USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 556 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 14 MET CE :methyl 147:sc= -0.181 (180deg=-0.704) USER MOD Set 1.2: A 73 GLN : amide:sc= -0.0262 X(o=-0.21,f=-0.32) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 15 CYS SG : rot -17:sc= -0.996 USER MOD Single : A 16 MET CE :methyl 171:sc= 0 (180deg=-0.0949) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-1) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.2 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -166:sc=-0.00778 (180deg=-0.234) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.126 X(o=-0.13,f=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -1.25 (180deg=-1.98) USER MOD Single : A 70 MET CE :methyl -159:sc= 0 (180deg=-0.512) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 9 1.194 1.414 -0.288 1.00 0.00 N ATOM 21 CA GLY A 9 1.060 2.655 0.465 1.00 0.00 C ATOM 22 C GLY A 9 1.335 2.434 1.947 1.00 0.00 C ATOM 23 O GLY A 9 1.951 3.272 2.606 1.00 0.00 O ATOM 0 HA2 GLY A 9 1.753 3.399 0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.055 3.055 0.335 1.00 0.00 H new ATOM 27 N TRP A 10 0.877 1.300 2.465 1.00 0.00 N ATOM 28 CA TRP A 10 1.107 0.947 3.861 1.00 0.00 C ATOM 29 C TRP A 10 2.591 0.994 4.203 1.00 0.00 C ATOM 30 O TRP A 10 2.991 1.609 5.192 1.00 0.00 O ATOM 31 CB TRP A 10 0.557 -0.449 4.156 1.00 0.00 C ATOM 32 CG TRP A 10 -0.907 -0.460 4.476 1.00 0.00 C ATOM 33 CD1 TRP A 10 -1.923 -0.805 3.635 1.00 0.00 C ATOM 34 CD2 TRP A 10 -1.531 -0.108 5.735 1.00 0.00 C ATOM 35 NE1 TRP A 10 -3.130 -0.692 4.280 1.00 0.00 N ATOM 36 CE2 TRP A 10 -2.909 -0.268 5.566 1.00 0.00 C ATOM 37 CE3 TRP A 10 -1.038 0.322 6.973 1.00 0.00 C ATOM 38 CZ2 TRP A 10 -3.808 -0.011 6.589 1.00 0.00 C ATOM 39 CZ3 TRP A 10 -1.939 0.579 7.999 1.00 0.00 C ATOM 40 CH2 TRP A 10 -3.289 0.415 7.811 1.00 0.00 C ATOM 0 H TRP A 10 0.343 0.608 1.938 1.00 0.00 H new ATOM 0 HA TRP A 10 0.585 1.678 4.478 1.00 0.00 H new ATOM 0 HB2 TRP A 10 0.737 -1.091 3.294 1.00 0.00 H new ATOM 0 HB3 TRP A 10 1.107 -0.878 4.994 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -1.797 -1.121 2.610 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -4.042 -0.891 3.870 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.023 0.452 7.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -4.871 -0.136 6.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -1.572 0.913 8.958 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -3.964 0.621 8.628 1.00 0.00 H new ATOM 51 N LEU A 11 3.404 0.342 3.379 1.00 0.00 N ATOM 52 CA LEU A 11 4.842 0.281 3.611 1.00 0.00 C ATOM 53 C LEU A 11 5.502 1.627 3.337 1.00 0.00 C ATOM 54 O LEU A 11 6.440 2.022 4.030 1.00 0.00 O ATOM 55 CB LEU A 11 5.477 -0.797 2.724 1.00 0.00 C ATOM 56 CG LEU A 11 7.006 -0.905 2.798 1.00 0.00 C ATOM 57 CD1 LEU A 11 7.435 -1.038 4.253 1.00 0.00 C ATOM 58 CD2 LEU A 11 7.471 -2.099 1.979 1.00 0.00 C ATOM 0 H LEU A 11 3.091 -0.152 2.543 1.00 0.00 H new ATOM 0 HA LEU A 11 5.001 0.027 4.659 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.050 -1.762 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.195 -0.603 1.689 1.00 0.00 H new ATOM 0 HG LEU A 11 7.464 -0.006 2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.521 -1.115 4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.105 -0.162 4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.986 -1.933 4.684 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.557 -2.176 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.023 -3.010 2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.166 -1.969 0.941 1.00 0.00 H new ATOM 70 N GLN A 12 5.006 2.327 2.322 1.00 0.00 N ATOM 71 CA GLN A 12 5.541 3.634 1.960 1.00 0.00 C ATOM 72 C GLN A 12 5.477 4.601 3.136 1.00 0.00 C ATOM 73 O GLN A 12 6.458 5.275 3.451 1.00 0.00 O ATOM 74 CB GLN A 12 4.777 4.214 0.766 1.00 0.00 C ATOM 75 CG GLN A 12 5.134 3.579 -0.567 1.00 0.00 C ATOM 76 CD GLN A 12 4.358 4.185 -1.722 1.00 0.00 C ATOM 77 OE1 GLN A 12 3.432 4.975 -1.519 1.00 0.00 O ATOM 78 NE2 GLN A 12 4.731 3.816 -2.942 1.00 0.00 N ATOM 0 H GLN A 12 4.234 2.011 1.735 1.00 0.00 H new ATOM 0 HA GLN A 12 6.587 3.499 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 12 3.708 4.093 0.939 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.971 5.285 0.710 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.202 3.698 -0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.935 2.508 -0.521 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.503 3.160 -3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.246 4.189 -3.758 1.00 0.00 H new ATOM 87 N GLU A 13 4.318 4.663 3.782 1.00 0.00 N ATOM 88 CA GLU A 13 4.122 5.552 4.921 1.00 0.00 C ATOM 89 C GLU A 13 5.111 5.244 6.038 1.00 0.00 C ATOM 90 O GLU A 13 5.680 6.151 6.645 1.00 0.00 O ATOM 91 CB GLU A 13 2.691 5.437 5.448 1.00 0.00 C ATOM 92 CG GLU A 13 1.633 6.041 4.535 1.00 0.00 C ATOM 93 CD GLU A 13 0.232 5.796 5.021 1.00 0.00 C ATOM 94 OE1 GLU A 13 0.075 5.113 6.004 1.00 0.00 O ATOM 95 OE2 GLU A 13 -0.683 6.293 4.407 1.00 0.00 O1- ATOM 0 H GLU A 13 3.499 4.107 3.536 1.00 0.00 H new ATOM 0 HA GLU A 13 4.297 6.572 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.459 4.384 5.606 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.635 5.925 6.421 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.801 7.115 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.743 5.624 3.534 1.00 0.00 H new ATOM 102 N MET A 14 5.313 3.957 6.304 1.00 0.00 N ATOM 103 CA MET A 14 6.284 3.525 7.302 1.00 0.00 C ATOM 104 C MET A 14 7.689 3.993 6.943 1.00 0.00 C ATOM 105 O MET A 14 8.365 4.632 7.750 1.00 0.00 O ATOM 106 CB MET A 14 6.250 2.005 7.446 1.00 0.00 C ATOM 107 CG MET A 14 7.227 1.448 8.472 1.00 0.00 C ATOM 108 SD MET A 14 6.905 2.054 10.140 1.00 0.00 S ATOM 109 CE MET A 14 5.584 0.957 10.649 1.00 0.00 C ATOM 0 H MET A 14 4.817 3.195 5.842 1.00 0.00 H new ATOM 0 HA MET A 14 6.014 3.978 8.256 1.00 0.00 H new ATOM 0 HB2 MET A 14 5.240 1.701 7.722 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.465 1.556 6.476 1.00 0.00 H new ATOM 0 HG2 MET A 14 7.170 0.359 8.468 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.243 1.715 8.183 1.00 0.00 H new ATOM 0 HE1 MET A 14 5.658 0.771 11.720 1.00 0.00 H new ATOM 0 HE2 MET A 14 4.622 1.419 10.427 1.00 0.00 H new ATOM 0 HE3 MET A 14 5.667 0.013 10.110 1.00 0.00 H new ATOM 119 N CYS A 15 8.122 3.672 5.729 1.00 0.00 N ATOM 120 CA CYS A 15 9.495 3.933 5.312 1.00 0.00 C ATOM 121 C CYS A 15 9.774 5.429 5.242 1.00 0.00 C ATOM 122 O CYS A 15 10.921 5.862 5.357 1.00 0.00 O ATOM 123 CB CYS A 15 9.771 3.304 3.946 1.00 0.00 C ATOM 124 SG CYS A 15 9.024 4.193 2.559 1.00 0.00 S ATOM 0 H CYS A 15 7.542 3.230 5.016 1.00 0.00 H new ATOM 0 HA CYS A 15 10.154 3.486 6.057 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.849 3.253 3.793 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.400 2.279 3.948 1.00 0.00 H new ATOM 0 HG CYS A 15 8.098 4.990 3.003 1.00 0.00 H new ATOM 130 N MET A 16 8.719 6.214 5.054 1.00 0.00 N ATOM 131 CA MET A 16 8.816 7.666 5.158 1.00 0.00 C ATOM 132 C MET A 16 9.117 8.097 6.587 1.00 0.00 C ATOM 133 O MET A 16 10.019 8.899 6.827 1.00 0.00 O ATOM 134 CB MET A 16 7.526 8.317 4.664 1.00 0.00 C ATOM 135 CG MET A 16 7.329 8.259 3.156 1.00 0.00 C ATOM 136 SD MET A 16 5.687 8.809 2.648 1.00 0.00 S ATOM 137 CE MET A 16 5.798 10.563 2.988 1.00 0.00 C ATOM 0 H MET A 16 7.786 5.869 4.829 1.00 0.00 H new ATOM 0 HA MET A 16 9.642 7.997 4.529 1.00 0.00 H new ATOM 0 HB2 MET A 16 6.679 7.830 5.148 1.00 0.00 H new ATOM 0 HB3 MET A 16 7.516 9.360 4.979 1.00 0.00 H new ATOM 0 HG2 MET A 16 8.082 8.880 2.671 1.00 0.00 H new ATOM 0 HG3 MET A 16 7.488 7.237 2.812 1.00 0.00 H new ATOM 0 HE1 MET A 16 4.923 11.069 2.580 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.840 10.723 4.065 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.699 10.967 2.526 1.00 0.00 H new ATOM 147 N GLN A 17 8.355 7.560 7.535 1.00 0.00 N ATOM 148 CA GLN A 17 8.569 7.851 8.947 1.00 0.00 C ATOM 149 C GLN A 17 9.922 7.333 9.418 1.00 0.00 C ATOM 150 O GLN A 17 10.526 7.890 10.335 1.00 0.00 O ATOM 151 CB GLN A 17 7.451 7.240 9.796 1.00 0.00 C ATOM 152 CG GLN A 17 6.096 7.901 9.611 1.00 0.00 C ATOM 153 CD GLN A 17 5.004 7.216 10.410 1.00 0.00 C ATOM 154 OE1 GLN A 17 5.252 6.228 11.106 1.00 0.00 O ATOM 155 NE2 GLN A 17 3.786 7.738 10.314 1.00 0.00 N ATOM 0 H GLN A 17 7.583 6.920 7.350 1.00 0.00 H new ATOM 0 HA