CG LYS A 88 -2.036 10.250 -3.788 1.00 0.00 C ATOM 1090 CD LYS A 88 -1.350 11.606 -3.823 1.00 0.00 C ATOM 1091 CE LYS A 88 -2.311 12.721 -4.194 1.00 0.00 C ATOM 1092 NZ LYS A 88 -3.378 12.892 -3.177 1.00 0.00 N ATOM 0 H LYS A 88 -1.801 7.648 -1.608 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.403 7.774 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.761 9.253 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.135 9.310 -4.032 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.493 10.043 -4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.840 10.262 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.911 11.815 -2.847 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.531 11.579 -4.542 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.759 13.655 -4.302 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.763 12.504 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.963 13.716 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.973 12.040 -3.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.946 13.040 -2.243 1.00 0.00 H new ATOM 1106 N VAL A 89 0.661 6.764 -3.588 1.00 0.00 N ATOM 1107 CA VAL A 89 1.864 6.150 -4.132 1.00 0.00 C ATOM 1108 C VAL A 89 1.617 4.698 -4.546 1.00 0.00 C ATOM 1109 O VAL A 89 2.104 4.254 -5.586 1.00 0.00 O ATOM 1110 CB VAL A 89 3.040 6.238 -3.132 1.00 0.00 C ATOM 1111 CG1 VAL A 89 2.732 5.483 -1.849 1.00 0.00 C ATOM 1112 CG2 VAL A 89 4.331 5.737 -3.759 1.00 0.00 C ATOM 0 H VAL A 89 0.742 7.059 -2.615 1.00 0.00 H new ATOM 0 HA VAL A 89 2.135 6.711 -5.026 1.00 0.00 H new ATOM 0 HB VAL A 89 3.176 7.289 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.578 5.564 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.846 5.910 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.551 4.433 -2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.141 5.811 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.209 4.697 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.571 6.344 -4.632 1.00 0.00 H new ATOM 1122 N LEU A 90 0.833 3.978 -3.749 1.00 0.00 N ATOM 1123 CA LEU A 90 0.543 2.577 -4.021 1.00 0.00 C ATOM 1124 C LEU A 90 -0.360 2.440 -5.248 1.00 0.00 C ATOM 1125 O LEU A 90 -0.210 1.506 -6.039 1.00 0.00 O ATOM 1126 CB LEU A 90 -0.100 1.930 -2.787 1.00 0.00 C ATOM 1127 CG LEU A 90 -0.333 0.417 -2.861 1.00 0.00 C ATOM 1128 CD1 LEU A 90 0.950 -0.311 -3.233 1.00 0.00 C ATOM 1129 CD2 LEU A 90 -0.860 -0.099 -1.534 1.00 0.00 C ATOM 0 H LEU A 90 0.387 4.344 -2.908 1.00 0.00 H new ATOM 0 HA LEU A 90 1.476 2.058 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.531 2.138 -1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.059 2.416 -2.606 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.074 0.224 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.760 -1.383 -3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.298 0.038 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.713 -0.110 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.021 -1.175 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.135 0.112 -0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.803 0.395 -1.300 1.00 0.00 H new ATOM 1141 N ALA A 91 -1.281 3.382 -5.419 1.00 0.00 N ATOM 1142 CA ALA A 91 -2.157 3.376 -6.584 1.00 0.00 C ATOM 1143 C ALA A 91 -1.394 3.780 -7.839 1.00 0.00 C ATOM 1144 O ALA A 91 -1.544 3.159 -8.889 1.00 0.00 O ATOM 1145 CB ALA A 91 -3.346 4.299 -6.369 1.00 0.00 C ATOM 0 H ALA A 91 -1.440 4.154 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.528 2.360 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.986 4.279 -7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.914 3.965 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.991 5.316 -6.201 1.00 0.00 H new ATOM 1151 N PHE A 92 -0.566 4.814 -7.723 1.00 0.00 N ATOM 1152 CA PHE A 92 0.201 5.317 -8.860 1.00 0.00 C ATOM 1153 C PHE A 92 1.132 4.254 -9.437 1.00 0.00 C ATOM 1154 O PHE A 92 1.178 4.067 -10.653 1.00 0.00 O ATOM 1155 CB PHE A 92 0.999 6.565 -8.474 1.00 0.00 C ATOM 1156 CG PHE A 92 0.247 7.850 -8.683 1.00 0.00 C ATOM 1157 CD1 PHE A 92 -0.617 8.335 -7.714 1.00 0.00 C ATOM 1158 CD2 PHE A 92 0.409 8.573 -9.855 