USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 834 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 101 THR OG1 : rot 180:sc= 0.767 USER MOD Set 1.2: A 114 THR OG1 : rot 125:sc= 0.865 USER MOD Set 2.1: A 63 CYS SG : rot 180:sc= 1.1 USER MOD Set 2.2: A 90 CYS SG : rot -62:sc= 1.35 USER MOD Set 3.1: A 43 TYR OH : rot 22:sc= 0.604 USER MOD Set 3.2: A 46 THR OG1 : rot 180:sc= 0.551 USER MOD Set 4.1: A 32 THR OG1 : rot 180:sc= 0.535 USER MOD Set 4.2: A 50 THR OG1 : rot -78:sc= 0.595 USER MOD Single : A 33 TYR OH : rot 168:sc= 0.0252 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.585 K(o=0.59,f=-2.6) USER MOD Single : A 41 ASN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 44 MET CE :methyl -151:sc= -0.601 (180deg=-1.92!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot -126:sc= 1.32 USER MOD Single : A 56 SER OG : rot 63:sc= 1.17 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 65 THR OG1 : rot 174:sc= 1.17 USER MOD Single : A 68 GLN : amide:sc= -0.946 X(o=-0.95,f=-0.53) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -156:sc= -0.301 (180deg=-0.8) USER MOD Single : A 75 ASN : amide:sc= -3.05! C(o=-3.1!,f=-2.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 155:sc= -2.39 (180deg=-6.83!) USER MOD Single : A 83 ASN : amide:sc= -0.901 K(o=-0.9,f=-1.4) USER MOD Single : A 94 THR OG1 : rot -39:sc= 0.0852 USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN : amide:sc= 0.167 X(o=0.17,f=0) USER MOD Single : A 103 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.049) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN : amide:sc= -0.501 K(o=-0.5,f=-1.8) USER MOD Single : A 117 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.0052) USER MOD Single : A 120 MET CE :methyl 168:sc= 0 (180deg=-0.248) USER MOD Single : A 121 SER OG : rot 160:sc= 0 USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 27 -2.104 -17.014 8.054 1.00 0.00 N ATOM 26 CA GLU A 27 -1.294 -15.869 8.463 1.00 0.00 C ATOM 27 C GLU A 27 0.167 -16.295 8.431 1.00 0.00 C ATOM 28 O GLU A 27 0.536 -17.242 9.128 1.00 0.00 O ATOM 29 CB GLU A 27 -1.696 -15.395 9.873 1.00 0.00 C ATOM 30 CG GLU A 27 -0.737 -14.335 10.458 1.00 0.00 C ATOM 31 CD GLU A 27 -0.714 -14.236 11.984 1.00 0.00 C ATOM 32 OE1 GLU A 27 -1.451 -14.961 12.693 1.00 0.00 O ATOM 33 OE2 GLU A 27 0.141 -13.470 12.493 1.00 0.00 O ATOM 0 HA GLU A 27 -1.454 -15.032 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.704 -14.982 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.728 -16.255 10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.273 -14.553 10.111 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.010 -13.361 10.053 1.00 0.00 H new ATOM 41 N LEU A 28 1.000 -15.615 7.633 1.00 0.00 N ATOM 42 CA LEU A 28 2.421 -15.910 7.567 1.00 0.00 C ATOM 43 C LEU A 28 3.331 -14.728 7.171 1.00 0.00 C ATOM 44 O LEU A 28 4.074 -14.827 6.194 1.00 0.00 O ATOM 45 CB LEU A 28 2.645 -17.199 6.761 1.00 0.00 C ATOM 46 CG LEU A 28 1.970 -17.414 5.394 1.00 0.00 C ATOM 47 CD1 LEU A 28 0.472 -17.721 5.490 1.00 0.00 C ATOM 48 CD2 LEU A 28 2.138 -16.231 4.456 1.00 0.00 C ATOM 0 H LEU A 28 0.703 -14.853 7.023 1.00 0.00 H new ATOM 0 HA LEU A 28 2.758 -16.090 8.588 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.719 -17.293 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.343 -18.030 7.399 1.00 0.00 H new ATOM 0 HG LEU A 28 2.489 -18.283 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.064 -17.860 