USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 124 SER OG : rot 180:sc= 0.333 USER MOD Set 1.2: A 127 THR OG1 : rot 180:sc= -0.166 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 83:sc= 0.191 USER MOD Single : A 97 THR OG1 : rot -107:sc= 0.34 USER MOD Single : A 102 SER OG : rot 180:sc= -1.1 USER MOD Single : A 104 HIS : no HE2:sc= 0.196 K(o=0.2,f=-0.73) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -1.57 K(o=-1.6,f=-6!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 114 SER OG : rot 53:sc= 0.368 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 126 THR OG1 : rot 127:sc= 0.133 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 -12.902 4.336 -12.476 1.00 0.00 N ATOM 2 CA VAL A 84 -12.746 5.603 -11.706 1.00 0.00 C ATOM 3 C VAL A 84 -12.147 5.293 -10.333 1.00 0.00 C ATOM 4 O VAL A 84 -12.661 5.706 -9.312 1.00 0.00 O ATOM 5 CB VAL A 84 -14.114 6.264 -11.529 1.00 0.00 C ATOM 6 CG1 VAL A 84 -15.058 5.303 -10.804 1.00 0.00 C ATOM 7 CG2 VAL A 84 -13.959 7.545 -10.706 1.00 0.00 C ATOM 0 HA VAL A 84 -12.084 6.279 -12.247 1.00 0.00 H new ATOM 0 HB VAL A 84 -14.527 6.508 -12.508 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -16.032 5.775 -10.679 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -15.170 4.391 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -14.646 5.057 -9.826 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -14.934 8.016 -10.580 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.544 7.301 -9.728 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.289 8.231 -11.224 1.00 0.00 H new ATOM 19 N THR A 85 -11.063 4.567 -10.299 1.00 0.00 N ATOM 20 CA THR A 85 -10.432 4.231 -8.991 1.00 0.00 C ATOM 21 C THR A 85 -8.926 4.488 -9.069 1.00 0.00 C ATOM 22 O THR A 85 -8.134 3.571 -9.168 1.00 0.00 O ATOM 23 CB THR A 85 -10.683 2.756 -8.668 1.00 0.00 C ATOM 24 OG1 THR A 85 -11.378 2.147 -9.748 1.00 0.00 O ATOM 25 CG2 THR A 85 -11.519 2.646 -7.392 1.00 0.00 C ATOM 0 H THR A 85 -10.587 4.192 -11.120 1.00 0.00 H new ATOM 0 HA THR A 85 -10.865 4.853 -8.208 1.00 0.00 H new ATOM 0 HB THR A 85 -9.730 2.249 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 85 -11.538 1.202 -9.543 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.697 1.595 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 85 -10.983 3.112 -6.565 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.473 3.152 -7.537 1.00 0.00 H new ATOM 33 N LEU A 86 -8.522 5.729 -9.025 1.00 0.00 N ATOM 34 CA LEU A 86 -7.067 6.041 -9.097 1.00 0.00 C ATOM 35 C LEU A 86 -6.631 6.754 -7.817 1.00 0.00 C ATOM 36 O LEU A 86 -7.313 7.625 -7.316 1.00 0.00 O ATOM 37 CB LEU A 86 -6.798 6.946 -10.300 1.00 0.00 C ATOM 38 CG LEU A 86 -6.886 6.126 -11.588 1.00 0.00 C ATOM 39 CD1 LEU A 86 -7.934 6.743 -12.515 1.00 0.00 C ATOM 40 CD2 LEU A 86 -5.524 6.129 -12.286 1.00 0.00 C ATOM 0 H LEU A 86 -9.136 6.539 -8.942 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.504 5.114 -9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.523 7.760 -10.325 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.811 7.400 -10.213 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.171 5.102 -11.349 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.997 6.159 -13.433 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.904 6.744 -12.018 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.649 7.767 -12.756 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.585 5.545 -13.204 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.240 7.154 -12.526 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.776 5.690 -11.626 1.00 0.00 H new ATOM 52 N PHE A 87 -5.495 6.393 -7.286 1.00 0.00 N ATOM 53 CA PHE A 87 -5.009 7.051 -6.041 1.00 0.00 C ATOM 54 C PHE A 87 -3.595 7.590 -6.275 1.00 0.00 C ATOM 55 O PHE A 87 -2.981 7.322 -7.289 1.00 0.00 O ATOM 56 CB PHE A 87 -4.981 6.030 -4.900 1.00 0.00 C ATOM 57 CG PHE A 87 -6.375 5.506 -4.652 1.00 0.00 C ATOM 58 CD1 PHE A 87 -7.029 4.756 -5.636 1.00 0.00 C ATOM 59 CD2 PHE A 87 -7.014 5.770 -3.433 1.00 0.00 C ATOM 60 CE1 PHE A 87 -8.321 4.268 -5.403 1.00 0.00 C ATOM 61 CE2 PHE A 87 -8.305 5.282 -3.200 1.00 0.00 C ATOM 62 CZ PHE A 87 -8.958 4.532 -4.185 1.00 0.00 C ATOM 0 H PHE A 87 -4.882 5.670 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.676 7.871 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.312 5.207 -5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.590 6.493 -3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.537 4.553 -6.576 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.510 6.350 -2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.825 3.689 -6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -8.797 5.484 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.955 4.157 -4.005 1.00 0.00 H new ATOM 72 N VAL A 88 -3.071 8.342 -5.348 1.00 0.00 N ATOM 73 CA VAL A 88 -1.695 8.890 -5.520 1.00 0.00 C ATOM 74 C VAL A 88 -0.891 8.650 -4.242 1.00 0.00 C ATOM 75 O VAL A 88 -1.436 8.588 -3.158 1.00 0.00 O ATOM 76 CB VAL A 88 -1.769 10.393 -5.801 1.00 0.00 C ATOM 77 CG1 VAL A 88 -0.569 10.812 -6.652 1.00 0.00 C ATOM 78 CG2 VAL A 88 -3.062 10.712 -6.556 1.00 0.00 C ATOM 0 H VAL A 88 -3.536 8.601 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.209 8.391 -6.358 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.756 10.938 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.621 11.882 -6.853 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.353 10.588 -6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.583 10.265 -7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.113 11.783 -6.755 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.076 10.166 -7.500 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.919 10.414 -5.952 1.00 0.00 H new ATOM 88 N ALA A 89 0.402 8.514 -4.359 1.00 0.00 N ATOM 89 CA ALA A 89 1.237 8.279 -3.148 1.00 0.00 C ATOM 90 C ALA A 89 1.526 9.616 -2.464 1.00 0.00 C ATOM 91 O ALA A 89 2.167 10.484 -3.021 1.00 0.00 O ATOM 92 CB ALA A 89 2.554 7.616 -3.556 1.00 0.00 C ATOM 0 H ALA A 89 0.915 8.555 -5.240 1.00 0.00 H new ATOM 0 HA ALA A 89 0.703 7.626 -2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.165 7.444 -2.670 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.346 6.664 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.091 8.267 -4.246 1.00 0.00 H new ATOM 98 N LEU A 90 1.052 9.791 -1.260 1.00 0.00 N ATOM 99 CA LEU A 90 1.295 11.074 -0.544 1.00 0.00 C ATOM 100 C LEU A 90 2.682 11.040 0.102 1.00 0.00 C ATOM 101 O LEU A 90 3.215 12.054 0.506 1.00 0.00 O ATOM 102 CB LEU A 90 0.236 11.269 0.548 1.00 0.00 C ATOM 103 CG LEU A 90 -1.121 10.746 0.067 1.00 0.00 C ATOM 104 CD1 LEU A 90 -1.650 9.713 1.064 1.00 0.00 C ATOM 105 CD2 LEU A 90 -2.110 11.909 -0.030 1.00 0.00 C ATOM 0 H LEU A 90 0.508 