GLN A 17 8.556 8.934 9.068 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.362 6.181 9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 17 7.733 7.303 10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.161 8.947 9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.831 7.889 8.554 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.627 8.556 9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.010 7.321 10.828 1.00 0.00 H new ATOM 164 N ARG A 18 10.394 6.265 8.784 1.00 0.00 N ATOM 165 CA ARG A 18 11.646 5.631 9.180 1.00 0.00 C ATOM 166 C ARG A 18 12.823 6.200 8.398 1.00 0.00 C ATOM 167 O ARG A 18 13.980 5.904 8.696 1.00 0.00 O ATOM 168 CB ARG A 18 11.576 4.126 8.961 1.00 0.00 C ATOM 169 CG ARG A 18 10.544 3.404 9.812 1.00 0.00 C ATOM 170 CD ARG A 18 10.822 3.558 11.262 1.00 0.00 C ATOM 171 NE ARG A 18 9.807 2.914 12.081 1.00 0.00 N ATOM 172 CZ ARG A 18 9.783 1.599 12.375 1.00 0.00 C ATOM 173 NH1 ARG A 18 10.722 0.804 11.910 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 8.815 1.108 13.129 1.00 0.00 N ATOM 0 H ARG A 18 9.928 5.820 7.993 1.00 0.00 H new ATOM 0 HA ARG A 18 11.797 5.837 10.240 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.357 3.936 7.910 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.557 3.698 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.551 3.794 9.589 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.536 2.345 9.554 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.798 3.131 11.492 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.871 4.618 11.512 1.00 0.00 H new ATOM 0 HE ARG A 18 9.061 3.498 12.459 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.468 1.183 11.327 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.704 -0.191 12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 18 8.086 1.724 13.488 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.797 0.113 13.351 1.00 0.00 H new ATOM 188 N ARG A 19 12.521 7.020 7.397 1.00 0.00 N ATOM 189 CA ARG A 19 13.550 7.582 6.531 1.00 0.00 C ATOM 190 C ARG A 19 14.369 6.485 5.864 1.00 0.00 C ATOM 191 O ARG A 19 15.594 6.571 5.787 1.00 0.00 O ATOM 192 CB ARG A 19 14.477 8.493 7.322 1.00 0.00 C ATOM 193 CG ARG A 19 13.807 9.716 7.929 1.00 0.00 C ATOM 194 CD ARG A 19 14.791 10.608 8.594 1.00 0.00 C ATOM 195 NE ARG A 19 14.141 11.670 9.344 1.00 0.00 N ATOM 196 CZ ARG A 19 14.790 12.626 10.036 1.00 0.00 C ATOM 197 NH1 ARG A 19 16.104 12.640 10.063 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 14.106 13.550 10.688 1.00 0.00 N ATOM 0 H ARG A 19 11.571 7.310 7.166 1.00 0.00 H new ATOM 0 HA ARG A 19 13.046 8.162 5.758 1.00 0.00 H new ATOM 0 HB2 ARG A 19 14.936 7.913 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 19 15.282 8.825 6.667 1.00 0.00 H new ATOM 0 HG2 ARG A 19 13.284 10.269 7.149 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.057 9.398 8.653 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.417 10.021 9.265 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.450 11.045 7.844 1.00 0.00 H new ATOM 0 HE ARG A 19 13.121 11.693 9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 19 16.632 11.927 9.560 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.596 13.364 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 19 13.086 13.539 10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 19 14.598 14.274 11.212 1.00 0.00 H new ATOM 212 N TRP A 20 13.684 5.453 5.382 1.00 0.00 N ATOM 213 CA TRP A 20 14.347 4.339 4.713 1.00 0.00 C ATOM 214 C TRP A 20 14.250 4.469 3.199 1.00 0.00 C ATOM 215 O TRP A 20 13.400 5.194 2.682 1.00 0.00 O ATOM 216 CB TRP A 20 13.732 3.010 5.156 1.00 0.00 C ATOM 217 CG TRP A 20 14.116 2.607 6.548 1.00 0.00 C ATOM 218 CD1 TRP A 20 14.944 3.283 7.393 1.00 0.00 C ATOM 219 CD2 TRP A 20 13.684 1.427 7.268 1.00 0.00 C ATOM 220 NE1 TRP A 20 15.059 2.608 8.583 1.00 0.00 N ATOM 221 CE2 TRP A 20 14.293 1.471 8.525 1.00 0.00 C ATOM 222 CE3 TRP A 20 12.842 0.354 6.951 1.00 0.00 C ATOM 223 CZ2 TRP A 20 14.092 0.480 9.472 1.00 0.00 C ATOM 224 CZ3 TRP A 20 12.638 -0.639 7.902 1.00 0.00 C ATOM 225 CH2 TRP A 20 13.247 -0.576 9.130 1.00 0.00 C ATOM 0 H TRP A 20 12.670 5.365 5.442 1.00 0.00 H new ATOM 0 HA TRP A 20 15.400 4.361 4.995 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.646 3.083 5.094 1.00 0.00 H new ATOM 0 HB3 TRP A 20 14.039 2.228 4.462 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.438 4.215 7.160 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.622 2.904 9.380 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.360 0.299 5.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 14.571 0.523 10.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.991 -1.472 7.671 1.00 0.00 H new ATOM 0 HH2 TRP A 20 13.068 -1.362 9.848 1.00 0.00 H new ATOM 236 N PRO A 21 15.124 3.761 2.492 1.00 0.00 N ATOM 237 CA PRO A 21 15.093 3.739 1.035 1.00 0.00 C ATOM 238 C PRO A 21 13.715 3.345 0.519 1.00 0.00 C ATOM 239 O PRO A 21 12.950 2.675 1.213 1.00 0.00 O ATOM 240 CB PRO A 21 16.150 2.688 0.683 1.00 0.00 C ATOM 241 CG PRO A 21 17.097 2.723 1.833 1.00 0.00 C ATOM 242 CD PRO A 21 16.218 2.935 3.036 1.00 0.00 C ATOM 0 HA PRO A 21 15.295 4.711 0.584 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.705 1.700 0.563 1.00 0.00 H new ATOM 0 HB3 PRO A 21 16.653 2.927 -0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.661 1.793 1.912 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.824 3.528 1.725 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.851 1.992 3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.748 3.443 3.841 1.00 0.00 H new ATOM 250 N PRO A 22 13.404 3.764 -0.703 1.00 0.00 N ATOM 251 CA PRO A 22 12.125 3.436 -1.323 1.00 0.00 C ATOM 252 C PRO A 22 11.863 1.936 -1.284 1.00 0.00 C ATOM 253 O PRO A 22 12.761 1.132 -1.539 1.00 0.00 O ATOM 254 CB PRO A 22 12.298 3.942 -2.758 1.00 0.00 C ATOM 255 CG PRO A 22 13.256 5.077 -2.632 1.00 0.00 C ATOM 256 CD PRO A 22 14.232 4.629 -1.578 1.00 0.00 C ATOM 0 HA PRO A 22 11.271 3.884 -0.815 1.00 0.00 H new ATOM 0 HB2 PRO A 22 12.689 3.162 -3.411 1.00 0.00 H new ATOM 0 HB3 PRO A 22 11.348 4.267 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 22 13.758 5.280 -3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 22 12.748 5.995 -2.338 1.00 0.00 H new ATOM 0 HD2 PRO A 22 15.070 4.082 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.651 5.473 -1.031 1.00 0.00 H new ATOM 264 N PRO A 23 10.628 1.564 -0.965 1.00 0.00 N ATOM 265 CA PRO A 23 10.250 0.158 -0.876 1.00 0.00 C ATOM 266 C PRO A 23 10.039 -0.444 -2.259 1.00 0.00 C ATOM 267 O PRO A 23 9.880 0.278 -3.243 1.00 0.00 O ATOM 268 CB PRO A 23 8.946 0.203 -0.074 1.00 0.00 C ATOM 269 CG PRO A 23 8.333 1.510 -0.445 1.00 0.00 C ATOM 270 CD PRO A 23 9.502 2.451 -0.566 1.00 0.00 C ATOM 0 HA PRO A 23 11.013 -0.466 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 23 8.292 -0.631 -0.330 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.135 0.142 0.998 1.00 0.00 H new ATOM 0 HG2 PRO A 23 7.782 1.438 -1.383 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.628 1.848 0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 23 9.318 3.225 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.707 2.959 0.377 1.00 0.00 H new ATOM 278 N SER A 24 10.039 -1.771 -2.327 1.00 0.00 N ATOM 279 CA SER A 24 9.818 -2.473 -3.586 1.00 0.00 C ATOM 280 C SER A 24 8.745 -3.544 -3.437 1.00 0.00 C ATOM 281 O SER A 24 8.399 -3.941 -2.324 1.00 0.00 O ATOM 282 CB SER A 24 11.110 -3.103 -4.066 1.00 0.00 C ATOM 283 OG SER A 24 12.089 -2.127 -4.296 1.00 0.00 O ATOM 0 H SER A 24 10.190 -2.382 -1.525 1.00 0.00 H new ATOM 0 HA SER A 24 9.476 -1.745 -4.322 1.00 0.00 H new ATOM 0 HB2 SER A 24 11.469 -3.816 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.927 -3.663 -4.983 1.00 0.00 H new ATOM 0 HG SER A 24 12.914 -2.557 -4.603 1.00 0.00 H new ATOM 289 N TYR A 25 8.220 -4.009 -4.566 1.00 0.00 N ATOM 290 CA TYR A 25 7.219 -5.069 -4.566 1.00 0.00 C ATOM 291 C TYR A 25 7.215 -5.824 -5.889 1.00 0.00 C ATOM 292 O TYR A 25 7.731 -5.336 -6.895 1.00 0.00 O ATOM 293 CB TYR A 25 5.830 -4.493 -4.280 1.00 0.00 C ATOM 294 CG TYR A 25 5.352 -3.507 -5.323 1.00 0.00 C ATOM 295 CD1 TYR A 25 4.601 -3.949 -6.403 1.00 0.00 C ATOM 296 CD2 TYR A 25 5.664 -2.161 -5.199 1.00 0.00 C ATOM 297 CE1 TYR A 25 4.165 -3.048 -7.355 1.00 0.00 C ATOM 298 CE2 TYR A 25 5.227 -1.261 -6.151 1.00 0.00 C ATOM 299 CZ TYR A 25 4.481 -1.700 -7.226 1.00 0.00 C ATOM 300 OH TYR A 25 4.046 -0.803 -8.174 1.00 0.00 O ATOM 0 H TYR A 25 8.472 -3.668 -5.494 1.00 0.00 H new ATOM 0 HA TYR A 25 7.478 -5.774 -3.776 1.00 0.00 H new ATOM 0 HB2 TYR A 25 5.114 -5.312 -4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.844 -4.001 -3.308 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.358 -4.997 -6.499 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.248 -1.817 -4.358 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.581 -3.389 -8.197 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.469 -0.213 -6.054 1.00 0.00 H new ATOM 0 HH TYR A 25 4.350 0.098 -7.936 1.00 0.00 H new ATOM 310 N GLU A 26 6.632 -7.018 -5.882 1.00 0.00 N ATOM 311 CA GLU A 26 6.599 -7.862 -7.070 1.00 0.00 C ATOM 312 C GLU A 26 5.300 -8.652 -7.149 1.00 0.00 C ATOM 313 O GLU A 26 4.704 -8.989 -6.126 1.00 0.00 O ATOM 314 CB GLU A 26 7.792 -8.821 -7.075 1.00 0.00 C ATOM 315 CG GLU A 26 7.804 -9.816 -5.924 1.00 0.00 C ATOM 316 CD GLU A 26 9.039 -10.673 -5.904 1.00 0.00 C ATOM 317 OE1 GLU A 26 9.871 -10.502 -6.762 1.00 0.00 O ATOM 318 OE2 GLU A 26 9.150 -11.499 -5.029 1.00 0.00 O1- ATOM 0 H GLU A 26 6.175 -7.423 -5.065 1.00 0.00 H new ATOM 0 HA GLU A 26 6.658 -7.211 -7.943 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.796 -9.372 -8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.712 -8.237 -7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.729 -9.274 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.925 -10.456 -5.995 1.00 0.00 H new ATOM 325 N THR A 27 4.865 -8.946 -8.370 1.00 0.00 N ATOM 326 CA THR A 27 3.631 -9.691 -8.585 1.00 0.00 C ATOM 327 C THR A 27 3.917 -11.089 -9.119 1.00 0.00 C ATOM 328 O THR A 27 4.664 -11.254 -10.084 1.00 0.00 O ATOM 329 CB THR A 27 2.696 -8.948 -9.557 1.00 0.00 C ATOM 330 OG1 THR A 27 2.357 -7.666 -9.012 1.00 0.00 O ATOM 331 CG2 THR A 27 1.423 -9.748 -9.790 1.00 0.00 C ATOM 0 H THR A 27 5.350 -8.679 -9.227 1.00 0.00 H new ATOM 0 HA THR A 27 3.136 -9.779 -7.618 1.00 0.00 H new ATOM 0 HB THR A 27 3.213 -8.821 -10.508 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.763 -7.193 -9.632 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.775 -9.207 -10.479 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.676 -10.719 -10.216 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.905 -9.892 -8.842 1.00 0.00 H new ATOM 339 N GLU A 28 3.320 -12.093 -8.486 1.00 0.00 N ATOM 340 CA GLU A 28 3.528 -13.480 -8.882 1.00 0.00 C ATOM 341 C GLU A 28 2.527 -13.906 -9.948 1.00 0.00 C ATOM 342 O GLU A 28 1.570 -13.187 -10.236 1.00 0.00 O ATOM 343 CB GLU A 28 3.417 -14.404 -7.666 1.00 0.00 C ATOM 344 CG GLU A 28 4.482 -14.174 -6.603 1.00 0.00 C ATOM 345 CD GLU A 28 4.468 -15.222 -5.525 1.00 0.00 C ATOM 346 OE1 GLU A 28 3.592 -16.053 -5.542 1.00 0.00 O ATOM 347 OE2 GLU A 28 5.333 -15.190 -4.682 1.00 0.00 O1- ATOM 0 H GLU A 28 2.687 -11.971 -7.695 1.00 0.00 H new ATOM 0 HA GLU A 28 4.531 -13.559 -9.303 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.434 -14.272 -7.213 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.476 -15.439 -8.004 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.464 -14.160 -7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.332 -13.193 -6.151 1.00 0.00 H new ATOM 354 N THR A 29 2.752 -15.079 -10.530 1.00 0.00 N ATOM 355 CA THR A 29 1.897 -15.581 -11.598 1.00 0.00 C ATOM 356 C THR A 29 0.471 -15.794 -11.108 1.00 0.00 C ATOM 357 O THR A 29 0.251 -16.330 -10.021 1.00 0.00 O ATOM 358 CB THR A 29 2.447 -16.898 -12.177 1.00 0.00 C ATOM 359 OG1 THR A 29 3.775 -16.686 -12.675 1.00 0.00 O ATOM 360 CG2 THR A 29 1.559 -17.397 -13.306 1.00 0.00 C ATOM 0 H THR A 29 3.521 -15.700 -10.279 1.00 0.00 H new ATOM 0 HA THR A 29 1.888 -14.827 -12.385 1.00 0.00 H new ATOM 0 HB THR A 29 2.464 -17.647 -11.385 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.125 -17.525 -13.042 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.963 -18.328 -13.703 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.552 -17.571 -12.927 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.524 -16.650 -14.099 1.00 0.00 H new ATOM 368 N GLU A 30 -0.497 -15.371 -11.915 1.00 0.00 N ATOM 369 CA GLU A 30 -1.904 -15.597 -11.608 1.00 0.00 C ATOM 370 C GLU A 30 -2.198 -17.082 -11.434 1.00 0.00 C ATOM 371 O GLU A 30 -1.764 -17.909 -12.235 1.00 0.00 O ATOM 372 CB GLU A 30 -2.790 -15.018 -12.712 1.00 0.00 C ATOM 373 CG GLU A 30 -4.283 -15.219 -12.491 1.00 0.00 C ATOM 374 CD GLU A 30 -5.121 -14.646 -13.600 1.00 0.00 C ATOM 375 OE1 GLU A 30 -4.569 -14.027 -14.477 1.00 0.00 O ATOM 376 OE2 GLU A 30 -6.316 -14.829 -13.570 1.00 0.00 O1- ATOM 0 H GLU A 30 -0.332 -14.869 -12.788 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.126 -15.091 -10.668 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.589 -13.950 -12.800 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.511 -15.474 -13.662 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.491 -16.285 -12.399 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.571 -14.755 -11.548 1.00 0.00 H new ATOM 383 N VAL A 31 -2.939 -17.413 -10.381 1.00 0.00 N ATOM 384 CA VAL A 31 -3.228 -18.805 -10.056 1.00 0.00 C ATOM 385 C VAL A 31 -4.679 -18.980 -9.627 1.00 0.00 C ATOM 386 O VAL A 31 -4.958 -19.419 -8.511 1.00 0.00 O ATOM 387 CB VAL A 31 -2.299 -19.293 -8.928 1.00 0.00 C ATOM 388 CG1 VAL A 31 -0.889 -19.509 -9.455 1.00 0.00 C ATOM 389 CG2 VAL A 31 -2.300 -18.289 -7.785 1.00 0.00 C ATOM 0 H VAL A 31 -3.350 -16.736 -9.738 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.056 -19.399 -10.954 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.669 -20.247 -8.554 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.247 -19.854 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.907 -20.258 -10.247 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.501 -18.571 -9.852 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.641 -18.641 -6.991 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.947 -17.324 -8.148 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.312 -18.182 -7.395 1.00 0.00 H new ATOM 399 N GLY A 32 -5.600 -18.635 -10.520 1.00 0.00 N ATOM 400 CA GLY A 32 -7.025 -18.751 -10.234 1.00 0.00 C ATOM 401 C GLY A 32 -7.803 -19.171 -11.474 1.00 0.00 C ATOM 402 O GLY A 32 -7.225 -19.654 -12.447 1.00 0.00 O ATOM 0 H GLY A 32 -5.385 -18.272 -11.449 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.181 -19.480 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.404 -17.796 -9.869 1.00 0.00 H new ATOM 406 N LEU A 33 -9.118 -18.983 -11.434 1.00 0.00 N ATOM 407 CA LEU A 33 -9.986 -19.397 -12.530 1.00 0.00 C ATOM 408 C LEU A 33 -10.583 -18.192 -13.246 1.00 0.00 C ATOM 409 O LEU A 33 -10.620 -17.090 -12.700 1.00 0.00 O ATOM 410 CB LEU A 33 -11.111 -20.296 -12.004 1.00 0.00 C ATOM 411 CG LEU A 33 -10.661 -21.571 -11.278 1.00 0.00 C ATOM 412 CD1 LEU A 33 -11.878 -22.298 -10.723 1.00 0.00 C ATOM 413 CD2 LEU A 33 -9.887 -22.458 -12.243 1.00 0.00 C ATOM 0 H LEU A 33 -9.607 -18.546 -10.653 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.380 -19.955 -13.244 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.730 -19.711 -11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -11.744 -20.583 -12.843 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.006 -21.314 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.557 -23.203 -10.208 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -12.402 -21.648 -10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.547 -22.564 -11.541 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -9.567 -23.364 -11.728 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.527 -22.726 -13.084 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.012 -21.921 -12.609 1.00 0.00 H new ATOM 425 N PRO A 34 -11.049 -18.410 -14.471 1.00 0.00 N ATOM 426 CA PRO A 34 -11.622 -17.336 -15.274 1.00 0.00 C ATOM 427 C PRO A 34 -12.731 -16.616 -14.518 1.00 0.00 C ATOM 428 O PRO A 34 -12.859 -15.394 -14.601 1.00 0.00 O ATOM 429 CB PRO A 34 -12.163 -18.076 -16.501 1.00 0.00 C ATOM 430 CG PRO A 34 -11.258 -19.251 -16.649 1.00 0.00 C ATOM 431 CD PRO A 34 -10.977 -19.687 -15.235 1.00 0.00 C ATOM 0 HA PRO A 34 -10.904 -16.557 -15.530 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.198 -18.386 -16.355 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -12.143 -17.443 -17.388 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.731 -20.047 -17.224 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -10.340 -18.982 -17.172 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.712 -20.411 -14.882 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.998 -20.157 -15.144 1.00 0.00 H new ATOM 439 N HIS A 35 -13.532 -17.379 -13.782 1.00 0.00 N ATOM 440 CA HIS A 35 -14.663 -16.821 -13.051 1.00 0.00 C ATOM 441 C HIS A 35 -14.267 -16.440 -11.630 1.00 0.00 C ATOM 442 O HIS A 35 -15.029 -15.787 -10.917 1.00 0.00 O ATOM 443 CB HIS A 35 -15.827 -17.816 -13.013 1.00 0.00 C ATOM 444 CG HIS A 35 -15.469 -19.139 -12.410 1.00 0.00 C ATOM 445 ND1 HIS A 35 -15.372 -19.333 -11.048 1.00 0.00 N ATOM 446 CD2 HIS A 35 -15.183 -20.332 -12.982 1.00 0.00 C ATOM 447 CE1 HIS A 35 -15.043 -20.591 -10.809 1.00 0.00 C ATOM 448 NE2 HIS A 35 -14.922 -21.217 -11.965 1.00 0.00 N ATOM 0 H HIS A 35 -13.418 -18.387 -13.676 1.00 0.00 H new ATOM 0 HA HIS A 35 -14.981 -15.920 -13.576 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -16.649 -17.379 -12.446 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -16.190 -17.976 -14.028 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.164 -20.547 -14.040 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -14.898 -21.032 -9.834 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -14.675 -22.199 -12.084 1.00 0.00 H new ATOM 455 N GLU A 36 -13.071 -16.852 -11.224 1.00 0.00 N ATOM 456 CA GLU A 36 -12.587 -16.586 -9.875 1.00 0.00 C ATOM 457 C GLU A 36 -11.069 -16.455 -9.850 1.00 0.00 C ATOM 458 O GLU A 36 -10.369 -17.334 -9.347 1.00 0.00 O ATOM 459 CB GLU A 36 -13.028 -17.698 -8.920 1.00 0.00 C ATOM 460 CG GLU A 36 -12.774 -17.401 -7.449 1.00 0.00 C ATOM 461 CD GLU A 36 -13.204 -18.521 -6.544 1.00 0.00 C ATOM 462 OE1 GLU A 36 -13.618 -19.539 -7.045 1.00 0.00 O ATOM 463 OE2 GLU A 36 -13.120 -18.359 -5.349 1.00 0.00 O1- ATOM 0 H GLU A 36 -12.419 -17.372 -11.811 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.019 -15.640 -9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.093 -17.881 -9.062 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.508 -18.618 -9.188 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.712 -17.208 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.305 -16.491 -7.170 1.00 0.00 H new ATOM 470 N ARG A 37 -10.566 -15.353 -10.397 1.00 0.00 N ATOM 471 CA ARG A 37 -9.129 -15.153 -10.533 1.00 0.00 C ATOM 472 C ARG A 37 -8.471 -14.947 -9.175 1.00 0.00 C ATOM 473 O ARG A 37 -9.057 -14.346 -8.274 1.00 0.00 O ATOM 474 CB ARG A 37 -8.837 -13.952 -11.421 1.00 0.00 C ATOM 475 CG ARG A 37 -9.312 -14.091 -12.859 1.00 0.00 C ATOM 476 CD ARG A 37 -8.965 -12.895 -13.669 1.00 0.00 C ATOM 477 NE ARG A 37 -9.681 -11.711 -13.223 1.00 0.00 N ATOM 478 CZ ARG A 37 -9.406 -10.454 -13.624 1.00 0.00 C ATOM 479 NH1 ARG A 37 -8.431 -10.236 -14.479 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -10.116 -9.442 -13.159 1.00 0.00 N ATOM 0 H ARG A 37 -11.134 -14.584 -10.754 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.716 -16.051 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.305 -13.071 -10.982 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.762 -13.773 -11.424 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.862 -14.977 -13.307 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.392 -14.240 -12.873 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.892 -12.714 -13.608 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.197 -13.086 -14.717 1.00 0.00 H new ATOM 0 HE ARG A 37 -10.445 -11.841 -12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.883 -11.018 -14.838 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.222 -9.285 -14.783 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -10.873 -9.612 -12.496 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.908 -8.491 -13.463 1.00 0.00 H new ATOM 494 N LEU A 38 -7.249 -15.449 -9.033 1.00 0.00 N ATOM 495 CA LEU A 38 -6.500 -15.302 -7.790 1.00 0.00 C ATOM 496 C LEU A 38 -5.096 -14.772 -8.053 1.00 0.00 C ATOM 497 O LEU A 38 -4.413 -15.224 -8.972 1.00 0.00 O ATOM 498 CB LEU A 38 -6.416 -16.648 -7.060 1.00 0.00 C ATOM 499 CG LEU A 38 -7.758 -17.257 -6.632 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.531 -18.671 -6.112 1.00 0.00 C ATOM 501 CD2 LEU A 38 -8.398 -16.379 -5.568 1.00 0.00 C ATOM 0 H LEU A 38 -6.756 -15.962 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.028 -14.583 -7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.905 -17.360 -7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.796 -16.521 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.433 -17.309 -7.486 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.484 -19.104 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.090 -19.282 -6.900 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.857 -18.640 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.351 -16.812 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.737 -16.314 -4.704 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.565 -15.381 -5.972 1.00 0.00 H new ATOM 513 N PHE A 39 -4.670 -13.811 -7.241 1.00 0.00 N ATOM 514 CA PHE A 39 -3.387 -13.149 -7.443 1.00 0.00 C ATOM 515 C PHE A 39 -2.570 -13.127 -6.157 1.00 0.00 C ATOM 516 O PHE A 39 -3.124 -13.082 -5.059 1.00 0.00 O ATOM 517 CB PHE A 39 -3.596 -11.720 -7.945 1.00 0.00 C ATOM 518 CG PHE A 39 -4.394 -11.634 -9.215 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.763 -11.416 -9.178 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.778 -11.773 -10.450 1.00 0.00 C ATOM 521 CE1 PHE A 39 -6.498 -11.338 -10.346 1.00 0.00 C ATOM 522 CE2 PHE A 39 -4.510 -11.693 -11.618 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.872 -11.476 -11.566 1.00 0.00 C ATOM 0 H PHE A 39 -5.196 -13.473 -6.435 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.836 -13.716 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.101 -11.143 -7.170 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.623 -11.255 -8.106 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.261 -11.306 -8.226 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.713 -11.946 -10.499 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.564 -11.169 -10.303 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.017 -11.800 -12.573 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.446 -11.415 -12.479 1.00 0.00 H new ATOM 533 N THR A 40 -1.249 -13.158 -6.301 1.00 0.00 N ATOM 534 CA THR A 40 -0.352 -13.079 -5.154 1.00 0.00 C ATOM 535 C THR A 40 0.723 -12.021 -5.368 1.00 0.00 C ATOM 536 O THR A 40 1.384 -11.995 -6.406 1.00 0.00 O ATOM 537 CB THR A 40 0.311 -14.440 -4.874 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.700 -15.426 -4.627 1.00 0.00 O ATOM 539 CG2 THR A 40 1.229 -14.347 -3.665 1.00 0.00 C ATOM 0 H THR A 40 -0.776 -13.237 -7.201 1.00 0.00 H new ATOM 0 HA THR A 40 -0.955 -12.797 -4.291 1.00 0.00 H new ATOM 0 HB THR A 40 0.901 -14.725 -5.745 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.276 -16.292 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.689 -15.318 -3.482 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.007 -13.607 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.650 -14.049 -2.791 1.00 0.00 H new ATOM 547 N ILE A 41 0.892 -11.149 -4.380 1.00 0.00 N ATOM 548 CA ILE A 41 1.846 -10.051 -4.482 1.00 0.00 C ATOM 549 C ILE A 41 2.661 -9.909 -3.204 1.00 0.00 C ATOM 550 O ILE A 41 2.137 -10.066 -2.101 1.00 0.00 O ATOM 551 CB ILE A 41 1.125 -8.724 -4.783 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.457 -8.778 -6.159 1.00 0.00 C ATOM 553 CG2 ILE A 41 2.102 -7.560 -4.707 1.00 0.00 C ATOM 554 CD1 ILE A 41 -0.306 -7.524 -6.517 1.00 0.00 C ATOM 0 H ILE A 41 0.380 -11.181 -3.498 1.00 0.00 H new ATOM 0 HA ILE A 41 2.522 -10.284 -5.304 1.00 0.00 H new ATOM 0 HB ILE A 41 0.350 -8.572 -4.031 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.221 -8.956 -6.916 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.225 -9.628 -6.188 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.577 -6.629 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.532 -7.511 -3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.898 -7.705 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.751 -7.638 -7.506 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.093 -7.355 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.375 -6.673 -6.522 1.00 0.00 H new ATOM 566 N ALA A 42 3.947 -9.610 -3.358 1.00 0.00 N ATOM 567 CA ALA A 42 4.846 -9.485 -2.217 1.00 0.00 C ATOM 568 C ALA A 42 5.493 -8.106 -2.174 1.00 