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.324 -18.631 6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.039 -16.891 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.641 -16.443 3.510 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.695 -15.343 4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.199 -16.056 4.277 1.00 0.00 H new ATOM 60 N PRO A 29 3.336 -13.616 7.927 1.00 0.00 N ATOM 61 CA PRO A 29 4.251 -12.506 7.694 1.00 0.00 C ATOM 62 C PRO A 29 5.687 -12.926 8.039 1.00 0.00 C ATOM 63 O PRO A 29 5.953 -13.233 9.201 1.00 0.00 O ATOM 64 CB PRO A 29 3.795 -11.364 8.600 1.00 0.00 C ATOM 65 CG PRO A 29 3.039 -12.069 9.731 1.00 0.00 C ATOM 66 CD PRO A 29 2.563 -13.394 9.136 1.00 0.00 C ATOM 0 HA PRO A 29 4.242 -12.198 6.648 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.642 -10.794 8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.153 -10.663 8.067 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.686 -12.235 10.592 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.197 -11.468 10.075 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.710 -14.210 9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.497 -13.355 8.911 1.00 0.00 H new ATOM 74 N PRO A 30 6.622 -12.907 7.079 1.00 0.00 N ATOM 75 CA PRO A 30 8.048 -13.044 7.302 1.00 0.00 C ATOM 76 C PRO A 30 8.712 -11.663 7.519 1.00 0.00 C ATOM 77 O PRO A 30 9.924 -11.526 7.340 1.00 0.00 O ATOM 78 CB PRO A 30 8.513 -13.726 6.017 1.00 0.00 C ATOM 79 CG PRO A 30 7.729 -12.964 4.951 1.00 0.00 C ATOM 80 CD PRO A 30 6.421 -12.634 5.669 1.00 0.00 C ATOM 0 HA PRO A 30 8.310 -13.609 8.196 1.00 0.00 H new ATOM 0 HB2 PRO A 30 9.590 -13.636 5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.279 -14.791 6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 30 8.253 -12.064 4.629 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.561 -13.570 4.061 1.00 0.00 H new ATOM 0 HD2 PRO A 30 6.151 -11.589 5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 30 5.603 -13.236 5.274 1.00 0.00 H new ATOM 88 N GLY A 31 7.934 -10.603 7.788 1.00 0.00 N ATOM 89 CA GLY A 31 8.434 -9.249 7.942 1.00 0.00 C ATOM 90 C GLY A 31 8.258 -8.501 6.638 1.00 0.00 C ATOM 91 O GLY A 31 7.274 -7.787 6.449 1.00 0.00 O ATOM 0 H GLY A 31 6.923 -10.676 7.905 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.897 -8.739 8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.486 -9.267 8.225 1.00 0.00 H new ATOM 95 N THR A 32 9.191 -8.719 5.720 1.00 0.00 N ATOM 96 CA THR A 32 9.320 -7.997 4.467 1.00 0.00 C ATOM 97 C THR A 32 9.389 -9.025 3.347 1.00 0.00 C ATOM 98 O THR A 32 9.821 -10.166 3.554 1.00 0.00 O ATOM 99 CB THR A 32 10.548 -7.062 4.537 1.00 0.00 C ATOM 100 OG1 THR A 32 10.438 -6.208 5.666 1.00 0.00 O ATOM 101 CG2 THR A 32 10.796 -6.172 3.317 1.00 0.00 C ATOM 0 H THR A 32 9.908 -9.435 5.836 1.00 0.00 H new ATOM 0 HA THR A 32 8.465 -7.351 4.271 1.00 0.00 H new ATOM 0 HB THR A 32 11.392 -7.749 4.593 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.219 -5.618 5.707 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.684 -5.563 3.486 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.946 -6.796 2.436 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.935 -5.522 3.159 1.00 0.00 H new ATOM 109 N TYR A 33 8.903 -8.636 2.173 1.00 0.00 N ATOM 110 CA TYR A 33 8.971 -9.394 0.945 1.00 0.00 C ATOM 111 C TYR A 33 9.080 -8.386 -0.196 1.00 0.00 C ATOM 112 O TYR A 33 8.581 -7.262 -0.085 1.00 0.00 O ATOM 113 CB TYR A 33 7.761 -10.341 0.843 1.00 0.00 C ATOM 114 CG TYR A 33 6.441 -9.817 0.285 1.00 0.00 C ATOM 115 CD1 TYR A 33 5.791 -8.686 0.825 1.00 0.00 C ATOM 116 CD2 TYR A 33 5.806 -10.534 -0.744 1.00 0.00 C ATOM 117 CE1 TYR A 33 4.515 -8.298 0.371 1.00 0.00 C ATOM 118 CE2 TYR A 33 4.573 -10.105 -1.260 1.00 0.00 C ATOM 119 CZ TYR A 33 3.917 -8.992 -0.700 1.00 0.00 C ATOM 120 OH TYR A 33 2.710 -8.594 -1.186 1.00 0.00 O ATOM 0 H TYR A 33 8.430 -7.740 2.054 1.00 0.00 H new ATOM 0 HA TYR A 33 9.843 -10.047 0.904 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.061 -11.190 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 33 7.563 -10.726 1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.279 -8.110 1.597 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.271 -11.424 -1.142 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.998 -7.474 0.841 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.125 -10.631 -2.090 1.00 0.00 H new ATOM 0 HH TYR A 33 2.533 -9.049 -2.036 1.00 0.00 H new ATOM 130 N ARG A 34 9.769 -8.735 -1.279 1.00 0.00 N ATOM 131 CA ARG A 34 10.073 -7.801 -2.357 1.00 0.00 C ATOM 132 C ARG A 34 9.502 -8.367 -3.630 1.00 0.00 C ATOM 133 O ARG A 34 9.767 -9.519 -3.973 1.00 0.00 O ATOM 134 CB ARG A 34 11.581 -7.575 -2.411 1.00 0.00 C ATOM 135 CG ARG A 34 11.984 -6.337 -3.206 1.00 0.00 C ATOM 136 CD ARG A 34 11.906 -6.466 -4.723 1.00 0.00 C ATOM 137 NE ARG A 34 12.828 -5.484 -5.301 1.00 0.00 N ATOM 138 CZ ARG A 34 13.681 -5.744 -6.284 1.00 0.00 C ATOM 139 NH1 ARG A 34 13.406 -6.695 -7.168 1.00 0.00 N ATOM 140 NH2 ARG A 34 14.800 -5.028 -6.345 1.00 0.00 N ATOM 0 H ARG A 34 10.133 -9.675 -1.433 1.00 0.00 H new ATOM 0 HA ARG A 34 9.621 -6.822 -2.197 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.963 -7.484 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.056 -8.451 -2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.347 -5.508 -2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 34 13.006 -6.072 -2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.176 -7.475 -5.036 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.889 -6.286 -5.070 1.00 0.00 H new ATOM 0 HE ARG A 34 12.813 -4.537 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.539 -7.226 -7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.062 -6.894 -7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.981 -4.305 -5.649 1.00 0.00 H new ATOM 0 HH22 ARG A 34 15.477 -5.202 -7.088 1.00 0.00 H new ATOM 154 N VAL A 35 8.664 -7.574 -4.275 1.00 0.00 N ATOM 155 CA VAL A 35 7.638 -8.040 -5.186 1.00 0.00 C ATOM 156 C VAL A 35 7.266 -6.883 -6.129 1.00 0.00 C ATOM 157 O VAL A 35 7.753 -5.763 -5.935 1.00 0.00 O ATOM 158 CB VAL A 35 6.425 -8.487 -4.352 1.00 0.00 C ATOM 159 CG1 VAL A 35 6.642 -9.906 -3.823 1.00 0.00 C ATOM 160 CG2 VAL A 35 6.102 -7.556 -3.152 1.00 0.00 C ATOM 0 H VAL A 35 8.681 -6.559 -4.175 1.00 0.00 H new ATOM 0 HA VAL A 35 7.984 -8.882 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 35 5.574 -8.443 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.777 -10.211 -3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.771 -10.591 -4.661 1.00 0.00 H new ATOM 0 HG13 VAL A 35 7.533 -9.928 -3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.234 -7.941 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.958 -7.520 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.886 -6.552 -3.518 1.00 0.00 H new ATOM 170 N ASP A 36 6.416 -7.120 -7.134 1.00 0.00 N ATOM 171 CA ASP A 36 5.825 -6.120 -8.020 1.00 0.00 C ATOM 172 C ASP A 36 4.494 -5.642 -7.450 1.00 0.00 C ATOM 173 O ASP A 36 3.497 -6.369 -7.416 1.00 0.00 O ATOM 174 CB ASP A 36 5.603 -6.644 -9.442 1.00 0.00 C ATOM 175 CG ASP A 36 4.792 -7.929 -9.602 1.00 0.00 C ATOM 176 OD1 ASP A 36 4.046 -8.007 -10.603 1.00 0.00 O ATOM 177 OD2 ASP A 36 4.991 -8.851 -8.787 1.00 0.00 O ATOM 0 H ASP A 36 6.108 -8.066 -7.360 1.00 0.00 H new ATOM 0 HA ASP A 36 6.535 -5.295 -8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.108 -5.860 -10.016 1.00 0.00 H new ATOM 0 HB3 ASP A 36 6.580 -6.804 -9.898 1.00 0.00 H new ATOM 183 N ILE A 37 4.488 -4.459 -6.848 1.00 0.00 N ATOM 184 CA ILE A 37 3.308 -3.847 -6.265 1.00 0.00 C ATOM 185 C ILE A 37 2.399 -3.472 -7.424 1.00 0.00 C ATOM 186 O ILE A 37 2.818 -2.820 -8.388 1.00 0.00 O ATOM 187 CB ILE A 37 3.672 -2.620 -5.393 1.00 0.00 C ATOM 188 CG1 ILE A 37 4.589 -2.990 -4.203 1.00 0.00 C ATOM 189 CG2 ILE A 37 2.391 -1.968 -4.844 1.00 0.00 C ATOM 190 CD1 ILE A 37 6.083 -2.865 -4.515 1.00 0.00 C ATOM 0 H ILE A 37 5.327 -3.887 -6.751 1.00 0.00 H new ATOM 0 HA ILE A 37 2.803 -4.539 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 37 4.214 -1.926 -6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.349 -2.347 -3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.375 -4.014 -3.896 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.655 -1.106 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.763 -1.645 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.846 -2.691 -4.237 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.663 -3.140 -3.634 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.339 -3.529 -5.340 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.312 -1.836 -4.793 1.00 0.00 H new ATOM 202 N TYR A 38 1.146 -3.864 -7.269 1.00 0.00 N ATOM 203 CA TYR A 38 0.072 -3.679 -8.229 1.00 0.00 C ATOM 204 C TYR A 38 -1.089 -2.954 -7.550 1.00 0.00 C ATOM 205 O TYR A 38 -1.261 -3.027 -6.332 1.00 0.00 O ATOM 206 CB TYR A 38 -0.355 -5.057 -8.769 1.00 0.00 C ATOM 207 CG TYR A 38 0.132 -5.327 -10.179 1.00 0.00 C ATOM 208 CD1 TYR A 38 1.443 -5.777 -10.423 1.00 0.00 C ATOM 209 CD2 TYR A 38 -0.740 -5.112 -11.259 1.00 0.00 C ATOM 210 CE1 TYR A 38 1.877 -5.996 -11.744 1.00 0.00 C ATOM 211 CE2 TYR A 38 -0.315 -5.341 -12.576 1.00 0.00 C ATOM 212 CZ TYR A 38 0.992 -5.795 -12.826 1.00 0.00 C ATOM 213 OH TYR A 38 1.382 -6.051 -14.103 1.00 0.00 O ATOM 0 H TYR A 38 0.834 -4.345 -6.425 1.00 0.00 H new ATOM 0 HA TYR A 38 0.403 -3.069 -9.070 1.00 0.00 H new ATOM 0 HB2 TYR A 38 0.026 -5.833 -8.106 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.443 -5.126 -8.748 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.116 -5.954 -9.597 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.747 -4.767 -11.074 1.00 0.00 H new ATOM 0 HE1 TYR A 38 2.891 -6.319 -11.931 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -0.993 -5.168 -13.399 1.00 0.00 H new ATOM 0 HH TYR A 38 0.643 -5.857 -14.716 1.00 0.00 H new ATOM 223 N LEU A 39 -1.910 -2.266 -8.333 1.00 0.00 N ATOM 224 CA LEU A 39 -3.139 -1.630 -7.882 1.00 0.00 C ATOM 225 C LEU A 39 -4.158 -1.718 -9.010 1.00 0.00 C ATOM 226 O LEU A 39 -3.870 -1.234 -10.098 1.00 0.00 O ATOM 227 CB LEU A 39 -2.841 -0.171 -7.533 1.00 0.00 C ATOM 228 CG LEU A 39 -4.104 0.608 -7.112 1.00 0.00 C ATOM 229 CD1 LEU A 39 -4.070 0.985 -5.633 1.00 0.00 C ATOM 230 CD2 LEU A 39 -4.277 1.871 -7.950 1.00 0.00 C ATOM 0 H LEU A 39 -1.733 -2.132 -9.329 