9.101 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 90 1.238 11.898 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.536 10.743 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.157 12.326 0.804 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.005 10.283 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.616 9.340 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.946 8.884 1.137 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.766 10.178 2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.076 11.538 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.226 12.371 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -1.734 12.648 -0.737 1.00 0.00 H new ATOM 117 N TYR A 91 3.268 9.879 0.205 1.00 0.00 N ATOM 118 CA TYR A 91 4.618 9.781 0.828 1.00 0.00 C ATOM 119 C TYR A 91 5.478 8.794 0.037 1.00 0.00 C ATOM 120 O TYR A 91 4.982 7.843 -0.534 1.00 0.00 O ATOM 121 CB TYR A 91 4.474 9.289 2.271 1.00 0.00 C ATOM 122 CG TYR A 91 3.448 10.131 2.990 1.00 0.00 C ATOM 123 CD1 TYR A 91 3.827 11.338 3.587 1.00 0.00 C ATOM 124 CD2 TYR A 91 2.116 9.702 3.063 1.00 0.00 C ATOM 125 CE1 TYR A 91 2.877 12.119 4.255 1.00 0.00 C ATOM 126 CE2 TYR A 91 1.165 10.483 3.731 1.00 0.00 C ATOM 127 CZ TYR A 91 1.546 11.690 4.327 1.00 0.00 C ATOM 128 OH TYR A 91 0.608 12.460 4.987 1.00 0.00 O ATOM 0 H TYR A 91 2.871 8.995 -0.115 1.00 0.00 H new ATOM 0 HA TYR A 91 5.094 10.761 0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.172 8.242 2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.434 9.349 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.854 11.668 3.532 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.823 8.769 2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.170 13.051 4.714 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.138 10.154 3.786 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.266 12.020 4.943 1.00 0.00 H new ATOM 138 N ASP A 92 6.766 9.008 0.002 1.00 0.00 N ATOM 139 CA ASP A 92 7.657 8.080 -0.749 1.00 0.00 C ATOM 140 C ASP A 92 7.707 6.732 -0.027 1.00 0.00 C ATOM 141 O ASP A 92 7.596 6.662 1.181 1.00 0.00 O ATOM 142 CB ASP A 92 9.066 8.672 -0.822 1.00 0.00 C ATOM 143 CG ASP A 92 8.976 10.196 -0.929 1.00 0.00 C ATOM 144 OD1 ASP A 92 8.953 10.842 0.106 1.00 0.00 O ATOM 145 OD2 ASP A 92 8.929 10.690 -2.044 1.00 0.00 O ATOM 0 H ASP A 92 7.239 9.786 0.462 1.00 0.00 H new ATOM 0 HA ASP A 92 7.270 7.940 -1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.636 8.392 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 92 9.598 8.267 -1.683 1.00 0.00 H new ATOM 150 N TYR A 93 7.870 5.660 -0.753 1.00 0.00 N ATOM 151 CA TYR A 93 7.922 4.321 -0.100 1.00 0.00 C ATOM 152 C TYR A 93 8.970 3.450 -0.798 1.00 0.00 C ATOM 153 O TYR A 93 9.146 3.513 -1.998 1.00 0.00 O ATOM 154 CB TYR A 93 6.550 3.650 -0.203 1.00 0.00 C ATOM 155 CG TYR A 93 6.654 2.210 0.237 1.00 0.00 C ATOM 156 CD1 TYR A 93 6.953 1.905 1.571 1.00 0.00 C ATOM 157 CD2 TYR A 93 6.450 1.179 -0.687 1.00 0.00 C ATOM 158 CE1 TYR A 93 7.047 0.570 1.980 1.00 0.00 C ATOM 159 CE2 TYR A 93 6.544 -0.157 -0.278 1.00 0.00 C ATOM 160 CZ TYR A 93 6.842 -0.462 1.055 1.00 0.00 C ATOM 161 OH TYR A 93 6.934 -1.778 1.458 1.00 0.00 O ATOM 0 H TYR A 93 7.969 5.653 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 93 8.191 4.440 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.828 4.179 0.419 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.185 3.702 -1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.111 2.700 2.284 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.220 1.414 -1.716 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.278 0.335 3.009 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.386 -0.952 -0.991 1.00 0.00 H new ATOM 0 HH TYR A 93 6.082 -2.059 1.853 1.00 0.00 H new ATOM 171 N GLU A 94 9.667 2.635 -0.052 1.00 0.00 N ATOM 172 CA GLU A 94 10.703 1.760 -0.670 1.00 0.00 C ATOM 173 C GLU A 94 10.316 0.293 -0.472 1.00 0.00 C ATOM 174 O GLU A 94 10.252 -0.197 0.638 1.00 0.00 O ATOM 175 CB GLU A 94 12.055 2.025 -0.005 1.00 0.00 C ATOM 176 CG GLU A 94 12.367 3.521 -0.057 1.00 0.00 C ATOM 177 CD GLU A 94 13.866 3.723 -0.285 1.00 0.00 C ATOM 178 OE1 GLU A 94 14.272 3.751 -1.435 1.00 0.00 O ATOM 179 OE2 GLU A 94 14.582 3.846 0.695 1.00 0.00 O ATOM 0 H GLU A 94 9.563 2.538 0.958 1.00 0.00 H new ATOM 0 HA GLU A 94 10.773 1.976 -1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.036 1.683 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.838 1.462 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.800 3.994 -0.859 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.062 3.999 0.874 1.00 0.00 H new ATOM 186 N ALA A 95 10.056 -0.413 -1.539 1.00 0.00 N ATOM 187 CA ALA A 95 9.674 -1.847 -1.408 1.00 0.00 C ATOM 188 C ALA A 95 10.714 -2.576 -0.555 1.00 0.00 C ATOM 189 O ALA A 95 11.744 -3.000 -1.041 1.00 0.00 O ATOM 190 CB ALA A 95 9.610 -2.488 -2.796 1.00 0.00 C ATOM 0 H ALA A 95 10.092 -0.059 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 95 8.697 -1.920 -0.930 1.00 0.00 H new ATOM 0 HB1 ALA A 95 9.331 -3.537 -2.700 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.868 -1.969 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.586 -2.415 -3.276 1.00 0.00 H new ATOM 196 N ARG A 96 10.453 -2.727 0.715 1.00 0.00 N ATOM 197 CA ARG A 96 11.426 -3.429 1.600 1.00 0.00 C ATOM 198 C ARG A 96 11.396 -4.929 1.302 1.00 0.00 C ATOM 199 O ARG A 96 12.295 -5.661 1.665 1.00 0.00 O ATOM 200 CB ARG A 96 11.046 -3.193 3.063 1.00 0.00 C ATOM 201 CG ARG A 96 12.263 -3.447 3.956 1.00 0.00 C ATOM 202 CD ARG A 96 13.161 -2.209 3.960 1.00 0.00 C ATOM 203 NE ARG A 96 12.367 -1.022 4.388 1.00 0.00 N ATOM 204 CZ ARG A 96 12.512 -0.541 5.592 1.00 0.00 C ATOM 205 NH1 ARG A 96 12.963 -1.305 6.549 1.00 0.00 N ATOM 206 NH2 ARG A 96 12.208 0.704 5.840 1.00 0.00 N ATOM 0 H ARG A 96 9.607 -2.394 1.178 1.00 0.00 H new ATOM 0 HA ARG A 96 12.428 -3.042 1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 96 10.691 -2.171 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.228 -3.855 3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 96 11.940 -3.678 4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 96 12.819 -4.311 3.593 1.00 0.00 H new ATOM 0 HD2 ARG A 96 14.003 -2.359 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 96 13.575 -2.044 2.965 1.00 0.00 H new ATOM 0 HE ARG A 96 11.711 -0.586 3.740 1.00 0.00 H new ATOM 0 HH11 ARG A 96 13.202 -2.278 6.355 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.077 -0.930 7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 96 11.857 1.302 5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.322 1.079 6.782 1.00 0.00 H new ATOM 220 N THR A 97 10.368 -5.393 0.645 1.00 0.00 N ATOM 221 CA THR A 97 10.281 -6.847 0.327 1.00 