USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 835 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: X 17 GLN : amide:sc= -0.318 X(o=-0.43,f=-0.17) USER MOD Set 1.2: X 20 LYS NZ :NH3+ -139:sc= -0.117 (180deg=0) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ -162:sc= -0.0323 (180deg=-0.409) USER MOD Single : X 3 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 6 SER OG : rot 180:sc= 0.134 USER MOD Single : X 7 GLN : amide:sc=-0.00708 K(o=-0.0071,f=-1.5!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : X 16 LYS NZ :NH3+ 159:sc= -5! (180deg=-5.58!) USER MOD Single : X 21 THR OG1 : rot -18:sc= 0.541 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 164:sc= 0.434 (180deg=0.336) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 41 THR OG1 : rot 108:sc= 0.577 USER MOD Single : X 42 CYS SG : rot 180:sc= 0 USER MOD Single : X 47 GLN : amide:sc= -0.261 X(o=-0.26,f=-0.48) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 71:sc= 0.203 USER MOD Single : X 64 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.8!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -0.185 K(o=-0.18,f=-2.3!) USER MOD Single : X 69 THR OG1 : rot 108:sc= 1.03 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot -76:sc= 0.0373 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot -90:sc= 0.0115 USER MOD Single : X 84 ASN : amide:sc= -1.01 K(o=-1,f=-2.7!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 96 ASN : amide:sc= -0.0984 K(o=-0.098,f=-2.5!) USER MOD Single : X 98 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.7!) USER MOD Single : X 100 MET CE :methyl -149:sc= -0.247 (180deg=-1.51!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 71.407 -6.094 -0.770 1.00 1.00 N ATOM 2 CA MET X 1 71.598 -7.486 -0.274 1.00 1.00 C ATOM 3 C MET X 1 71.261 -8.477 -1.391 1.00 1.00 C ATOM 4 O MET X 1 71.926 -8.532 -2.405 1.00 1.00 O ATOM 5 CB MET X 1 70.675 -7.733 0.922 1.00 1.00 C ATOM 6 CG MET X 1 71.140 -6.886 2.108 1.00 1.00 C ATOM 7 SD MET X 1 70.006 -7.121 3.498 1.00 1.00 S ATOM 8 CE MET X 1 70.618 -5.761 4.523 1.00 1.00 C ATOM 0 H1 MET X 1 71.911 -5.431 -0.147 1.00 1.00 H new ATOM 0 H2 MET X 1 71.783 -6.015 -1.736 1.00 1.00 H new ATOM 0 H3 MET X 1 70.393 -5.863 -0.774 1.00 1.00 H new ATOM 0 HA MET X 1 72.635 -7.623 0.033 1.00 1.00 H new ATOM 0 HB2 MET X 1 69.648 -7.479 0.661 1.00 1.00 H new ATOM 0 HB3 MET X 1 70.684 -8.789 1.190 1.00 1.00 H new ATOM 0 HG2 MET X 1 72.151 -7.171 2.398 1.00 1.00 H new ATOM 0 HG3 MET X 1 71.174 -5.834 1.826 1.00 1.00 H new ATOM 0 HE1 MET X 1 70.048 -5.720 5.451 1.00 1.00 H new ATOM 0 HE2 MET X 1 71.672 -5.923 4.751 1.00 1.00 H new ATOM 0 HE3 MET X 1 70.504 -4.820 3.985 1.00 1.00 H new ATOM 20 N GLY X 2 70.231 -9.258 -1.211 1.00 1.00 N ATOM 21 CA GLY X 2 69.853 -10.245 -2.263 1.00 1.00 C ATOM 22 C GLY X 2 70.686 -11.517 -2.096 1.00 1.00 C ATOM 23 O GLY X 2 70.659 -12.402 -2.929 1.00 1.00 O ATOM 0 H GLY X 2 69.636 -9.256 -0.383 1.00 1.00 H new ATOM 0 HA2 GLY X 2 68.791 -10.481 -2.190 1.00 1.00 H new ATOM 0 HA3 GLY X 2 70.017 -9.818 -3.252 1.00 1.00 H new ATOM 27 N GLN X 3 71.426 -11.617 -1.026 1.00 1.00 N ATOM 28 CA GLN X 3 72.261 -12.831 -0.807 1.00 1.00 C ATOM 29 C GLN X 3 71.994 -13.389 0.593 1.00 1.00 C ATOM 30 O GLN X 3 71.525 -12.692 1.470 1.00 1.00 O ATOM 31 CB GLN X 3 73.740 -12.463 -0.938 1.00 1.00 C ATOM 32 CG GLN X 3 74.583 -13.739 -0.987 1.00 1.00 C ATOM 33 CD GLN X 3 76.062 -13.369 -1.114 1.00 1.00 C ATOM 34 OE1 GLN X 3 76.395 -12.243 -1.427 1.00 1.00 O ATOM 35 NE2 GLN X 3 76.971 -14.276 -0.882 1.00 1.00 N ATOM 0 H GLN X 3 71.488 -10.910 -0.294 1.00 1.00 H new ATOM 0 HA GLN X 3 72.008 -13.586 -1.552 1.00 1.00 H new ATOM 0 HB2 GLN X 3 73.900 -11.874 -1.841 1.00 1.00 H new ATOM 0 HB3 GLN X 3 74.047 -11.844 -0.095 1.00 1.00 H new ATOM 0 HG2 GLN X 3 74.421 -14.329 -0.085 1.00 1.00 H new ATOM 0 HG3 GLN X 3 74.278 -14.357 -1.832 1.00 1.00 H new ATOM 0 HE21 GLN X 3 76.693 -15.221 -0.619 1.00 1.00 H new ATOM 0 HE22 GLN X 3 77.960 -14.040 -0.963 1.00 1.00 H new ATOM 44 N GLU X 4 72.291 -14.641 0.810 1.00 1.00 N ATOM 45 CA GLU X 4 72.058 -15.241 2.154 1.00 1.00 C ATOM 46 C GLU X 4 72.957 -14.554 3.184 1.00 1.00 C ATOM 47 O GLU X 4 74.062 -14.147 2.885 1.00 1.00 O ATOM 48 CB GLU X 4 72.385 -16.734 2.109 1.00 1.00 C ATOM 49 CG GLU X 4 71.348 -17.459 1.248 1.00 1.00 C ATOM 50 CD GLU X 4 71.716 -18.940 1.145 1.00 1.00 C ATOM 51 OE1 GLU X 4 72.683 -19.336 1.777 1.00 1.00 O ATOM 52 OE2 GLU X 4 71.026 -19.655 0.437 1.00 1.00 O ATOM 0 H GLU X 4 72.685 -15.274 0.114 1.00 1.00 H new ATOM 0 HA GLU X 4 71.014 -15.105 2.435 1.00 1.00 H new ATOM 0 HB2 GLU X 4 73.384 -16.886 1.699 1.00 1.00 H new ATOM 0 HB3 GLU X 4 72.388 -17.147 3.118 1.00 1.00 H new ATOM 0 HG2 GLU X 4 70.356 -17.350 1.686 1.00 1.00 H new ATOM 0 HG3 GLU X 4 71.309 -17.013 0.254 1.00 1.00 H new ATOM 59 N LEU X 5 72.491 -14.418 4.395 1.00 1.00 N ATOM 60 CA LEU X 5 73.316 -13.753 5.443 1.00 1.00 C ATOM 61 C LEU X 5 74.119 -14.808 6.207 1.00 1.00 C ATOM 62 O LEU X 5 73.598 -15.502 7.057 1.00 1.00 O ATOM 63 CB LEU X 5 72.403 -13.002 6.414 1.00 1.00 C ATOM 64 CG LEU X 5 71.844 -11.754 5.728 1.00 1.00 C ATOM 65 CD1 LEU X 5 70.756 -11.133 6.607 1.00 1.00 C ATOM 66 CD2 LEU X 5 72.971 -10.740 5.521 1.00 1.00 C ATOM 0 H LEU X 5 71.574 -14.739 4.704 1.00 1.00 H new ATOM 0 HA LEU X 5 74.000 -13.048 4.972 1.00 1.00 H new ATOM 0 HB2 LEU X 5 71.587 -13.649 6.737 1.00 1.00 H new ATOM 0 HB3 LEU X 5 72.959 -12.720 7.308 1.00 1.00 H new ATOM 0 HG LEU X 5 71.419 -12.029 4.763 1.00 1.00 H new ATOM 0 HD11 LEU X 5 70.357 -10.244 6.119 1.00 1.00 H new ATOM 0 HD12 LEU X 5 69.953 -11.855 6.757 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.181 -10.857 7.572 1.00 1.00 H new ATOM 0 HD21 LEU X 5 72.574 -9.850 5.032 1.00 1.00 H new ATOM 0 HD22 LEU X 5 73.395 -10.465 6.487 1.00 1.00 H new ATOM 0 HD23 LEU X 5 73.747 -11.181 4.896 1.00 1.00 H new ATOM 78 N SER X 6 75.384 -14.931 5.913 1.00 1.00 N ATOM 79 CA SER X 6 76.224 -15.933 6.631 1.00 1.00 C ATOM 80 C SER X 6 76.736 -15.329 7.940 1.00 1.00 C ATOM 81 O SER X 6 76.580 -14.151 8.195 1.00 1.00 O ATOM 82 CB SER X 6 77.411 -16.325 5.753 1.00 1.00 C ATOM 83 OG SER X 6 78.436 -15.348 5.883 1.00 1.00 O ATOM 0 H SER X 6 75.873 -14.381 5.207 1.00 1.00 H new ATOM 0 HA SER X 6 75.625 -16.817 6.850 1.00 1.00 H new ATOM 0 HB2 SER X 6 77.787 -17.305 6.047 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.098 -16.403 4.712 1.00 1.00 H new ATOM 0 HG SER X 6 79.199 -15.598 5.322 1.00 1.00 H new ATOM 89 N GLN X 7 77.348 -16.124 8.773 1.00 1.00 N ATOM 90 CA GLN X 7 77.867 -15.595 10.065 1.00 1.00 C ATOM 91 C GLN X 7 78.836 -14.443 9.791 1.00 1.00 C ATOM 92 O GLN X 7 78.824 -13.435 10.470 1.00 1.00 O ATOM 93 CB GLN X 7 78.598 -16.709 10.819 1.00 1.00 C ATOM 94 CG GLN X 7 79.062 -16.188 12.181 1.00 1.00 C ATOM 95 CD GLN X 7 79.702 -17.328 12.974 1.00 1.00 C ATOM 96 OE1 GLN X 7 79.478 -18.487 12.683 1.00 1.00 O ATOM 97 NE2 GLN X 7 80.497 -17.049 13.971 1.00 1.00 N ATOM 0 H GLN X 7 77.511 -17.118 8.615 1.00 1.00 H new ATOM 0 HA GLN X 7 77.035 -15.235 10.670 1.00 1.00 H new ATOM 0 HB2 GLN X 7 77.938 -17.566 10.952 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.454 -17.053 10.239 1.00 1.00 H new ATOM 0 HG2 GLN X 7 79.778 -15.377 12.047 1.00 1.00 H new ATOM 0 HG3 GLN X 7 78.216 -15.778 12.732 1.00 1.00 H new ATOM 0 HE21 GLN X 7 80.686 -16.077 14.216 1.00 1.00 H new ATOM 0 HE22 GLN X 7 80.929 -17.803 14.505 1.00 1.00 H new ATOM 106 N HIS X 8 79.673 -14.583 8.801 1.00 1.00 N ATOM 107 CA HIS X 8 80.640 -13.495 8.481 1.00 1.00 C ATOM 108 C HIS X 8 79.878 -12.262 7.990 1.00 1.00 C ATOM 109 O HIS X 8 80.184 -11.145 8.357 1.00 1.00 O ATOM 110 CB HIS X 8 81.599 -13.970 7.388 1.00 1.00 C ATOM 111 CG HIS X 8 82.600 -12.886 7.095 1.00 1.00 C ATOM 112 ND1 HIS X 8 83.643 -12.587 7.962 1.00 1.00 N ATOM 113 CD2 HIS X 8 82.734 -12.022 6.036 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.351 -11.582 7.414 1.00 1.00 C ATOM 115 NE2 HIS X 8 83.839 -11.203 6.243 1.00 1.00 N ATOM 0 H HIS X 8 79.730 -15.404 8.199 1.00 1.00 H new ATOM 0 HA HIS X 8 81.207 -13.239 9.376 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.112 -14.877 7.708 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.043 -14.220 6.485 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.082 -11.984 5.176 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.225 -11.138 7.867 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.185 -10.467 5.628 1.00 1.00 H new ATOM 123 N GLU X 9 78.887 -12.455 7.162 1.00 1.00 N ATOM 124 CA GLU X 9 78.111 -11.292 6.647 1.00 1.00 C ATOM 125 C GLU X 9 77.335 -10.648 7.798 1.00 1.00 C ATOM 126 O GLU X 9 77.211 -9.443 7.878 1.00 1.00 O ATOM 127 CB GLU X 9 77.132 -11.770 5.572 1.00 1.00 C ATOM 128 CG GLU X 9 77.909 -12.206 4.329 1.00 1.00 C ATOM 129 CD GLU X 9 76.932 -12.719 3.270 1.00 1.00 C ATOM 130 OE1 GLU X 9 75.738 -12.570 3.473 1.00 1.00 O ATOM 131 OE2 GLU X 9 77.394 -13.252 2.275 1.00 1.00 O ATOM 0 H GLU X 9 78.582 -13.367 6.821 1.00 1.00 H new ATOM 0 HA GLU X 9 78.793 -10.559 6.216 1.00 1.00 H new ATOM 0 HB2 GLU X 9 76.537 -12.601 5.951 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.437 -10.970 5.317 1.00 1.00 H new ATOM 0 HG2 GLU X 9 78.483 -11.368 3.934 1.00 1.00 H new ATOM 0 HG3 GLU X 9 78.623 -12.987 4.589 1.00 1.00 H new ATOM 138 N ARG X 10 76.813 -11.445 8.691 1.00 1.00 N ATOM 139 CA ARG X 10 76.051 -10.881 9.840 1.00 1.00 C ATOM 140 C ARG X 10 77.012 -10.156 10.787 1.00 1.00 C ATOM 141 O ARG X 10 76.672 -9.154 11.383 1.00 1.00 O ATOM 142 CB ARG X 10 75.353 -12.014 10.595 1.00 1.00 C ATOM 143 CG ARG X 10 74.236 -12.595 9.725 1.00 1.00 C ATOM 144 CD ARG X 10 73.517 -13.707 10.491 1.00 1.00 C ATOM 145 NE ARG X 10 72.434 -14.278 9.641 1.00 1.00 N ATOM 146 CZ ARG X 10 71.530 -15.055 10.170 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.572 -15.331 11.445 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.582 -15.556 9.424 1.00 1.00 N ATOM 0 H ARG X 10 76.882 -12.463 8.674 1.00 1.00 H new ATOM 0 HA ARG X 10 75.306 -10.177 9.469 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.072 -12.792 10.850 1.00 1.00 H new ATOM 0 HB3 ARG X 10 74.941 -11.641 11.533 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.529 -11.812 9.452 1.00 1.00 H new ATOM 0 HG3 ARG X 10 74.651 -12.988 8.797 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.225 -14.488 10.769 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.097 -13.313 11.417 1.00 1.00 H new ATOM 0 HE ARG X 10 72.400 -14.061 8.645 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.312 -14.939 12.028 1.00 1.00 H new ATOM 0 HH12 ARG X 10 70.865 -15.939 11.859 1.00 1.00 H new ATOM 0 HH21 ARG X 10 70.549 -15.340 8.428 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.875 -16.164 9.838 1.00 1.00 H new ATOM 162 N TYR X 11 78.208 -10.657 10.930 1.00 1.00 N ATOM 163 CA TYR X 11 79.183 -10.001 11.847 1.00 1.00 C ATOM 164 C TYR X 11 79.458 -8.577 11.362 1.00 1.00 C ATOM 165 O TYR X 11 79.409 -7.631 12.124 1.00 1.00 O ATOM 166 CB TYR X 11 80.490 -10.797 11.856 1.00 1.00 C ATOM 167 CG TYR X 11 81.520 -10.062 12.681 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.461 -10.107 14.078 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.535 -9.335 12.046 1.00 1.00 C ATOM 170 CE1 TYR X 11 82.417 -9.426 14.842 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.490 -8.654 12.809 1.00 1.00 C ATOM 172 CZ TYR X 11 83.431 -8.699 14.208 1.00 1.00 C ATOM 173 OH TYR X 11 84.372 -8.028 14.961 1.00 1.00 O ATOM 0 H TYR X 11 78.552 -11.490 10.453 1.00 1.00 H new ATOM 0 HA TYR X 11 78.770 -9.969 12.855 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.320 -11.792 12.268 1.00 1.00 H new ATOM 0 HB3 TYR X 11 80.853 -10.932 10.837 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.678 -10.667 14.567 1.00 1.00 H new ATOM 0 HD2 TYR X 11 82.581 -9.300 10.968 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.372 -9.462 15.920 1.00 1.00 H new ATOM 0 HE2 TYR X 11 84.273 -8.094 12.319 1.00 1.00 H new ATOM 0 HH TYR X 11 85.005 -7.575 14.366 1.00 1.00 H new ATOM 183 N VAL X 12 79.748 -8.413 10.100 1.00 1.00 N ATOM 184 CA VAL X 12 80.026 -7.047 9.572 1.00 1.00 C ATOM 185 C VAL X 12 78.739 -6.222 9.603 1.00 1.00 C ATOM 186 O VAL X 12 78.763 -5.023 9.796 1.00 1.00 O ATOM 187 CB VAL X 12 80.527 -7.148 8.131 1.00 1.00 C ATOM 188 CG1 VAL X 12 81.901 -7.822 8.115 1.00 1.00 C ATOM 189 CG2 VAL X 12 79.542 -7.980 7.306 1.00 1.00 C ATOM 0 H VAL X 12 79.804 -9.165 9.413 1.00 1.00 H new ATOM 0 HA VAL X 12 80.786 -6.567 10.188 1.00 1.00 H new ATOM 0 HB VAL