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.538 -2.125 -6.996 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.111 -0.137 -6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.386 0.319 -8.394 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.952 -0.056 -7.283 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.977 1.532 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.009 0.080 -5.028 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.200 1.612 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.175 2.399 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.409 2.517 -7.817 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.370 1.600 -9.002 1.00 0.00 H new ATOM 242 N ASN A 40 -5.344 -2.284 -8.756 1.00 0.00 N ATOM 243 CA ASN A 40 -6.442 -2.378 -9.731 1.00 0.00 C ATOM 244 C ASN A 40 -5.964 -2.942 -11.069 1.00 0.00 C ATOM 245 O ASN A 40 -6.259 -2.389 -12.129 1.00 0.00 O ATOM 246 CB ASN A 40 -7.132 -1.011 -9.927 1.00 0.00 C ATOM 247 CG ASN A 40 -8.099 -0.607 -8.839 1.00 0.00 C ATOM 248 OD1 ASN A 40 -8.406 -1.345 -7.912 1.00 0.00 O ATOM 249 ND2 ASN A 40 -8.667 0.572 -8.974 1.00 0.00 N ATOM 0 H ASN A 40 -5.573 -2.697 -7.852 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.176 -3.074 -9.324 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -6.362 -0.244 -10.008 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.667 -1.027 -10.877 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.371 0.879 -8.302 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.404 1.179 -9.750 1.00 0.00 H new ATOM 256 N ASN A 41 -5.218 -4.049 -11.033 1.00 0.00 N ATOM 257 CA ASN A 41 -4.647 -4.696 -12.219 1.00 0.00 C ATOM 258 C ASN A 41 -3.653 -3.796 -12.990 1.00 0.00 C ATOM 259 O ASN A 41 -3.136 -4.228 -14.019 1.00 0.00 O ATOM 260 CB ASN A 41 -5.762 -5.266 -13.137 1.00 0.00 C ATOM 261 CG ASN A 41 -6.268 -6.672 -12.829 1.00 0.00 C ATOM 262 OD1 ASN A 41 -6.930 -7.283 -13.661 1.00 0.00 O ATOM 263 ND2 ASN A 41 -6.082 -7.218 -11.641 1.00 0.00 N ATOM 0 H ASN A 41 -4.989 -4.530 -10.163 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.052 -5.535 -11.859 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -6.612 -4.585 -13.098 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.393 -5.257 -14.162 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.486 -8.131 -11.430 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.535 -6.727 -10.934 1.00 0.00 H new ATOM 270 N GLY A 42 -3.311 -2.599 -12.502 1.00 0.00 N ATOM 271 CA GLY A 42 -2.255 -1.754 -13.035 1.00 0.00 C ATOM 272 C GLY A 42 -0.985 -1.977 -12.224 1.00 0.00 C ATOM 273 O GLY A 42 -1.036 -2.036 -10.992 1.00 0.00 O ATOM 0 H GLY A 42 -3.782 -2.184 -11.698 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.078 -1.990 -14.084 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.552 -0.706 -12.989 1.00 0.00 H new ATOM 277 N TYR A 43 0.158 -2.118 -12.892 1.00 0.00 N ATOM 278 CA TYR A 43 1.449 -2.182 -12.214 1.00 0.00 C ATOM 279 C TYR A 43 1.730 -0.828 -11.567 1.00 0.00 C ATOM 280 O TYR A 43 1.300 0.199 -12.091 1.00 0.00 O ATOM 281 CB TYR A 43 2.538 -2.542 -13.235 1.00 0.00 C ATOM 282 CG TYR A 43 3.958 -2.337 -12.749 1.00 0.00 C ATOM 283 CD1 TYR A 43 4.463 -3.098 -11.678 1.00 0.00 C ATOM 284 CD2 TYR A 43 4.759 -1.343 -13.340 1.00 0.00 C ATOM 285 CE1 TYR A 43 5.755 -2.848 -11.185 1.00 0.00 C ATOM 286 CE2 TYR A 43 6.047 -1.083 -12.846 1.00 0.00 C ATOM 287 CZ TYR A 43 6.545 -1.818 -11.749 1.00 0.00 C ATOM 288 OH TYR A 43 7.760 -1.501 -11.217 1.00 0.00 O ATOM 0 H TYR A 43 0.215 -2.190 -13.908 1.00 0.00 H new ATOM 0 HA TYR A 43 1.439 -2.948 -11.438 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.415 -3.586 -13.523 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.386 -1.943 -14.133 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.857 -3.875 -11.235 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.381 -0.777 -14.178 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.146 -3.444 -10.373 1.00 0.00 H new ATOM 0 HE2 TYR A 43 6.657 -0.320 -13.306 1.00 0.00 H new ATOM 0 HH TYR A 43 8.103 -2.264 -10.707 1.00 0.00 H new ATOM 298 N MET A 44 2.480 -0.808 -10.459 1.00 0.00 N ATOM 299 CA MET A 44 2.883 0.424 -9.792 1.00 0.00 C ATOM 300 C MET A 44 4.390 0.501 -9.644 1.00 0.00 C ATOM 301 O MET A 44 5.038 1.374 -10.228 1.00 0.00 O ATOM 302 CB MET A 44 2.162 0.601 -8.440 1.00 0.00 C ATOM 303 CG MET A 44 0.679 0.885 -8.660 1.00 0.00 C ATOM 304 SD MET A 44 0.405 2.356 -9.677 1.00 0.00 S ATOM 305 CE MET A 44 -1.246 1.940 -10.223 1.00 0.00 C ATOM 0 H MET A 44 2.823 -1.653 -10.002 1.00 0.00 H new ATOM 0 HA MET A 44 2.577 1.257 -10.425 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.281 -0.299 -7.837 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.617 1.420 -7.883 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.213 0.023 -9.138 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.190 1.017 -7.695 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.427 2.380 -11.204 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.346 0.856 -10.287 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.974 2.330 -9.511 1.00 0.00 H new ATOM 315 N ALA A 45 4.943 -0.355 -8.797 1.00 0.00 N ATOM 316 CA ALA A 45 6.354 -0.294 -8.394 1.00 0.00 C ATOM 317 C ALA A 45 6.898 -1.685 -8.081 1.00 0.00 C ATOM 318 O ALA A 45 6.118 -2.618 -7.959 1.00 0.00 O ATOM 319 CB ALA A 45 6.489 0.612 -7.165 1.00 0.00 C ATOM 0 H ALA A 45 4.427 -1.120 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 45 6.936 0.114 -9.220 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.535 0.661 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.136 1.613 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.893 0.207 -6.347 1.00 0.00 H new ATOM 325 N THR A 46 8.209 -1.838 -7.881 1.00 0.00 N ATOM 326 CA THR A 46 8.809 -3.107 -7.466 1.00 0.00 C ATOM 327 C THR A 46 9.774 -2.823 -6.306 1.00 0.00 C ATOM 328 O THR A 46 10.955 -2.565 -6.540 1.00 0.00 O ATOM 329 CB THR A 46 9.472 -3.797 -8.678 1.00 0.00 C ATOM 330 OG1 THR A 46 8.563 -3.928 -9.757 1.00 0.00 O ATOM 331 CG2 THR A 46 9.998 -5.199 -8.348 1.00 0.00 C ATOM 0 H THR A 46 8.885 -1.084 -8.003 1.00 0.00 H new ATOM 0 HA THR A 46 8.058 -3.809 -7.103 1.00 0.00 H new ATOM 0 HB THR A 46 10.308 -3.154 -8.952 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.011 -4.367 -10.510 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.453 -5.635 -9.237 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.743 -5.131 -7.555 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.172 -5.829 -8.017 1.00 0.00 H new ATOM 339 N ARG A 47 9.278 -2.767 -5.065 1.00 0.00 N ATOM 340 CA ARG A 47 10.002 -2.339 -3.861 1.00 0.00 C ATOM 341 C ARG A 47 9.778 -3.343 -2.721 1.00 0.00 C ATOM 342 O ARG A 47 9.041 -4.316 -2.885 1.00 0.00 O ATOM 343 CB ARG A 47 9.569 -0.910 -3.458 1.00 0.00 C ATOM 344 CG ARG A 47 9.900 0.223 -4.453 1.00 0.00 C ATOM 345 CD ARG A 47 11.386 0.614 -4.583 1.00 0.00 C ATOM 346 NE ARG A 47 