0.00 C ATOM 222 C THR A 97 10.227 -7.032 -1.191 1.00 0.00 C ATOM 223 O THR A 97 10.441 -6.104 -1.947 1.00 0.00 O ATOM 224 CB THR A 97 9.015 -7.445 0.956 1.00 0.00 C ATOM 225 OG1 THR A 97 7.983 -7.493 -0.018 1.00 0.00 O ATOM 226 CG2 THR A 97 8.560 -6.588 2.141 1.00 0.00 C ATOM 0 H THR A 97 9.585 -4.829 0.315 1.00 0.00 H new ATOM 0 HA THR A 97 11.157 -7.355 0.730 1.00 0.00 H new ATOM 0 HB THR A 97 9.234 -8.452 1.310 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.317 -6.801 0.177 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.661 -7.021 2.580 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.350 -6.555 2.891 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.344 -5.576 1.797 1.00 0.00 H new ATOM 234 N GLU A 98 9.944 -8.222 -1.645 1.00 0.00 N ATOM 235 CA GLU A 98 9.875 -8.461 -3.114 1.00 0.00 C ATOM 236 C GLU A 98 8.432 -8.293 -3.590 1.00 0.00 C ATOM 237 O GLU A 98 8.179 -7.983 -4.737 1.00 0.00 O ATOM 238 CB GLU A 98 10.355 -9.881 -3.423 1.00 0.00 C ATOM 239 CG GLU A 98 9.444 -10.892 -2.723 1.00 0.00 C ATOM 240 CD GLU A 98 8.469 -11.492 -3.739 1.00 0.00 C ATOM 241 OE1 GLU A 98 8.329 -10.918 -4.807 1.00 0.00 O ATOM 242 OE2 GLU A 98 7.880 -12.515 -3.433 1.00 0.00 O ATOM 0 H GLU A 98 9.758 -9.038 -1.063 1.00 0.00 H new ATOM 0 HA GLU A 98 10.513 -7.743 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.347 -10.053 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.384 -10.009 -3.087 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.042 -11.681 -2.267 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.893 -10.405 -1.919 1.00 0.00 H new ATOM 249 N ASP A 99 7.481 -8.498 -2.719 1.00 0.00 N ATOM 250 CA ASP A 99 6.055 -8.352 -3.123 1.00 0.00 C ATOM 251 C ASP A 99 5.635 -6.885 -3.000 1.00 0.00 C ATOM 252 O ASP A 99 4.637 -6.467 -3.553 1.00 0.00 O ATOM 253 CB ASP A 99 5.177 -9.211 -2.212 1.00 0.00 C ATOM 254 CG ASP A 99 5.418 -8.820 -0.754 1.00 0.00 C ATOM 255 OD1 ASP A 99 4.956 -7.762 -0.361 1.00 0.00 O ATOM 256 OD2 ASP A 99 6.064 -9.585 -0.056 1.00 0.00 O ATOM 0 H ASP A 99 7.631 -8.760 -1.745 1.00 0.00 H new ATOM 0 HA ASP A 99 5.936 -8.678 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.126 -9.074 -2.467 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.406 -10.267 -2.359 1.00 0.00 H new ATOM 261 N ASP A 100 6.386 -6.102 -2.275 1.00 0.00 N ATOM 262 CA ASP A 100 6.025 -4.665 -2.115 1.00 0.00 C ATOM 263 C ASP A 100 6.490 -3.877 -3.342 1.00 0.00 C ATOM 264 O ASP A 100 7.196 -4.386 -4.189 1.00 0.00 O ATOM 265 CB ASP A 100 6.706 -4.108 -0.863 1.00 0.00 C ATOM 266 CG ASP A 100 5.903 -4.508 0.376 1.00 0.00 C ATOM 267 OD1 ASP A 100 4.799 -4.011 0.528 1.00 0.00 O ATOM 268 OD2 ASP A 100 6.405 -5.307 1.151 1.00 0.00 O ATOM 0 H ASP A 100 7.233 -6.395 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 100 4.944 -4.572 -2.016 1.00 0.00 H new ATOM 0 HB2 ASP A 100 7.724 -4.491 -0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 100 6.778 -3.022 -0.928 1.00 0.00 H new ATOM 273 N LEU A 101 6.095 -2.636 -3.445 1.00 0.00 N ATOM 274 CA LEU A 101 6.511 -1.814 -4.616 1.00 0.00 C ATOM 275 C LEU A 101 7.313 -0.603 -4.136 1.00 0.00 C ATOM 276 O LEU A 101 7.380 -0.318 -2.958 1.00 0.00 O ATOM 277 CB LEU A 101 5.266 -1.333 -5.365 1.00 0.00 C ATOM 278 CG LEU A 101 4.451 -2.542 -5.823 1.00 0.00 C ATOM 279 CD1 LEU A 101 2.960 -2.203 -5.780 1.00 0.00 C ATOM 280 CD2 LEU A 101 4.850 -2.910 -7.254 1.00 0.00 C ATOM 0 H LEU A 101 5.502 -2.157 -2.768 1.00 0.00 H new ATOM 0 HA LEU A 101 7.130 -2.417 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.662 -0.697 -4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.556 -0.729 -6.225 1.00 0.00 H new ATOM 0 HG LEU A 101 4.648 -3.385 -5.160 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.381 -3.067 -6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.676 -1.940 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.759 -1.360 -6.441 1.00 0.00 H new ATOM 0 HD21 LEU A 101 4.270 -3.772 -7.583 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.653 -2.066 -7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 101 5.912 -3.154 -7.284 1.00 0.00 H new ATOM 292 N SER A 102 7.921 0.110 -5.043 1.00 0.00 N ATOM 293 CA SER A 102 8.717 1.305 -4.645 1.00 0.00 C ATOM 294 C SER A 102 8.338 2.485 -5.539 1.00 0.00 C ATOM 295 O SER A 102 8.068 2.324 -6.713 1.00 0.00 O ATOM 296 CB SER A 102 10.207 1.000 -4.807 1.00 0.00 C ATOM 297 OG SER A 102 10.955 1.839 -3.938 1.00 0.00 O ATOM 0 H SER A 102 7.901 -0.084 -6.044 1.00 0.00 H new ATOM 0 HA SER A 102 8.509 1.554 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 102 10.403 -0.047 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 102 10.513 1.162 -5.840 1.00 0.00 H new ATOM 0 HG SER A 102 11.910 1.645 -4.038 1.00 0.00 H new ATOM 303 N PHE A 103 8.312 3.672 -4.998 1.00 0.00 N ATOM 304 CA PHE A 103 7.946 4.856 -5.826 1.00 0.00 C ATOM 305 C PHE A 103 8.160 6.138 -5.019 1.00 0.00 C ATOM 306 O PHE A 103 8.599 6.105 -3.886 1.00 0.00 O ATOM 307 CB PHE A 103 6.476 4.755 -6.237 1.00 0.00 C ATOM 308 CG PHE A 103 5.636 4.415 -5.028 1.00 0.00 C ATOM 309 CD1 PHE A 103 5.228 5.429 -4.154 1.00 0.00 C ATOM 310 CD2 PHE A 103 5.265 3.088 -4.785 1.00 0.00 C ATOM 311 CE1 PHE A 103 4.448 5.115 -3.034 1.00 0.00 C ATOM 312 CE2 PHE A 103 4.483 2.774 -3.666 1.00 0.00 C ATOM 313 CZ PHE A 103 4.075 3.788 -2.790 1.00 0.00 C ATOM 0 H PHE A 103 8.528 3.873 -4.022 1.00 0.00 H new ATOM 0 HA PHE A 103 8.575 4.881 -6.716 1.00 0.00 H new ATOM 0 HB2 PHE A 103 6.143 5.698 -6.671 1.00 0.00 H new ATOM 0 HB3 PHE A 103 6.354 3.991 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.514 6.453 -4.343 1.00 0.00 H new ATOM 0 HD2 PHE A 103 5.581 2.306 -5.460 1.00 0.00 H new ATOM 0 HE1 PHE A 103 4.134 5.897 -2.358 1.00 0.00 H new ATOM 0 HE2 PHE A 103 4.195 1.750 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 103 3.473 3.546 -1.927 1.00 0.00 H new ATOM 323 N HIS A 104 7.852 7.266 -5.596 1.00 0.00 N ATOM 324 CA HIS A 104 8.034 8.553 -4.868 1.00 0.00 C ATOM 325 C HIS A 104 6.672 9.225 -4.680 1.00 0.00 C ATOM 326 O HIS A 104 5.819 9.170 -5.542 1.00 0.00 O ATOM 327 CB HIS A 104 8.948 9.474 -5.680 1.00 0.00 C ATOM 328 CG HIS A 104 10.381 9.221 -5.300 1.00 0.00 C ATOM 329 ND1 HIS A 104 10.954 9.780 -4.169 1.00 0.00 N ATOM 330 CD2 HIS A 104 11.369 8.476 -5.893 1.00 0.00 C ATOM 331 CE1 HIS A 104 12.234 9.366 -4.118 1.00 0.00 C ATOM 332 NE2 HIS A 104 12.538 8.568 -5.145 1.00 0.00 N ATOM 0 H HIS A 104 7.481 7.352 -6.542 1.00 0.00 H new ATOM 0 HA HIS A 104 8.485 8.361 -3.894 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.807 9.296 -6.746 1.00 0.00 H new ATOM 0 HB3 HIS A 104 8.690 10.516 -5.494 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.491 10.393 -3.498 1.00 0.00 H new ATOM 0 HD2 HIS A 104 11.256 7.905 -6.803 1.00 0.00 