X 12 80.607 -6.149 7.703 1.00 1.00 H new ATOM 0 HG11 VAL X 12 82.259 -7.894 7.088 1.00 1.00 H new ATOM 0 HG12 VAL X 12 82.603 -7.231 8.703 1.00 1.00 H new ATOM 0 HG13 VAL X 12 81.821 -8.821 8.543 1.00 1.00 H new ATOM 0 HG21 VAL X 12 79.898 -8.052 6.278 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.462 -8.979 7.734 1.00 1.00 H new ATOM 0 HG23 VAL X 12 78.563 -7.501 7.317 1.00 1.00 H new ATOM 199 N GLU X 13 77.615 -6.856 9.417 1.00 1.00 N ATOM 200 CA GLU X 13 76.327 -6.110 9.446 1.00 1.00 C ATOM 201 C GLU X 13 76.164 -5.434 10.808 1.00 1.00 C ATOM 202 O GLU X 13 75.807 -4.275 10.897 1.00 1.00 O ATOM 203 CB GLU X 13 75.167 -7.081 9.216 1.00 1.00 C ATOM 204 CG GLU X 13 73.858 -6.296 9.108 1.00 1.00 C ATOM 205 CD GLU X 13 72.714 -7.254 8.773 1.00 1.00 C ATOM 206 OE1 GLU X 13 72.913 -8.451 8.898 1.00 1.00 O ATOM 207 OE2 GLU X 13 71.656 -6.774 8.398 1.00 1.00 O ATOM 0 H GLU X 13 77.533 -7.858 9.246 1.00 1.00 H new ATOM 0 HA GLU X 13 76.326 -5.354 8.661 1.00 1.00 H new ATOM 0 HB2 GLU X 13 75.335 -7.656 8.305 1.00 1.00 H new ATOM 0 HB3 GLU X 13 75.108 -7.795 10.037 1.00 1.00 H new ATOM 0 HG2 GLU X 13 73.652 -5.781 10.046 1.00 1.00 H new ATOM 0 HG3 GLU X 13 73.943 -5.531 8.336 1.00 1.00 H new ATOM 214 N GLN X 14 76.424 -6.145 11.871 1.00 1.00 N ATOM 215 CA GLN X 14 76.291 -5.530 13.221 1.00 1.00 C ATOM 216 C GLN X 14 77.284 -4.375 13.338 1.00 1.00 C ATOM 217 O GLN X 14 77.001 -3.358 13.939 1.00 1.00 O ATOM 218 CB GLN X 14 76.598 -6.578 14.294 1.00 1.00 C ATOM 219 CG GLN X 14 76.369 -5.973 15.680 1.00 1.00 C ATOM 220 CD GLN X 14 76.664 -7.025 16.752 1.00 1.00 C ATOM 221 OE1 GLN X 14 76.734 -8.202 16.461 1.00 1.00 O ATOM 222 NE2 GLN X 14 76.839 -6.647 17.989 1.00 1.00 N ATOM 0 H GLN X 14 76.721 -7.121 11.863 1.00 1.00 H new ATOM 0 HA GLN X 14 75.275 -5.161 13.360 1.00 1.00 H new ATOM 0 HB2 GLN X 14 75.960 -7.451 14.157 1.00 1.00 H new ATOM 0 HB3 GLN X 14 77.629 -6.918 14.200 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.013 -5.105 15.820 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.340 -5.625 15.771 1.00 1.00 H new ATOM 0 HE21 GLN X 14 76.780 -5.658 18.233 1.00 1.00 H new ATOM 0 HE22 GLN X 14 77.035 -7.340 18.711 1.00 1.00 H new ATOM 231 N LEU X 15 78.451 -4.528 12.777 1.00 1.00 N ATOM 232 CA LEU X 15 79.458 -3.434 12.853 1.00 1.00 C ATOM 233 C LEU X 15 78.892 -2.196 12.156 1.00 1.00 C ATOM 234 O LEU X 15 79.028 -1.086 12.632 1.00 1.00 O ATOM 235 CB LEU X 15 80.745 -3.874 12.154 1.00 1.00 C ATOM 236 CG LEU X 15 81.745 -2.717 12.155 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.025 -2.286 13.596 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.050 -3.173 11.498 1.00 1.00 C ATOM 0 H LEU X 15 78.750 -5.361 12.270 1.00 1.00 H new ATOM 0 HA LEU X 15 79.679 -3.204 13.895 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.171 -4.738 12.664 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.529 -4.182 11.131 1.00 1.00 H new ATOM 0 HG LEU X 15 81.330 -1.877 11.598 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.738 -1.461 13.597 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.096 -1.963 14.066 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.441 -3.126 14.153 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.764 -2.350 11.498 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.464 -4.013 12.056 1.00 1.00 H new ATOM 0 HD23 LEU X 15 82.852 -3.482 10.472 1.00 1.00 H new ATOM 250 N LYS X 16 78.260 -2.382 11.029 1.00 1.00 N ATOM 251 CA LYS X 16 77.675 -1.224 10.298 1.00 1.00 C ATOM 252 C LYS X 16 76.711 -0.474 11.217 1.00 1.00 C ATOM 253 O LYS X 16 76.713 0.740 11.277 1.00 1.00 O ATOM 254 CB LYS X 16 76.918 -1.727 9.067 1.00 1.00 C ATOM 255 CG LYS X 16 76.393 -0.532 8.268 1.00 1.00 C ATOM 256 CD LYS X 16 75.646 -1.035 7.031 1.00 1.00 C ATOM 257 CE LYS X 16 75.145 0.158 6.216 1.00 1.00 C ATOM 258 NZ LYS X 16 74.422 -0.333 5.009 1.00 1.00 N ATOM 0 H LYS X 16 78.124 -3.289 10.583 1.00 1.00 H new ATOM 0 HA LYS X 16 78.474 -0.552 9.984 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.576 -2.333 8.445 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.090 -2.366 9.372 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.728 0.070 8.888 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.221 0.112 7.970 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.305 -1.654 6.422 1.00 1.00 H new ATOM 0 HD3 LYS X 16 74.806 -1.662 7.330 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.483 0.775 6.824 1.00 1.00 H new ATOM 0 HE3 LYS X 16 75.984 0.787 5.919 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 73.792 0.414 4.654 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 75.110 -0.585 4.271 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 73.859 -1.171 5.259 1.00 1.00 H new ATOM 272 N GLN X 17 75.885 -1.185 11.934 1.00 1.00 N ATOM 273 CA GLN X 17 74.929 -0.507 12.853 1.00 1.00 C ATOM 274 C GLN X 17 75.708 0.404 13.803 1.00 1.00 C ATOM 275 O GLN X 17 75.316 1.523 14.067 1.00 1.00 O ATOM 276 CB GLN X 17 74.164 -1.555 13.663 1.00 1.00 C ATOM 277 CG GLN X 17 73.368 -2.453 12.713 1.00 1.00 C ATOM 278 CD GLN X 17 72.296 -1.623 12.004 1.00 1.00 C ATOM 279 OE1 GLN X 17 71.489 -0.976 12.643 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.252 -1.615 10.700 1.00 1.00 N ATOM 0 H GLN X 17 75.831 -2.204 11.923 1.00 1.00 H new ATOM 0 HA GLN X 17 74.221 0.085 12.273 1.00 1.00 H new ATOM 0 HB2 GLN X 17 74.859 -2.155 14.250 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.491 -1.066 14.367 1.00 1.00 H new ATOM 0 HG2 GLN X 17 74.035 -2.907 11.980 1.00 1.00 H new ATOM 0 HG3 GLN X 17 72.904 -3.267 13.269 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.929 -2.158 10.164 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.541 -1.066 10.217 1.00 1.00 H new ATOM 289 N ALA X 18 76.810 -0.070 14.316 1.00 1.00 N ATOM 290 CA ALA X 18 77.635 0.778 15.222 1.00 1.00 C ATOM 291 C ALA X 18 78.158 1.988 14.448 1.00 1.00 C ATOM 292 O ALA X 18 78.238 3.083 14.968 1.00 1.00 O ATOM 293 CB ALA X 18 78.816 -0.040 15.751 1.00 1.00 C ATOM 0 H ALA X 18 77.175 -1.007 14.147 1.00 1.00 H new ATOM 0 HA ALA X 18 77.025 1.118 16.059 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.420 0.580 16.414 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.443 -0.904 16.302 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.427 -0.379 14.915 1.00 1.00 H new ATOM 299 N LEU X 19 78.515 1.800 13.208 1.00 1.00 N ATOM 300 CA LEU X 19 79.021 2.945 12.401 1.00 1.00 C ATOM 301 C LEU X 19 77.909 3.983 12.245 1.00 1.00 C ATOM 302 O LEU X 19 78.151 5.174 12.256 1.00 1.00 O ATOM 303 CB LEU X 19 79.453 2.445 11.020 1.00 1.00 C ATOM 304 CG LEU X 19 80.665 1.524 11.164 1.00 1.00 C ATOM 305 CD1 LEU X 19 80.997 0.898 9.807 1.00 1.00 C ATOM 306 CD2 LEU X 19 81.867 2.338 11.653 1.00 1.00 C ATOM 0 H LEU X 19 78.478 0.905 12.720 1.00 1.00 H new ATOM 0 HA LEU X 19 79.875 3.398 12.904 1.00 1.00 H new ATOM 0 HB2 LEU X 19 78.632 1.910 10.542 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.700 3.290 10.377 1.00 1.00 H new ATOM 0 HG LEU X 19 80.438 0.736 11.883 1.00 1.00 H new ATOM 0 HD11 LEU X 19 81.861 0.242 9.911 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.143 0.320 9.454 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.224 1.686 9.089 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.732 1.683 11.756 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.091 3.124 10.932 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.634 2.786 12.619 1.00 1.00 H new ATOM 318 N LYS X 20 76.690 3.541 12.100 1.00 1.00 N ATOM 319 CA LYS X 20 75.562 4.502 11.950 1.00 1.00 C ATOM 320 C LYS X 20 75.517 5.420 13.172 1.00 1.00 C ATOM 321 O LYS X 20 75.289 6.609 13.061 1.00 1.00 O ATOM 322 CB LYS X 20 74.246 3.731 11.841 1.00 1.00 C ATOM 323 CG LYS X 20 74.180 3.020 10.487 1.00 1.00 C ATOM 324 CD LYS X 20 72.834 2.306 10.348 1.00 1.00 C ATOM 325 CE LYS X 20 72.768 1.600 8.993 1.00 1.00 C ATOM 326 NZ LYS X 20 71.443 0.935 8.844 1.00 1.00 N ATOM 0 H LYS X 20 76.427 2.556 12.079 1.00 1.00 H new ATOM 0 HA LYS X 20 75.706 5.099 11.049 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.171 3.004 12.649 1.00 1.00 H new ATOM 0 HB3 LYS X 20 73.403 4.414 11.947 1.00 1.00 H new ATOM 0 HG2 LYS X 20 74.306 3.741 9.680 1.00 1.00 H new ATOM 0 HG3 LYS X 20 74.995 2.301 10.402 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.709 1.582 11.153 1.00 1.00 H new ATOM 0 HD3 LYS X 20 72.019 3.024 10.436 1.00 1.00 H new ATOM 0 HE2 LYS X 20 72.918 2.320 8.188 1.00 1.00 H new ATOM 0 HE3 LYS X 20 73.568 0.863 8.915 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 71.571 -0.000 8.407 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 71.004 0.823 9.780 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 70.828 1.518 8.241 1.00 1.00 H new ATOM 340 N THR X 21 75.734 4.878 14.338 1.00 1.00 N ATOM 341 CA THR X 21 75.711 5.718 15.567 1.00 1.00 C ATOM 342 C THR X 21 76.883 6.700 15.529 1.00 1.00 C ATOM 343 O THR X 21 76.803 7.798 16.043 1.00 1.00 O ATOM 344 CB THR X 21 75.836 4.822 16.801 1.00 1.00 C ATOM 345 OG1 THR X 21 77.043 4.077 16.721 1.00 1.00 O ATOM 346 CG2 THR X 21 74.645 3.863 16.859 1.00 1.00 C ATOM 0 H THR X 21 75.926 3.888 14.493 1.00 1.00 H new ATOM 0 HA THR X 21 74.772 6.270 15.615 1.00 1.00 H new ATOM 0 HB THR X 21 75.847 5.438 17.700 1.00 1.00 H new ATOM 0 HG1 THR X 21 77.366 4.075 15.796 1.00 1.00 H new ATOM 0 HG21 THR X 21 74.734 3.225 17.738 1.00 1.00 H new ATOM 0 HG22 THR X 21 73.719 4.436 16.919 1.00 1.00 H new ATOM 0 HG23 THR X 21 74.632 3.245 15.962 1.00 1.00 H new ATOM 354 N ARG X 22 77.972 6.316 14.921 1.00 1.00 N ATOM 355 CA ARG X 22 79.141 7.235 14.838 1.00 1.00 C ATOM 356 C ARG X 22 78.835 8.349 13.837 1.00 1.00 C ATOM 357 O ARG X 22 79.476 9.381 13.826 1.00 1.00 O ATOM 358 CB ARG X 22 80.372 6.454 14.373 1.00 1.00 C ATOM 359 CG ARG X 22 80.848 5.535 15.499 1.00 1.00 C ATOM 360 CD ARG X 22 82.035 4.703 15.011 1.00 1.00 C ATOM 361 NE ARG X 22 82.516 3.825 16.115 1.00 1.00 N ATOM 362 CZ ARG X 22 81.978 2.651 16.299 1.00 1.00 C ATOM 363 NH1 ARG X 22 81.013 2.245 15.520 1.00 1.00 N ATOM 364 NH2 ARG X 22 82.403 1.882 17.265 1.00 1.00 N ATOM 0 H ARG X 22 78.102 5.406 14.479 1.00 1.00 H new ATOM 0 HA ARG X 22 79.337 7.668 15.819 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.130 5.866 13.487 1.00 1.00 H new ATOM 0 HB3 ARG X 22 81.168 7.143 14.091 1.00 1.00 H new ATOM 0 HG2 ARG X 22 81.137 6.126 16.368 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.037 4.880 15.816 1.00 1.00 H new ATOM 0 HD2 ARG X 22 81.740 4.098 14.154 1.00 1.00 H new ATOM 0 HD3 ARG X 22 82.839 5.359 14.677 1.00 1.00 H new ATOM 0 HE ARG X 22 83.267 4.143 16.728 1.00 1.00 H new ATOM 0 HH11 ARG X 22 80.679 2.846 14.766 1.00 1.00 H new ATOM 0 HH12 ARG X 22 80.593 1.327 15.665 1.00 1.00 H new ATOM 0 HH21 ARG X 22 83.156 2.199 17.876 1.00 1.00 H new ATOM 0 HH22 ARG X 22 81.982 0.964 17.409 1.00 1.00 H new ATOM 378 N GLY X 23 77.864 8.147 12.990 1.00 1.00 N ATOM 379 CA GLY X 23 77.528 9.193 11.984 1.00 1.00 C ATOM 380 C GLY X 23 77.890 8.686 10.587 1.00 1.00 C ATOM 381 O GLY X 23 78.499 9.383 9.800 1.00 1.00 O ATOM 0 H GLY X 23 77.290 7.305 12.951 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.466 9.433 12.032 1.00 1.00 H new ATOM 0 HA3 GLY X 23 78.072 10.112 12.202 1.00 1.00 H new ATOM 385 N VAL X 24 77.520 7.473 10.274 1.00 1.00 N ATOM 386 CA VAL X 24 77.841 6.919 8.929 1.00 1.00 C ATOM 387 C VAL X 24 76.549 6.490 8.234 1.00 1.00 C ATOM 388 O VAL X 24 75.711 5.830 8.815 1.00 1.00 O ATOM 389 CB VAL X 24 78.763 5.709 9.084 1.00 1.00 C ATOM 390 CG1 VAL X 24 78.869 4.974 7.747 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.154 6.181 9.517 1.00 1.00 C ATOM 0 H VAL X 24 77.009 6.843 10.892 1.00 1.00 H new ATOM 0 HA VAL X 24 78.340 7.681 8.330 1.00 1.00 H new ATOM 0 HB VAL X 24 78.355 5.036 9.838 1.00 1.00 H new ATOM 0 HG11 VAL X 24 79.526 4.111 7.857 1.00 1.00 H new ATOM 0 HG12 VAL X 24 77.879 4.639 7.437 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.277 5.647 6.993 1.00 1.00 H new ATOM 0 HG21 VAL X 24 80.812 5.319 9.628 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.561 6.854 8.762 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.080 6.706 10.469 1.00 1.00 H new ATOM 401 N LYS X 25 76.377 6.860 6.994 1.00 1.00 N ATOM 402 CA LYS X 25 75.140 6.466 6.268 1.00 1.00 C ATOM 403 C LYS X 25 75.515 5.936 4.883 1.00 1.00 C ATOM 404 O LYS X 25 75.696 6.689 3.947 1.00 1.00 O ATOM 405 CB LYS X 25 74.227 7.686 6.118 1.00 1.00 C ATOM 406 CG LYS X 25 73.793 8.173 7.501 1.00 1.00 C ATOM 407 CD LYS X 