12.166 -0.385 -5.324 1.00 0.00 N ATOM 347 CZ ARG A 47 13.492 -0.495 -5.452 1.00 0.00 C ATOM 348 NH1 ARG A 47 14.350 0.363 -4.913 1.00 0.00 N ATOM 349 NH2 ARG A 47 13.969 -1.503 -6.164 1.00 0.00 N ATOM 0 H ARG A 47 8.314 -3.032 -4.862 1.00 0.00 H new ATOM 0 HA ARG A 47 11.071 -2.314 -4.074 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.491 -0.915 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.035 -0.670 -2.502 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.538 -0.072 -5.438 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.339 1.110 -4.159 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.462 1.577 -5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.814 0.740 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 47 11.619 -1.096 -5.810 1.00 0.00 H new ATOM 0 HH11 ARG A 47 14.006 1.154 -4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 47 15.353 0.231 -5.043 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.329 -2.169 -6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.976 -1.614 -6.280 1.00 0.00 H new ATOM 363 N ASP A 48 10.460 -3.129 -1.596 1.00 0.00 N ATOM 364 CA ASP A 48 10.498 -3.990 -0.410 1.00 0.00 C ATOM 365 C ASP A 48 9.285 -3.648 0.462 1.00 0.00 C ATOM 366 O ASP A 48 9.248 -2.590 1.096 1.00 0.00 O ATOM 367 CB ASP A 48 11.841 -3.847 0.338 1.00 0.00 C ATOM 368 CG ASP A 48 13.044 -4.258 -0.524 1.00 0.00 C ATOM 369 OD1 ASP A 48 13.496 -5.424 -0.460 1.00 0.00 O ATOM 370 OD2 ASP A 48 13.498 -3.414 -1.337 1.00 0.00 O ATOM 0 H ASP A 48 11.038 -2.297 -1.479 1.00 0.00 H new ATOM 0 HA ASP A 48 10.437 -5.040 -0.694 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.965 -2.813 0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 48 11.818 -4.460 1.239 1.00 0.00 H new ATOM 376 N VAL A 49 8.256 -4.496 0.442 1.00 0.00 N ATOM 377 CA VAL A 49 6.987 -4.313 1.145 1.00 0.00 C ATOM 378 C VAL A 49 7.080 -5.029 2.497 1.00 0.00 C ATOM 379 O VAL A 49 7.581 -6.149 2.563 1.00 0.00 O ATOM 380 CB VAL A 49 5.833 -4.893 0.292 1.00 0.00 C ATOM 381 CG1 VAL A 49 4.453 -4.600 0.900 1.00 0.00 C ATOM 382 CG2 VAL A 49 5.827 -4.367 -1.151 1.00 0.00 C ATOM 0 H VAL A 49 8.286 -5.367 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 49 6.787 -3.254 1.309 1.00 0.00 H new ATOM 0 HB VAL A 49 6.018 -5.967 0.283 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.677 -5.027 0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.392 -5.042 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.309 -3.522 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.994 -4.811 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.718 -3.282 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.764 -4.634 -1.639 1.00 0.00 H new ATOM 392 N THR A 50 6.557 -4.438 3.567 1.00 0.00 N ATOM 393 CA THR A 50 6.639 -4.926 4.942 1.00 0.00 C ATOM 394 C THR A 50 5.216 -5.004 5.482 1.00 0.00 C ATOM 395 O THR A 50 4.432 -4.084 5.258 1.00 0.00 O ATOM 396 CB THR A 50 7.524 -3.969 5.753 1.00 0.00 C ATOM 397 OG1 THR A 50 8.768 -3.835 5.088 1.00 0.00 O ATOM 398 CG2 THR A 50 7.787 -4.465 7.178 1.00 0.00 C ATOM 0 H THR A 50 6.039 -3.562 3.496 1.00 0.00 H new ATOM 0 HA THR A 50 7.091 -5.916 5.006 1.00 0.00 H new ATOM 0 HB THR A 50 6.996 -3.018 5.828 1.00 0.00 H new ATOM 0 HG1 THR A 50 9.320 -4.625 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.418 -3.747 7.702 1.00 0.00 H new ATOM 0 HG22 THR A 50 6.840 -4.570 7.707 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.291 -5.431 7.140 1.00 