H new ATOM 0 HE1 HIS A 104 12.930 9.645 -3.341 1.00 0.00 H new ATOM 340 N LYS A 105 6.461 9.859 -3.559 1.00 0.00 N ATOM 341 CA LYS A 105 5.153 10.531 -3.321 1.00 0.00 C ATOM 342 C LYS A 105 4.799 11.399 -4.530 1.00 0.00 C ATOM 343 O LYS A 105 5.509 12.325 -4.872 1.00 0.00 O ATOM 344 CB LYS A 105 5.248 11.410 -2.073 1.00 0.00 C ATOM 345 CG LYS A 105 6.224 12.559 -2.328 1.00 0.00 C ATOM 346 CD LYS A 105 6.704 13.125 -0.991 1.00 0.00 C ATOM 347 CE LYS A 105 7.222 14.550 -1.192 1.00 0.00 C ATOM 348 NZ LYS A 105 6.307 15.511 -0.513 1.00 0.00 N ATOM 0 H LYS A 105 7.137 9.940 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 105 4.380 9.777 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.264 11.805 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 105 5.583 10.816 -1.223 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.074 12.206 -2.912 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.738 13.340 -2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.887 13.123 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 105 7.493 12.495 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 105 8.230 14.643 -0.787 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.284 14.779 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.658 16.480 -0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.353 15.428 -0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.270 15.296 0.504 1.00 0.00 H new ATOM 362 N GLY A 106 3.706 11.109 -5.181 1.00 0.00 N ATOM 363 CA GLY A 106 3.307 11.920 -6.366 1.00 0.00 C ATOM 364 C GLY A 106 3.028 10.993 -7.551 1.00 0.00 C ATOM 365 O GLY A 106 2.504 11.406 -8.565 1.00 0.00 O ATOM 0 H GLY A 106 3.072 10.346 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 106 2.419 12.508 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.099 12.624 -6.621 1.00 0.00 H new ATOM 369 N GLU A 107 3.375 9.741 -7.430 1.00 0.00 N ATOM 370 CA GLU A 107 3.131 8.789 -8.550 1.00 0.00 C ATOM 371 C GLU A 107 1.690 8.278 -8.481 1.00 0.00 C ATOM 372 O GLU A 107 1.166 8.012 -7.418 1.00 0.00 O ATOM 373 CB GLU A 107 4.099 7.610 -8.433 1.00 0.00 C ATOM 374 CG GLU A 107 4.382 7.041 -9.825 1.00 0.00 C ATOM 375 CD GLU A 107 5.763 6.381 -9.833 1.00 0.00 C ATOM 376 OE1 GLU A 107 6.733 7.077 -9.581 1.00 0.00 O ATOM 377 OE2 GLU A 107 5.828 5.191 -10.093 1.00 0.00 O ATOM 0 H GLU A 107 3.817 9.336 -6.604 1.00 0.00 H new ATOM 0 HA GLU A 107 3.289 9.296 -9.502 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.029 7.934 -7.965 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.672 6.838 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.617 6.313 -10.095 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.342 7.836 -10.570 1.00 0.00 H new ATOM 384 N LYS A 108 1.045 8.136 -9.607 1.00 0.00 N ATOM 385 CA LYS A 108 -0.361 7.642 -9.605 1.00 0.00 C ATOM 386 C LYS A 108 -0.361 6.119 -9.453 1.00 0.00 C ATOM 387 O LYS A 108 0.649 5.469 -9.638 1.00 0.00 O ATOM 388 CB LYS A 108 -1.040 8.027 -10.921 1.00 0.00 C ATOM 389 CG LYS A 108 -1.744 9.375 -10.756 1.00 0.00 C ATOM 390 CD LYS A 108 -0.711 10.503 -10.815 1.00 0.00 C ATOM 391 CE LYS A 108 -1.416 11.830 -11.103 1.00 0.00 C ATOM 392 NZ LYS A 108 -0.773 12.490 -12.275 1.00 0.00 N ATOM 0 H LYS A 108 1.431 8.341 -10.528 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.906 8.091 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.301 8.086 -11.720 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.760 7.261 -11.209 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -2.487 9.507 -11.542 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.276 9.405 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.170 10.564 -9.871 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.026 10.295 -11.591 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.473 11.656 -11.305 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.361 12.480 -10.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.252 13.392 -12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.230 12.669 -12.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.848 11.870 -13.107 1.00 0.00 H new ATOM 406 N PHE A 109 -1.483 5.542 -9.113 1.00 0.00 N ATOM 407 CA PHE A 109 -1.535 4.061 -8.947 1.00 0.00 C ATOM 408 C PHE A 109 -2.935 3.549 -9.293 1.00 0.00 C ATOM 409 O PHE A 109 -3.930 4.171 -8.979 1.00 0.00 O ATOM 410 CB PHE A 109 -1.214 3.702 -7.495 1.00 0.00 C ATOM 411 CG PHE A 109 0.280 3.725 -7.283 1.00 0.00 C ATOM 412 CD1 PHE A 109 0.916 4.916 -6.910 1.00 0.00 C ATOM 413 CD2 PHE A 109 1.029 2.556 -7.454 1.00 0.00 C ATOM 414 CE1 PHE A 109 2.300 4.938 -6.710 1.00 0.00 C ATOM 415 CE2 PHE A 109 2.415 2.577 -7.254 1.00 0.00 C ATOM 416 CZ PHE A 109 3.050 3.768 -6.881 1.00 0.00 C ATOM 0 H PHE A 109 -2.362 6.030 -8.944 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.806 3.600 -9.613 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -1.698 4.408 -6.820 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.609 2.714 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.337 5.818 -6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.539 1.637 -7.740 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.790 5.857 -6.424 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.994 1.675 -7.387 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.119 3.784 -6.725 1.00 0.00 H new ATOM 426 N GLN A 110 -3.019 2.411 -9.928 1.00 0.00 N ATOM 427 CA GLN A 110 -4.354 1.851 -10.282 1.00 0.00 C ATOM 428 C GLN A 110 -4.739 0.789 -9.248 1.00 0.00 C ATOM 429 O GLN A 110 -4.275 -0.332 -9.295 1.00 0.00 O ATOM 430 CB GLN A 110 -4.289 1.214 -11.673 1.00 0.00 C ATOM 431 CG GLN A 110 -4.448 2.297 -12.742 1.00 0.00 C ATOM 432 CD GLN A 110 -5.929 2.640 -12.908 1.00 0.00 C ATOM 433 OE1 GLN A 110 -6.595 2.988 -11.953 1.00 0.00 O ATOM 434 NE2 GLN A 110 -6.479 2.555 -14.089 1.00 0.00 N ATOM 0 H GLN A 110 -2.221 1.845 -10.217 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.099 2.647 -10.287 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -3.338 0.697 -11.803 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -5.075 0.466 -11.779 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -3.888 3.188 -12.458 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -4.036 1.950 -13.690 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -5.921 2.263 -14.892 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -7.466 2.781 -14.209 1.00 0.00 H new ATOM 443 N ILE A 111 -5.577 1.136 -8.308 1.00 0.00 N ATOM 444 CA ILE A 111 -5.980 0.146 -7.267 1.00 0.00 C ATOM 445 C ILE A 111 -6.948 -0.877 -7.866 1.00 0.00 C ATOM 446 O ILE A 111 -8.001 -0.532 -8.365 1.00 0.00 O ATOM 447 CB ILE A 111 -6.670 0.871 -6.109 1.00 0.00 C ATOM 448 CG1 ILE A 111 -5.705 1.885 -5.491 1.00 0.00 C ATOM 449 CG2 ILE A 111 -7.084 -0.146 -5.046 1.00 0.00 C ATOM 450 CD1 ILE A 111 -4.352 1.218 -5.240 1.00 0.00 C ATOM 0 H ILE A 111 -5.999 2.060 -8.216 1.00 0.00 H new ATOM 0 HA ILE A 111 -5.090 -0.367 -6.903 1.00 0.00 H new ATOM 0 HB ILE A 111 -7.553 1.390 -6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -5.583 2.739 -6.157 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -6.113 2.267 -4.555 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -7.575 0.370 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -7.772 -0.870 -5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.200 -0.664 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.666 1.941 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.481 0.378 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -3.943 0.858 -6.184 1.00 0.00 H new ATOM 462 N LEU A 112 -6.604 -2.135 -7.811 1.00 0.00 N ATOM 463 CA LEU A 112 -7.510 -3.183 -8.364 1.00 0.00 C ATOM 464 C LEU A 112 -8.147 -3.947 -7.204 1.00 0.00 C ATOM 465 O LEU A 112 -9.285 -4.370 -7.272 1.00 0.00 O ATOM 466 CB LEU A 112 -6.708 -4.154 -9.233 1.00 0.00 C ATOM 467 CG LEU A 112 -5.553 -3.409 -9.904 1.00 0.00 C ATOM 468 CD1 LEU A 112 -4.667 -4.410 -10.648 1.00 0.00 C ATOM 469 CD2 LEU A 112 -6.114 -2.389 -10.898 1.00 0.00 C ATOM 0 H LEU A 112 -5.734 -2.483 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.284 -2.715 -8.973 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.322 -4.970 -8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.354 -4.600 -9.989 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.963 -2.893 -9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.843 -3.881 -11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.269 -5.138 -9.942 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.257 -4.925 -11.406 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.292 -1.857 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.703 -2.906 -11.656 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.748 -1.677 -10.370 1.00 0.00 H new ATOM 481 N ASN A 113 -7.420 -4.121 -6.135 1.00 0.00 N ATOM 482 CA ASN A 113 -7.971 -4.851 -4.959 1.00 0.00 C ATOM 483 C ASN A 113 -7.668 -4.053 -3.688 1.00 0.00 C ATOM 484 O ASN A 113 -6.529 -3.755 -3.391 1.00 0.00 O ATOM 485 CB ASN A 113 -7.320 -6.233 -4.861 1.00 0.00 C ATOM 486 CG ASN A 113 -8.393 -7.317 -4.988 1.00 0.00 C ATOM 487 OD1 ASN A 113 -9.142 -7.338 -5.944 1.00 0.00 O ATOM 488 ND2 ASN A 113 -8.497 -8.227 -4.058 1.00 0.00 N ATOM 0 H ASN A 113 -6.463 -3.787 -6.025 1.00 0.00 H new ATOM 0 HA ASN A 113 -9.049 -4.969 -5.073 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -6.575 -6.351 -5.647 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -6.798 -6.334 -3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.207 -8.955 -4.134 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -7.868 -8.210 -3.255 1.00 0.00 H new ATOM 495 N SER A 114 -8.675 -3.702 -2.936 1.00 0.00 N ATOM 496 CA SER A 114 -8.433 -2.922 -1.689 1.00 0.00 C ATOM 497 C SER A 114 -9.588 -3.142 -0.710 1.00 0.00 C ATOM 498 O SER A 114 -10.521 -2.366 -0.651 1.00 0.00 O ATOM 499 CB SER A 114 -8.332 -1.434 -2.029 1.00 0.00 C ATOM 500 OG SER A 114 -9.437 -1.064 -2.845 1.00 0.00 O ATOM 0 H SER A 114 -9.652 -3.921 -3.130 1.00 0.00 H new ATOM 0 HA SER A 114 -7.502 -3.256 -1.231 1.00 0.00 H new ATOM 0 HB2 SER A 114 -8.324 -0.840 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 114 -7.396 -1.230 -2.549 1.00 0.00 H new ATOM 0 HG SER A 114 -10.271 -1.335 -2.408 1.00 0.00 H new ATOM 506 N SER A 115 -9.530 -4.191 0.063 1.00 0.00 N ATOM 507 CA SER A 115 -10.624 -4.456 1.040 1.00 0.00 C ATOM 508 C SER A 115 -10.049 -4.465 2.456 1.00 0.00 C ATOM 509 O SER A 115 -10.162 -3.502 3.190 1.00 0.00 O ATOM 510 CB SER A 115 -11.261 -5.812 0.739 1.00 0.00 C ATOM 511 OG SER A 115 -12.215 -6.116 1.748 1.00 0.00 O ATOM 0 H SER A 115 -8.774 -4.875 0.061 1.00 0.00 H new ATOM 0 HA SER A 115 -11.380 -3.675 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.742 -5.792 -0.239 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.495 -6.586 0.701 1.00 0.00 H new ATOM 0 HG SER A 115 -12.627 -6.984 1.558 1.00 0.00 H new ATOM 517 N GLU A 116 -9.433 -5.545 2.846 1.00 0.00 N ATOM 518 CA GLU A 116 -8.851 -5.618 4.216 1.00 0.00 C ATOM 519 C GLU A 116 -7.326 -5.508 4.129 1.00 0.00 C ATOM 520 O GLU A 116 -6.778 -5.137 3.111 1.00 0.00 O ATOM 521 CB GLU A 116 -9.231 -6.951 4.863 1.00 0.00 C ATOM 522 CG GLU A 116 -8.802 -8.105 3.955 1.00 0.00 C ATOM 523 CD GLU A 116 -8.326 -9.280 4.812 1.00 0.00 C ATOM 524 OE1 GLU A 116 -7.497 -9.057 5.679 1.00 0.00 O ATOM 525 OE2 GLU A 116 -8.799 -10.381 4.588 1.00 0.00 O ATOM 0 H GLU A 116 -9.307 -6.381 2.276 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.241 -4.798 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -8.750 -7.044 5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.307 -6.990 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.636 -8.415 3.325 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.003 -7.780 3.289 1.00 0.00 H new ATOM 532 N GLY A 117 -6.639 -5.825 5.192 1.00 0.00 N ATOM 533 CA GLY A 117 -5.150 -5.738 5.172 1.00 0.00 C ATOM 534 C GLY A 117 -4.726 -4.284 4.953 1.00 0.00 C ATOM 535 O GLY A 117 -5.530 -3.437 4.618 1.00 0.00 O ATOM 0 H GLY A 117 -7.044 -6.140 6.074 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -4.741 -6.110 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -4.749 -6.368 4.378 1.00 0.00 H new ATOM 539 N ASP A 118 -3.467 -3.988 5.137 1.00 0.00 N ATOM 540 CA ASP A 118 -2.994 -2.589 4.938 1.00 0.00 C ATOM 541 C ASP A 118 -2.177 -2.505 3.646 1.00 0.00 C ATOM 542 O ASP A 118 -1.395 -1.596 3.454 1.00 0.00 O ATOM 543 CB ASP A 118 -2.119 -2.171 6.123 1.00 0.00 C ATOM 544 CG ASP A 118 -2.347 -0.689 6.427 1.00 0.00 C ATOM 545 OD1 ASP A 118 -3.482 -0.326 6.686 1.00 0.00 O ATOM 546 OD2 ASP A 118 -1.382 0.056 6.397 1.00 0.00 O ATOM 0 H ASP A 118 -2.747 -4.654 5.416 1.00 0.00 H new ATOM 0 HA ASP A 118 -3.854 -1.922 4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -2.361 -2.774 6.998 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.068 -2.349 5.894 1.00 0.00 H new ATOM 551 N TRP A 119 -2.352 -3.447 2.759 1.00 0.00 N ATOM 552 CA TRP A 119 -1.586 -3.418 1.481 1.00 0.00 C ATOM 553 C TRP A 119 -2.539 -3.663 0.309 1.00 0.00 C ATOM 554 O TRP A 119 -3.068 -4.745 0.144 1.00 0.00 O ATOM 555 CB TRP A 119 -0.517 -4.512 1.499 1.00 0.00 C ATOM 556 CG TRP A 119 0.387 -4.314 2.673 1.00 0.00 C ATOM 557 CD1 TRP A 119 0.184 -4.832 3.907 1.00 0.00 C ATOM 558 CD2 TRP A 119 1.631 -3.557 2.746 1.00 0.00 C ATOM 559 NE1 TRP A 119 1.224 -4.443 4.731 1.00 0.00 N ATOM 560 CE2 TRP A 119 2.140 -3.655 4.063 1.00 0.00 C ATOM 561 CE3 TRP A 119 2.358 -2.802 1.808 1.00 0.00 C ATOM 562 CZ2 TRP A 119 3.330 -3.027 4.434 1.00 0.00 C ATOM 563 CZ3 TRP A 119 3.555 -2.169 2.179 1.00 0.00 C ATOM 564 CH2 TRP A 119 4.040 -2.282 3.490 1.00 0.00 C ATOM 0 H TRP A 119 -2.992 -4.234 2.864 1.00 0.00 H new ATOM 0 HA TRP A 119 -1.109 -2.444 1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 119 -0.988 -5.493 1.552 1.00 0.00 H new ATOM 0 HB3 TRP A 119 0.060 -4.485 0.575 1.00 0.00 H new ATOM 0 HD1 TRP A 119 -0.653 -5.448 4.200 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.305 -4.706 5.713 1.00 0.00 H new ATOM 0 HE3 TRP A 119 1.993 -2.709 0.