1.00 0.00 C ATOM 1159 CE1 PHE A 92 -1.307 9.514 -7.910 1.00 0.00 C ATOM 1160 CE2 PHE A 92 -0.278 9.755 -10.055 1.00 0.00 C ATOM 1161 CZ PHE A 92 -1.136 10.225 -9.082 1.00 0.00 C ATOM 0 H PHE A 92 -0.408 5.321 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.518 5.585 -9.634 1.00 0.00 H new ATOM 0 HB2 PHE A 92 1.289 6.490 -7.426 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.919 6.593 -9.058 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -0.752 7.784 -6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.079 8.208 -10.619 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -1.980 9.880 -7.148 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.144 10.310 -10.972 1.00 0.00 H new ATOM 0 HZ PHE A 92 -1.674 11.149 -9.237 1.00 0.00 H new ATOM 1171 N VAL A 93 1.869 3.554 -8.576 1.00 0.00 N ATOM 1172 CA VAL A 93 2.778 2.516 -9.041 1.00 0.00 C ATOM 1173 C VAL A 93 2.009 1.374 -9.701 1.00 0.00 C ATOM 1174 O VAL A 93 2.388 0.897 -10.772 1.00 0.00 O ATOM 1175 CB VAL A 93 3.677 1.970 -7.907 1.00 0.00 C ATOM 1176 CG1 VAL A 93 4.645 3.042 -7.429 1.00 0.00 C ATOM 1177 CG2 VAL A 93 2.857 1.440 -6.739 1.00 0.00 C ATOM 0 H VAL A 93 1.853 3.687 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 93 3.430 2.979 -9.781 1.00 0.00 H new ATOM 0 HB VAL A 93 4.246 1.135 -8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 93 5.269 2.639 -6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 93 5.277 3.358 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.084 3.898 -7.054 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.527 1.066 -5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.243 2.243 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.213 0.631 -7.084 1.00 0.00 H new ATOM 1187 N ALA A 94 0.925 0.949 -9.064 1.00 0.00 N ATOM 1188 CA ALA A 94 0.081 -0.099 -9.616 1.00 0.00 C ATOM 1189 C ALA A 94 -0.502 0.314 -10.964 1.00 0.00 C ATOM 1190 O ALA A 94 -0.402 -0.426 -11.936 1.00 0.00 O ATOM 1191 CB ALA A 94 -1.043 -0.443 -8.656 1.00 0.00 C ATOM 0 H ALA A 94 0.611 1.315 -8.165 1.00 0.00 H new ATOM 0 HA ALA A 94 0.706 -0.980 -9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -1.663 -1.229 -9.088 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.622 -0.790 -7.712 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -1.653 0.443 -8.477 1.00 0.00 H new ATOM 1197 N GLU A 95 -1.090 1.506 -11.014 1.00 0.00 N ATOM 1198 CA GLU A 95 -1.793 1.979 -12.204 1.00 0.00 C ATOM 1199 C GLU A 95 -0.846 2.129 -13.392 1.00 0.00 C ATOM 1200 O GLU A 95 -1.165 1.705 -14.506 1.00 0.00 O ATOM 1201 CB GLU A 95 -2.491 3.314 -11.917 1.00 0.00 C ATOM 1202 CG GLU A 95 -3.370 3.798 -13.058 1.00 0.00 C ATOM 1203 CD GLU A 95 -4.066 5.111 -12.756 1.00 0.00 C ATOM 1204 OE1 GLU A 95 -3.458 6.175 -12.988 1.00 0.00 O ATOM 1205 OE2 GLU A 95 -5.235 5.086 -12.315 1.00 0.00 O ATOM 0 H GLU A 95 -1.093 2.167 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.542 1.231 -12.463 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.100 3.210 -11.019 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.736 4.071 -11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.761 3.914 -13.954 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.120 3.038 -13.279 1.00 0.00 H new ATOM 1212 N ASP A 96 0.322 2.714 -13.148 1.00 0.00 N ATOM 1213 CA ASP A 96 1.289 2.959 -14.213 1.00 0.00 C ATOM 1214 C ASP A 96 1.775 1.641 -14.805 1.00 0.00 C ATOM 1215 O ASP A 96 2.001 1.532 -16.009 1.00 0.00 O ATOM 1216 CB ASP A 96 2.475 3.770 -13.691 1.00 0.00 C ATOM 1217 CG ASP A 96 3.280 4.404 -14.811 1.00 0.00 C ATOM 1218 OD1 ASP A 96 2.892 5.500 -15.275 1.00 0.00 O ATOM 1219 OD2 ASP A 96 4.300 3.823 -15.227 1.00 0.00 O ATOM 0 H ASP A 96 0.622 3.027 -12.225 1.00 0.00 H new ATOM 0 HA ASP A 96 0.794 3.534 -14.996 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.112 4.550 -13.022 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.124 3.122 -13.103 1.00 0.00 H new ATOM 1224 N ARG A 97 1.914 0.635 -13.953 1.00 0.00 N ATOM 1225 CA ARG A 97 2.302 -0.693 -14.405 1.00 0.00 C ATOM 1226 C ARG A 97 1.112 -1.387 -15.069 1.00 0.00 C ATOM 1227 O ARG A 97 1.238 -1.957 -16.155 1.00 0.00 O ATOM 1228 CB ARG