25 72.890 9.399 7.352 1.00 1.00 C ATOM 408 CE LYS X 25 72.445 9.876 8.735 1.00 1.00 C ATOM 409 NZ LYS X 25 71.546 11.056 8.588 1.00 1.00 N ATOM 0 H LYS X 25 77.039 7.417 6.455 1.00 1.00 H new ATOM 0 HA LYS X 25 74.618 5.690 6.827 1.00 1.00 H new ATOM 0 HB2 LYS X 25 74.750 8.482 5.588 1.00 1.00 H new ATOM 0 HB3 LYS X 25 73.352 7.428 5.521 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.262 7.380 8.027 1.00 1.00 H new ATOM 0 HG3 LYS X 25 74.668 8.424 8.101 1.00 1.00 H new ATOM 0 HD2 LYS X 25 73.424 10.196 6.835 1.00 1.00 H new ATOM 0 HD3 LYS X 25 72.020 9.151 6.744 1.00 1.00 H new ATOM 0 HE2 LYS X 25 71.926 9.073 9.259 1.00 1.00 H new ATOM 0 HE3 LYS X 25 73.314 10.140 9.337 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 71.243 11.381 9.528 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 72.056 11.823 8.104 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 70.711 10.789 8.028 1.00 1.00 H new ATOM 423 N VAL X 26 75.635 4.643 4.747 1.00 1.00 N ATOM 424 CA VAL X 26 75.994 4.063 3.424 1.00 1.00 C ATOM 425 C VAL X 26 75.093 2.861 3.136 1.00 1.00 C ATOM 426 O VAL X 26 74.531 2.263 4.032 1.00 1.00 O ATOM 427 CB VAL X 26 77.456 3.614 3.442 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.359 4.822 3.699 1.00 1.00 C ATOM 429 CG2 VAL X 26 77.656 2.583 4.555 1.00 1.00 C ATOM 0 H VAL X 26 75.500 3.964 5.496 1.00 1.00 H new ATOM 0 HA VAL X 26 75.857 4.815 2.647 1.00 1.00 H new ATOM 0 HB VAL X 26 77.712 3.169 2.481 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.401 4.501 3.712 1.00 1.00 H new ATOM 0 HG12 VAL X 26 78.216 5.558 2.908 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.105 5.268 4.661 1.00 1.00 H new ATOM 0 HG21 VAL X 26 78.697 2.261 4.570 1.00 1.00 H new ATOM 0 HG22 VAL X 26 77.401 3.030 5.516 1.00 1.00 H new ATOM 0 HG23 VAL X 26 77.013 1.722 4.373 1.00 1.00 H new ATOM 439 N LYS X 27 74.950 2.502 1.889 1.00 1.00 N ATOM 440 CA LYS X 27 74.082 1.344 1.540 1.00 1.00 C ATOM 441 C LYS X 27 74.779 0.044 1.945 1.00 1.00 C ATOM 442 O LYS X 27 75.986 -0.073 1.871 1.00 1.00 O ATOM 443 CB LYS X 27 73.822 1.334 0.032 1.00 1.00 C ATOM 444 CG LYS X 27 72.987 2.558 -0.351 1.00 1.00 C ATOM 445 CD LYS X 27 72.697 2.530 -1.853 1.00 1.00 C ATOM 446 CE LYS X 27 71.854 3.749 -2.233 1.00 1.00 C ATOM 447 NZ LYS X 27 71.530 3.695 -3.687 1.00 1.00 N ATOM 0 H LYS X 27 75.398 2.962 1.097 1.00 1.00 H new ATOM 0 HA LYS X 27 73.134 1.430 2.071 1.00 1.00 H new ATOM 0 HB2 LYS X 27 74.767 1.341 -0.511 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.299 0.421 -0.251 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.053 2.564 0.210 1.00 1.00 H new ATOM 0 HG3 LYS X 27 73.521 3.472 -0.090 1.00 1.00 H new ATOM 0 HD2 LYS X 27 73.631 2.531 -2.415 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.169 1.613 -2.115 1.00 1.00 H new ATOM 0 HE2 LYS X 27 70.936 3.767 -1.645 1.00 1.00 H new ATOM 0 HE3 LYS X 27 72.397 4.666 -2.004 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 70.957 4.523 -3.946 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 72.411 3.697 -4.239 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 70.995 2.827 -3.892 1.00 1.00 H new ATOM 461 N TYR X 28 74.030 -0.935 2.374 1.00 1.00 N ATOM 462 CA TYR X 28 74.654 -2.226 2.774 1.00 1.00 C ATOM 463 C TYR X 28 75.455 -2.785 1.598 1.00 1.00 C ATOM 464 O TYR X 28 76.477 -3.419 1.774 1.00 1.00 O ATOM 465 CB TYR X 28 73.560 -3.221 3.169 1.00 1.00 C ATOM 466 CG TYR X 28 74.194 -4.505 3.651 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.699 -4.590 4.953 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.276 -5.609 2.793 1.00 1.00 C ATOM 469 CE1 TYR X 28 75.287 -5.781 5.399 1.00 1.00 C ATOM 470 CE2 TYR X 28 74.863 -6.799 3.240 1.00 1.00 C ATOM 471 CZ TYR X 28 75.369 -6.885 4.543 1.00 1.00 C ATOM 472 OH TYR X 28 75.948 -8.058 4.981 1.00 1.00 O ATOM 0 H TYR X 28 73.015 -0.896 2.464 1.00 1.00 H new ATOM 0 HA TYR X 28 75.318 -2.064 3.623 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.934 -2.796 3.953 1.00 1.00 H new ATOM 0 HB3 TYR X 28 72.911 -3.421 2.316 1.00 1.00 H new ATOM 0 HD1 TYR X 28 74.636 -3.738 5.614 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.887 -5.542 1.788 1.00 1.00 H new ATOM 0 HE1 TYR X 28 75.677 -5.847 6.404 1.00 1.00 H new ATOM 0 HE2 TYR X 28 74.926 -7.651 2.579 1.00 1.00 H new ATOM 0 HH TYR X 28 75.922 -8.724 4.262 1.00 1.00 H new ATOM 482 N ALA X 29 74.998 -2.555 0.396 1.00 1.00 N ATOM 483 CA ALA X 29 75.733 -3.072 -0.792 1.00 1.00 C ATOM 484 C ALA X 29 77.159 -2.520 -0.788 1.00 1.00 C ATOM 485 O ALA X 29 78.091 -3.182 -1.199 1.00 1.00 O ATOM 486 CB ALA X 29 75.016 -2.624 -2.069 1.00 1.00 C ATOM 0 H ALA X 29 74.148 -2.032 0.187 1.00 1.00 H new ATOM 0 HA ALA X 29 75.765 -4.161 -0.755 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.553 -3.002 -2.939 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.999 -3.016 -2.072 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.985 -1.535 -2.106 1.00 1.00 H new ATOM 492 N ASP X 30 77.336 -1.313 -0.328 1.00 1.00 N ATOM 493 CA ASP X 30 78.704 -0.725 -0.290 1.00 1.00 C ATOM 494 C ASP X 30 79.608 -1.597 0.583 1.00 1.00 C ATOM 495 O ASP X 30 80.755 -1.836 0.262 1.00 1.00 O ATOM 496 CB ASP X 30 78.638 0.687 0.296 1.00 1.00 C ATOM 497 CG ASP X 30 77.929 1.616 -0.690 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.745 1.212 -1.827 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.583 2.716 -0.294 1.00 1.00 O ATOM 0 H ASP X 30 76.593 -0.709 0.023 1.00 1.00 H new ATOM 0 HA ASP X 30 79.108 -0.679 -1.301 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.105 0.673 1.247 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.644 1.055 0.500 1.00 1.00 H new ATOM 504 N LEU X 31 79.100 -2.075 1.685 1.00 1.00 N ATOM 505 CA LEU X 31 79.927 -2.941 2.572 1.00 1.00 C ATOM 506 C LEU X 31 80.333 -4.205 1.811 1.00 1.00 C ATOM 507 O LEU X 31 81.469 -4.633 1.860 1.00 1.00 O ATOM 508 CB LEU X 31 79.115 -3.328 3.809 1.00 1.00 C ATOM 509 CG LEU X 31 79.206 -2.211 4.849 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.633 -2.133 5.393 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.835 -0.877 4.197 1.00 1.00 C ATOM 0 H LEU X 31 78.148 -1.904 2.010 1.00 1.00 H new ATOM 0 HA LEU X 31 80.821 -2.399 2.881 1.00 1.00 H new ATOM 0 HB2 LEU X 31 78.074 -3.500 3.535 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.493 -4.261 4.228 1.00 1.00 H new ATOM 0 HG LEU X 31 78.517 -2.420 5.668 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.697 -1.336 6.134 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.898 -3.083 5.857 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.323 -1.924 4.576 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.899 -0.080 4.937 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.524 -0.668 3.378 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.817 -0.932 3.810 1.00 1.00 H new ATOM 523 N LEU X 32 79.412 -4.806 1.109 1.00 1.00 N ATOM 524 CA LEU X 32 79.745 -6.042 0.346 1.00 1.00 C ATOM 525 C LEU X 32 80.771 -5.708 -0.738 1.00 1.00 C ATOM 526 O LEU X 32 81.714 -6.442 -0.959 1.00 1.00 O ATOM 527 CB LEU X 32 78.475 -6.595 -0.305 1.00 1.00 C ATOM 528 CG LEU X 32 77.538 -7.134 0.778 1.00 1.00 C ATOM 529 CD1 LEU X 32 76.185 -7.483 0.157 1.00 1.00 C ATOM 530 CD2 LEU X 32 78.150 -8.389 1.403 1.00 1.00 C ATOM 0 H LEU X 32 78.444 -4.495 1.031 1.00 1.00 H new ATOM 0 HA LEU X 32 80.161 -6.789 1.023 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.976 -5.812 -0.876 1.00 1.00 H new ATOM 0 HB3 LEU X 32 78.730 -7.388 -1.008 1.00 1.00 H new ATOM 0 HG LEU X 32 77.399 -6.374 1.547 1.00 1.00 H new ATOM 0 HD11 LEU X 32 75.518 -7.867 0.929 1.00 1.00 H new ATOM 0 HD12 LEU X 32 75.748 -6.589 -0.288 1.00 1.00 H new ATOM 0 HD13 LEU X 32 76.323 -8.242 -0.613 1.00 1.00 H new ATOM 0 HD21 LEU X 32 77.483 -8.773 2.175 1.00 1.00 H new ATOM 0 HD22 LEU X 32 78.290 -9.148 0.633 1.00 1.00 H new ATOM 0 HD23 LEU X 32 79.114 -8.141 1.847 1.00 1.00 H new ATOM 542 N LYS X 33 80.597 -4.608 -1.418 1.00 1.00 N ATOM 543 CA LYS X 33 81.562 -4.234 -2.489 1.00 1.00 C ATOM 544 C LYS X 33 82.926 -3.934 -1.861 1.00 1.00 C ATOM 545 O LYS X 33 83.958 -4.252 -2.418 1.00 1.00 O ATOM 546 CB LYS X 33 81.053 -2.992 -3.224 1.00 1.00 C ATOM 547 CG LYS X 33 79.806 -3.353 -4.034 1.00 1.00 C ATOM 548 CD LYS X 33 79.261 -2.098 -4.719 1.00 1.00 C ATOM 549 CE LYS X 33 78.089 -2.479 -5.625 1.00 1.00 C ATOM 550 NZ LYS X 33 77.559 -1.255 -6.294 1.00 1.00 N ATOM 0 H LYS X 33 79.828 -3.952 -1.278 1.00 1.00 H new ATOM 0 HA LYS X 33 81.660 -5.058 -3.196 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.819 -2.203 -2.509 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.829 -2.604 -3.884 1.00 1.00 H new ATOM 0 HG2 LYS X 33 80.050 -4.110 -4.779 1.00 1.00 H new ATOM 0 HG3 LYS X 33 79.047 -3.782 -3.380 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.936 -1.375 -3.971 1.00 1.00 H new ATOM 0 HD3 LYS X 33 80.047 -1.620 -5.304 1.00 1.00 H new ATOM 0 HE2 LYS X 33 78.414 -3.203 -6.372 1.00 1.00 H new ATOM 0 HE3 LYS X 33 77.303 -2.956 -5.039 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.959 -1.531 -7.098 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.996 -0.704 -5.615 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 78.352 -0.676 -6.636 1.00 1.00 H new ATOM 564 N PHE X 34 82.937 -3.327 -0.706 1.00 1.00 N ATOM 565 CA PHE X 34 84.235 -2.995 -0.052 1.00 1.00 C ATOM 566 C PHE X 34 85.033 -4.281 0.176 1.00 1.00 C ATOM 567 O PHE X 34 86.189 -4.376 -0.183 1.00 1.00 O ATOM 568 CB PHE X 34 83.969 -2.314 1.293 1.00 1.00 C ATOM 569 CG PHE X 34 85.234 -2.320 2.118 1.00 1.00 C ATOM 570 CD1 PHE X 34 86.370 -1.640 1.663 1.00 1.00 C ATOM 571 CD2 PHE X 34 85.269 -3.005 3.338 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.542 -1.646 2.428 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.442 -3.010 4.103 1.00 1.00 C ATOM 574 CZ PHE X 34 87.578 -2.331 3.648 1.00 1.00 C ATOM 0 H PHE X 34 82.105 -3.047 -0.187 1.00 1.00 H new ATOM 0 HA PHE X 34 84.804 -2.322 -0.693 1.00 1.00 H new ATOM 0 HB2 PHE X 34 83.631 -1.290 1.134 1.00 1.00 H new ATOM 0 HB3 PHE X 34 83.172 -2.834 1.825 1.00 1.00 H new ATOM 0 HD1 PHE X 34 86.342 -1.111 0.722 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.392 -3.529 3.689 1.00 1.00 H new ATOM 0 HE1 PHE X 34 88.419 -1.122 2.077 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.470 -3.538 5.045 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.482 -2.336 4.238 1.00 1.00 H new ATOM 584 N PHE X 35 84.425 -5.269 0.772 1.00 1.00 N ATOM 585 CA PHE X 35 85.153 -6.543 1.029 1.00 1.00 C ATOM 586 C PHE X 35 85.543 -7.184 -0.305 1.00 1.00 C ATOM 587 O PHE X 35 86.637 -7.687 -0.466 1.00 1.00 O ATOM 588 CB PHE X 35 84.247 -7.502 1.805 1.00 1.00 C ATOM 589 CG PHE X 35 84.187 -7.075 3.252 1.00 1.00 C ATOM 590 CD1 PHE X 35 85.320 -7.196 4.066 1.00 1.00 C ATOM 591 CD2 PHE X 35 82.998 -6.556 3.779 1.00 1.00 C ATOM 592 CE1 PHE X 35 85.263 -6.799 5.408 1.00 1.00 C ATOM 593 CE2 PHE X 35 82.942 -6.159 5.120 1.00 1.00 C ATOM 594 CZ PHE X 35 84.075 -6.281 5.935 1.00 1.00 C ATOM 0 H PHE X 35 83.457 -5.249 1.092 1.00 1.00 H new ATOM 0 HA PHE X 35 86.050 -6.336 1.613 1.00 1.00 H new ATOM 0 HB2 PHE X 35 83.246 -7.504 1.373 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.628 -8.520 1.730 1.00 1.00 H new ATOM 0 HD1 PHE X 35 86.237 -7.595 3.659 1.00 1.00 H new ATOM 0 HD2 PHE X 35 82.124 -6.462 3.151 1.00 1.00 H new ATOM 0 HE1 PHE X 35 86.136 -6.893 6.036 1.00 1.00 H new ATOM 0 HE2 PHE X 35 82.025 -5.759 5.527 1.00 1.00 H new ATOM 0 HZ PHE X 35 84.031 -5.975 6.970 1.00 1.00 H new ATOM 604 N ASP X 36 84.656 -7.173 -1.261 1.00 1.00 N ATOM 605 CA ASP X 36 84.977 -7.786 -2.580 1.00 1.00 C ATOM 606 C ASP X 36 86.114 -7.002 -3.238 1.00 1.00 C ATOM 607 O ASP X 36 86.990 -7.567 -3.864 1.00 1.00 O ATOM 608 CB ASP X 36 83.739 -7.746 -3.480 1.00 1.00 C ATOM 609 CG ASP X 36 82.852 -8.956 -3.184 1.00 1.00 C ATOM 610 OD1 ASP X 36 83.263 -9.787 -2.392 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.777 -9.030 -3.756 1.00 1.00 O ATOM 0 H ASP X 36 83.724 -6.766 -1.186 1.00 1.00 H new ATOM 0 HA ASP X 36 85.283 -8.822 -2.436 1.00 1.00 H new ATOM 0 HB2 ASP X 36 83.183 -6.824 -3.310 1.00 1.00 H new ATOM 0 HB3 ASP X 36 84.038 -7.749 -4.528 1.00 1.00 H new ATOM 616 N PHE X 37 86.105 -5.705 -3.104 1.00 1.00 N ATOM 617 CA PHE X 37 87.180 -4.882 -3.725 1.00 1.00 C ATOM 618 C PHE X 37 88.530 -5.257 -3.111 1.00 1.00 C ATOM 619 O PHE X 37 89.507 -5.454 -3.807 1.00 1.00 O ATOM 620 CB PHE X 37 86.900 -3.399 -3.472 1.00 1.00 C ATOM 621 CG PHE X 37 87.901 -2.560 -4.229 1.00 1.00 C ATOM 