0.00 C ATOM 569 O ALA A 42 5.699 -7.474 -3.209 1.00 0.00 O ATOM 570 CB ALA A 42 5.914 -10.568 -2.264 1.00 0.00 C ATOM 0 H ALA A 42 4.390 -9.450 -4.263 1.00 0.00 H new ATOM 0 HA ALA A 42 4.256 -9.609 -1.309 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.578 -10.462 -1.406 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.439 -11.549 -2.236 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.491 -10.470 -3.183 1.00 0.00 H new ATOM 576 N CYS A 43 5.810 -7.645 -0.969 1.00 0.00 N ATOM 577 CA CYS A 43 6.510 -6.379 -0.793 1.00 0.00 C ATOM 578 C CYS A 43 7.715 -6.538 0.126 1.00 0.00 C ATOM 579 O CYS A 43 7.725 -7.394 1.010 1.00 0.00 O ATOM 580 CB CYS A 43 5.570 -5.321 -0.214 1.00 0.00 C ATOM 581 SG CYS A 43 4.139 -4.953 -1.258 1.00 0.00 S ATOM 0 H CYS A 43 5.593 -8.130 -0.099 1.00 0.00 H new ATOM 0 HA CYS A 43 6.857 -6.058 -1.775 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.218 -5.658 0.761 1.00 0.00 H new ATOM 0 HB3 CYS A 43 6.132 -4.402 -0.050 1.00 0.00 H new ATOM 0 HG CYS A 43 3.403 -4.049 -0.683 1.00 0.00 H new ATOM 587 N SER A 44 8.730 -5.707 -0.089 1.00 0.00 N ATOM 588 CA SER A 44 10.000 -5.853 0.611 1.00 0.00 C ATOM 589 C SER A 44 10.657 -4.500 0.848 1.00 0.00 C ATOM 590 O SER A 44 10.393 -3.536 0.128 1.00 0.00 O ATOM 591 CB SER A 44 10.934 -6.747 -0.182 1.00 0.00 C ATOM 592 OG SER A 44 11.299 -6.143 -1.392 1.00 0.00 O ATOM 0 H SER A 44 8.697 -4.925 -0.743 1.00 0.00 H new ATOM 0 HA SER A 44 9.799 -6.310 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.827 -6.960 0.406 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.448 -7.702 -0.380 1.00 0.00 H new ATOM 0 HG SER A 44 11.903 -6.737 -1.885 1.00 0.00 H new ATOM 598 N ILE A 45 11.515 -4.433 1.860 1.00 0.00 N ATOM 599 CA ILE A 45 12.361 -3.264 2.072 1.00 0.00 C ATOM 600 C ILE A 45 13.559 -3.603 2.949 1.00 0.00 C ATOM 601 O ILE A 45 13.407 -4.155 4.039 1.00 0.00 O ATOM 602 CB ILE A 45 11.561 -2.117 2.716 1.00 0.00 C ATOM 603 CG1 ILE A 45 12.384 -0.827 2.717 1.00 0.00 C ATOM 604 CG2 ILE A 45 11.145 -2.488 4.132 1.00 0.00 C ATOM 605 CD1 ILE A 45 11.589 0.405 3.086 1.00 0.00 C ATOM 0 H ILE A 45 11.643 -5.176 2.547 1.00 0.00 H new ATOM 0 HA ILE A 45 12.721 -2.943 1.095 1.00 0.00 H new ATOM 0 HB ILE A 45 10.660 -1.949 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 45 13.212 -0.936 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 45 12.819 -0.684 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.581 -1.666 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.523 -3.383 4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.033 -2.681 4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 45 12.241 1.278 3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.776 0.541 2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.176 0.285 4.087 1.00 0.00 H new ATOM 617 N LEU A 46 14.752 -3.270 2.467 1.00 0.00 N ATOM 618 CA LEU A 46 15.983 -3.592 3.178 1.00 0.00 C ATOM 619 C LEU A 46 16.045 -5.073 3.530 1.00 0.00 C ATOM 620 O LEU A 46 16.207 -5.923 2.655 1.00 0.00 O ATOM 621 CB LEU A 46 16.092 -2.751 4.456 1.00 0.00 C ATOM 622 CG LEU A 46 16.184 -1.234 4.249 1.00 0.00 C ATOM 623 CD1 LEU A 46 16.168 -0.534 5.601 1.00 0.00 C ATOM 624 CD2 LEU A 46 17.452 -0.903 3.477 1.00 0.00 C ATOM 0 H LEU A 46 14.892 -2.776 1.585 1.00 0.00 H new ATOM 0 HA LEU A 46 16.820 -3.360 2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.225 -2.962 5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.972 -3.078 5.010 1.00 0.00 H new ATOM 0 HG LEU A 46 15.328 -0.885 3.671 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.233 0.544 5.453 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.242 -0.773 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 46 17.017 -0.871 6.195 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.517 0.175 3.330 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.320 -1.246 4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.428 -1.401 2.508 1.00 0.00 H new ATOM 636 N ASN A 47 15.915 -5.376 4.817 1.00 0.00 N ATOM 637 CA ASN A 47 16.022 -6.749 5.296 1.00 0.00 C ATOM 638 C ASN A 47 14.662 -7.296 5.711 1.00 0.00 C ATOM 639 O ASN A 47 14.571 -8.168 6.574 1.00 0.00 O ATOM 640 CB ASN A 47 17.007 -6.837 6.448 1.00 0.00 C ATOM 641 CG ASN A 47 18.410 -6.488 6.036 1.00 0.00 C ATOM 642 OD1 ASN A 47 19.034 -7.204 5.243 1.00 0.00 O ATOM 643 ND2 ASN A 47 18.920 -5.402 6.558 1.00 0.00 N ATOM 0 H ASN A 47 15.735 -4.688 5.548 1.00 0.00 H new ATOM 0 HA ASN A 47 16.393 -7.362 4.475 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.689 -6.166 7.246 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.993 -7.847 6.857 1.00 0.00 H new ATOM 0 HD21 ASN A 47 19.868 -5.116 6.315 1.00 0.00 H new ATOM 0 HD22 ASN A 47 18.369 -4.841 7.208 1.00 0.00 H new ATOM 650 N TYR A 48 13.608 -6.778 5.090 1.00 0.00 N ATOM 651 CA TYR A 48 12.250 -7.211 5.396 1.00 0.00 C ATOM 652 C TYR A 48 11.503 -7.615 4.131 1.00 0.00 C ATOM 653 O TYR A 48 11.763 -7.087 3.050 1.00 0.00 O ATOM 654 CB TYR A 48 11.488 -6.107 6.132 1.00 0.00 C ATOM 655 CG TYR A 48 12.139 -5.677 7.428 1.00 0.00 C ATOM 656 CD1 TYR A 48 13.044 -4.626 7.434 1.00 0.00 C ATOM 657 CD2 TYR A 48 11.830 -6.332 8.611 1.00 0.00 C ATOM 658 CE1 TYR A 48 13.638 -4.233 8.618 1.00 0.00 C ATOM 659 CE2 TYR A 48 12.424 -5.939 9.794 1.00 0.00 C ATOM 660 CZ TYR A 48 13.325 -4.894 9.800 1.00 0.00 C ATOM 661 OH TYR A 48 13.917 -4.502 10.979 1.00 0.00 O ATOM 0 H TYR A 48 13.668 -6.057 4.371 1.00 0.00 H new ATOM 0 HA TYR A 48 12.316 -8.085 6.044 1.00 0.00 H new ATOM 0 HB2 TYR A 48 11.398 -5.241 5.476 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.476 -6.454 6.342 1.00 0.00 H new ATOM 0 HD1 TYR A 48 13.284 -4.115 6.513 1.00 0.00 H new ATOM 0 HD2 TYR A 48 11.125 -7.150 8.607 1.00 0.00 H new ATOM 0 HE1 TYR A 48 14.343 -3.415 8.625 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.183 -6.450 10.715 1.00 0.00 H new ATOM 0 HH TYR A 48 13.590 -5.064 11.712 1.00 0.00 H new ATOM 671 N ARG A 49 10.574 -8.554 4.273 1.00 0.00 N ATOM 672 CA ARG A 49 9.774 -9.017 3.146 1.00 0.00 C ATOM 673 C ARG A 49 8.522 -9.743 3.620 1.00 0.00 C ATOM 674 O ARG A 49 8.594 -10.648 4.451 1.00 0.00 O ATOM 675 CB ARG A 49 10.588 -9.945 2.256 1.00 0.00 C ATOM 676 CG ARG A 49 9.875 -10.414 0.998 1.00 0.00 C ATOM 677 CD ARG A 49 10.809 -11.077 0.052 1.00 0.00 C ATOM 678 NE ARG A 49 10.144 -11.470 -1.180 1.00 0.00 N ATOM 679 CZ ARG A 49 9.439 -12.607 -1.339 1.00 0.00 C ATOM 680 NH1 ARG A 49 9.316 -13.450 -0.337 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 8.871 -12.875 -2.501 1.00 0.00 N ATOM 0 H ARG A 49 10.356 -9.010 5.159 1.00 0.00 H new ATOM 0 HA ARG A 49 9.475 -8.138 2.575 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.506 -9.434 1.966 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.880 -10.819 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.078 -11.107 1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.404 -9.562 0.508 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.632 -10.401 -0.179 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.243 -11.957 0.527 1.00 0.00 H new ATOM 0 HE ARG A 49 10.216 -10.841 -1.980 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.754 -13.243 0.560 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.782 -14.311 -0.457 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.966 -12.221 -3.278 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.337 -13.736 -2.621 1.00 0.00 H new ATOM 695 N GLU A 50 7.373 -9.341 3.087 1.00 0.00 N ATOM 696 CA GLU A 50 6.122 -10.045 3.342 1.00 0.00 C ATOM 697 C GLU A 50 5.324 -10.234 2.058 1.00 0.00 C ATOM 698 O GLU A 50 5.640 -9.641 1.027 1.00 0.00 O ATOM 699 CB GLU A 50 5.281 -9.282 4.368 1.00 0.00 C ATOM 700 CG GLU A 50 5.886 -9.230 5.764 1.00 0.00 C ATOM 701 CD GLU A 50 5.859 -10.560 6.463 1.00 0.00 C ATOM 702 OE1 GLU A 50 5.132 -11.422 6.031 1.00 0.00 O ATOM 703 OE2 GLU A 50 6.567 -10.715 7.431 1.00 0.00 O1- ATOM 0 H GLU A 50 7.283 -8.530 2.475 1.00 0.00 H new ATOM 0 HA GLU A 50 6.369 -11.029 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.132 -8.263 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.296 -9.745 4.429 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.917 -8.882 5.695 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.343 -8.499 6.363 1.00 0.00 H new ATOM 710 N MET A 51 4.289 -11.065 2.128 1.00 0.00 N ATOM 711 CA MET A 51 3.501 -11.406 0.950 1.00 0.00 C ATOM 712 C MET A 51 2.041 -11.645 1.315 