A 97 2.834 -1.517 -13.220 1.00 0.00 C ATOM 1229 CG ARG A 97 3.413 -2.880 -13.597 1.00 0.00 C ATOM 1230 CD ARG A 97 2.337 -3.953 -13.718 1.00 0.00 C ATOM 1231 NE ARG A 97 2.894 -5.256 -14.082 1.00 0.00 N ATOM 1232 CZ ARG A 97 2.225 -6.407 -13.992 1.00 0.00 C ATOM 1233 NH1 ARG A 97 0.973 -6.425 -13.549 1.00 0.00 N ATOM 1234 NH2 ARG A 97 2.805 -7.541 -14.357 1.00 0.00 N ATOM 0 H ARG A 97 1.764 0.713 -12.947 1.00 0.00 H new ATOM 0 HA ARG A 97 3.099 -0.605 -15.143 1.00 0.00 H new ATOM 0 HB2 ARG A 97 3.605 -0.939 -12.710 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.024 -1.667 -12.507 1.00 0.00 H new ATOM 0 HG2 ARG A 97 3.947 -2.796 -14.543 1.00 0.00 H new ATOM 0 HG3 ARG A 97 4.142 -3.183 -12.845 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.804 -4.039 -12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 97 1.607 -3.650 -14.468 1.00 0.00 H new ATOM 0 HE ARG A 97 3.854 -5.286 -14.426 1.00 0.00 H new ATOM 0 HH11 ARG A 97 0.516 -5.555 -13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.468 -7.309 -13.483 1.00 0.00 H new ATOM 0 HH21 ARG A 97 3.763 -7.534 -14.707 1.00 0.00 H new ATOM 0 HH22 ARG A 97 2.293 -8.421 -14.288 1.00 0.00 H new ATOM 1248 N ALA A 98 -0.042 -1.315 -14.410 1.00 0.00 N ATOM 1249 CA ALA A 98 -1.260 -1.960 -14.885 1.00 0.00 C ATOM 1250 C ALA A 98 -1.625 -1.533 -16.301 1.00 0.00 C ATOM 1251 O ALA A 98 -1.769 -2.375 -17.177 1.00 0.00 O ATOM 1252 CB ALA A 98 -2.420 -1.668 -13.942 1.00 0.00 C ATOM 0 H ALA A 98 -0.157 -0.808 -13.533 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.066 -3.032 -14.903 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.321 -2.157 -14.312 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.184 -2.046 -12.947 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.586 -0.592 -13.892 1.00 0.00 H new ATOM 1258 N ARG A 99 -1.753 -0.228 -16.526 1.00 0.00 N ATOM 1259 CA ARG A 99 -2.248 0.273 -17.809 1.00 0.00 C ATOM 1260 C ARG A 99 -1.261 -0.008 -18.948 1.00 0.00 C ATOM 1261 O ARG A 99 -1.659 -0.098 -20.107 1.00 0.00 O ATOM 1262 CB ARG A 99 -2.638 1.769 -17.717 1.00 0.00 C ATOM 1263 CG ARG A 99 -1.656 2.775 -18.314 1.00 0.00 C ATOM 1264 CD ARG A 99 -0.381 2.902 -17.498 1.00 0.00 C ATOM 1265 NE ARG A 99 0.225 4.233 -17.616 1.00 0.00 N ATOM 1266 CZ ARG A 99 0.906 4.673 -18.681 1.00 0.00 C ATOM 1267 NH1 ARG A 99 0.971 3.948 -19.792 1.00 0.00 N ATOM 1268 NH2 ARG A 99 1.484 5.868 -18.642 1.00 0.00 N ATOM 0 H ARG A 99 -1.524 0.497 -15.846 1.00 0.00 H new ATOM 0 HA ARG A 99 -3.158 -0.276 -18.050 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -3.601 1.900 -18.211 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -2.783 2.018 -16.666 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.404 2.472 -19.330 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.138 3.750 -18.383 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.601 2.697 -16.450 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.335 2.149 -17.827 1.00 0.00 H new ATOM 0 HE ARG A 99 0.119 4.871 -16.827 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.499 3.045 -19.840 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.493 4.294 -20.597 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.407 6.444 -17.804 1.00 0.00 H new ATOM 0 HH22 ARG A 99 2.004 6.209 -19.450 1.00 0.00 H new ATOM 1282 N GLN A 100 0.021 -0.153 -18.618 1.00 0.00 N ATOM 1283 CA GLN A 100 1.034 -0.480 -19.623 1.00 0.00 C ATOM 1284 C GLN A 100 1.014 -1.967 -19.966 1.00 0.00 C ATOM 1285 O GLN A 100 1.388 -2.365 -21.071 1.00 0.00 O ATOM 1286 CB GLN A 100 2.432 -0.090 -19.144 1.00 0.00 C ATOM 1287 CG GLN A 100 2.686 1.403 -19.152 1.00 0.00 C ATOM 1288 CD GLN A 100 4.112 1.749 -18.784 1.00 0.00 C ATOM 1289 OE1 GLN A 100 4.986 1.825 -19.650 1.00 0.00 O ATOM 1290 NE2 GLN A 100 4.359 1.966 -17.504 1.00 0.00 N ATOM 0 H GLN A 100 0.383 -0.050 -17.670 1.00 0.00 H new ATOM 0 HA GLN A 100 0.792 0.093 -20.518 1.00 0.00 H new ATOM 0 HB2 GLN A 100 2.578 -0.469 -18.132 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.172 -0.579 -19.777 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.463 1.801 -20.142 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.005 