622 CD1 PHE X 37 87.845 -2.492 -5.627 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.886 -1.848 -3.533 1.00 1.00 C ATOM 624 CE1 PHE X 37 88.774 -1.715 -6.328 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.815 -1.070 -4.235 1.00 1.00 C ATOM 626 CZ PHE X 37 89.759 -1.003 -5.632 1.00 1.00 C ATOM 0 H PHE X 37 85.398 -5.179 -2.590 1.00 1.00 H new ATOM 0 HA PHE X 37 87.204 -5.069 -4.799 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.887 -3.150 -3.789 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.962 -3.183 -2.405 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.085 -3.039 -6.164 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.929 -1.899 -2.455 1.00 1.00 H new ATOM 0 HE1 PHE X 37 88.731 -1.664 -7.406 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.575 -0.521 -3.698 1.00 1.00 H new ATOM 0 HZ PHE X 37 90.475 -0.402 -6.173 1.00 1.00 H new ATOM 636 N VAL X 38 88.595 -5.356 -1.811 1.00 1.00 N ATOM 637 CA VAL X 38 89.885 -5.704 -1.154 1.00 1.00 C ATOM 638 C VAL X 38 90.347 -7.084 -1.628 1.00 1.00 C ATOM 639 O VAL X 38 91.476 -7.262 -2.040 1.00 1.00 O ATOM 640 CB VAL X 38 89.693 -5.725 0.364 1.00 1.00 C ATOM 641 CG1 VAL X 38 90.989 -6.182 1.036 1.00 1.00 C ATOM 642 CG2 VAL X 38 89.335 -4.320 0.852 1.00 1.00 C ATOM 0 H VAL X 38 87.810 -5.211 -1.176 1.00 1.00 H new ATOM 0 HA VAL X 38 90.638 -4.961 -1.417 1.00 1.00 H new ATOM 0 HB VAL X 38 88.888 -6.415 0.619 1.00 1.00 H new ATOM 0 HG11 VAL X 38 90.852 -6.197 2.117 1.00 1.00 H new ATOM 0 HG12 VAL X 38 91.246 -7.183 0.689 1.00 1.00 H new ATOM 0 HG13 VAL X 38 91.794 -5.492 0.781 1.00 1.00 H new ATOM 0 HG21 VAL X 38 89.198 -4.334 1.933 1.00 1.00 H new ATOM 0 HG22 VAL X 38 90.140 -3.630 0.597 1.00 1.00 H new ATOM 0 HG23 VAL X 38 88.412 -3.993 0.374 1.00 1.00 H new ATOM 652 N LYS X 39 89.484 -8.061 -1.575 1.00 1.00 N ATOM 653 CA LYS X 39 89.876 -9.426 -2.027 1.00 1.00 C ATOM 654 C LYS X 39 90.205 -9.391 -3.520 1.00 1.00 C ATOM 655 O LYS X 39 91.040 -10.131 -4.001 1.00 1.00 O ATOM 656 CB LYS X 39 88.720 -10.397 -1.781 1.00 1.00 C ATOM 657 CG LYS X 39 88.499 -10.558 -0.276 1.00 1.00 C ATOM 658 CD LYS X 39 87.356 -11.545 -0.029 1.00 1.00 C ATOM 659 CE LYS X 39 87.115 -11.684 1.475 1.00 1.00 C ATOM 660 NZ LYS X 39 85.960 -12.595 1.711 1.00 1.00 N ATOM 0 H LYS X 39 88.525 -7.973 -1.239 1.00 1.00 H new ATOM 0 HA LYS X 39 90.752 -9.757 -1.469 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.812 -10.025 -2.255 1.00 1.00 H new ATOM 0 HB3 LYS X 39 88.941 -11.364 -2.232 1.00 1.00 H new ATOM 0 HG2 LYS X 39 89.412 -10.916 0.200 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.263 -9.593 0.173 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.448 -11.197 -0.522 1.00 1.00 H new ATOM 0 HD3 LYS X 39 87.601 -12.516 -0.460 1.00 1.00 H new ATOM 0 HE2 LYS X 39 88.007 -12.077 1.962 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.916 -10.706 1.914 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 85.796 -12.690 2.734 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 85.110 -12.202 1.259 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 86.167 -13.530 1.306 1.00 1.00 H new ATOM 674 N ASP X 40 89.553 -8.535 -4.258 1.00 1.00 N ATOM 675 CA ASP X 40 89.830 -8.444 -5.720 1.00 1.00 C ATOM 676 C ASP X 40 91.216 -7.838 -5.945 1.00 1.00 C ATOM 677 O ASP X 40 91.804 -7.986 -6.999 1.00 1.00 O ATOM 678 CB ASP X 40 88.771 -7.559 -6.382 1.00 1.00 C ATOM 679 CG ASP X 40 87.534 -8.397 -6.707 1.00 1.00 C ATOM 680 OD1 ASP X 40 87.698 -9.568 -7.007 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.443 -7.852 -6.651 1.00 1.00 O ATOM 0 H ASP X 40 88.839 -7.894 -3.911 1.00 1.00 H new ATOM 0 HA ASP X 40 89.799 -9.442 -6.158 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.502 -6.737 -5.718 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.172 -7.115 -7.293 1.00 1.00 H new ATOM 686 N THR X 41 91.745 -7.155 -4.967 1.00 1.00 N ATOM 687 CA THR X 41 93.068 -6.493 -5.151 1.00 1.00 C ATOM 688 C THR X 41 94.096 -7.529 -5.607 1.00 1.00 C ATOM 689 O THR X 41 94.689 -7.410 -6.662 1.00 1.00 O ATOM 690 CB THR X 41 93.518 -5.873 -3.827 1.00 1.00 C ATOM 691 OG1 THR X 41 92.421 -5.204 -3.221 1.00 1.00 O ATOM 692 CG2 THR X 41 94.648 -4.875 -4.087 1.00 1.00 C ATOM 0 H THR X 41 91.319 -7.027 -4.049 1.00 1.00 H new ATOM 0 HA THR X 41 92.982 -5.711 -5.905 1.00 1.00 H new ATOM 0 HB THR X 41 93.876 -6.658 -3.161 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.113 -5.717 -2.445 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.968 -4.434 -3.143 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.489 -5.390 -4.550 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.293 -4.089 -4.753 1.00 1.00 H new ATOM 700 N CYS X 42 94.314 -8.549 -4.821 1.00 1.00 N ATOM 701 CA CYS X 42 95.354 -9.555 -5.174 1.00 1.00 C ATOM 702 C CYS X 42 94.678 -10.854 -5.617 1.00 1.00 C ATOM 703 O CYS X 42 94.831 -11.292 -6.740 1.00 1.00 O ATOM 704 CB CYS X 42 96.236 -9.829 -3.954 1.00 1.00 C ATOM 705 SG CYS X 42 97.867 -9.087 -4.211 1.00 1.00 S ATOM 0 H CYS X 42 93.816 -8.728 -3.949 1.00 1.00 H new ATOM 0 HA CYS X 42 95.969 -9.170 -5.987 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.774 -9.416 -3.057 1.00 1.00 H new ATOM 0 HB3 CYS X 42 96.334 -10.903 -3.796 1.00 1.00 H new ATOM 0 HG CYS X 42 98.617 -9.317 -3.174 1.00 1.00 H new ATOM 711 N PRO X 43 93.934 -11.462 -4.735 1.00 1.00 N ATOM 712 CA PRO X 43 93.256 -12.760 -5.005 1.00 1.00 C ATOM 713 C PRO X 43 92.652 -12.816 -6.412 1.00 1.00 C ATOM 714 O PRO X 43 92.742 -13.815 -7.098 1.00 1.00 O ATOM 715 CB PRO X 43 92.155 -12.819 -3.946 1.00 1.00 C ATOM 716 CG PRO X 43 92.651 -11.987 -2.809 1.00 1.00 C ATOM 717 CD PRO X 43 93.660 -10.972 -3.375 1.00 1.00 C ATOM 0 HA PRO X 43 93.950 -13.599 -4.958 1.00 1.00 H new ATOM 0 HB2 PRO X 43 91.214 -12.430 -4.336 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.969 -13.845 -3.630 1.00 1.00 H new ATOM 0 HG2 PRO X 43 91.823 -11.472 -2.323 1.00 1.00 H new ATOM 0 HG3 PRO X 43 93.123 -12.615 -2.054 1.00 1.00 H new ATOM 0 HD2 PRO X 43 93.246 -9.964 -3.390 1.00 1.00 H new ATOM 0 HD3 PRO X 43 94.568 -10.935 -2.774 1.00 1.00 H new ATOM 725 N TRP X 44 92.039 -11.749 -6.848 1.00 1.00 N ATOM 726 CA TRP X 44 91.439 -11.736 -8.212 1.00 1.00 C ATOM 727 C TRP X 44 91.650 -10.361 -8.852 1.00 1.00 C ATOM 728 O TRP X 44 92.511 -9.604 -8.450 1.00 1.00 O ATOM 729 CB TRP X 44 89.940 -12.026 -8.110 1.00 1.00 C ATOM 730 CG TRP X 44 89.725 -13.230 -7.252 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.233 -14.460 -7.495 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.956 -13.341 -6.019 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.825 -15.319 -6.491 1.00 1.00 N ATOM 734 CE2 TRP X 44 89.035 -14.676 -5.557 1.00 1.00 C ATOM 735 CE3 TRP X 44 88.205 -12.422 -5.265 1.00 1.00 C ATOM 736 CZ2 TRP X 44 88.392 -15.084 -4.388 1.00 1.00 C ATOM 737 CZ3 TRP X 44 87.556 -12.829 -4.088 1.00 1.00 C ATOM 738 CH2 TRP X 44 87.650 -14.157 -3.651 1.00 1.00 C ATOM 0 H TRP X 44 91.928 -10.885 -6.318 1.00 1.00 H new ATOM 0 HA TRP X 44 91.918 -12.498 -8.827 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.420 -11.167 -7.687 1.00 1.00 H new ATOM 0 HB3 TRP X 44 89.522 -12.194 -9.103 1.00 1.00 H new ATOM 0 HD1 TRP X 44 90.856 -14.727 -8.336 1.00 1.00 H new ATOM 0 HE1 TRP X 44 90.076 -16.306 -6.445 1.00 1.00 H new ATOM 0 HE3 TRP X 44 88.127 -11.396 -5.593 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 88.467 -16.109 -4.055 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 86.982 -12.115 -3.517 1.00 1.00 H new ATOM 0 HH2 TRP X 44 87.149 -14.464 -2.745 1.00 1.00 H new ATOM 749 N PHE X 45 90.871 -10.034 -9.845 1.00 1.00 N ATOM 750 CA PHE X 45 91.016 -8.706 -10.507 1.00 1.00 C ATOM 751 C PHE X 45 89.893 -8.507 -11.529 1.00 1.00 C ATOM 752 O PHE X 45 90.135 -8.162 -12.668 1.00 1.00 O ATOM 753 CB PHE X 45 92.368 -8.637 -11.220 1.00 1.00 C ATOM 754 CG PHE X 45 92.963 -7.260 -11.042 1.00 1.00 C ATOM 755 CD1 PHE X 45 92.539 -6.203 -11.857 1.00 1.00 C ATOM 756 CD2 PHE X 45 93.938 -7.039 -10.061 1.00 1.00 C ATOM 757 CE1 PHE X 45 93.090 -4.927 -11.691 1.00 1.00 C ATOM 758 CE2 PHE X 45 94.489 -5.763 -9.895 1.00 1.00 C ATOM 759 CZ PHE X 45 94.065 -4.706 -10.710 1.00 1.00 C ATOM 0 H PHE X 45 90.138 -10.631 -10.228 1.00 1.00 H new ATOM 0 HA PHE X 45 90.958 -7.922 -9.752 1.00 1.00 H new ATOM 0 HB2 PHE X 45 93.043 -9.391 -10.816 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.243 -8.856 -12.280 1.00 1.00 H new ATOM 0 HD1 PHE X 45 91.787 -6.372 -12.613 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.265 -7.854 -9.432 1.00 1.00 H new ATOM 0 HE1 PHE X 45 92.763 -4.112 -12.320 1.00 1.00 H new ATOM 0 HE2 PHE X 45 95.241 -5.594 -9.139 1.00 1.00 H new ATOM 0 HZ PHE X 45 94.489 -3.721 -10.582 1.00 1.00 H new ATOM 769 N PRO X 46 88.673 -8.729 -11.122 1.00 1.00 N ATOM 770 CA PRO X 46 87.482 -8.560 -12.008 1.00 1.00 C ATOM 771 C PRO X 46 87.196 -7.089 -12.324 1.00 1.00 C ATOM 772 O PRO X 46 87.732 -6.194 -11.700 1.00 1.00 O ATOM 773 CB PRO X 46 86.327 -9.170 -11.207 1.00 1.00 C ATOM 774 CG PRO X 46 86.750 -9.112 -9.776 1.00 1.00 C ATOM 775 CD PRO X 46 88.293 -9.166 -9.772 1.00 1.00 C ATOM 0 HA PRO X 46 87.635 -9.038 -12.976 1.00 1.00 H new ATOM 0 HB2 PRO X 46 85.404 -8.612 -11.365 1.00 1.00 H new ATOM 0 HB3 PRO X 46 86.136 -10.197 -11.517 1.00 1.00 H new ATOM 0 HG2 PRO X 46 86.393 -8.197 -9.303 1.00 1.00 H new ATOM 0 HG3 PRO X 46 86.331 -9.947 -9.214 1.00 1.00 H new ATOM 0 HD2 PRO X 46 88.712 -8.511 -9.009 1.00 1.00 H new ATOM 0 HD3 PRO X 46 88.656 -10.172 -9.562 1.00 1.00 H new ATOM 783 N GLN X 47 86.357 -6.832 -13.289 1.00 1.00 N ATOM 784 CA GLN X 47 86.032 -5.420 -13.640 1.00 1.00 C ATOM 785 C GLN X 47 85.431 -4.711 -12.424 1.00 1.00 C ATOM 786 O GLN X 47 84.632 -5.271 -11.700 1.00 1.00 O ATOM 787 CB GLN X 47 85.025 -5.400 -14.792 1.00 1.00 C ATOM 788 CG GLN X 47 85.661 -6.023 -16.036 1.00 1.00 C ATOM 789 CD GLN X 47 86.825 -5.150 -16.506 1.00 1.00 C ATOM 790 OE1 GLN X 47 86.684 -3.951 -16.644 1.00 1.00 O ATOM 791 NE2 GLN X 47 87.980 -5.703 -16.758 1.00 1.00 N ATOM 0 H GLN X 47 85.882 -7.539 -13.850 1.00 1.00 H new ATOM 0 HA GLN X 47 86.943 -4.905 -13.943 1.00 1.00 H new ATOM 0 HB2 GLN X 47 84.127 -5.952 -14.514 1.00 1.00 H new ATOM 0 HB3 GLN X 47 84.717 -4.376 -15.002 1.00 1.00 H new ATOM 0 HG2 GLN X 47 86.015 -7.029 -15.811 1.00 1.00 H new ATOM 0 HG3 GLN X 47 84.919 -6.116 -16.829 1.00 1.00 H new ATOM 0 HE21 GLN X 47 88.100 -6.709 -16.643 1.00 1.00 H new ATOM 0 HE22 GLN X 47 88.763 -5.129 -17.070 1.00 1.00 H new ATOM 800 N GLU X 48 85.813 -3.485 -12.189 1.00 1.00 N ATOM 801 CA GLU X 48 85.271 -2.745 -11.014 1.00 1.00 C ATOM 802 C GLU X 48 83.864 -2.231 -11.329 1.00 1.00 C ATOM 803 O GLU X 48 83.605 -1.719 -12.400 1.00 1.00 O ATOM 804 CB GLU X 48 86.184 -1.561 -10.691 1.00 1.00 C ATOM 805 CG GLU X 48 87.538 -2.079 -10.202 1.00 1.00 C ATOM 806 CD GLU X 48 88.482 -0.897 -9.969 1.00 1.00 C ATOM 807 OE1 GLU X 48 88.063 0.225 -10.200 1.00 1.00 O ATOM 808 OE2 GLU X 48 89.608 -1.135 -9.564 1.00 1.00 O ATOM 0 H GLU X 48 86.478 -2.964 -12.761 1.00 1.00 H new ATOM 0 HA GLU X 48 85.226 -3.417 -10.157 1.00 1.00 H new ATOM 0 HB2 GLU X 48 86.319 -0.940 -11.576 1.00 1.00 H new ATOM 0 HB3 GLU X 48 85.726 -0.933 -9.927 1.00 1.00 H new ATOM 0 HG2 GLU X 48 87.411 -2.645 -9.279 1.00 1.00 H new ATOM 0 HG3 GLU X 48 87.966 -2.761 -10.937 1.00 1.00 H new ATOM 815 N GLY X 49 82.951 -2.371 -10.406 1.00 1.00 N ATOM 816 CA GLY X 49 81.560 -1.898 -10.656 1.00 1.00 C ATOM 817 C GLY X 49 81.385 -0.484 -10.100 1.00 1.00 C ATOM 818 O GLY X 49 82.327 0.135 -9.650 1.00 1.00 O ATOM 0 H GLY X 49 83.109 -2.792 -9.490 1.00 1.00 H new ATOM 0 HA2 GLY X 49 81.350 -1.906 -11.726 1.00 1.00 H new ATOM 0 HA3 GLY X 49 80.846 -2.574 -10.186 1.00 1.00 H new ATOM 822 N THR X 50 80.187 0.033 -10.124 1.00 1.00 N ATOM 823 CA THR X 50 79.962 1.408 -9.596 1.00 1.00 C ATOM 824 C THR X 50 80.203 1.415 -8.084 1.00 1.00 C ATOM 825 O THR X 50 79.850 0.485 -7.386 1.00 1.00 O ATOM 826 CB THR X 50 78.523 1.839 -9.886 1.00 1.00 C ATOM 827 OG1 THR X 50 78.404 2.191 -11.257 1.00 1.00 O ATOM 828 CG2 THR X 50 78.163 3.043 -9.014 1.00 1.00 C ATOM 0 H THR X 50 79.356 -0.436 -10.485 1.00 1.00 H new ATOM 0 HA THR X 50 80.651 2.101 -10.079 1.00 1.00 H new ATOM 0 HB THR X 50 77.844 1.016 -9.661 1.00 1.00 H new ATOM 0 HG1 THR X 50 77.482 2.466 -11.445 1.00 1.00 H new ATOM 0 HG21 THR X 50 77.138 3.349 -9.222 1.00 1.00 H new ATOM 0 HG22 THR X 50 78.255 2.771 -7.962 1.00 1.00 H new ATOM 0 HG23 THR X 50 78.840 3.868 -9.236 1.00 1.00 H new ATOM 836 N ILE X 51 80.799 2.456 -7.575 