1.00 0.00 C ATOM 713 O MET A 51 1.724 -11.992 2.452 1.00 0.00 O ATOM 714 CB MET A 51 4.086 -12.638 0.262 1.00 0.00 C ATOM 715 CG MET A 51 4.040 -13.909 1.099 1.00 0.00 C ATOM 716 SD MET A 51 4.753 -15.329 0.247 1.00 0.00 S ATOM 717 CE MET A 51 3.507 -15.635 -1.002 1.00 0.00 C ATOM 0 H MET A 51 3.977 -11.515 2.989 1.00 0.00 H new ATOM 0 HA MET A 51 3.541 -10.563 0.260 1.00 0.00 H new ATOM 0 HB2 MET A 51 3.545 -12.811 -0.668 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.122 -12.432 -0.006 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.577 -13.744 2.033 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.005 -14.130 1.361 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.670 -16.617 -1.446 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.518 -15.603 -0.545 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.573 -14.871 -1.777 1.00 0.00 H new ATOM 727 N GLY A 52 1.155 -11.456 0.343 1.00 0.00 N ATOM 728 CA GLY A 52 -0.263 -11.735 0.533 1.00 0.00 C ATOM 729 C GLY A 52 -0.937 -12.090 -0.786 1.00 0.00 C ATOM 730 O GLY A 52 -0.334 -11.973 -1.853 1.00 0.00 O ATOM 0 H GLY A 52 1.395 -11.110 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.383 -12.557 1.238 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.752 -10.865 0.971 1.00 0.00 H new ATOM 734 N LYS A 53 -2.190 -12.523 -0.706 1.00 0.00 N ATOM 735 CA LYS A 53 -2.921 -12.973 -1.885 1.00 0.00 C ATOM 736 C LYS A 53 -4.417 -12.728 -1.732 1.00 0.00 C ATOM 737 O LYS A 53 -4.919 -12.564 -0.620 1.00 0.00 O ATOM 738 CB LYS A 53 -2.656 -14.457 -2.145 1.00 0.00 C ATOM 739 CG LYS A 53 -3.160 -15.388 -1.050 1.00 0.00 C ATOM 740 CD LYS A 53 -2.836 -16.840 -1.367 1.00 0.00 C ATOM 741 CE LYS A 53 -3.348 -17.773 -0.279 1.00 0.00 C ATOM 742 NZ LYS A 53 -3.086 -19.202 -0.603 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.721 -12.572 0.163 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.566 -12.395 -2.738 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.125 -14.738 -3.088 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.583 -14.606 -2.266 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.707 -15.112 -0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.238 -15.270 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.282 -17.114 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.758 -16.959 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.870 -17.522 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.419 -17.622 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.450 -19.804 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.563 -19.449 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.062 -19.353 -0.705 1.00 0.00 H new ATOM 756 N GLY A 54 -5.125 -12.704 -2.856 1.00 0.00 N ATOM 757 CA GLY A 54 -6.563 -12.462 -2.851 1.00 0.00 C ATOM 758 C GLY A 54 -7.164 -12.682 -4.233 1.00 0.00 C ATOM 759 O GLY A 54 -6.526 -13.262 -5.113 1.00 0.00 O ATOM 0 H GLY A 54 -4.726 -12.849 -3.783 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.044 -13.126 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.761 -11.441 -2.524 1.00 0.00 H new ATOM 763 N LYS A 55 -8.394 -12.216 -4.419 1.00 0.00 N ATOM 764 CA LYS A 55 -9.085 -12.365 -5.694 1.00 0.00 C ATOM 765 C LYS A 55 -8.749 -11.220 -6.641 1.00 0.00 C ATOM 766 O LYS A 55 -9.087 -11.260 -7.823 1.00 0.00 O ATOM 767 CB LYS A 55 -10.597 -12.442 -5.478 1.00 0.00 C ATOM 768 CG LYS A 55 -11.066 -13.693 -4.747 1.00 0.00 C ATOM 769 CD LYS A 55 -12.576 -13.693 -4.564 1.00 0.00 C ATOM 770 CE LYS A 55 -13.050 -14.960 -3.867 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.528 -14.980 -3.693 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.934 -11.731 -3.702 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.745 -13.295 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.916 -11.566 -4.914 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.093 -12.395 -6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.765 -14.578 -5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.580 -13.752 -3.773 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.873 -12.822 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.062 -13.607 -5.536 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.741 -15.830 -4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.569 -15.039 -2.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.809 -15.859 -3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.821 -14.164 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.988 -14.930 -4.624 1.00 0.00 H new ATOM 785 N SER A 56 -8.080 -10.200 -6.113 1.00 0.00 N ATOM 786 CA SER A 56 -7.628 -9.077 -6.926 1.00 0.00 C ATOM 787 C SER A 56 -6.179 -8.722 -6.618 1.00 0.00 C ATOM 788 O SER A 56 -5.683 -8.993 -5.524 1.00 0.00 O ATOM 789 CB SER A 56 -8.516 -7.871 -6.689 1.00 0.00 C ATOM 790 OG SER A 56 -9.839 -8.140 -7.061 1.00 0.00 O ATOM 0 H SER A 56 -7.839 -10.128 -5.125 1.00 0.00 H new ATOM 0 HA SER A 56 -7.692 -9.372 -7.973 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.481 -7.590 -5.636 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.140 -7.021 -7.258 1.00 0.00 H new ATOM 0 HG SER A 56 -10.392 -7.348 -6.897 1.00 0.00 H new ATOM 796 N LYS A 57 -5.505 -8.114 -7.588 1.00 0.00 N ATOM 797 CA LYS A 57 -4.141 -7.640 -7.392 1.00 0.00 C ATOM 798 C LYS A 57 -4.084 -6.550 -6.330 1.00 0.00 C ATOM 799 O LYS A 57 -3.146 -6.494 -5.534 1.00 0.00 O ATOM 800 CB LYS A 57 -3.559 -7.122 -8.709 1.00 0.00 C ATOM 801 CG LYS A 57 -3.269 -8.207 -9.738 1.00 0.00 C ATOM 802 CD LYS A 57 -2.679 -7.618 -11.010 1.00 0.00 C ATOM 803 CE LYS A 57 -2.437 -8.693 -12.059 1.00 0.00 C ATOM 804 NZ LYS A 57 -1.885 -8.127 -13.319 1.00 0.00 N1+ ATOM 0 H LYS A 57 -5.882 -7.938 -8.519 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.542 -8.483 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.255 -6.404 -9.142 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.636 -6.583 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.576 -8.935 -9.316 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.189 -8.742 -9.975 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.355 -6.862 -11.410 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.740 -7.115 -10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.746 -9.437 -11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.373 -9.209 -12.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.735 -8.892 -14.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.555 -7.435 -13.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.979 -7.657 -13.121 1.00 0.00 H new ATOM 818 N LYS A 58 -5.092 -5.685 -6.322 1.00 0.00 N ATOM 819 CA LYS A 58 -5.219 -4.665 -5.288 1.00 0.00 C ATOM 820 C LYS A 58 -5.225 -5.289 -3.898 1.00 0.00 C ATOM 821 O LYS A 58 -4.517 -4.833 -2.999 1.00 0.00 O ATOM 822 CB LYS A 58 -6.490 -3.842 -5.500 1.00 0.00 C ATOM 823 CG LYS A 58 -6.699 -2.731 -4.479 1.00 0.00 C ATOM 824 CD LYS A 58 -7.939 -1.912 -4.800 1.00 0.00 C ATOM 825 CE LYS A 58 -8.172 -0.827 -3.758 1.00 0.00 C ATOM 826 NZ LYS A 58 -9.383 -0.016 -4.059 1.00 0.00 N1+ ATOM 0 H LYS A 58 -5.834 -5.670 -7.021 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.354 -4.005 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.461 -3.402 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.350 -4.511 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.794 -3.163 -3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.825 -2.080 -4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.831 -1.456 -5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.808 -2.568 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.278 -1.285 -2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.300 -0.174 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.505 0.711 -3.