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 3.699 -3.117 5.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 4.105 -1.592 1.451 1.00 0.00 H new ATOM 0 HH2 TRP A 119 4.962 -1.793 3.769 1.00 0.00 H new ATOM 575 N TRP A 120 -2.761 -2.671 -0.508 1.00 0.00 N ATOM 576 CA TRP A 120 -3.677 -2.855 -1.669 1.00 0.00 C ATOM 577 C TRP A 120 -2.865 -3.255 -2.900 1.00 0.00 C ATOM 578 O TRP A 120 -1.718 -2.881 -3.047 1.00 0.00 O ATOM 579 CB TRP A 120 -4.408 -1.543 -1.963 1.00 0.00 C ATOM 580 CG TRP A 120 -5.319 -1.201 -0.829 1.00 0.00 C ATOM 581 CD1 TRP A 120 -5.627 -2.022 0.202 1.00 0.00 C ATOM 582 CD2 TRP A 120 -6.047 0.039 -0.599 1.00 0.00 C ATOM 583 NE1 TRP A 120 -6.498 -1.362 1.051 1.00 0.00 N ATOM 584 CE2 TRP A 120 -6.787 -0.089 0.600 1.00 0.00 C ATOM 585 CE3 TRP A 120 -6.135 1.249 -1.308 1.00 0.00 C ATOM 586 CZ2 TRP A 120 -7.585 0.950 1.079 1.00 0.00 C ATOM 587 CZ3 TRP A 120 -6.938 2.297 -0.830 1.00 0.00 C ATOM 588 CH2 TRP A 120 -7.662 2.147 0.363 1.00 0.00 C ATOM 0 H TRP A 120 -2.349 -1.742 -0.422 1.00 0.00 H new ATOM 0 HA TRP A 120 -4.401 -3.634 -1.432 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -3.686 -0.741 -2.115 1.00 0.00 H new ATOM 0 HB3 TRP A 120 -4.981 -1.635 -2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 120 -5.255 -3.026 0.339 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -6.880 -1.766 1.906 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -5.581 1.374 -2.227 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -8.140 0.830 1.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -6.999 3.223 -1.383 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -8.278 2.956 0.727 1.00 0.00 H new ATOM 599 N GLU A 121 -3.454 -3.998 -3.795 1.00 0.00 N ATOM 600 CA GLU A 121 -2.717 -4.405 -5.025 1.00 0.00 C ATOM 601 C GLU A 121 -2.867 -3.296 -6.066 1.00 0.00 C ATOM 602 O GLU A 121 -3.868 -3.206 -6.749 1.00 0.00 O ATOM 603 CB GLU A 121 -3.298 -5.713 -5.581 1.00 0.00 C ATOM 604 CG GLU A 121 -4.028 -6.478 -4.472 1.00 0.00 C ATOM 605 CD GLU A 121 -4.301 -7.911 -4.932 1.00 0.00 C ATOM 606 OE1 GLU A 121 -4.416 -8.116 -6.129 1.00 0.00 O ATOM 607 OE2 GLU A 121 -4.390 -8.779 -4.079 1.00 0.00 O ATOM 0 H GLU A 121 -4.412 -4.341 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 121 -1.665 -4.564 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -3.986 -5.496 -6.398 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -2.499 -6.329 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -3.425 -6.485 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -4.966 -5.979 -4.228 1.00 0.00 H new ATOM 614 N ALA A 122 -1.890 -2.440 -6.184 1.00 0.00 N ATOM 615 CA ALA A 122 -1.992 -1.330 -7.172 1.00 0.00 C ATOM 616 C ALA A 122 -0.989 -1.545 -8.305 1.00 0.00 C ATOM 617 O ALA A 122 0.123 -1.984 -8.092 1.00 0.00 O ATOM 618 CB ALA A 122 -1.693 0.000 -6.477 1.00 0.00 C ATOM 0 H ALA A 122 -1.027 -2.461 -5.640 1.00 0.00 H new ATOM 0 HA ALA A 122 -3.001 -1.312 -7.584 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -1.767 0.813 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.413 0.161 -5.674 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -0.686 -0.025 -6.062 1.00 0.00 H new ATOM 624 N ARG A 123 -1.375 -1.227 -9.510 1.00 0.00 N ATOM 625 CA ARG A 123 -0.450 -1.401 -10.663 1.00 0.00 C ATOM 626 C ARG A 123 0.261 -0.075 -10.937 1.00 0.00 C ATOM 627 O ARG A 123 -0.366 0.937 -11.182 1.00 0.00 O ATOM 628 CB ARG A 123 -1.251 -1.814 -11.899 1.00 0.00 C ATOM 629 CG ARG A 123 -0.292 -2.158 -13.039 1.00 0.00 C ATOM 630 CD ARG A 123 -0.948 -3.187 -13.960 1.00 0.00 C ATOM 631 NE ARG A 123 -2.237 -2.641 -14.471 1.00 0.00 N ATOM 632 CZ ARG A 123 -3.139 -3.444 -14.963 1.00 0.00 C ATOM 633 NH1 ARG A 123 -3.428 -4.558 -14.348 1.00 0.00 N ATOM 634 NH2 ARG A 123 -3.755 -3.132 -16.071 1.00 0.00 N ATOM 0 H ARG A 123 -2.294 -0.853 -9.745 1.00 0.00 H new ATOM 0 HA ARG A 123 0.285 -2.172 -10.433 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.880 -2.674 -11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -1.916 -1.005 -12.201 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.040 -1.259 -13.601 1.00 0.00 H new ATOM 0 HG3 ARG A 123 0.640 -2.555 -12.638 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -0.284 -3.422 -14.792 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -1.123 -4.117 -13.419 1.00 0.00 H new ATOM 0 HE ARG A 123 -2.414 -1.637 -14.436 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -2.948 -4.801 -13.481 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -4.134 -5.185 -14.734 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -3.531 -2.261 -16.551 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -4.461 -3.760 -16.456 1.00 0.00 H new ATOM 648 N SER A 124 1.565 -0.070 -10.894 1.00 0.00 N ATOM 649 CA SER A 124 2.313 1.193 -11.150 1.00 0.00 C ATOM 650 C SER A 124 2.115 1.621 -12.606 1.00 0.00 C ATOM 651 O SER A 124 2.304 0.846 -13.521 1.00 0.00 O ATOM 652 CB SER A 124 3.801 0.966 -10.883 1.00 0.00 C ATOM 653 OG SER A 124 4.551 2.008 -11.495 1.00 0.00 O ATOM 0 H SER A 124 2.144 -0.885 -10.693 1.00 0.00 H new ATOM 0 HA SER A 124 1.940 1.975 -10.489 1.00 0.00 H new ATOM 0 HB2 SER A 124 3.991 0.947 -9.810 1.00 0.00 H new ATOM 0 HB3 SER A 124 4.110 -0.001 -11.279 1.00 0.00 H new ATOM 0 HG SER A 124 5.506 1.867 -11.325 1.00 0.00 H new ATOM 659 N LEU A 125 1.739 2.851 -12.826 1.00 0.00 N ATOM 660 CA LEU A 125 1.533 3.328 -14.223 1.00 0.00 C ATOM 661 C LEU A 125 2.882 3.716 -14.833 1.00 0.00 C ATOM 662 O LEU A 125 2.950 4.261 -15.917 1.00 0.00 O ATOM 663 CB LEU A 125 0.606 4.546 -14.215 1.00 0.00 C ATOM 664 CG LEU A 125 -0.791 4.126 -13.753 1.00 0.00 C ATOM 665 CD1 LEU A 125 -1.337 5.160 -12.768 1.00 0.00 C ATOM 666 CD2 LEU A 125 -1.722 4.038 -14.964 1.00 0.00 C ATOM 0 H LEU A 125 1.566 3.546 -12.100 1.00 0.00 H new ATOM 0 HA LEU A 125 1.082 2.533 -14.816 1.00 0.00 H new ATOM 0 HB2 LEU A 125 1.004 5.314 -13.551 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.554 4.982 -15.212 1.00 0.00 H new ATOM 0 HG LEU A 125 -0.734 3.154 -13.264 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.332 4.860 -12.440 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -0.675 5.226 -11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.394 6.133 -13.256 