1.00 1.00 N ATOM 837 CA ILE X 51 81.060 2.522 -6.109 1.00 1.00 C ATOM 838 C ILE X 51 80.509 3.835 -5.549 1.00 1.00 C ATOM 839 O ILE X 51 80.711 4.894 -6.110 1.00 1.00 O ATOM 840 CB ILE X 51 82.568 2.453 -5.858 1.00 1.00 C ATOM 841 CG1 ILE X 51 82.833 1.710 -4.547 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.136 3.870 -5.764 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.027 2.358 -3.420 1.00 1.00 C ATOM 0 H ILE X 51 81.117 3.264 -8.110 1.00 1.00 H new ATOM 0 HA ILE X 51 80.569 1.684 -5.614 1.00 1.00 H new ATOM 0 HB ILE X 51 83.049 1.923 -6.680 1.00 1.00 H new ATOM 0 HG12 ILE X 51 82.556 0.661 -4.649 1.00 1.00 H new ATOM 0 HG13 ILE X 51 83.897 1.737 -4.310 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.210 3.820 -5.585 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.948 4.400 -6.698 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.656 4.401 -4.942 1.00 1.00 H new ATOM 0 HD11 ILE X 51 82.216 1.828 -2.486 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.325 3.401 -3.312 1.00 1.00 H new ATOM 0 HD13 ILE X 51 80.964 2.307 -3.657 1.00 1.00 H new ATOM 855 N ASP X 52 79.814 3.775 -4.447 1.00 1.00 N ATOM 856 CA ASP X 52 79.236 5.016 -3.857 1.00 1.00 C ATOM 857 C ASP X 52 80.363 5.957 -3.424 1.00 1.00 C ATOM 858 O ASP X 52 81.349 5.535 -2.851 1.00 1.00 O ATOM 859 CB ASP X 52 78.381 4.651 -2.640 1.00 1.00 C ATOM 860 CG ASP X 52 77.105 3.945 -3.104 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.800 4.029 -4.281 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.457 3.331 -2.273 1.00 1.00 O ATOM 0 H ASP X 52 79.621 2.918 -3.928 1.00 1.00 H new ATOM 0 HA ASP X 52 78.617 5.515 -4.603 1.00 1.00 H new ATOM 0 HB2 ASP X 52 78.944 4.003 -1.968 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.128 5.550 -2.078 1.00 1.00 H new ATOM 867 N ILE X 53 80.228 7.226 -3.691 1.00 1.00 N ATOM 868 CA ILE X 53 81.296 8.187 -3.291 1.00 1.00 C ATOM 869 C ILE X 53 81.306 8.333 -1.767 1.00 1.00 C ATOM 870 O ILE X 53 82.300 8.708 -1.177 1.00 1.00 O ATOM 871 CB ILE X 53 81.021 9.550 -3.930 1.00 1.00 C ATOM 872 CG1 ILE X 53 80.935 9.392 -5.451 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.156 10.516 -3.584 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.450 10.702 -6.074 1.00 1.00 C ATOM 0 H ILE X 53 79.427 7.640 -4.168 1.00 1.00 H new ATOM 0 HA ILE X 53 82.264 7.815 -3.628 1.00 1.00 H new ATOM 0 HB ILE X 53 80.079 9.945 -3.550 1.00 1.00 H new ATOM 0 HG12 ILE X 53 81.911 9.124 -5.855 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.252 8.581 -5.705 1.00 1.00 H new ATOM 0 HG21 ILE X 53 81.959 11.487 -4.040 1.00 1.00 H new ATOM 0 HG22 ILE X 53 82.220 10.629 -2.502 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.098 10.121 -3.964 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.389 10.589 -7.156 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.465 10.950 -5.679 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.150 11.501 -5.831 1.00 1.00 H new ATOM 886 N LYS X 54 80.208 8.040 -1.125 1.00 1.00 N ATOM 887 CA LYS X 54 80.156 8.172 0.359 1.00 1.00 C ATOM 888 C LYS X 54 81.115 7.163 0.993 1.00 1.00 C ATOM 889 O LYS X 54 81.791 7.455 1.958 1.00 1.00 O ATOM 890 CB LYS X 54 78.731 7.900 0.847 1.00 1.00 C ATOM 891 CG LYS X 54 77.797 8.999 0.334 1.00 1.00 C ATOM 892 CD LYS X 54 77.840 10.191 1.291 1.00 1.00 C ATOM 893 CE LYS X 54 76.900 11.286 0.784 1.00 1.00 C ATOM 894 NZ LYS X 54 76.954 12.454 1.707 1.00 1.00 N ATOM 0 H LYS X 54 79.346 7.715 -1.563 1.00 1.00 H new ATOM 0 HA LYS X 54 80.450 9.182 0.645 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.393 6.926 0.492 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.708 7.868 1.936 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.099 9.310 -0.666 1.00 1.00 H new ATOM 0 HG3 LYS X 54 76.779 8.618 0.255 1.00 1.00 H new ATOM 0 HD2 LYS X 54 77.544 9.878 2.292 1.00 1.00 H new ATOM 0 HD3 LYS X 54 78.857 10.575 1.365 1.00 1.00 H new ATOM 0 HE2 LYS X 54 77.188 11.590 -0.222 1.00 1.00 H new ATOM 0 HE3 LYS X 54 75.881 10.905 0.722 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 76.315 13.199 1.362 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 76.659 12.158 2.659 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 77.926 12.822 1.745 1.00 1.00 H new ATOM 908 N PHE X 55 81.182 5.975 0.455 1.00 1.00 N ATOM 909 CA PHE X 55 82.074 4.937 1.045 1.00 1.00 C ATOM 910 C PHE X 55 83.497 5.138 0.521 1.00 1.00 C ATOM 911 O PHE X 55 84.434 4.529 0.997 1.00 1.00 O ATOM 912 CB PHE X 55 81.571 3.546 0.653 1.00 1.00 C ATOM 913 CG PHE X 55 82.064 2.527 1.652 1.00 1.00 C ATOM 914 CD1 PHE X 55 83.306 1.907 1.462 1.00 1.00 C ATOM 915 CD2 PHE X 55 81.283 2.205 2.767 1.00 1.00 C ATOM 916 CE1 PHE X 55 83.765 0.963 2.389 1.00 1.00 C ATOM 917 CE2 PHE X 55 81.743 1.261 3.694 1.00 1.00 C ATOM 918 CZ PHE X 55 82.984 0.640 3.504 1.00 1.00 C ATOM 0 H PHE X 55 80.657 5.679 -0.368 1.00 1.00 H new ATOM 0 HA PHE X 55 82.071 5.026 2.131 1.00 1.00 H new ATOM 0 HB2 PHE X 55 80.482 3.539 0.619 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.923 3.290 -0.346 1.00 1.00 H new ATOM 0 HD1 PHE X 55 83.909 2.157 0.601 1.00 1.00 H new ATOM 0 HD2 PHE X 55 80.326 2.684 2.913 1.00 1.00 H new ATOM 0 HE1 PHE X 55 84.722 0.484 2.243 1.00 1.00 H new ATOM 0 HE2 PHE X 55 81.141 1.012 4.555 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.338 -0.088 4.218 1.00 1.00 H new ATOM 928 N TRP X 56 83.671 5.986 -0.457 1.00 1.00 N ATOM 929 CA TRP X 56 85.037 6.207 -1.012 1.00 1.00 C ATOM 930 C TRP X 56 85.971 6.691 0.098 1.00 1.00 C ATOM 931 O TRP X 56 87.126 6.317 0.157 1.00 1.00 O ATOM 932 CB TRP X 56 84.971 7.261 -2.119 1.00 1.00 C ATOM 933 CG TRP X 56 86.358 7.672 -2.495 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.404 6.829 -2.645 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.866 9.009 -2.772 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.523 7.563 -2.996 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.241 8.912 -3.087 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.272 10.284 -2.780 1.00 1.00 C ATOM 939 CZ2 TRP X 56 89.001 10.040 -3.400 1.00 1.00 C ATOM 940 CZ3 TRP X 56 87.034 11.422 -3.095 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.396 11.299 -3.403 1.00 1.00 C ATOM 0 H TRP X 56 82.929 6.533 -0.894 1.00 1.00 H new ATOM 0 HA TRP X 56 85.418 5.271 -1.421 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.450 6.859 -2.988 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.403 8.127 -1.779 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.372 5.758 -2.513 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.443 7.158 -3.167 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.224 10.389 -2.543 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 90.050 9.940 -3.638 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.568 12.396 -3.100 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.977 12.177 -3.642 1.00 1.00 H new ATOM 952 N ARG X 57 85.484 7.519 0.981 1.00 1.00 N ATOM 953 CA ARG X 57 86.352 8.034 2.077 1.00 1.00 C ATOM 954 C ARG X 57 86.823 6.866 2.946 1.00 1.00 C ATOM 955 O ARG X 57 87.962 6.812 3.366 1.00 1.00 O ATOM 956 CB ARG X 57 85.560 9.022 2.935 1.00 1.00 C ATOM 957 CG ARG X 57 85.328 10.313 2.146 1.00 1.00 C ATOM 958 CD ARG X 57 83.867 10.742 2.287 1.00 1.00 C ATOM 959 NE ARG X 57 83.586 11.086 3.709 1.00 1.00 N ATOM 960 CZ ARG X 57 82.367 11.370 4.085 1.00 1.00 C ATOM 961 NH1 ARG X 57 81.395 11.349 3.215 1.00 1.00 N ATOM 962 NH2 ARG X 57 82.123 11.676 5.330 1.00 1.00 N ATOM 0 H ARG X 57 84.523 7.861 0.991 1.00 1.00 H new ATOM 0 HA ARG X 57 87.217 8.539 1.648 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.605 8.584 3.225 1.00 1.00 H new ATOM 0 HB3 ARG X 57 86.104 9.238 3.855 1.00 1.00 H new ATOM 0 HG2 ARG X 57 85.986 11.100 2.514 1.00 1.00 H new ATOM 0 HG3 ARG X 57 85.573 10.158 1.095 1.00 1.00 H new ATOM 0 HD2 ARG X 57 83.666 11.601 1.647 1.00 1.00 H new ATOM 0 HD3 ARG X 57 83.208 9.939 1.959 1.00 1.00 H new ATOM 0 HE ARG X 57 84.346 11.100 4.390 1.00 1.00 H new ATOM 0 HH11 ARG X 57 81.587 11.111 2.242 1.00 1.00 H new ATOM 0 HH12 ARG X 57 80.443 11.571 3.508 1.00 1.00 H new ATOM 0 HH21 ARG X 57 82.884 11.693 6.009 1.00 1.00 H new ATOM 0 HH22 ARG X 57 81.172 11.898 5.624 1.00 1.00 H new ATOM 976 N ARG X 58 85.957 5.929 3.219 1.00 1.00 N ATOM 977 CA ARG X 58 86.356 4.770 4.066 1.00 1.00 C ATOM 978 C ARG X 58 87.405 3.937 3.326 1.00 1.00 C ATOM 979 O ARG X 58 88.346 3.443 3.914 1.00 1.00 O ATOM 980 CB ARG X 58 85.129 3.905 4.357 1.00 1.00 C ATOM 981 CG ARG X 58 84.210 4.633 5.340 1.00 1.00 C ATOM 982 CD ARG X 58 82.969 3.780 5.610 1.00 1.00 C ATOM 983 NE ARG X 58 83.381 2.487 6.225 1.00 1.00 N ATOM 984 CZ ARG X 58 83.657 2.428 7.499 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.574 3.503 8.234 1.00 1.00 N ATOM 986 NH2 ARG X 58 84.017 1.295 8.036 1.00 1.00 N ATOM 0 H ARG X 58 84.991 5.916 2.892 1.00 1.00 H new ATOM 0 HA ARG X 58 86.775 5.132 5.005 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.593 3.693 3.432 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.438 2.946 4.774 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.740 4.828 6.273 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.917 5.600 4.932 1.00 1.00 H new ATOM 0 HD2 ARG X 58 82.287 4.311 6.275 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.430 3.598 4.680 1.00 1.00 H new ATOM 0 HE ARG X 58 83.447 1.647 5.650 1.00 1.00 H new ATOM 0 HH11 ARG X 58 83.294 4.389 7.813 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.790 3.458 9.230 1.00 1.00 H new ATOM 0 HH21 ARG X 58 84.083 0.456 7.460 1.00 1.00 H new ATOM 0 HH22 ARG X 58 84.233 1.248 9.032 1.00 1.00 H new ATOM 1000 N VAL X 59 87.248 3.776 2.041 1.00 1.00 N ATOM 1001 CA VAL X 59 88.232 2.970 1.266 1.00 1.00 C ATOM 1002 C VAL X 59 89.610 3.629 1.354 1.00 1.00 C ATOM 1003 O VAL X 59 90.613 2.972 1.551 1.00 1.00 O ATOM 1004 CB VAL X 59 87.794 2.896 -0.197 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.925 2.308 -1.043 1.00 1.00 C ATOM 1006 CG2 VAL X 59 86.554 2.005 -0.314 1.00 1.00 C ATOM 0 H VAL X 59 86.481 4.168 1.495 1.00 1.00 H new ATOM 0 HA VAL X 59 88.283 1.963 1.679 1.00 1.00 H new ATOM 0 HB VAL X 59 87.558 3.898 -0.555 1.00 1.00 H new ATOM 0 HG11 VAL X 59 88.611 2.256 -2.085 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.808 2.942 -0.961 1.00 1.00 H new ATOM 0 HG13 VAL X 59 89.164 1.306 -0.686 1.00 1.00 H new ATOM 0 HG21 VAL X 59 86.241 1.952 -1.357 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.790 1.003 0.045 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.747 2.425 0.286 1.00 1.00 H new ATOM 1016 N GLY X 60 89.666 4.925 1.210 1.00 1.00 N ATOM 1017 CA GLY X 60 90.979 5.627 1.281 1.00 1.00 C ATOM 1018 C GLY X 60 91.592 5.429 2.668 1.00 1.00 C ATOM 1019 O GLY X 60 92.736 5.041 2.802 1.00 1.00 O ATOM 0 H GLY X 60 88.860 5.528 1.046 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.652 5.239 0.516 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.846 6.690 1.079 1.00 1.00 H new ATOM 1023 N ASP X 61 90.841 5.692 3.703 1.00 1.00 N ATOM 1024 CA ASP X 61 91.384 5.521 5.079 1.00 1.00 C ATOM 1025 C ASP X 61 91.761 4.055 5.301 1.00 1.00 C ATOM 1026 O ASP X 61 92.786 3.748 5.877 1.00 1.00 O ATOM 1027 CB ASP X 61 90.323 5.935 6.101 1.00 1.00 C ATOM 1028 CG ASP X 61 90.373 7.450 6.304 1.00 1.00 C ATOM 1029 OD1 ASP X 61 91.255 8.075 5.739 1.00 1.00 O ATOM 1030 OD2 ASP X 61 89.529 7.960 7.023 1.00 1.00 O ATOM 0 H ASP X 61 89.876 6.018 3.654 1.00 1.00 H new ATOM 0 HA ASP X 61 92.269 6.146 5.200 1.00 1.00 H new ATOM 0 HB2 ASP X 61 89.333 5.636 5.755 1.00 1.00 H new ATOM 0 HB3 ASP X 61 90.497 5.425 7.048 1.00 1.00 H new ATOM 1035 N CYS X 62 90.942 3.148 4.848 1.00 1.00 N ATOM 1036 CA CYS X 62 91.252 1.703 5.037 1.00 1.00 C ATOM 1037 C CYS X 62 92.510 1.342 4.244 1.00 1.00 C ATOM 1038 O CYS X 62 93.447 0.778 4.772 1.00 1.00 O ATOM 1039 CB CYS X 62 90.076 0.859 4.540 1.00 1.00 C ATOM 1040 SG CYS X 62 88.590 1.281 5.483 1.00 1.00 S ATOM 0 H CYS X 62 90.071 3.344 4.355 1.00 1.00 H new ATOM 0 HA CYS X 62 91.420 1.504 6.095 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.909 1.038 3.478 1.00 1.00 H new ATOM 0 HB3 CYS X 62 90.302 -0.201 4.652 1.00 1.00 H new ATOM 0 HG CYS X 62 88.190 2.473 5.152 1.00 1.00 H new ATOM 1046 N PHE X 63 92.538 1.663 2.980 1.00 1.00 N ATOM 1047 CA PHE X 63 93.733 1.334 2.154 1.00 1.00 C ATOM 1048 C PHE X 63 94.960 2.048 2.724 1.00 1.00 C ATOM 1049 O PHE X 63 96.036 1.488 2.802 1.00 1.00 O ATOM 1050 CB PHE X 63 93.500 1.793 0.712 1.00 1.00 C ATOM 1051 CG PHE X 63 92.862 