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.272 0.443 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.219 -0.634 -4.076 1.00 0.00 H new ATOM 840 N ILE A 59 -6.028 -6.333 -3.727 1.00 0.00 N ATOM 841 CA ILE A 59 -6.132 -7.018 -2.443 1.00 0.00 C ATOM 842 C ILE A 59 -4.794 -7.616 -2.028 1.00 0.00 C ATOM 843 O ILE A 59 -4.322 -7.392 -0.913 1.00 0.00 O ATOM 844 CB ILE A 59 -7.197 -8.128 -2.498 1.00 0.00 C ATOM 845 CG1 ILE A 59 -8.592 -7.522 -2.670 1.00 0.00 C ATOM 846 CG2 ILE A 59 -7.137 -8.985 -1.243 1.00 0.00 C ATOM 847 CD1 ILE A 59 -9.661 -8.536 -3.010 1.00 0.00 C ATOM 0 H ILE A 59 -6.617 -6.724 -4.462 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.429 -6.276 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.990 -8.764 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.871 -7.009 -1.750 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.556 -6.768 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.897 -9.765 -1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.151 -9.443 -1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.320 -8.362 -0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.621 -8.031 -3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.407 -9.032 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.727 -9.277 -2.213 1.00 0.00 H new ATOM 859 N ALA A 60 -4.186 -8.378 -2.932 1.00 0.00 N ATOM 860 CA ALA A 60 -2.919 -9.039 -2.648 1.00 0.00 C ATOM 861 C ALA A 60 -1.847 -8.031 -2.256 1.00 0.00 C ATOM 862 O ALA A 60 -1.117 -8.232 -1.285 1.00 0.00 O ATOM 863 CB ALA A 60 -2.465 -9.853 -3.851 1.00 0.00 C ATOM 0 H ALA A 60 -4.552 -8.552 -3.868 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.073 -9.712 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.517 -10.341 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.215 -10.609 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.337 -9.193 -4.709 1.00 0.00 H new ATOM 869 N LYS A 61 -1.756 -6.945 -3.016 1.00 0.00 N ATOM 870 CA LYS A 61 -0.749 -5.920 -2.772 1.00 0.00 C ATOM 871 C LYS A 61 -0.962 -5.249 -1.421 1.00 0.00 C ATOM 872 O LYS A 61 -0.021 -5.078 -0.646 1.00 0.00 O ATOM 873 CB LYS A 61 -0.767 -4.874 -3.887 1.00 0.00 C ATOM 874 CG LYS A 61 0.420 -3.921 -3.876 1.00 0.00 C ATOM 875 CD LYS A 61 0.316 -2.894 -4.994 1.00 0.00 C ATOM 876 CE LYS A 61 0.485 -3.544 -6.360 1.00 0.00 C ATOM 877 NZ LYS A 61 0.395 -2.550 -7.464 1.00 0.00 N1+ ATOM 0 H LYS A 61 -2.369 -6.752 -3.808 1.00 0.00 H new ATOM 0 HA LYS A 61 0.226 -6.407 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.797 -5.386 -4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.685 -4.292 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.470 -3.411 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.345 -4.488 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.652 -2.395 -4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.078 -2.126 -4.857 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.450 -4.049 -6.404 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.281 -4.307 -6.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.515 -3.033 -8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.535 -2.086 -7.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.142 -1.835 -7.350 1.00 0.00 H new ATOM 891 N ARG A 62 -2.205 -4.871 -1.144 1.00 0.00 N ATOM 892 CA ARG A 62 -2.540 -4.195 0.104 1.00 0.00 C ATOM 893 C ARG A 62 -2.235 -5.077 1.308 1.00 0.00 C ATOM 894 O ARG A 62 -1.732 -4.602 2.326 1.00 0.00 O ATOM 895 CB ARG A 62 -4.011 -3.805 0.124 1.00 0.00 C ATOM 896 CG ARG A 62 -4.374 -2.634 -0.775 1.00 0.00 C ATOM 897 CD ARG A 62 -5.843 -2.416 -0.826 1.00 0.00 C ATOM 898 NE ARG A 62 -6.373 -1.996 0.461 1.00 0.00 N ATOM 899 CZ ARG A 62 -7.683 -1.960 0.774 1.00 0.00 C ATOM 900 NH1 ARG A 62 -8.581 -2.320 -0.116 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -8.065 -1.561 1.975 1.00 0.00 N ATOM 0 H ARG A 62 -2.998 -5.021 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.927 -3.296 0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.605 -4.669 -0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.293 -3.560 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.884 -1.731 -0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.998 -2.818 -1.782 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.072 -1.660 -1.577 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.336 -3.336 -1.139 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.706 -1.708 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.286 -2.626 -1.043 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.573 -2.293 0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -7.368 -1.280 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.057 -1.534 2.212 1.00 0.00 H new ATOM 915 N LEU A 63 -2.542 -6.364 1.184 1.00 0.00 N ATOM 916 CA LEU A 63 -2.286 -7.319 2.256 1.00 0.00 C ATOM 917 C LEU A 63 -0.797 -7.415 2.563 1.00 0.00 C ATOM 918 O LEU A 63 -0.385 -7.332 3.720 1.00 0.00 O ATOM 919 CB LEU A 63 -2.826 -8.703 1.873 1.00 0.00 C ATOM 920 CG LEU A 63 -4.353 -8.850 1.896 1.00 0.00 C ATOM 921 CD1 LEU A 63 -4.742 -10.194 1.295 1.00 0.00 C ATOM 922 CD2 LEU A 63 -4.854 -8.725 3.326 1.00 0.00 C ATOM 0 H LEU A 63 -2.969 -6.770 0.351 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.800 -6.965 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.471 -8.947 0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.398 -9.441 2.552 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.813 -8.061 1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.827 -10.299 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.387 -10.249 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.291 -10.997 1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.939 -8.829 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.405 -9.507 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.578 -7.749 3.724 1.00 0.00 H new ATOM 934 N ALA A 64 0.007 -7.591 1.520 1.00 0.00 N ATOM 935 CA ALA A 64 1.455 -7.663 1.672 1.00 0.00 C ATOM 936 C ALA A 64 2.009 -6.385 2.289 1.00 0.00 C ATOM 937 O ALA A 64 2.827 -6.431 3.208 1.00 0.00 O ATOM 938 CB ALA A 64 2.117 -7.930 0.328 1.00 0.00 C ATOM 0 H ALA A 64 -0.321 -7.687 0.559 1.00 0.00 H new ATOM 0 HA ALA A 64 1.681 -8.489 2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.198 -7.981 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.755 -8.876 -0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.873 -7.124 -0.364 1.00 0.00 H new ATOM 944 N ALA A 65 1.557 -5.244 1.780 1.00 0.00 N ATOM 945 CA ALA A 65 2.040 -3.951 2.249 1.00 0.00 C ATOM 946 C ALA A 65 1.681 -3.728 3.713 1.00 0.00 C ATOM 947 O ALA A 65 2.482 -3.198 4.484 1.00 0.00 O ATOM 948 CB ALA A 65 1.474 -2.830 1.390 1.00 0.00 C ATOM 0 H ALA A 65 0.856 -5.189 1.041 1.00 0.00 H new ATOM 0 HA ALA A 65 3.127 -3.947 2.163 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.844 -1.871 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.786 -2.971 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.385 -2.843 1.445 1.00 0.00 H new ATOM 954 N HIS A 66 0.474 -4.135 4.090 1.00 0.00 N ATOM 955 CA HIS A 66 0.014 -3.996 5.467 1.00 0.00 C ATOM 956 C HIS A 66 0.794 -4.910 6.403 1.00 0.00 C ATOM 957 O HIS A 66 1.113 -4.533 7.530 1.00 0.00 O ATOM 958 CB HIS A 66 -1.483 -4.305 5.571 1.00 0.00 C ATOM 959 CG HIS A 66 -2.085 -3.926 6.888 1.00 0.00 C ATOM 960 ND1 HIS A 66 -3.366 -4.287 7.252 1.00 0.00 N ATOM 961 CD2 HIS A 66 -1.584 -3.218 7.927 1.00 0.00 C ATOM 962 CE1 HIS A 66 -3.626 -3.817 8.459 1.00 0.00 C ATOM 963 NE2 HIS A 66 -2.561 -3.164 8.890 1.00 0.00 N ATOM 0 H HIS A 66 -0.204 -4.564 3.461 1.00 0.00 H new ATOM 0 HA HIS A 66 0.186 -2.963 5.768 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.010 -3.778 4.775 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.638 -5.371 5.404 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.600 -2.778 7.987 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.551 -3.945 9.001 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.478 -2.696 9.792 1.00 0.00 H new ATOM 970 N ARG A 67 1.097 -6.114 5.929 1.00 0.00 N ATOM 971 CA ARG A 67 1.965 -7.029 6.661 1.00 0.00 C ATOM 972 C ARG A 67 3.344 -6.421 6.884 1.00 0.00 C ATOM 973 O ARG A 67 3.929 -6.563 7.958 1.00 0.00 O ATOM 974 CB ARG A 67 2.110 -8.345 5.911 1.00 0.00 C ATOM 975 CG ARG A 67 0.918 -9.281 6.026 1.00 0.00 C ATOM 976 CD ARG A 67 1.173 -10.581 5.354 1.00 0.00 C ATOM 977 NE ARG A 67 2.259 -11.313 5.984 1.00 0.00 N ATOM 978 CZ ARG A 67 2.115 -12.138 7.040 1.00 0.00 C ATOM 979 NH1 ARG A 67 0.927 -12.324 7.570 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 3.168 -12.760 7.542 1.00 0.00 N ATOM 0 H ARG A 67 0.754 -6.479 5.040 1.00 0.00 H new ATOM 0 HA ARG A 67 1.502 -7.214 7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.283 -8.129 4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.996 -8.861 6.280 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.691 -9.454 7.078 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.041 -8.809 5.584 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.266 -11.186 5.377 