1.888 -18.452 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.606 1.893 -16.820 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.302 2.207 -17.200 1.00 0.00 H new ATOM 1299 N SER A 101 0.582 -2.781 -19.018 1.00 0.00 N ATOM 1300 CA SER A 101 0.558 -4.220 -19.209 1.00 0.00 C ATOM 1301 C SER A 101 -0.836 -4.680 -19.625 1.00 0.00 C ATOM 1302 O SER A 101 -1.040 -5.135 -20.749 1.00 0.00 O ATOM 1303 CB SER A 101 1.000 -4.925 -17.921 1.00 0.00 C ATOM 1304 OG SER A 101 1.057 -6.332 -18.090 1.00 0.00 O ATOM 0 H SER A 101 0.243 -2.469 -18.108 1.00 0.00 H new ATOM 0 HA SER A 101 1.253 -4.482 -20.007 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.980 -4.554 -17.620 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.306 -4.682 -17.116 1.00 0.00 H new ATOM 0 HG SER A 101 1.343 -6.751 -17.252 1.00 0.00 H new ATOM 1310 N LYS A 102 -1.792 -4.553 -18.716 1.00 0.00 N ATOM 1311 CA LYS A 102 -3.160 -4.965 -18.977 1.00 0.00 C ATOM 1312 C LYS A 102 -4.025 -3.747 -19.307 1.00 0.00 C ATOM 1313 O LYS A 102 -4.309 -3.488 -20.479 1.00 0.00 O ATOM 1314 CB LYS A 102 -3.708 -5.708 -17.758 1.00 0.00 C ATOM 1315 CG LYS A 102 -2.924 -6.971 -17.424 1.00 0.00 C ATOM 1316 CD LYS A 102 -2.777 -7.166 -15.923 1.00 0.00 C ATOM 1317 CE LYS A 102 -4.121 -7.236 -15.224 1.00 0.00 C ATOM 1318 NZ LYS A 102 -3.976 -7.329 -13.746 1.00 0.00 N ATOM 0 H LYS A 102 -1.642 -4.165 -17.785 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.181 -5.635 -19.836 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -3.693 -5.040 -16.897 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.750 -5.972 -17.939 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -3.428 -7.836 -17.855 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.936 -6.917 -17.882 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -2.220 -8.083 -15.730 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.194 -6.345 -15.506 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -4.707 -6.352 -15.476 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.675 -8.101 -15.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.876 -7.071 -13.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.722 -8.302 -13.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -3.229 -6.678 -13.429 1.00 0.00 H new ATOM 1332 N LYS A 103 -4.400 -2.989 -18.266 1.00 0.00 N ATOM 1333 CA LYS A 103 -5.130 -1.723 -18.416 1.00 0.00 C ATOM 1334 C LYS A 103 -5.660 -1.210 -17.066 1.00 0.00 C ATOM 1335 O LYS A 103 -5.296 -0.116 -16.642 1.00 0.00 O ATOM 1336 CB LYS A 103 -6.293 -1.826 -19.420 1.00 0.00 C ATOM 1337 CG LYS A 103 -7.011 -0.503 -19.646 1.00 0.00 C ATOM 1338 CD LYS A 103 -8.002 -0.578 -20.800 1.00 0.00 C ATOM 1339 CE LYS A 103 -8.710 0.753 -21.006 1.00 0.00 C ATOM 1340 NZ LYS A 103 -9.518 0.770 -22.253 1.00 0.00 N ATOM 0 H LYS A 103 -4.205 -3.237 -17.296 1.00 0.00 H new ATOM 0 HA LYS A 103 -4.407 -1.009 -18.809 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.910 -2.191 -20.373 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.010 -2.564 -19.061 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.537 -0.216 -18.735 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.277 0.277 -19.849 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.479 -0.860 -21.714 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.738 -1.357 -20.601 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.357 0.955 -20.153 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.972 1.554 -21.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.982 1.695 -22.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.898 0.604 -23.