0.672 -0.075 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.852 -0.104 0.507 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.279 0.412 -1.385 1.00 1.00 C ATOM 1054 CE1 PHE X 63 91.260 -1.142 -0.223 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.687 -0.626 -2.115 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.677 -1.402 -1.534 1.00 1.00 C ATOM 0 H PHE X 63 91.785 2.139 2.484 1.00 1.00 H new ATOM 0 HA PHE X 63 93.899 0.257 2.170 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.857 2.673 0.698 1.00 1.00 H new ATOM 0 HB3 PHE X 63 94.446 2.082 0.253 1.00 1.00 H new ATOM 0 HD1 PHE X 63 91.530 0.098 1.518 1.00 1.00 H new ATOM 0 HD2 PHE X 63 94.057 1.012 -1.833 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.482 -1.742 0.225 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.009 -0.828 -3.126 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.219 -2.202 -2.097 1.00 1.00 H new ATOM 1066 N GLN X 64 94.808 3.281 3.125 1.00 1.00 N ATOM 1067 CA GLN X 64 95.966 4.029 3.691 1.00 1.00 C ATOM 1068 C GLN X 64 96.427 3.353 4.983 1.00 1.00 C ATOM 1069 O GLN X 64 97.607 3.260 5.259 1.00 1.00 O ATOM 1070 CB GLN X 64 95.544 5.469 3.992 1.00 1.00 C ATOM 1071 CG GLN X 64 96.753 6.261 4.494 1.00 1.00 C ATOM 1072 CD GLN X 64 96.386 7.742 4.599 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.460 8.197 3.960 1.00 1.00 O ATOM 1074 NE2 GLN X 64 97.080 8.520 5.385 1.00 1.00 N ATOM 0 H GLN X 64 93.932 3.802 3.085 1.00 1.00 H new ATOM 0 HA GLN X 64 96.784 4.032 2.971 1.00 1.00 H new ATOM 0 HB2 GLN X 64 95.138 5.935 3.094 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.753 5.478 4.742 1.00 1.00 H new ATOM 0 HG2 GLN X 64 97.069 5.884 5.467 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.594 6.131 3.813 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.858 8.138 5.922 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.844 9.509 5.462 1.00 1.00 H new ATOM 1083 N ASP X 65 95.507 2.881 5.778 1.00 1.00 N ATOM 1084 CA ASP X 65 95.899 2.209 7.049 1.00 1.00 C ATOM 1085 C ASP X 65 96.694 0.942 6.727 1.00 1.00 C ATOM 1086 O ASP X 65 97.720 0.674 7.321 1.00 1.00 O ATOM 1087 CB ASP X 65 94.640 1.836 7.836 1.00 1.00 C ATOM 1088 CG ASP X 65 94.021 3.098 8.438 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.730 4.084 8.556 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.848 3.058 8.771 1.00 1.00 O ATOM 0 H ASP X 65 94.503 2.931 5.603 1.00 1.00 H new ATOM 0 HA ASP X 65 96.514 2.883 7.646 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.922 1.343 7.181 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.889 1.128 8.626 1.00 1.00 H new ATOM 1095 N TYR X 66 96.230 0.162 5.790 1.00 1.00 N ATOM 1096 CA TYR X 66 96.959 -1.085 5.427 1.00 1.00 C ATOM 1097 C TYR X 66 98.288 -0.723 4.761 1.00 1.00 C ATOM 1098 O TYR X 66 99.261 -1.442 4.865 1.00 1.00 O ATOM 1099 CB TYR X 66 96.111 -1.909 4.457 1.00 1.00 C ATOM 1100 CG TYR X 66 95.022 -2.624 5.220 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.354 -3.625 6.142 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.680 -2.288 5.005 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.343 -4.287 6.849 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.670 -2.951 5.712 1.00 1.00 C ATOM 1105 CZ TYR X 66 93.002 -3.950 6.634 1.00 1.00 C ATOM 1106 OH TYR X 66 92.006 -4.604 7.331 1.00 1.00 O ATOM 0 H TYR X 66 95.376 0.335 5.259 1.00 1.00 H new ATOM 0 HA TYR X 66 97.150 -1.669 6.328 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.672 -1.260 3.699 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.737 -2.632 3.934 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.389 -3.886 6.307 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.424 -1.517 4.293 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.598 -5.058 7.561 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.635 -2.692 5.546 1.00 1.00 H new ATOM 0 HH TYR X 66 91.133 -4.249 7.064 1.00 1.00 H new ATOM 1116 N TYR X 67 98.336 0.387 4.077 1.00 1.00 N ATOM 1117 CA TYR X 67 99.600 0.787 3.397 1.00 1.00 C ATOM 1118 C TYR X 67 100.706 0.954 4.440 1.00 1.00 C ATOM 1119 O TYR X 67 101.756 0.348 4.348 1.00 1.00 O ATOM 1120 CB TYR X 67 99.387 2.113 2.664 1.00 1.00 C ATOM 1121 CG TYR X 67 100.722 2.776 2.428 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.631 2.217 1.523 1.00 1.00 C ATOM 1123 CD2 TYR X 67 101.050 3.951 3.114 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.869 2.833 1.304 1.00 1.00 C ATOM 1125 CE2 TYR X 67 102.289 4.567 2.896 1.00 1.00 C ATOM 1126 CZ TYR X 67 103.198 4.007 1.990 1.00 1.00 C ATOM 1127 OH TYR X 67 104.419 4.615 1.774 1.00 1.00 O ATOM 0 H TYR X 67 97.556 1.033 3.960 1.00 1.00 H new ATOM 0 HA TYR X 67 99.887 0.018 2.680 1.00 1.00 H new ATOM 0 HB2 TYR X 67 98.882 1.939 1.714 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.743 2.767 3.252 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.378 1.310 0.993 1.00 1.00 H new ATOM 0 HD2 TYR X 67 100.348 4.383 3.812 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.570 2.402 0.605 1.00 1.00 H new ATOM 0 HE2 TYR X 67 102.543 5.473 3.426 1.00 1.00 H new ATOM 0 HH TYR X 67 104.486 5.420 2.329 1.00 1.00 H new ATOM 1137 N ASN X 68 100.481 1.771 5.433 1.00 1.00 N ATOM 1138 CA ASN X 68 101.526 1.984 6.472 1.00 1.00 C ATOM 1139 C ASN X 68 101.720 0.692 7.268 1.00 1.00 C ATOM 1140 O ASN X 68 102.819 0.350 7.658 1.00 1.00 O ATOM 1141 CB ASN X 68 101.087 3.105 7.417 1.00 1.00 C ATOM 1142 CG ASN X 68 102.318 3.723 8.082 1.00 1.00 C ATOM 1143 OD1 ASN X 68 103.397 3.708 7.524 1.00 1.00 O ATOM 1144 ND2 ASN X 68 102.202 4.271 9.261 1.00 1.00 N ATOM 0 H ASN X 68 99.619 2.299 5.569 1.00 1.00 H new ATOM 0 HA ASN X 68 102.465 2.262 5.993 1.00 1.00 H new ATOM 0 HB2 ASN X 68 100.538 3.867 6.864 1.00 1.00 H new ATOM 0 HB3 ASN X 68 100.410 2.712 8.175 1.00 1.00 H new ATOM 0 HD21 ASN X 68 103.017 4.686 9.713 1.00 1.00 H new ATOM 0 HD22 ASN X 68 101.297 4.284 9.730 1.00 1.00 H new ATOM 1151 N THR X 69 100.659 -0.032 7.509 1.00 1.00 N ATOM 1152 CA THR X 69 100.779 -1.284 8.306 1.00 1.00 C ATOM 1153 C THR X 69 101.657 -2.283 7.550 1.00 1.00 C ATOM 1154 O THR X 69 102.555 -2.882 8.108 1.00 1.00 O ATOM 1155 CB THR X 69 99.388 -1.887 8.522 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.503 -0.878 8.988 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.472 -3.011 9.555 1.00 1.00 C ATOM 0 H THR X 69 99.717 0.190 7.188 1.00 1.00 H new ATOM 0 HA THR X 69 101.230 -1.060 9.272 1.00 1.00 H new ATOM 0 HB THR X 69 99.016 -2.290 7.580 1.00 1.00 H new ATOM 0 HG1 THR X 69 97.870 -0.644 8.277 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.481 -3.439 9.708 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.151 -3.785 9.196 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.844 -2.611 10.498 1.00 1.00 H new ATOM 1165 N PHE X 70 101.407 -2.465 6.282 1.00 1.00 N ATOM 1166 CA PHE X 70 102.203 -3.453 5.500 1.00 1.00 C ATOM 1167 C PHE X 70 103.062 -2.712 4.475 1.00 1.00 C ATOM 1168 O PHE X 70 104.260 -2.901 4.401 1.00 1.00 O ATOM 1169 CB PHE X 70 101.257 -4.411 4.775 1.00 1.00 C ATOM 1170 CG PHE X 70 100.576 -5.307 5.783 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.219 -6.464 6.237 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.304 -4.979 6.265 1.00 1.00 C ATOM 1173 CE1 PHE X 70 100.589 -7.295 7.171 1.00 1.00 C ATOM 1174 CE2 PHE X 70 98.673 -5.809 7.199 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.316 -6.967 7.653 1.00 1.00 C ATOM 0 H PHE X 70 100.686 -1.973 5.754 1.00 1.00 H new ATOM 0 HA PHE X 70 102.846 -4.020 6.174 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.513 -3.847 4.212 1.00 1.00 H new ATOM 0 HB3 PHE X 70 101.813 -5.012 4.055 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.202 -6.716 5.867 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.809 -4.085 5.916 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.085 -8.189 7.520 1.00 1.00 H new ATOM 0 HE2 PHE X 70 97.690 -5.556 7.569 1.00 1.00 H new ATOM 0 HZ PHE X 70 98.830 -7.607 8.375 1.00 1.00 H new ATOM 1185 N GLY X 71 102.459 -1.867 3.685 1.00 1.00 N ATOM 1186 CA GLY X 71 103.235 -1.131 2.647 1.00 1.00 C ATOM 1187 C GLY X 71 102.419 -1.063 1.355 1.00 1.00 C ATOM 1188 O GLY X 71 101.227 -1.298 1.350 1.00 1.00 O ATOM 0 H GLY X 71 101.462 -1.654 3.713 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.468 -0.125 2.996 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.185 -1.633 2.464 1.00 1.00 H new ATOM 1192 N PRO X 72 103.065 -0.742 0.268 1.00 1.00 N ATOM 1193 CA PRO X 72 102.406 -0.633 -1.063 1.00 1.00 C ATOM 1194 C PRO X 72 102.010 -2.003 -1.621 1.00 1.00 C ATOM 1195 O PRO X 72 101.225 -2.106 -2.542 1.00 1.00 O ATOM 1196 CB PRO X 72 103.460 0.029 -1.963 1.00 1.00 C ATOM 1197 CG PRO X 72 104.780 -0.151 -1.279 1.00 1.00 C ATOM 1198 CD PRO X 72 104.496 -0.451 0.188 1.00 1.00 C ATOM 0 HA PRO X 72 101.480 -0.062 -1.003 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.470 -0.431 -2.951 1.00 1.00 H new ATOM 0 HB3 PRO X 72 103.239 1.087 -2.106 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.341 -0.966 -1.736 1.00 1.00 H new ATOM 0 HG3 PRO X 72 105.388 0.748 -1.376 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.087 -1.299 0.535 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.758 0.399 0.818 1.00 1.00 H new ATOM 1206 N GLU X 73 102.545 -3.056 -1.067 1.00 1.00 N ATOM 1207 CA GLU X 73 102.203 -4.416 -1.571 1.00 1.00 C ATOM 1208 C GLU X 73 100.701 -4.651 -1.402 1.00 1.00 C ATOM 1209 O GLU X 73 100.004 -4.981 -2.341 1.00 1.00 O ATOM 1210 CB GLU X 73 102.979 -5.467 -0.776 1.00 1.00 C ATOM 1211 CG GLU X 73 104.463 -5.390 -1.135 1.00 1.00 C ATOM 1212 CD GLU X 73 105.255 -6.360 -0.256 1.00 1.00 C ATOM 1213 OE1 GLU X 73 104.634 -7.047 0.540 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.466 -6.398 -0.392 1.00 1.00 O ATOM 0 H GLU X 73 103.203 -3.034 -0.288 1.00 1.00 H new ATOM 0 HA GLU X 73 102.470 -4.494 -2.625 1.00 1.00 H new ATOM 0 HB2 GLU X 73 102.844 -5.302 0.293 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.593 -6.462 -0.996 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.606 -5.637 -2.187 1.00 1.00 H new ATOM 0 HG3 GLU X 73 104.829 -4.373 -0.994 1.00 1.00 H new ATOM 1221 N LYS X 74 100.197 -4.485 -0.209 1.00 1.00 N ATOM 1222 CA LYS X 74 98.742 -4.706 0.023 1.00 1.00 C ATOM 1223 C LYS X 74 97.939 -3.694 -0.794 1.00 1.00 C ATOM 1224 O LYS X 74 96.959 -4.030 -1.429 1.00 1.00 O ATOM 1225 CB LYS X 74 98.430 -4.523 1.509 1.00 1.00 C ATOM 1226 CG LYS X 74 99.159 -5.597 2.320 1.00 1.00 C ATOM 1227 CD LYS X 74 98.583 -6.973 1.981 1.00 1.00 C ATOM 1228 CE LYS X 74 98.837 -7.934 3.144 1.00 1.00 C ATOM 1229 NZ LYS X 74 98.222 -9.257 2.838 1.00 1.00 N ATOM 0 H LYS X 74 100.730 -4.206 0.614 1.00 1.00 H new ATOM 0 HA LYS X 74 98.473 -5.717 -0.283 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.741 -3.531 1.837 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.355 -4.592 1.677 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.226 -5.573 2.098 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.051 -5.398 3.386 1.00 1.00 H new ATOM 0 HD2 LYS X 74 97.513 -6.894 1.788 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.043 -7.357 1.071 1.00 1.00 H new ATOM 0 HE2 LYS X 74 99.909 -8.048 3.308 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.415 -7.529 4.064 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 98.394 -9.911 3.628 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 97.198 -9.140 2.702 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 98.645 -9.644 1.970 1.00 1.00 H new ATOM 1243 N VAL X 75 98.348 -2.454 -0.783 1.00 1.00 N ATOM 1244 CA VAL X 75 97.603 -1.417 -1.551 1.00 1.00 C ATOM 1245 C VAL X 75 98.578 -0.341 -2.032 1.00 1.00 C ATOM 1246 O VAL X 75 98.829 0.631 -1.349 1.00 1.00 O ATOM 1247 CB VAL X 75 96.544 -0.780 -0.650 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.531 -1.843 -0.222 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.220 -0.191 0.591 1.00 1.00 C ATOM 0 H VAL X 75 99.165 -2.115 -0.276 1.00 1.00 H new ATOM 0 HA VAL X 75 97.118 -1.879 -2.411 1.00 1.00 H new ATOM 0 HB VAL X 75 96.030 0.011 -1.196 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.776 -1.389 0.420 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.050 -2.264 -1.105 1.00 1.00 H new ATOM 0 HG13 VAL X 75 96.043 -2.635 0.324 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.467 0.264 1.234 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.733 -0.983 1.136 1.00 1.00 H new ATOM 0 HG23 VAL X 75 97.942 0.567 0.287 1.00 1.00 H new ATOM 