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.718 3.739 -14.637 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -1.778 5.011 -15.452 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -1.335 3.301 -15.668 1.00 0.00 H new ATOM 678 N THR A 126 3.959 3.439 -14.147 1.00 0.00 N ATOM 679 CA THR A 126 5.301 3.792 -14.692 1.00 0.00 C ATOM 680 C THR A 126 5.993 2.525 -15.200 1.00 0.00 C ATOM 681 O THR A 126 6.635 2.528 -16.232 1.00 0.00 O ATOM 682 CB THR A 126 6.149 4.428 -13.587 1.00 0.00 C ATOM 683 OG1 THR A 126 5.428 5.500 -12.996 1.00 0.00 O ATOM 684 CG2 THR A 126 7.455 4.955 -14.183 1.00 0.00 C ATOM 0 H THR A 126 3.967 2.984 -13.234 1.00 0.00 H new ATOM 0 HA THR A 126 5.186 4.499 -15.514 1.00 0.00 H new ATOM 0 HB THR A 126 6.376 3.680 -12.827 1.00 0.00 H new ATOM 0 HG1 THR A 126 5.397 5.377 -12.024 1.00 0.00 H new ATOM 0 HG21 THR A 126 8.058 5.407 -13.396 1.00 0.00 H new ATOM 0 HG22 THR A 126 8.007 4.131 -14.635 1.00 0.00 H new ATOM 0 HG23 THR A 126 7.232 5.703 -14.944 1.00 0.00 H new ATOM 692 N THR A 127 5.870 1.442 -14.482 1.00 0.00 N ATOM 693 CA THR A 127 6.523 0.177 -14.925 1.00 0.00 C ATOM 694 C THR A 127 5.501 -0.704 -15.646 1.00 0.00 C ATOM 695 O THR A 127 5.728 -1.160 -16.749 1.00 0.00 O ATOM 696 CB THR A 127 7.069 -0.568 -13.705 1.00 0.00 C ATOM 697 OG1 THR A 127 6.022 -0.766 -12.765 1.00 0.00 O ATOM 698 CG2 THR A 127 8.186 0.253 -13.061 1.00 0.00 C ATOM 0 H THR A 127 5.346 1.378 -13.609 1.00 0.00 H new ATOM 0 HA THR A 127 7.341 0.411 -15.606 1.00 0.00 H new ATOM 0 HB THR A 127 7.465 -1.534 -14.017 1.00 0.00 H new ATOM 0 HG1 THR A 127 6.370 -1.244 -11.984 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.574 -0.279 -12.192 1.00 0.00 H new ATOM 0 HG22 THR A 127 8.989 0.404 -13.782 1.00 0.00 H new ATOM 0 HG23 THR A 127 7.793 1.220 -12.748 1.00 0.00 H new ATOM 706 N GLY A 128 4.374 -0.949 -15.033 1.00 0.00 N ATOM 707 CA GLY A 128 3.341 -1.802 -15.687 1.00 0.00 C ATOM 708 C GLY A 128 3.123 -3.072 -14.862 1.00 0.00 C ATOM 709 O GLY A 128 2.290 -3.896 -15.183 1.00 0.00 O ATOM 0 H GLY A 128 4.125 -0.596 -14.109 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.405 -1.251 -15.778 1.00 0.00 H new ATOM 0 HA3 GLY A 128 3.657 -2.063 -16.697 1.00 0.00 H new ATOM 713 N GLU A 129 3.866 -3.240 -13.802 1.00 0.00 N ATOM 714 CA GLU A 129 3.700 -4.459 -12.961 1.00 0.00 C ATOM 715 C GLU A 129 2.769 -4.148 -11.787 1.00 0.00 C ATOM 716 O GLU A 129 2.582 -3.006 -11.417 1.00 0.00 O ATOM 717 CB GLU A 129 5.065 -4.897 -12.428 1.00 0.00 C ATOM 718 CG GLU A 129 6.009 -5.159 -13.603 1.00 0.00 C ATOM 719 CD GLU A 129 6.964 -6.301 -13.248 1.00 0.00 C ATOM 720 OE1 GLU A 129 6.912 -6.760 -12.119 1.00 0.00 O ATOM 721 OE2 GLU A 129 7.730 -6.696 -14.111 1.00 0.00 O ATOM 0 H GLU A 129 4.580 -2.586 -13.482 1.00 0.00 H new ATOM 0 HA GLU A 129 3.269 -5.260 -13.562 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.479 -4.125 -11.780 1.00 0.00 H new ATOM 0 HB3 GLU A 129 4.960 -5.798 -11.824 1.00 0.00 H new ATOM 0 HG2 GLU A 129 5.435 -5.415 -14.494 1.00 0.00 H new ATOM 0 HG3 GLU A 129 6.575 -4.257 -13.836 1.00 0.00 H new ATOM 728 N THR A 130 2.184 -5.156 -11.199 1.00 0.00 N ATOM 729 CA THR A 130 1.268 -4.915 -10.050 1.00 0.00 C ATOM 730 C THR A 130 1.932 -5.402 -8.761 1.00 0.00 C ATOM 731 O THR A 130 2.522 -6.464 -8.718 1.00 0.00 O ATOM 732 CB THR A 130 -0.042 -5.677 -10.270 1.00 0.00 C ATOM 733 OG1 THR A 130 -0.265 -5.839 -11.664 1.00 0.00 O ATOM 734 CG2 THR A 130 -1.200 -4.890 -9.655 1.00 0.00 C ATOM 0 H THR A 130 2.301 -6.134 -11.465 1.00 0.00 H new ATOM 0 HA THR A 130 1.057 -3.849 -9.971 1.00 0.00 H new ATOM 0 HB THR A 130 0.022 -6.656 -9.796 1.00 0.00 H new ATOM 0 HG1 THR A 130 -1.102 -6.328 -11.807 1.00 0.00 H new ATOM 0 HG21 THR A 130 -2.132 -5.432 -9.812 1.00 0.00 H new ATOM 0 HG22 THR A 130 -1.028 -4.765 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 130 -1.266 -3.910 -10.128 1.00 0.00 H new ATOM 742 N GLY A 131 1.843 -4.634 -7.709 1.00 0.00 N ATOM 743 CA GLY A 131 2.473 -5.057 -6.427 1.00 0.00 C ATOM 744 C GLY A 131 1.581 -4.648 -5.254 1.00 0.00 C ATOM 745 O GLY A 131 0.440 -4.266 -5.429 1.00 0.00 O ATOM 0 H GLY A 131 1.363 -3.735 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 131 2.623 -6.137 -6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 131 3.457 -4.598 -6.325 1.00 0.00 H new ATOM 749 N TYR A 132 2.092 -4.729 -4.056 1.00 0.00 N ATOM 750 CA TYR A 132 1.275 -4.351 -2.869 1.00 0.00 C ATOM 751 C TYR A 132 1.864 -3.101 -2.213 1.00 0.00 C ATOM 752 O TYR A 132 3.013 -3.075 -1.819 1.00 0.00 O ATOM 753 CB TYR A 132 1.280 -5.503 -1.863 1.00 0.00 C ATOM 754 CG TYR A 132 0.697 -6.735 -2.509 1.00 0.00 C ATOM 755 CD1 TYR A 132 -0.588 -6.692 -3.062 1.00 0.00 C ATOM 756 CD2 TYR A 132 1.441 -7.919 -2.556 1.00 0.00 C ATOM 757 CE1 TYR A 132 -1.130 -7.835 -3.662 1.00 0.00 C ATOM 758 CE2 TYR A 132 0.900 -9.062 -3.157 1.00 0.00 C ATOM 759 CZ TYR A 132 -0.386 -9.021 -3.709 1.00 0.00 C ATOM 760 OH TYR A 132 -0.919 -10.147 -4.302 1.00 0.00 O ATOM 0 H TYR A 132 3.041 -5.041 -3.848 1.00 0.00 H new ATOM 0 HA TYR A 132 0.253 -4.144 -3.185 1.00 0.00 H new ATOM 0 HB2 TYR A 132 2.297 -5.702 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 132 0.700 -5.232 -0.981 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -1.161 -5.777 -3.026 1.00 0.00 H new ATOM 0 HD2 TYR A 132 2.432 -7.951 -2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -2.122 -7.802 -4.089 1.00 0.00 H new ATOM 0 HE2 TYR A 132 1.475 -9.976 -3.195 1.00 0.00 H new ATOM 0 HH TYR A 132 -0.272 -10.881 -4.250 1.00 0.00 H new ATOM 770 N ILE A 133 1.080 -2.067 -2.086 1.00 0.00 N ATOM 771 CA ILE A 133 1.585 -0.819 -1.450 1.00 0.00 C ATOM 772 C ILE A 133 0.704 -0.477 -0.245 1.00 0.00 C ATOM 773 O ILE A 133 -0.430 -0.905 -0.171 1.00 0.00 O ATOM 774 CB ILE A 133 1.532 0.327 -2.463 1.00 0.00 C ATOM 775 CG1 ILE A 133 0.095 0.497 -2.961 1.00 0.00 C ATOM 776 CG2 ILE A 133 2.445 0.008 -3.647 1.00 0.00 C ATOM 777 CD1 ILE A 133 -0.372 1.929 -2.698 1.00 0.00 C ATOM 0 H ILE A 133 0.109 -2.033 -2.396 1.00 0.00 H new ATOM 0 HA ILE A 133 2.614 -0.964 -1.122 1.00 0.00 H new ATOM 0 HB ILE A 133 1.866 1.248 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 133 0.040 0.276 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 133 -0.562 -0.210 -2.454 1.00 0.00 H new ATOM 0 HG21 ILE A 133 2.406 0.825 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 133 3.469 -0.116 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 133 2.112 -0.913 -4.125 1.00 0.00 H new ATOM 0 HD11 ILE A 133 -1.396 2.049 -3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 133 -0.333 2.134 -1.628 1.00 0.00 H new ATOM 0 HD13 ILE A 133 0.279 2.627 -3.225 1.00 0.00 H new ATOM 789 N PRO A 134 1.254 0.286 0.663 1.00 0.00 N ATOM 790 CA PRO A 134 0.529 0.700 1.876 1.00 0.00 C