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.240 0.023 -22.209 1.00 0.00 H new ATOM 1354 N PRO A 104 -6.523 -1.977 -16.365 1.00 0.00 N ATOM 1355 CA PRO A 104 -7.214 -1.492 -15.167 1.00 0.00 C ATOM 1356 C PRO A 104 -6.350 -1.517 -13.904 1.00 0.00 C ATOM 1357 O PRO A 104 -5.730 -2.533 -13.577 1.00 0.00 O ATOM 1358 CB PRO A 104 -8.400 -2.459 -15.011 1.00 0.00 C ATOM 1359 CG PRO A 104 -8.322 -3.408 -16.165 1.00 0.00 C ATOM 1360 CD PRO A 104 -6.907 -3.360 -16.656 1.00 0.00 C ATOM 0 HA PRO A 104 -7.498 -0.446 -15.284 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.343 -2.994 -14.063 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.346 -1.918 -15.016 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.592 -4.418 -15.856 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -9.017 -3.119 -16.953 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.271 -4.077 -16.136 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -6.838 -3.586 -17.720 1.00 0.00 H new ATOM 1368 N ILE A 105 -6.338 -0.395 -13.191 1.00 0.00 N ATOM 1369 CA ILE A 105 -5.629 -0.282 -11.919 1.00 0.00 C ATOM 1370 C ILE A 105 -6.369 -1.039 -10.818 1.00 0.00 C ATOM 1371 O ILE A 105 -5.752 -1.743 -10.019 1.00 0.00 O ATOM 1372 CB ILE A 105 -5.433 1.206 -11.501 1.00 0.00 C ATOM 1373 CG1 ILE A 105 -5.240 1.362 -9.986 1.00 0.00 C ATOM 1374 CG2 ILE A 105 -6.603 2.050 -11.950 1.00 0.00 C ATOM 1375 CD1 ILE A 105 -3.944 0.797 -9.467 1.00 0.00 C ATOM 0 H ILE A 105 -6.817 0.459 -13.476 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.644 -0.728 -12.057 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.525 1.552 -11.995 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.289 2.421 -9.732 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.068 0.872 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.443 3.085 -11.647 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.693 2.000 -13.035 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -7.519 1.675 -11.493 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -3.887 0.948 -8.389 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.898 -0.270 -9.687 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.108 1.303 -9.949 1.00 0.00 H new ATOM 1387 N GLN A 106 -7.692 -0.910 -10.788 1.00 0.00 N ATOM 1388 CA GLN A 106 -8.482 -1.550 -9.747 1.00 0.00 C ATOM 1389 C GLN A 106 -8.316 -3.063 -9.813 1.00 0.00 C ATOM 1390 O GLN A 106 -8.172 -3.721 -8.787 1.00 0.00 O ATOM 1391 CB GLN A 106 -9.958 -1.165 -9.857 1.00 0.00 C ATOM 1392 CG GLN A 106 -10.828 -1.780 -8.770 1.00 0.00 C ATOM 1393 CD GLN A 106 -10.358 -1.426 -7.369 1.00 0.00 C ATOM 1394 OE1 GLN A 106 -10.784 -0.427 -6.792 1.00 0.00 O ATOM 1395 NE2 GLN A 106 -9.470 -2.240 -6.818 1.00 0.00 N ATOM 0 H GLN A 106 -8.233 -0.373 -11.466 1.00 0.00 H new ATOM 0 HA GLN A 106 -8.118 -1.199 -8.781 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.047 -0.080 -9.812 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -10.335 -1.475 -10.832 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.856 -1.442 -8.900 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.832 -2.864 -8.884 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.142 -3.059 -7.330 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.114 -2.048 -5.881 1.00 0.00 H new ATOM 1404 N ASP A 107 -8.318 -3.603 -11.023 1.00 0.00 N ATOM 1405 CA ASP A 107 -8.078 -5.029 -11.224 1.00 0.00 C ATOM 1406 C ASP A 107 -6.693 -5.421 -10.721 1.00 0.00 C ATOM 1407 O ASP A 107 -6.518 -6.473 -10.101 1.00 0.00 O ATOM 1408 CB ASP A 107 -8.204 -5.396 -12.704 1.00 0.00 C ATOM 1409 CG ASP A 107 -7.809 -6.835 -12.974 1.00 0.00 C ATOM 1410 OD1 ASP A 107 -8.658 -7.737 -12.799 1.00 0.00 O ATOM 1411 OD2 ASP A 107 -6.652 -7.071 -13.375 1.00 0.00 O ATOM 0 H ASP A 107 -8.483 -3.078 -11.882 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.831 -5.575 -10.655 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.232 -5.236 -13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.575 -4.731 -13.296 1.00 0.00 H new ATOM 1416 N GLU A 108 -5.720 -4.556 -10.977 1.00 0.00 N ATOM 1417 CA GLU A 108 -4.343 -4.815 -10.587 1.00 0.00 C ATOM 1418 C GLU A 108 -4.213 -4.802 -9.066 1.00 0.00 C ATOM 1419 O GLU A 108 -3.652 -5.725 -8.478 1.00 0.00 O ATOM 1420 CB GLU A 108 -3.412 -3.774 -11.209 1.00 0.00 C ATOM 1421 CG GLU A 108 -1.964 -4.225 -11.291 1.00 0.00 C ATOM 1422 CD GLU A 108 -1.818 -5.531 -12.048 1.00 0.00 C ATOM 1423 OE1 GLU A 108 -1.928 -5.520 -13.290 1.00 0.00 O ATOM 1424 OE2 GLU A 108 -1.600 -6.576 -11.407 1.00 0.00 O ATOM 0 H GLU A 108 -5.861 -3.666 -11.455 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.056 -5.801 -10.952 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.767 -3.535 -12.212 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.465 -2.856 -10.624 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.371 -3.453 -11.782 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.563 -4.343 -10.284 1.00 0.00 H new ATOM 1431 N LEU A 109 -4.760 -3.770 -8.430 1.00 0.00 N ATOM 1432 CA LEU A 109 -4.705 -3.664 -6.978 1.00 0.00 C ATOM 1433 C LEU A 109 -5.516 -4.782 -6.341 1.00 0.00 C ATOM 1434 O LEU A 109 -5.123 -5.334 -5.316 1.00 0.00 O ATOM 1435 CB LEU A 109 -5.230 -2.310 -6.497 1.00 0.00 C ATOM 1436 CG LEU A 109 -5.125 -2.088 -4.986 1.00 0.00 C ATOM 1437 CD1 LEU A 109 -3.672 -1.920 -4.569 1.00 0.00 C ATOM 1438 CD2 LEU A 109 -5.947 -0.884 -4.565 1.00 0.00 C ATOM 0 H LEU A 109 -5.243 -3.001 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.661 -3.752 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.679 -1.519 -7.007 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -6.274 -2.213 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 109 -5.525 -2.968 -4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.618 -1.763 -3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.112 -2.817 -4.834 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.243 -1.059 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.860 -0.743 -3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.580 0.005 -5.079 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -6.993 -1.048 -4.826 1.00 0.00 H new ATOM 1450 N ASP A 110 -6.643 -5.111 -6.959 1.00 0.00 N ATOM 1451 CA ASP A 110 -7.487 -6.207 -6.495 1.00 0.00 C ATOM 1452 C ASP A 110 -6.694 -7.504 -6.492 1.00 0.00 C ATOM 1453 O ASP A 110 -6.720 -8.253 -5.517 1.00 0.00 O ATOM 1454 CB ASP A 110 -8.719 -6.348 -7.392 1.00 0.00 C ATOM 1455 CG ASP A 110 -9.688 -7.405 -6.906 1.00 0.00 C ATOM 1456 OD1 ASP A 110 -9.539 -8.583 -7.293 1.00 0.00 O ATOM 1457 OD2 ASP A 110 -10.622 -7.057 -6.153 1.00 0.00 O ATOM 0 H ASP A 110 -6.996 -4.632 -7.787 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.819 -5.989 -5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -9.234 -5.389 -7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -8.398 -6.595 -8.404 1.00 0.00 H new ATOM 1462 N ALA A 111 -5.969 -7.740 -7.582 1.00 0.00 N ATOM 1463 CA ALA A 111 -5.105 -8.905 -7.696 1.00 0.00 C ATOM 1464 C ALA A 111 -4.052 -8.904 -6.595 1.00 0.00 C ATOM 1465 O ALA A 111 -3.890 -9.890 -5.888 1.00 0.00 O ATOM 1466 CB ALA A 111 -4.444 -8.944 -9.067 1.00 0.00 C ATOM 0 H ALA A 111 -5.965 -7.134 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.718 -9.799 -7.581 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -3.801 -9.821 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.211 -8.995 -9.840 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.846 -8.044 -9.208 1.00 0.00 H new ATOM 1472 N ILE A 112 -3.353 -7.783 -6.444 1.00 0.00 N ATOM 1473 CA ILE A 112 -2.342 -7.640 -5.397 1.00 0.00 C ATOM 1474 C ILE A 112 -2.939 -7.953 -4.026 1.00 0.00 C ATOM 1475 O ILE A 112 -2.394 -8.752 -3.265 1.00 0.00 O ATOM 1476 CB ILE A 112 -1.751 -6.210 -5.375 1.00 0.00 C ATOM 1477 CG1 ILE A 112 -1.111 -5.868 -6.723 1.00 0.00 C ATOM 1478 CG2 ILE A 112 -0.727 -6.075 -4.255 1.00 0.00 C ATOM 1479 CD1 ILE A 112 -0.645 -4.430 -6.827 1.00 0.00 C ATOM 0 H ILE A 112 -3.467 -6.958 -7.033 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.544 -8.348 -5.620 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.564 -5.507 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.261 -6.529 -6.890 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -1.830 -6.066 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.321 -5.063 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.207 -6.275 -3.297 1.00 0.00 H new ATOM 0 HG23 ILE A 112 0.081 -6.790 -4.412 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -0.203 -4.261 -7.809 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -1.495 -3.761 -6.692 1.00 0.00 H new ATOM 0 HD13 ILE A 112 0.098 -4.232 -6.055 1.00 0.00 H new ATOM 1491 N THR A 113 -4.079 -7.339 -3.741 1.00 0.00 N ATOM 1492 CA THR A 113 -4.730 -7.473 -2.446 1.00 0.00 C ATOM 1493 C THR A 113 -5.155 -8.920 -2.177 1.00 0.00 