1259 N PRO X 76 99.123 -0.520 -3.205 1.00 1.00 N ATOM 1260 CA PRO X 76 100.083 0.446 -3.805 1.00 1.00 C ATOM 1261 C PRO X 76 99.374 1.631 -4.467 1.00 1.00 C ATOM 1262 O PRO X 76 98.172 1.778 -4.378 1.00 1.00 O ATOM 1263 CB PRO X 76 100.824 -0.389 -4.847 1.00 1.00 C ATOM 1264 CG PRO X 76 99.872 -1.476 -5.232 1.00 1.00 C ATOM 1265 CD PRO X 76 98.879 -1.669 -4.090 1.00 1.00 C ATOM 0 HA PRO X 76 100.739 0.890 -3.056 1.00 1.00 H new ATOM 0 HB2 PRO X 76 101.101 0.215 -5.711 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.746 -0.801 -4.437 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.348 -1.214 -6.151 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.412 -2.403 -5.426 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.851 -1.681 -4.453 1.00 1.00 H new ATOM 0 HD3 PRO X 76 99.046 -2.614 -3.572 1.00 1.00 H new ATOM 1273 N VAL X 77 100.112 2.478 -5.133 1.00 1.00 N ATOM 1274 CA VAL X 77 99.483 3.659 -5.791 1.00 1.00 C ATOM 1275 C VAL X 77 98.543 3.183 -6.900 1.00 1.00 C ATOM 1276 O VAL X 77 97.705 3.921 -7.376 1.00 1.00 O ATOM 1277 CB VAL X 77 100.572 4.547 -6.394 1.00 1.00 C ATOM 1278 CG1 VAL X 77 101.505 5.036 -5.284 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.378 3.744 -7.417 1.00 1.00 C ATOM 0 H VAL X 77 101.123 2.403 -5.250 1.00 1.00 H new ATOM 0 HA VAL X 77 98.917 4.228 -5.053 1.00 1.00 H new ATOM 0 HB VAL X 77 100.110 5.403 -6.885 1.00 1.00 H new ATOM 0 HG11 VAL X 77 102.281 5.669 -5.714 1.00 1.00 H new ATOM 0 HG12 VAL X 77 100.933 5.608 -4.554 1.00 1.00 H new ATOM 0 HG13 VAL X 77 101.966 4.179 -4.793 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.154 4.377 -7.847 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.839 2.887 -6.925 1.00 1.00 H new ATOM 0 HG23 VAL X 77 100.715 3.394 -8.209 1.00 1.00 H new ATOM 1289 N THR X 78 98.678 1.954 -7.317 1.00 1.00 N ATOM 1290 CA THR X 78 97.796 1.432 -8.399 1.00 1.00 C ATOM 1291 C THR X 78 96.333 1.565 -7.969 1.00 1.00 C ATOM 1292 O THR X 78 95.455 1.776 -8.781 1.00 1.00 O ATOM 1293 CB THR X 78 98.120 -0.042 -8.659 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.856 -0.349 -10.021 1.00 1.00 O ATOM 1295 CG2 THR X 78 97.255 -0.924 -7.758 1.00 1.00 C ATOM 0 H THR X 78 99.361 1.289 -6.955 1.00 1.00 H new ATOM 0 HA THR X 78 97.962 2.005 -9.311 1.00 1.00 H new ATOM 0 HB THR X 78 99.172 -0.227 -8.441 1.00 1.00 H new ATOM 0 HG1 THR X 78 96.889 -0.435 -10.155 1.00 1.00 H new ATOM 0 HG21 THR X 78 97.487 -1.973 -7.944 1.00 1.00 H new ATOM 0 HG22 THR X 78 97.458 -0.687 -6.714 1.00 1.00 H new ATOM 0 HG23 THR X 78 96.202 -0.742 -7.973 1.00 1.00 H new ATOM 1303 N ALA X 79 96.066 1.442 -6.698 1.00 1.00 N ATOM 1304 CA ALA X 79 94.659 1.550 -6.219 1.00 1.00 C ATOM 1305 C ALA X 79 94.104 2.929 -6.581 1.00 1.00 C ATOM 1306 O ALA X 79 92.979 3.060 -7.020 1.00 1.00 O ATOM 1307 CB ALA X 79 94.622 1.367 -4.700 1.00 1.00 C ATOM 0 H ALA X 79 96.761 1.272 -5.971 1.00 1.00 H new ATOM 0 HA ALA X 79 94.052 0.778 -6.692 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.593 1.446 -4.349 1.00 1.00 H new ATOM 0 HB2 ALA X 79 95.019 0.385 -4.442 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.227 2.139 -4.226 1.00 1.00 H new ATOM 1313 N PHE X 80 94.884 3.958 -6.396 1.00 1.00 N ATOM 1314 CA PHE X 80 94.401 5.329 -6.725 1.00 1.00 C ATOM 1315 C PHE X 80 94.162 5.435 -8.233 1.00 1.00 C ATOM 1316 O PHE X 80 93.193 6.015 -8.679 1.00 1.00 O ATOM 1317 CB PHE X 80 95.452 6.355 -6.301 1.00 1.00 C ATOM 1318 CG PHE X 80 95.447 6.486 -4.798 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.187 5.594 -4.014 1.00 1.00 C ATOM 1320 CD2 PHE X 80 94.703 7.504 -4.187 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.183 5.716 -2.620 1.00 1.00 C ATOM 1322 CE2 PHE X 80 94.700 7.627 -2.793 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.439 6.733 -2.009 1.00 1.00 C ATOM 0 H PHE X 80 95.835 3.909 -6.031 1.00 1.00 H new ATOM 0 HA PHE X 80 93.469 5.525 -6.194 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.438 6.046 -6.647 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.241 7.320 -6.762 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.762 4.811 -4.485 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.132 8.193 -4.791 1.00 1.00 H new ATOM 0 HE1 PHE X 80 96.753 5.026 -2.016 1.00 1.00 H new ATOM 0 HE2 PHE X 80 94.127 8.412 -2.322 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.435 6.828 -0.933 1.00 1.00 H new ATOM 1333 N SER X 81 95.041 4.879 -9.020 1.00 1.00 N ATOM 1334 CA SER X 81 94.871 4.954 -10.499 1.00 1.00 C ATOM 1335 C SER X 81 93.544 4.298 -10.892 1.00 1.00 C ATOM 1336 O SER X 81 92.767 4.849 -11.645 1.00 1.00 O ATOM 1337 CB SER X 81 96.027 4.222 -11.183 1.00 1.00 C ATOM 1338 OG SER X 81 97.254 4.842 -10.824 1.00 1.00 O ATOM 0 H SER X 81 95.870 4.376 -8.703 1.00 1.00 H new ATOM 0 HA SER X 81 94.867 5.998 -10.814 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.035 3.173 -10.885 1.00 1.00 H new ATOM 0 HB3 SER X 81 95.898 4.245 -12.265 1.00 1.00 H new ATOM 0 HG SER X 81 97.997 4.374 -11.260 1.00 1.00 H new ATOM 1344 N TYR X 82 93.280 3.123 -10.385 1.00 1.00 N ATOM 1345 CA TYR X 82 92.004 2.436 -10.727 1.00 1.00 C ATOM 1346 C TYR X 82 90.827 3.236 -10.165 1.00 1.00 C ATOM 1347 O TYR X 82 89.827 3.433 -10.826 1.00 1.00 O ATOM 1348 CB TYR X 82 92.004 1.030 -10.124 1.00 1.00 C ATOM 1349 CG TYR X 82 92.776 0.091 -11.020 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.257 -0.271 -12.270 1.00 1.00 C ATOM 1351 CD2 TYR X 82 94.011 -0.418 -10.601 1.00 1.00 C ATOM 1352 CE1 TYR X 82 92.974 -1.143 -13.099 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.727 -1.288 -11.431 1.00 1.00 C ATOM 1354 CZ TYR X 82 94.209 -1.651 -12.680 1.00 1.00 C ATOM 1355 OH TYR X 82 94.916 -2.510 -13.496 1.00 1.00 O ATOM 0 H TYR X 82 93.893 2.611 -9.750 1.00 1.00 H new ATOM 0 HA TYR X 82 91.908 2.365 -11.810 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.452 1.050 -9.130 1.00 1.00 H new ATOM 0 HB3 TYR X 82 90.980 0.675 -10.005 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.305 0.122 -12.594 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.411 -0.139 -9.637 1.00 1.00 H new ATOM 0 HE1 TYR X 82 92.574 -1.424 -14.062 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.680 -1.680 -11.108 1.00 1.00 H new ATOM 0 HH TYR X 82 94.657 -3.435 -13.300 1.00 1.00 H new ATOM 1365 N TRP X 83 90.936 3.698 -8.951 1.00 1.00 N ATOM 1366 CA TRP X 83 89.824 4.490 -8.352 1.00 1.00 C ATOM 1367 C TRP X 83 89.601 5.757 -9.178 1.00 1.00 C ATOM 1368 O TRP X 83 88.486 6.203 -9.361 1.00 1.00 O ATOM 1369 CB TRP X 83 90.188 4.874 -6.915 1.00 1.00 C ATOM 1370 CG TRP X 83 88.943 4.956 -6.092 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.213 6.078 -5.896 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.270 3.895 -5.353 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.136 5.773 -5.084 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.126 4.441 -4.724 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.539 2.527 -5.171 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.279 3.657 -3.940 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.688 1.734 -4.383 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.560 2.299 -3.769 1.00 1.00 C ATOM 0 H TRP X 83 91.747 3.562 -8.347 1.00 1.00 H new ATOM 0 HA TRP X 83 88.912 3.893 -8.348 1.00 1.00 H new ATOM 0 HB2 TRP X 83 90.869 4.136 -6.491 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.708 5.832 -6.904 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.435 7.052 -6.306 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.434 6.451 -4.787 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.405 2.083 -5.640 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.412 4.097 -3.469 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 87.903 0.684 -4.249 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.909 1.685 -3.165 1.00 1.00 H new ATOM 1389 N ASN X 84 90.654 6.339 -9.682 1.00 1.00 N ATOM 1390 CA ASN X 84 90.502 7.570 -10.507 1.00 1.00 C ATOM 1391 C ASN X 84 89.566 7.279 -11.680 1.00 1.00 C ATOM 1392 O ASN X 84 88.702 8.067 -12.010 1.00 1.00 O ATOM 1393 CB ASN X 84 91.870 8.003 -11.037 1.00 1.00 C ATOM 1394 CG ASN X 84 92.735 8.501 -9.878 1.00 1.00 C ATOM 1395 OD1 ASN X 84 92.227 8.817 -8.819 1.00 1.00 O ATOM 1396 ND2 ASN X 84 94.027 8.586 -10.034 1.00 1.00 N ATOM 0 H ASN X 84 91.613 6.015 -9.558 1.00 1.00 H new ATOM 0 HA ASN X 84 90.083 8.370 -9.896 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.359 7.167 -11.536 1.00 1.00 H new ATOM 0 HB3 ASN X 84 91.750 8.792 -11.780 1.00 1.00 H new ATOM 0 HD21 ASN X 84 94.613 8.918 -9.267 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.452 8.321 -10.922 1.00 1.00 H new ATOM 1403 N LEU X 85 89.730 6.149 -12.314 1.00 1.00 N ATOM 1404 CA LEU X 85 88.831 5.788 -13.445 1.00 1.00 C ATOM 1405 C LEU X 85 87.402 5.613 -12.930 1.00 1.00 C ATOM 1406 O LEU X 85 86.450 6.036 -13.555 1.00 1.00 O ATOM 1407 CB LEU X 85 89.309 4.480 -14.079 1.00 1.00 C ATOM 1408 CG LEU X 85 90.672 4.698 -14.735 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.197 3.368 -15.279 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.528 5.696 -15.885 1.00 1.00 C ATOM 0 H LEU X 85 90.450 5.460 -12.096 1.00 1.00 H new ATOM 0 HA LEU X 85 88.851 6.583 -14.191 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.380 3.701 -13.320 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.587 4.138 -14.821 1.00 1.00 H new ATOM 0 HG LEU X 85 91.372 5.089 -13.997 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.169 3.524 -15.747 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.298 2.655 -14.461 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.498 2.976 -16.018 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.499 5.853 -16.354 1.00 1.00 H new ATOM 0 HD22 LEU X 85 89.828 5.303 -16.622 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.154 6.644 -15.499 1.00 1.00 H new ATOM 1422 N ILE X 86 87.243 4.994 -11.791 1.00 1.00 N ATOM 1423 CA ILE X 86 85.875 4.804 -11.232 1.00 1.00 C ATOM 1424 C ILE X 86 85.248 6.169 -10.948 1.00 1.00 C ATOM 1425 O ILE X 86 84.082 6.394 -11.205 1.00 1.00 O ATOM 1426 CB ILE X 86 85.963 4.003 -9.932 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.114 2.515 -10.258 1.00 1.00 C ATOM 1428 CG2 ILE X 86 84.688 4.217 -9.114 1.00 1.00 C ATOM 1429 CD1 ILE X 86 84.730 1.888 -10.437 1.00 1.00 C ATOM 0 H ILE X 86 88.001 4.612 -11.225 1.00 1.00 H new ATOM 0 HA ILE X 86 85.259 4.263 -11.951 1.00 1.00 H new ATOM 0 HB ILE X 86 86.826 4.339 -9.357 1.00 1.00 H new ATOM 0 HG12 ILE X 86 86.702 2.389 -11.167 1.00 1.00 H new ATOM 0 HG13 ILE X 86 86.653 2.009 -9.457 1.00 1.00 H new ATOM 0 HG21 ILE X 86 84.750 3.646 -8.187 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.579 5.276 -8.881 1.00 1.00 H new ATOM 0 HG23 ILE X 86 83.826 3.881 -9.690 1.00 1.00 H new ATOM 0 HD11 ILE X 86 84.838 0.828 -10.669 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.157 2.001 -9.516 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.207 2.387 -11.253 1.00 1.00 H new ATOM 1441 N LYS X 87 86.014 7.083 -10.419 1.00 1.00 N ATOM 1442 CA LYS X 87 85.461 8.433 -10.114 1.00 1.00 C ATOM 1443 C LYS X 87 84.881 9.047 -11.389 1.00 1.00 C ATOM 1444 O LYS X 87 83.842 9.677 -11.370 1.00 1.00 O ATOM 1445 CB LYS X 87 86.578 9.331 -9.577 1.00 1.00 C ATOM 1446 CG LYS X 87 85.990 10.678 -9.153 1.00 1.00 C ATOM 1447 CD LYS X 87 87.085 11.534 -8.512 1.00 1.00 C ATOM 1448 CE LYS X 87 86.492 12.873 -8.070 1.00 1.00 C ATOM 1449 NZ LYS X 87 87.545 13.686 -7.399 1.00 1.00 N ATOM 0 H LYS X 87 86.998 6.954 -10.185 1.00 1.00 H new ATOM 0 HA LYS X 87 84.674 8.343 -9.365 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.068 8.853 -8.729 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.340 9.479 -10.343 1.00 1.00 H new ATOM 0 HG2 LYS X 87 85.571 11.192 -10.018 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.174 10.525 -8.447 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.514 11.014 -7.656 1.00 1.00 H new ATOM 0 HD3 LYS X 87 87.895 11.700 -9.223 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.097 13.410 -8.932 1.00 1.00 H new ATOM 0 HE3 LYS X 87 85.657 12.706 -7.389 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 87.142 14.596 -7.098 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 87.902 13.174 -6.567 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.328 13.856 -8.062 1.00 1.00 H new ATOM 1463 N GLU X 88 85.544 8.869 -12.500 1.00 1.00 N ATOM 1464 CA GLU X 88 85.032 9.451 -13.773 1.00 1.00 C ATOM 1465 C GLU X 88 83.755 8.719 -14.190 1.00 1.00 