ATOM 791 C PRO A 134 -0.725 1.486 1.491 1.00 0.00 C ATOM 792 O PRO A 134 -0.656 2.486 0.804 1.00 0.00 O ATOM 793 CB PRO A 134 1.519 1.589 2.642 1.00 0.00 C ATOM 794 CG PRO A 134 2.830 1.654 1.816 1.00 0.00 C ATOM 795 CD PRO A 134 2.632 0.796 0.556 1.00 0.00 C ATOM 0 HA PRO A 134 0.198 -0.147 2.477 1.00 0.00 H new ATOM 0 HB2 PRO A 134 1.106 2.588 2.783 1.00 0.00 H new ATOM 0 HB3 PRO A 134 1.712 1.180 3.634 1.00 0.00 H new ATOM 0 HG2 PRO A 134 3.060 2.684 1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 134 3.670 1.283 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 134 2.766 1.387 -0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 134 3.354 -0.020 0.515 1.00 0.00 H new ATOM 803 N SER A 135 -1.873 1.040 1.925 1.00 0.00 N ATOM 804 CA SER A 135 -3.130 1.760 1.579 1.00 0.00 C ATOM 805 C SER A 135 -3.126 3.140 2.238 1.00 0.00 C ATOM 806 O SER A 135 -3.696 4.084 1.726 1.00 0.00 O ATOM 807 CB SER A 135 -4.331 0.959 2.079 1.00 0.00 C ATOM 808 OG SER A 135 -4.399 1.048 3.496 1.00 0.00 O ATOM 0 H SER A 135 -1.994 0.209 2.504 1.00 0.00 H new ATOM 0 HA SER A 135 -3.196 1.875 0.497 1.00 0.00 H new ATOM 0 HB2 SER A 135 -5.249 1.343 1.635 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.240 -0.083 1.773 1.00 0.00 H new ATOM 0 HG SER A 135 -5.170 0.536 3.819 1.00 0.00 H new ATOM 814 N ASN A 136 -2.488 3.268 3.370 1.00 0.00 N ATOM 815 CA ASN A 136 -2.448 4.590 4.057 1.00 0.00 C ATOM 816 C ASN A 136 -1.481 5.518 3.318 1.00 0.00 C ATOM 817 O ASN A 136 -1.430 6.704 3.570 1.00 0.00 O ATOM 818 CB ASN A 136 -1.973 4.401 5.500 1.00 0.00 C ATOM 819 CG ASN A 136 -2.816 5.271 6.434 1.00 0.00 C ATOM 820 OD1 ASN A 136 -2.982 6.451 6.200 1.00 0.00 O ATOM 821 ND2 ASN A 136 -3.359 4.733 7.492 1.00 0.00 N ATOM 0 H ASN A 136 -1.993 2.515 3.848 1.00 0.00 H new ATOM 0 HA ASN A 136 -3.445 5.030 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -2.058 3.353 5.787 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -0.920 4.671 5.586 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -3.923 5.304 8.122 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -3.220 3.742 7.689 1.00 0.00 H new ATOM 828 N TYR A 137 -0.710 4.984 2.410 1.00 0.00 N ATOM 829 CA TYR A 137 0.256 5.832 1.657 1.00 0.00 C ATOM 830 C TYR A 137 -0.377 6.289 0.341 1.00 0.00 C ATOM 831 O TYR A 137 0.266 6.907 -0.484 1.00 0.00 O ATOM 832 CB TYR A 137 1.519 5.021 1.358 1.00 0.00 C ATOM 833 CG TYR A 137 2.623 5.440 2.298 1.00 0.00 C ATOM 834 CD1 TYR A 137 2.323 5.784 3.621 1.00 0.00 C ATOM 835 CD2 TYR A 137 3.949 5.480 1.848 1.00 0.00 C ATOM 836 CE1 TYR A 137 3.346 6.170 4.494 1.00 0.00 C ATOM 837 CE2 TYR A 137 4.973 5.867 2.722 1.00 0.00 C ATOM 838 CZ TYR A 137 4.671 6.213 4.044 1.00 0.00 C ATOM 839 OH TYR A 137 5.680 6.592 4.905 1.00 0.00 O ATOM 0 H TYR A 137 -0.708 3.996 2.157 1.00 0.00 H new ATOM 0 HA TYR A 137 0.514 6.705 2.257 1.00 0.00 H new ATOM 0 HB2 TYR A 137 1.315 3.956 1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 137 1.828 5.178 0.325 1.00 0.00 H new ATOM 0 HD1 TYR A 137 1.301 5.751 3.968 1.00 0.00 H new ATOM 0 HD2 TYR A 137 4.182 5.213 0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 137 3.114 6.435 5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 137 5.995 5.898 2.376 1.00 0.00 H new ATOM 0 HH TYR A 137 6.539 6.567 4.434 1.00 0.00 H new ATOM 849 N VAL A 138 -1.632 5.992 0.135 1.00 0.00 N ATOM 850 CA VAL A 138 -2.293 6.415 -1.131 1.00 0.00 C ATOM 851 C VAL A 138 -3.669 7.006 -0.821 1.00 0.00 C ATOM 852 O VAL A 138 -4.313 6.636 0.140 1.00 0.00 O ATOM 853 CB VAL A 138 -2.455 5.207 -2.056 1.00 0.00 C ATOM 854 CG1 VAL A 138 -1.077 4.694 -2.473 1.00 0.00 C ATOM 855 CG2 VAL A 138 -3.212 4.098 -1.320 1.00 0.00 C ATOM 0 H VAL A 138 -2.225 5.477 0.786 1.00 0.00 H new ATOM 0 HA VAL A 138 -1.677 7.168 -1.622 1.00 0.00 H new ATOM 0 HB VAL A 138 -3.015 5.502 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -1.193 3.833 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.539 5.483 -2.998 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -0.515 4.399 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.328 3.237 -1.979 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.653 3.803 -0.432 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -4.196 4.463 -1.024 1.00 0.00 H new ATOM 865 N ALA A 139 -4.121 7.923 -1.630 1.00 0.00 N ATOM 866 CA ALA A 139 -5.455 8.540 -1.389 1.00 0.00 C ATOM 867 C ALA A 139 -6.150 8.785 -2.732 1.00 0.00 C ATOM 868 O ALA A 139 -5.505 8.834 -3.760 1.00 0.00 O ATOM 869 CB ALA A 139 -5.275 9.872 -0.657 1.00 0.00 C ATOM 0 H ALA A 139 -3.623 8.272 -2.449 1.00 0.00 H new ATOM 0 HA ALA A 139 -6.063 7.871 -0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -6.251 10.325 -0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -4.777 9.699 0.297 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -4.669 10.543 -1.266 1.00 0.00 H new ATOM 875 N PRO A 140 -7.450 8.929 -2.682 1.00 0.00 N ATOM 876 CA PRO A 140 -8.258 9.169 -3.892 1.00 0.00 C ATOM 877 C PRO A 140 -7.826 10.472 -4.571 1.00 0.00 C ATOM 878 O PRO A 140 -7.581 11.470 -3.923 1.00 0.00 O ATOM 879 CB PRO A 140 -9.703 9.276 -3.383 1.00 0.00 C ATOM 880 CG PRO A 140 -9.676 9.089 -1.843 1.00 0.00 C ATOM 881 CD PRO A 140 -8.215 8.866 -1.424 1.00 0.00 C ATOM 0 HA PRO A 140 -8.142 8.377 -4.632 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.129 10.245 -3.643 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.330 8.516 -3.850 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -10.087 9.967 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -10.292 8.238 -1.550 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -7.884 9.630 -0.721 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -8.087 7.902 -0.931 1.00 0.00 H new ATOM 889 N VAL A 141 -7.730 10.469 -5.873 1.00 0.00 N ATOM 890 CA VAL A 141 -7.315 11.704 -6.596 1.00 0.00 C ATOM 891 C VAL A 141 -8.471 12.705 -6.605 1.00 0.00 C ATOM 892 O VAL A 141 -9.577 12.306 -6.279 1.00 0.00 O ATOM 893 CB VAL A 141 -6.940 11.347 -8.035 1.00 0.00 C ATOM 894 CG1 VAL A 141 -8.147 10.723 -8.736 1.00 0.00 C ATOM 895 CG2 VAL A 141 -6.519 12.616 -8.781 1.00 0.00 C ATOM 896 OXT VAL A 141 -8.232 13.854 -6.939 1.00 0.00 O ATOM 0 H VAL A 141 -7.922 9.663 -6.468 1.00 0.00 H new ATOM 0 HA VAL A 141 -6.456 12.148 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 141 -6.114 10.636 -8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 141 -7.880 10.468 -9.762 1.00 0.00 H new ATOM 0 HG12 VAL A 141 -8.450 9.821 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 141 -8.973 11.435 -8.742 1.00 0.00 H new ATOM 0 HG21 VAL A 141 -6.251 12.363 -9.807 1.00 0.00 H new ATOM 0 HG22 VAL A 141 -7.346 13.326 -8.786 1.00 0.00 H new ATOM 0 HG23 VAL A 141 -5.660 13.063 -8.282 1.00 0.00 H new TER 906 VAL A 141