C ATOM 1494 O THR A 113 -4.931 -9.447 -1.084 1.00 0.00 O ATOM 1495 CB THR A 113 -5.955 -6.537 -2.354 1.00 0.00 C ATOM 1496 OG1 THR A 113 -5.567 -5.202 -2.702 1.00 0.00 O ATOM 1497 CG2 THR A 113 -6.550 -6.530 -0.953 1.00 0.00 C ATOM 0 H THR A 113 -4.576 -6.737 -4.397 1.00 0.00 H new ATOM 0 HA THR A 113 -4.005 -7.186 -1.685 1.00 0.00 H new ATOM 0 HB THR A 113 -6.710 -6.907 -3.047 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.687 -5.067 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 113 -7.410 -5.861 -0.926 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.867 -7.538 -0.687 1.00 0.00 H new ATOM 0 HG23 THR A 113 -5.800 -6.186 -0.241 1.00 0.00 H new ATOM 1505 N GLU A 114 -5.743 -9.570 -3.177 1.00 0.00 N ATOM 1506 CA GLU A 114 -6.206 -10.940 -3.007 1.00 0.00 C ATOM 1507 C GLU A 114 -5.033 -11.916 -2.955 1.00 0.00 C ATOM 1508 O GLU A 114 -5.061 -12.860 -2.178 1.00 0.00 O ATOM 1509 CB GLU A 114 -7.241 -11.334 -4.078 1.00 0.00 C ATOM 1510 CG GLU A 114 -6.729 -11.355 -5.507 1.00 0.00 C ATOM 1511 CD GLU A 114 -6.250 -12.724 -5.946 1.00 0.00 C ATOM 1512 OE1 GLU A 114 -7.006 -13.704 -5.791 1.00 0.00 O ATOM 1513 OE2 GLU A 114 -5.135 -12.822 -6.487 1.00 0.00 O ATOM 0 H GLU A 114 -5.908 -9.174 -4.103 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.718 -10.997 -2.046 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -7.630 -12.323 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -8.079 -10.639 -4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.523 -11.022 -6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.911 -10.642 -5.604 1.00 0.00 H new ATOM 1520 N LYS A 115 -4.005 -11.688 -3.773 1.00 0.00 N ATOM 1521 CA LYS A 115 -2.809 -12.537 -3.764 1.00 0.00 C ATOM 1522 C LYS A 115 -2.177 -12.584 -2.376 1.00 0.00 C ATOM 1523 O LYS A 115 -1.699 -13.627 -1.943 1.00 0.00 O ATOM 1524 CB LYS A 115 -1.766 -12.052 -4.779 1.00 0.00 C ATOM 1525 CG LYS A 115 -2.147 -12.290 -6.234 1.00 0.00 C ATOM 1526 CD LYS A 115 -1.024 -11.896 -7.183 1.00 0.00 C ATOM 1527 CE LYS A 115 0.170 -12.827 -7.044 1.00 0.00 C ATOM 1528 NZ LYS A 115 1.296 -12.441 -7.932 1.00 0.00 N ATOM 0 H LYS A 115 -3.974 -10.925 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 115 -3.132 -13.539 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.600 -10.985 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -0.820 -12.554 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.393 -13.342 -6.378 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.043 -11.718 -6.474 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -1.388 -11.919 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -0.714 -10.871 -6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 115 0.510 -12.825 -6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.139 -13.846 -7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 2.085 -13.105 -7.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 0.982 -12.468 -8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 1.611 -11.478 -7.695 1.00 0.00 H new ATOM 1542 N LEU A 116 -2.173 -11.448 -1.688 1.00 0.00 N ATOM 1543 CA LEU A 116 -1.612 -11.365 -0.340 1.00 0.00 C ATOM 1544 C LEU A 116 -2.458 -12.158 0.652 1.00 0.00 C ATOM 1545 O LEU A 116 -1.932 -12.856 1.515 1.00 0.00 O ATOM 1546 CB LEU A 116 -1.533 -9.909 0.097 1.00 0.00 C ATOM 1547 CG LEU A 116 -0.651 -9.025 -0.784 1.00 0.00 C ATOM 1548 CD1 LEU A 116 -0.886 -7.560 -0.471 1.00 0.00 C ATOM 1549 CD2 LEU A 116 0.818 -9.383 -0.601 1.00 0.00 C ATOM 0 H LEU A 116 -2.552 -10.569 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.610 -11.795 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.540 -9.493 0.112 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.157 -9.870 1.119 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.919 -9.201 -1.826 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.250 -6.945 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.931 -7.312 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.646 -7.368 0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.430 -8.743 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.101 -9.237 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.976 -10.426 -0.877 1.00 0.00 H new ATOM 1561 N ALA A 117 -3.771 -12.036 0.519 1.00 0.00 N ATOM 1562 CA ALA A 117 -4.705 -12.808 1.331 1.00 0.00 C ATOM 1563 C ALA A 117 -4.572 -14.292 1.002 1.00 0.00 C ATOM 1564 O ALA A 117 -4.624 -15.158 1.877 1.00 0.00 O ATOM 1565 CB ALA A 117 -6.126 -12.328 1.073 1.00 0.00 C ATOM 0 H ALA A 117 -4.217 -11.406 -0.148 1.00 0.00 H new ATOM 0 HA ALA A 117 -4.474 -12.665 2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.822 -12.907 1.681 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.207 -11.273 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.369 -12.460 0.019 1.00 0.00 H new ATOM 1571 N LYS A 118 -4.378 -14.553 -0.280 1.00 0.00 N ATOM 1572 CA LYS A 118 -4.215 -15.896 -0.815 1.00 0.00 C ATOM 1573 C LYS A 118 -2.836 -16.455 -0.457 1.00 0.00 C ATOM 1574 O LYS A 118 -2.590 -17.658 -0.555 1.00 0.00 O ATOM 1575 CB LYS A 118 -4.421 -15.835 -2.330 1.00 0.00 C ATOM 1576 CG LYS A 118 -4.483 -17.180 -3.031 1.00 0.00 C ATOM 1577 CD LYS A 118 -5.065 -17.025 -4.428 1.00 0.00 C ATOM 1578 CE LYS A 118 -4.261 -16.044 -5.269 1.00 0.00 C ATOM 1579 NZ LYS A 118 -5.020 -15.585 -6.462 1.00 0.00 N ATOM 0 H LYS A 118 -4.328 -13.824 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 118 -4.952 -16.569 -0.377 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -5.346 -15.295 -2.533 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -3.610 -15.253 -2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.484 -17.611 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -5.094 -17.872 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -5.086 -17.996 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -6.097 -16.681 -4.356 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -3.987 -15.183 -4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.332 -16.516 -5.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -4.735 -14.614 -6.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -4.818 -16.214 -7.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -6.039 -15.605 -6.254 1.00 0.00 H new ATOM 1593 N LEU A 119 -1.940 -15.565 -0.033 1.00 0.00 N ATOM 1594 CA LEU A 119 -0.594 -15.945 0.397 1.00 0.00 C ATOM 1595 C LEU A 119 -0.635 -16.564 1.803 1.00 0.00 C ATOM 1596 O LEU A 119 0.356 -16.541 2.537 1.00 0.00 O ATOM 1597 CB LEU A 119 0.312 -14.703 0.385 1.00 0.00 C ATOM 1598 CG LEU A 119 1.816 -14.959 0.532 1.00 0.00 C ATOM 1599 CD1 LEU A 119 2.364 -15.674 -0.694 1.00 0.00 C ATOM 1600 CD2 LEU A 119 2.557 -13.648 0.763 1.00 0.00 C ATOM 0 H LEU A 119 -2.125 -14.563 0.022 1.00 0.00 H new ATOM 0 HA LEU A 119 -0.194 -16.690 -0.290 1.00 0.00 H new ATOM 0 HB2 LEU A 119 0.146 -14.167 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -0.003 -14.042 1.192 1.00 0.00 H new ATOM 0 HG LEU A 119 1.971 -15.603 1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.433 -15.845 -0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 119 1.855 -16.630 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU A 119 2.197 -15.059 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.624 -13.846 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.391 -12.982 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.187 -13.176 1.673 1.00 0.00 H new ATOM 1612 N GLU A 120 -1.788 -17.145 2.138 1.00 0.00 N ATOM 1613 CA GLU A 120 -2.045 -17.752 3.441 1.00 0.00 C ATOM 1614 C GLU A 120 -2.137 -16.692 4.534 1.00 0.00 C ATOM 1615 O GLU A 120 -1.212 -16.515 5.332 1.00 0.00 O ATOM 1616 CB GLU A 120 -0.985 -18.791 3.807 1.00 0.00 C ATOM 1617 CG GLU A 120 -0.878 -19.948 2.831 1.00 0.00 C ATOM 1618 CD GLU A 120 0.169 -20.951 3.261 1.00 0.00 C ATOM 1619 OE1 GLU A 120 1.358 -20.749 2.946 1.00 0.00 O ATOM 1620 OE2 GLU A 120 -0.189 -21.936 3.940 1.00 0.00 O ATOM 0 H GLU A 120 -2.581 -17.207 1.500 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.005 -18.263 3.366 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.016 -18.296 3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.208 -19.187 4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.845 -20.445 2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.630 -19.566 1.841 1.00 0.00 H new