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.413 -10.407 4.305 1.00 0.00 H new ATOM 0 HE ARG A 67 3.196 -11.194 5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.115 -11.844 7.182 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.817 -12.948 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.090 -12.616 7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.059 -13.384 8.341 1.00 0.00 H new ATOM 994 N MET A 68 3.858 -5.742 5.864 1.00 0.00 N ATOM 995 CA MET A 68 5.129 -5.037 5.976 1.00 0.00 C ATOM 996 C MET A 68 5.052 -3.924 7.013 1.00 0.00 C ATOM 997 O MET A 68 5.949 -3.772 7.842 1.00 0.00 O ATOM 998 CB MET A 68 5.540 -4.472 4.618 1.00 0.00 C ATOM 999 CG MET A 68 5.959 -5.523 3.599 1.00 0.00 C ATOM 1000 SD MET A 68 7.443 -6.420 4.095 1.00 0.00 S ATOM 1001 CE MET A 68 8.675 -5.127 3.976 1.00 0.00 C ATOM 0 H MET A 68 3.413 -5.665 4.949 1.00 0.00 H new ATOM 0 HA MET A 68 5.884 -5.750 6.306 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.707 -3.899 4.210 1.00 0.00 H new ATOM 0 HB3 MET A 68 6.365 -3.775 4.763 1.00 0.00 H new ATOM 0 HG2 MET A 68 5.142 -6.231 3.456 1.00 0.00 H new ATOM 0 HG3 MET A 68 6.135 -5.041 2.637 1.00 0.00 H new ATOM 0 HE1 MET A 68 9.671 -5.571 3.989 1.00 0.00 H new ATOM 0 HE2 MET A 68 8.535 -4.576 3.046 1.00 0.00 H new ATOM 0 HE3 MET A 68 8.571 -4.446 4.821 1.00 0.00 H new ATOM 1011 N TRP A 69 3.975 -3.148 6.962 1.00 0.00 N ATOM 1012 CA TRP A 69 3.744 -2.092 7.941 1.00 0.00 C ATOM 1013 C TRP A 69 3.762 -2.645 9.361 1.00 0.00 C ATOM 1014 O TRP A 69 4.462 -2.126 10.231 1.00 0.00 O ATOM 1015 CB TRP A 69 2.406 -1.402 7.675 1.00 0.00 C ATOM 1016 CG TRP A 69 2.120 -0.268 8.613 1.00 0.00 C ATOM 1017 CD1 TRP A 69 2.531 1.024 8.478 1.00 0.00 C ATOM 1018 CD2 TRP A 69 1.356 -0.319 9.842 1.00 0.00 C ATOM 1019 NE1 TRP A 69 2.079 1.778 9.533 1.00 0.00 N ATOM 1020 CE2 TRP A 69 1.356 0.972 10.376 1.00 0.00 C ATOM 1021 CE3 TRP A 69 0.680 -1.342 10.520 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 0.708 1.275 11.563 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 0.029 -1.038 11.709 1.00 0.00 C ATOM 1024 CH2 TRP A 69 0.043 0.237 12.217 1.00 0.00 C ATOM 0 H TRP A 69 3.247 -3.231 6.252 1.00 0.00 H new ATOM 0 HA TRP A 69 4.550 -1.365 7.842 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.397 -1.027 6.651 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.605 -2.138 7.752 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.126 1.401 7.659 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.252 2.774 9.668 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.665 -2.347 10.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.717 2.277 11.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.496 -1.817 12.242 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.472 0.442 13.144 1.00 0.00 H new ATOM 1035 N MET A 70 2.987 -3.700 9.589 1.00 0.00 N ATOM 1036 CA MET A 70 2.932 -4.341 10.897 1.00 0.00 C ATOM 1037 C MET A 70 4.287 -4.919 11.285 1.00 0.00 C ATOM 1038 O MET A 70 4.715 -4.806 12.434 1.00 0.00 O ATOM 1039 CB MET A 70 1.865 -5.434 10.905 1.00 0.00 C ATOM 1040 CG MET A 70 0.434 -4.917 10.859 1.00 0.00 C ATOM 1041 SD MET A 70 -0.786 -6.223 11.100 1.00 0.00 S ATOM 1042 CE MET A 70 -0.760 -7.012 9.493 1.00 0.00 C ATOM 0 H MET A 70 2.388 -4.129 8.884 1.00 0.00 H new ATOM 0 HA MET A 70 2.667 -3.583 11.634 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.029 -6.091 10.051 1.00 0.00 H new ATOM 0 HB3 MET A 70 1.990 -6.041 11.802 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.302 -4.156 11.628 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.257 -4.433 9.898 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.684 -7.571 9.347 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.669 -6.253 8.716 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.089 -7.693 9.436 1.00 0.00 H new ATOM 1052 N ARG A 71 4.958 -5.539 10.321 1.00 0.00 N ATOM 1053 CA ARG A 71 6.268 -6.134 10.559 1.00 0.00 C ATOM 1054 C ARG A 71 7.247 -5.106 11.112 1.00 0.00 C ATOM 1055 O ARG A 71 7.968 -5.376 12.073 1.00 0.00 O ATOM 1056 CB ARG A 71 6.829 -6.725 9.274 1.00 0.00 C ATOM 1057 CG ARG A 71 8.231 -7.300 9.394 1.00 0.00 C ATOM 1058 CD ARG A 71 8.276 -8.445 10.340 1.00 0.00 C ATOM 1059 NE ARG A 71 7.515 -9.583 9.851 1.00 0.00 N ATOM 1060 CZ ARG A 71 7.097 -10.610 10.617 1.00 0.00 C ATOM 1061 NH1 ARG A 71 7.373 -10.626 11.902 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 6.409 -11.600 10.076 1.00 0.00 N ATOM 0 H ARG A 71 4.616 -5.643 9.366 1.00 0.00 H new ATOM 0 HA ARG A 71 6.139 -6.927 11.295 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.158 -7.511 8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.834 -5.951 8.507 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.576 -7.625 8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.916 -6.522 9.731 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.312 -8.743 10.500 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.881 -8.133 11.307 1.00 0.00 H new ATOM 0 HE ARG A 71 7.281 -9.606 8.858 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.903 -9.861 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.057 -11.403 12.482 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.194 -11.587 9.079 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.093 -12.377 10.655 1.00 0.00 H new ATOM 1076 N LEU A 72 7.268 -3.927 10.499 1.00 0.00 N ATOM 1077 CA LEU A 72 8.184 -2.869 10.907 1.00 0.00 C ATOM 1078 C LEU A 72 7.692 -2.168 12.166 1.00 0.00 C ATOM 1079 O LEU A 72 8.488 -1.723 12.993 1.00 0.00 O ATOM 1080 CB LEU A 72 8.348 -1.846 9.776 1.00 0.00 C ATOM 1081 CG LEU A 72 9.417 -2.179 8.726 1.00 0.00 C ATOM 1082 CD1 LEU A 72 9.332 -3.657 8.367 1.00 0.00 C ATOM 1083 CD2 LEU A 72 9.213 -1.305 7.498 1.00 0.00 C ATOM 0 H LEU A 72 6.661 -3.680 9.718 1.00 0.00 H new ATOM 0 HA LEU A 72 9.149 -3.328 11.125 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.389 -1.736 9.269 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.588 -0.879 10.218 1.00 0.00 H new ATOM 0 HG LEU A 72 10.410 -1.979 9.128 1.00 0.00 H new ATOM 0 HD11 LEU A 72 10.091 -3.895 7.621 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.500 -4.259 9.260 1.00 0.00 H new ATOM 0 HD13 LEU A 72 8.344 -3.877 7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.972 -1.542 6.753 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.224 -1.490 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.297 -0.256 7.780 1.00 0.00 H new ATOM 1095 N GLN A 73 6.374 -2.072 12.307 1.00 0.00 N ATOM 1096 CA GLN A 73 5.771 -1.480 13.495 1.00 0.00 C ATOM 1097 C GLN A 73 6.167 -2.243 14.752 1.00 0.00 C ATOM 1098 O GLN A 73 6.522 -1.645 15.767 1.00 0.00 O ATOM 1099 CB GLN A 73 4.246 -1.447 13.362 1.00 0.00 C ATOM 1100 CG GLN A 73 3.533 -0.804 14.539 1.00 0.00 C ATOM 1101 CD GLN A 73 3.862 0.670 14.680 1.00 0.00 C ATOM 1102 OE1 GLN A 73 3.790 1.432 13.712 1.00 0.00 O ATOM 1103 NE2 GLN A 73 4.226 1.082 15.889 1.00 0.00 N ATOM 0 H GLN A 73 5.702 -2.397 11.612 1.00 0.00 H new ATOM 0 HA GLN A 73 6.143 -0.459 13.583 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.983 -0.906 12.453 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.881 -2.467 13.243 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.456 -0.923 14.417 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.809 -1.324 15.456 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.272 0.418 16.662 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.459 2.063 16.045 1.00 0.00 H new ATOM 1112 N GLU A 74 6.104 -3.569 14.678 1.00 0.00 N ATOM 1113 CA GLU A 74 6.436 -4.416 15.817 1.00 0.00 C ATOM 1114 C GLU A 74 7.925 -4.734 15.852 1.00 0.00 C ATOM 1115 O GLU A 74 8.476 -4.463 16.641 1.00 0.00 O ATOM 1116 CB GLU A 74 5.628 -5.715 15.769 1.00 0.00 C ATOM 1117 CG GLU A 74 4.126 -5.527 15.924 1.00 0.00 C ATOM 1118 CD GLU A 74 3.366 -6.823 15.874 1.00 0.00 C ATOM 1119 OE1 GLU A 74 3.984 -7.847 15.705 1.00 0.00 O ATOM 1120 OE2 GLU A 74 2.165 -6.790 16.005 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 8.438 -5.310 14.932 1.00 0.00 O1- ATOM 0 H GLU A 74 5.826 -4.080 13.840 1.00 0.00 H new ATOM 0 HA GLU A 74 6.181 -3.869 16.724 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.823 -6.215 14.820 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.982 -6.378 16.558 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.923 -5.029 16.872 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.764 -4.869 15.134 1.00 0.00 H new