C ATOM 1466 O GLU X 88 82.804 9.320 -14.647 1.00 1.00 O ATOM 1467 CB GLU X 88 86.090 9.297 -14.868 1.00 1.00 C ATOM 1468 CG GLU X 88 87.300 10.172 -14.537 1.00 1.00 C ATOM 1469 CD GLU X 88 88.375 9.984 -15.610 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.152 9.193 -16.511 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.403 10.633 -15.511 1.00 1.00 O ATOM 0 H GLU X 88 86.416 8.347 -12.581 1.00 1.00 H new ATOM 0 HA GLU X 88 84.814 10.509 -13.627 1.00 1.00 H new ATOM 0 HB2 GLU X 88 86.394 8.254 -14.950 1.00 1.00 H new ATOM 0 HB3 GLU X 88 85.674 9.584 -15.833 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.002 11.219 -14.486 1.00 1.00 H new ATOM 0 HG3 GLU X 88 87.698 9.905 -13.558 1.00 1.00 H new ATOM 1478 N LEU X 89 83.727 7.423 -14.034 1.00 1.00 N ATOM 1479 CA LEU X 89 82.531 6.648 -14.464 1.00 1.00 C ATOM 1480 C LEU X 89 81.322 7.078 -13.630 1.00 1.00 C ATOM 1481 O LEU X 89 80.250 7.315 -14.150 1.00 1.00 O ATOM 1482 CB LEU X 89 82.788 5.154 -14.255 1.00 1.00 C ATOM 1483 CG LEU X 89 83.316 4.540 -15.554 1.00 1.00 C ATOM 1484 CD1 LEU X 89 84.686 5.136 -15.882 1.00 1.00 C ATOM 1485 CD2 LEU X 89 83.448 3.025 -15.385 1.00 1.00 C ATOM 0 H LEU X 89 84.481 6.869 -13.628 1.00 1.00 H new ATOM 0 HA LEU X 89 82.334 6.838 -15.519 1.00 1.00 H new ATOM 0 HB2 LEU X 89 83.510 5.007 -13.451 1.00 1.00 H new ATOM 0 HB3 LEU X 89 81.868 4.655 -13.952 1.00 1.00 H new ATOM 0 HG LEU X 89 82.622 4.757 -16.366 1.00 1.00 H new ATOM 0 HD11 LEU X 89 85.061 4.698 -16.807 1.00 1.00 H new ATOM 0 HD12 LEU X 89 84.594 6.215 -16.003 1.00 1.00 H new ATOM 0 HD13 LEU X 89 85.381 4.920 -15.070 1.00 1.00 H new ATOM 0 HD21 LEU X 89 83.824 2.587 -16.310 1.00 1.00 H new ATOM 0 HD22 LEU X 89 84.142 2.809 -14.573 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.472 2.599 -15.152 1.00 1.00 H new ATOM 1497 N ILE X 90 81.487 7.180 -12.340 1.00 1.00 N ATOM 1498 CA ILE X 90 80.342 7.574 -11.472 1.00 1.00 C ATOM 1499 C ILE X 90 80.057 9.067 -11.653 1.00 1.00 C ATOM 1500 O ILE X 90 78.920 9.495 -11.669 1.00 1.00 O ATOM 1501 CB ILE X 90 80.693 7.295 -10.009 1.00 1.00 C ATOM 1502 CG1 ILE X 90 81.881 8.166 -9.595 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.062 5.820 -9.846 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.379 7.725 -8.218 1.00 1.00 C ATOM 0 H ILE X 90 82.365 7.008 -11.850 1.00 1.00 H new ATOM 0 HA ILE X 90 79.459 6.999 -11.750 1.00 1.00 H new ATOM 0 HB ILE X 90 79.835 7.527 -9.379 1.00 1.00 H new ATOM 0 HG12 ILE X 90 82.683 8.079 -10.329 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.585 9.215 -9.568 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.312 5.621 -8.804 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.217 5.199 -10.142 1.00 1.00 H new ATOM 0 HG23 ILE X 90 81.921 5.588 -10.476 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.225 8.345 -7.922 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.576 7.834 -7.489 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.691 6.681 -8.261 1.00 1.00 H new ATOM 1516 N ASP X 91 81.081 9.864 -11.787 1.00 1.00 N ATOM 1517 CA ASP X 91 80.868 11.329 -11.965 1.00 1.00 C ATOM 1518 C ASP X 91 80.116 11.580 -13.273 1.00 1.00 C ATOM 1519 O ASP X 91 79.182 12.356 -13.324 1.00 1.00 O ATOM 1520 CB ASP X 91 82.223 12.040 -12.009 1.00 1.00 C ATOM 1521 CG ASP X 91 82.745 12.237 -10.585 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.019 11.915 -9.659 1.00 1.00 O ATOM 1523 OD2 ASP X 91 83.863 12.705 -10.445 1.00 1.00 O ATOM 0 H ASP X 91 82.056 9.565 -11.781 1.00 1.00 H new ATOM 0 HA ASP X 91 80.283 11.715 -11.131 1.00 1.00 H new ATOM 0 HB2 ASP X 91 82.934 11.453 -12.590 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.123 13.004 -12.507 1.00 1.00 H new ATOM 1528 N LYS X 92 80.514 10.930 -14.332 1.00 1.00 N ATOM 1529 CA LYS X 92 79.816 11.125 -15.634 1.00 1.00 C ATOM 1530 C LYS X 92 78.357 10.683 -15.505 1.00 1.00 C ATOM 1531 O LYS X 92 77.451 11.363 -15.945 1.00 1.00 O ATOM 1532 CB LYS X 92 80.509 10.291 -16.713 1.00 1.00 C ATOM 1533 CG LYS X 92 81.848 10.934 -17.078 1.00 1.00 C ATOM 1534 CD LYS X 92 82.553 10.085 -18.138 1.00 1.00 C ATOM 1535 CE LYS X 92 83.882 10.739 -18.516 1.00 1.00 C ATOM 1536 NZ LYS X 92 84.563 9.915 -19.554 1.00 1.00 N ATOM 0 H LYS X 92 81.293 10.272 -14.352 1.00 1.00 H new ATOM 0 HA LYS X 92 79.851 12.179 -15.910 1.00 1.00 H new ATOM 0 HB2 LYS X 92 80.668 9.274 -16.354 1.00 1.00 H new ATOM 0 HB3 LYS X 92 79.875 10.222 -17.597 1.00 1.00 H new ATOM 0 HG2 LYS X 92 81.687 11.944 -17.455 1.00 1.00 H new ATOM 0 HG3 LYS X 92 82.475 11.021 -16.191 1.00 1.00 H new ATOM 0 HD2 LYS X 92 82.726 9.079 -17.757 1.00 1.00 H new ATOM 0 HD3 LYS X 92 81.920 9.987 -19.020 1.00 1.00 H new ATOM 0 HE2 LYS X 92 83.709 11.747 -18.892 1.00 1.00 H new ATOM 0 HE3 LYS X 92 84.517 10.832 -17.635 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 85.467 10.359 -19.812 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 84.740 8.961 -19.179 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 83.957 9.848 -20.397 1.00 1.00 H new ATOM 1550 N LYS X 93 78.122 9.547 -14.906 1.00 1.00 N ATOM 1551 CA LYS X 93 76.721 9.065 -14.743 1.00 1.00 C ATOM 1552 C LYS X 93 75.968 9.996 -13.788 1.00 1.00 C ATOM 1553 O LYS X 93 76.417 10.271 -12.693 1.00 1.00 O ATOM 1554 CB LYS X 93 76.731 7.646 -14.172 1.00 1.00 C ATOM 1555 CG LYS X 93 77.254 6.674 -15.230 1.00 1.00 C ATOM 1556 CD LYS X 93 77.317 5.263 -14.640 1.00 1.00 C ATOM 1557 CE LYS X 93 77.824 4.288 -15.703 1.00 1.00 C ATOM 1558 NZ LYS X 93 77.951 2.927 -15.108 1.00 1.00 N ATOM 0 H LYS X 93 78.840 8.932 -14.523 1.00 1.00 H new ATOM 0 HA LYS X 93 76.224 9.061 -15.713 1.00 1.00 H new ATOM 0 HB2 LYS X 93 77.360 7.605 -13.283 1.00 1.00 H new ATOM 0 HB3 LYS X 93 75.725 7.359 -13.865 1.00 1.00 H new ATOM 0 HG2 LYS X 93 76.602 6.686 -16.104 1.00 1.00 H new ATOM 0 HG3 LYS X 93 78.244 6.984 -15.566 1.00 1.00 H new ATOM 0 HD2 LYS X 93 77.978 5.249 -13.773 1.00 1.00 H new ATOM 0 HD3 LYS X 93 76.330 4.958 -14.293 1.00 1.00 H new ATOM 0 HE2 LYS X 93 77.136 4.264 -16.548 1.00 1.00 H new ATOM 0 HE3 LYS X 93 78.789 4.621 -16.086 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 78.296 2.263 -15.830 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 78.624 2.956 -14.315 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 77.022 2.611 -14.763 1.00 1.00 H new ATOM 1572 N GLU X 94 74.827 10.480 -14.193 1.00 1.00 N ATOM 1573 CA GLU X 94 74.047 11.391 -13.309 1.00 1.00 C ATOM 1574 C GLU X 94 73.065 10.573 -12.468 1.00 1.00 C ATOM 1575 O GLU X 94 71.981 10.244 -12.907 1.00 1.00 O ATOM 1576 CB GLU X 94 73.271 12.393 -14.168 1.00 1.00 C ATOM 1577 CG GLU X 94 74.251 13.343 -14.858 1.00 1.00 C ATOM 1578 CD GLU X 94 73.492 14.239 -15.837 1.00 1.00 C ATOM 1579 OE1 GLU X 94 72.325 13.970 -16.072 1.00 1.00 O ATOM 1580 OE2 GLU X 94 74.089 15.179 -16.336 1.00 1.00 O ATOM 0 H GLU X 94 74.400 10.284 -15.099 1.00 1.00 H new ATOM 0 HA GLU X 94 74.729 11.927 -12.649 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.675 11.865 -14.913 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.576 12.959 -13.547 1.00 1.00 H new ATOM 0 HG2 GLU X 94 74.766 13.953 -14.116 1.00 1.00 H new ATOM 0 HG3 GLU X 94 75.014 12.773 -15.388 1.00 1.00 H new ATOM 1587 N VAL X 95 73.436 10.240 -11.262 1.00 1.00 N ATOM 1588 CA VAL X 95 72.523 9.445 -10.393 1.00 1.00 C ATOM 1589 C VAL X 95 72.240 10.220 -9.103 1.00 1.00 C ATOM 1590 O VAL X 95 72.861 11.226 -8.823 1.00 1.00 O ATOM 1591 CB VAL X 95 73.182 8.110 -10.050 1.00 1.00 C ATOM 1592 CG1 VAL X 95 74.435 8.359 -9.208 1.00 1.00 C ATOM 1593 CG2 VAL X 95 72.199 7.247 -9.256 1.00 1.00 C ATOM 0 H VAL X 95 74.332 10.484 -10.841 1.00 1.00 H new ATOM 0 HA VAL X 95 71.586 9.264 -10.920 1.00 1.00 H new ATOM 0 HB VAL X 95 73.459 7.595 -10.970 1.00 1.00 H new ATOM 0 HG11 VAL X 95 74.904 7.406 -8.964 1.00 1.00 H new ATOM 0 HG12 VAL X 95 75.136 8.975 -9.772 1.00 1.00 H new ATOM 0 HG13 VAL X 95 74.159 8.874 -8.288 1.00 1.00 H new ATOM 0 HG21 VAL X 95 72.668 6.294 -9.010 1.00 1.00 H new ATOM 0 HG22 VAL X 95 71.922 7.763 -8.337 1.00 1.00 H new ATOM 0 HG23 VAL X 95 71.306 7.068 -9.855 1.00 1.00 H new ATOM 1603 N ASN X 96 71.306 9.759 -8.316 1.00 1.00 N ATOM 1604 CA ASN X 96 70.978 10.475 -7.049 1.00 1.00 C ATOM 1605 C ASN X 96 70.984 9.483 -5.884 1.00 1.00 C ATOM 1606 O ASN X 96 69.952 8.996 -5.467 1.00 1.00 O ATOM 1607 CB ASN X 96 69.593 11.114 -7.168 1.00 1.00 C ATOM 1608 CG ASN X 96 69.430 12.183 -6.086 1.00 1.00 C ATOM 1609 OD1 ASN X 96 70.197 12.236 -5.146 1.00 1.00 O ATOM 1610 ND2 ASN X 96 68.454 13.045 -6.179 1.00 1.00 N ATOM 0 H ASN X 96 70.756 8.919 -8.495 1.00 1.00 H new ATOM 0 HA ASN X 96 71.722 11.251 -6.868 1.00 1.00 H new ATOM 0 HB2 ASN X 96 69.470 11.559 -8.155 1.00 1.00 H new ATOM 0 HB3 ASN X 96 68.819 10.353 -7.062 1.00 1.00 H new ATOM 0 HD21 ASN X 96 68.337 13.762 -5.463 1.00 1.00 H new ATOM 0 HD22 ASN X 96 67.809 13.002 -6.968 1.00 1.00 H new ATOM 1617 N PRO X 97 72.145 9.188 -5.367 1.00 1.00 N ATOM 1618 CA PRO X 97 72.306 8.234 -4.233 1.00 1.00 C ATOM 1619 C PRO X 97 71.521 8.668 -2.992 1.00 1.00 C ATOM 1620 O PRO X 97 70.502 9.324 -3.089 1.00 1.00 O ATOM 1621 CB PRO X 97 73.808 8.261 -3.950 1.00 1.00 C ATOM 1622 CG PRO X 97 74.439 8.767 -5.207 1.00 1.00 C ATOM 1623 CD PRO X 97 73.438 9.735 -5.810 1.00 1.00 C ATOM 0 HA PRO X 97 71.925 7.243 -4.480 1.00 1.00 H new ATOM 0 HB2 PRO X 97 74.037 8.911 -3.106 1.00 1.00 H new ATOM 0 HB3 PRO X 97 74.178 7.268 -3.697 1.00 1.00 H new ATOM 0 HG2 PRO X 97 75.386 9.264 -4.997 1.00 1.00 H new ATOM 0 HG3 PRO X 97 74.654 7.948 -5.894 1.00 1.00 H new ATOM 0 HD2 PRO X 97 73.592 10.752 -5.449 1.00 1.00 H new ATOM 0 HD3 PRO X 97 73.512 9.768 -6.897 1.00 1.00 H new ATOM 1631 N GLN X 98 71.986 8.309 -1.827 1.00 1.00 N ATOM 1632 CA GLN X 98 71.265 8.702 -0.583 1.00 1.00 C ATOM 1633 C GLN X 98 71.247 10.228 -0.466 1.00 1.00 C ATOM 1634 O GLN X 98 70.217 10.858 -0.598 1.00 1.00 O ATOM 1635 CB GLN X 98 71.978 8.103 0.632 1.00 1.00 C ATOM 1636 CG GLN X 98 71.747 6.590 0.667 1.00 1.00 C ATOM 1637 CD GLN X 98 72.510 5.984 1.846 1.00 1.00 C ATOM 1638 OE1 GLN X 98 73.084 6.697 2.645 1.00 1.00 O ATOM 1639 NE2 GLN X 98 72.540 4.687 1.990 1.00 1.00 N ATOM 0 H GLN X 98 72.834 7.761 -1.683 1.00 1.00 H new ATOM 0 HA GLN X 98 70.242 8.329 -0.622 1.00 1.00 H new ATOM 0 HB2 GLN X 98 73.046 8.317 0.582 1.00 1.00 H new ATOM 0 HB3 GLN X 98 71.604 8.560 1.548 1.00 1.00 H new ATOM 0 HG2 GLN X 98 70.682 6.376 0.761 1.00 1.00 H new ATOM 0 HG3 GLN X 98 72.082 6.139 -0.267 1.00 1.00 H new ATOM 0 HE21 GLN X 98 72.058 4.088 1.319 1.00 1.00 H new ATOM 0 HE22 GLN X 98 73.045 4.272 2.773 1.00 1.00 H new ATOM 1648 N VAL X 99 72.380 10.825 -0.217 1.00 1.00 N ATOM 1649 CA VAL X 99 72.429 12.309 -0.091 1.00 1.00 C ATOM 1650 C VAL X 99 73.448 12.873 -1.082 1.00 1.00 C ATOM 1651 O VAL X 99 74.579 12.433 -1.143 1.00 1.00 O ATOM 1652 CB VAL X 99 72.839 12.688 1.334 1.00 1.00 C ATOM 1653 CG1 VAL X 99 73.133 14.188 1.401 1.00 1.00 C ATOM 1654 CG2 VAL X 99 71.701 12.348 2.298 1.00 1.00 C ATOM 0 H VAL X 99 73.274 10.349 -0.095 1.00 1.00 H new ATOM 0 HA VAL X 99 71.444 12.723 -0.308 1.00 1.00 H new ATOM 0 HB VAL X 99 73.733 12.131 1.614 1.00 1.00 H new ATOM 0 HG11 VAL X 99 73.425 14.457 2.416 1.00 1.00 H new ATOM 0 HG12 VAL X 99 73.944 14.431 0.714 1.00 1.00 H new ATOM 0 HG13 VAL X 99 72.240 14.747 1.120 1.00 1.00 H new ATOM 0 HG21 VAL X 99 71.992 12.617 3.313 1.00 1.00 H new ATOM 0 HG22 VAL X 99 70.807 12.905 2.017 1.00 1.00 H new ATOM 0 HG23 VAL X 99 71.492 11.279 2.252 1.00 1.00 H new ATOM 1664 N MET X 100 73.059 13.845 -1.861 1.00 1.00 N ATOM 1665 CA MET X 100 74.008 14.436 -2.845 1.00 1.00 C ATOM 1666 C MET X 100 74.703 13.315 -3.620 1.00 1.00 C ATOM 1667 O MET X 100 74.177 12.215 -3.632 1.00 1.00 O ATOM 1668 CB MET X 100 75.055 15.270 -2.104 1.00 1.00 C ATOM 1669 CG MET X 100 74.416 16.568 -1.607 1.00 1.00 C ATOM 1670 SD MET X 100 73.929 17.582 -3.024 1.00 1.00 S ATOM 1671 CE MET X 100 75.597 17.944 -3.626 1.00 1.00 C ATOM 1672 OXT MET X 100 75.750 13.576 -4.189 1.00 1.00 O ATOM 0 H MET X 100 72.125 14.255 -1.858 1.00 1.00 H new ATOM 0 HA MET X 100 73.462 15.073 -3.541 1.00 1.00 H new ATOM 0 HB2 MET X 100 75.457 14.705 -1.263 1.00 1.00 H new ATOM 0 HB3 MET X 100 75.891 15.494 -2.766 1.00 1.00 H new ATOM 0 HG2 MET X 100 73.546 16.344 -0.990 1.00 1.00 H new ATOM 0 HG3 MET X 100 75.119 17.115 -0.979 1.00 1.00 H new ATOM 0 HE1 MET X 100 75.607 18.925 -4.101 1.00 1.00 H new ATOM 0 HE2 MET X 100 76.295 17.939 -2.789 1.00 1.00 H new ATOM 0 HE3 MET X 100 75.895 17.186 -4.351 1.00 1.00 H new TER 1682 MET X 100