0.00 H new ATOM 406 N PHE A 51 4.823 -6.116 6.103 1.00 0.00 N ATOM 407 CA PHE A 51 3.446 -6.402 6.413 1.00 0.00 C ATOM 408 C PHE A 51 3.412 -7.216 7.693 1.00 0.00 C ATOM 409 O PHE A 51 4.307 -8.015 7.980 1.00 0.00 O ATOM 410 CB PHE A 51 2.795 -7.154 5.241 1.00 0.00 C ATOM 411 CG PHE A 51 3.523 -8.375 4.721 1.00 0.00 C ATOM 412 CD1 PHE A 51 4.831 -8.310 4.198 1.00 0.00 C ATOM 413 CD2 PHE A 51 2.840 -9.591 4.716 1.00 0.00 C ATOM 414 CE1 PHE A 51 5.488 -9.477 3.787 1.00 0.00 C ATOM 415 CE2 PHE A 51 3.481 -10.754 4.250 1.00 0.00 C ATOM 416 CZ PHE A 51 4.802 -10.693 3.804 1.00 0.00 C ATOM 0 H PHE A 51 5.470 -6.845 6.404 1.00 0.00 H new ATOM 0 HA PHE A 51 2.879 -5.483 6.562 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.795 -7.461 5.548 1.00 0.00 H new ATOM 0 HB3 PHE A 51 2.674 -6.454 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.329 -7.355 4.114 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.821 -9.640 5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 51 6.516 -9.436 3.460 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.950 -11.694 4.238 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.297 -11.593 3.470 1.00 0.00 H new ATOM 426 N ASN A 52 2.382 -6.978 8.484 1.00 0.00 N ATOM 427 CA ASN A 52 2.232 -7.498 9.828 1.00 0.00 C ATOM 428 C ASN A 52 0.748 -7.679 10.089 1.00 0.00 C ATOM 429 O ASN A 52 -0.085 -7.246 9.293 1.00 0.00 O ATOM 430 CB ASN A 52 2.918 -6.591 10.863 1.00 0.00 C ATOM 431 CG ASN A 52 2.783 -5.094 10.611 1.00 0.00 C ATOM 432 OD1 ASN A 52 1.859 -4.444 11.088 1.00 0.00 O ATOM 433 ND2 ASN A 52 3.723 -4.521 9.878 1.00 0.00 N ATOM 0 H ASN A 52 1.597 -6.394 8.195 1.00 0.00 H new ATOM 0 HA ASN A 52 2.730 -8.463 9.924 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.506 -6.815 11.847 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.978 -6.843 10.896 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.689 -3.517 9.699 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.482 -5.083 9.492 1.00 0.00 H new ATOM 440 N THR A 53 0.428 -8.425 11.138 1.00 0.00 N ATOM 441 CA THR A 53 -0.915 -8.922 11.371 1.00 0.00 C ATOM 442 C THR A 53 -1.796 -7.747 11.795 1.00 0.00 C ATOM 443 O THR A 53 -1.437 -6.975 12.688 1.00 0.00 O ATOM 444 CB THR A 53 -0.882 -10.084 12.381 1.00 0.00 C ATOM 445 OG1 THR A 53 0.320 -10.832 12.207 1.00 0.00 O ATOM 446 CG2 THR A 53 -2.070 -11.011 12.145 1.00 0.00 C ATOM 0 H THR A 53 1.100 -8.702 11.854 1.00 0.00 H new ATOM 0 HA THR A 53 -1.350 -9.341 10.464 1.00 0.00 H new ATOM 0 HB THR A 53 -0.928 -9.675 13.390 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.101 -11.779 12.081 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.040 -11.831 12.863 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.998 -10.453 12.270 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.022 -11.413 11.133 1.00 0.00 H new ATOM 454 N GLY A 54 -2.927 -7.592 11.122 1.00 0.00 N ATOM 455 CA GLY A 54 -3.931 -6.590 11.370 1.00 0.00 C ATOM 456 C GLY A 54 -5.250 -7.269 11.079 1.00 0.00 C ATOM 457 O GLY A 54 -5.725 -8.017 11.934 1.00 0.00 O ATOM 0 H GLY A 54 -3.175 -8.203 10.344 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.889 -6.237 12.400 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.786 -5.720 10.729 1.00 0.00 H new ATOM 461 N ASP A 55 -5.796 -7.077 9.876 1.00 0.00 N ATOM 462 CA ASP A 55 -7.035 -7.709 9.431 1.00 0.00 C ATOM 463 C ASP A 55 -7.100 -7.718 7.900 1.00 0.00 C ATOM 464 O ASP A 55 -7.076 -6.651 7.285 1.00 0.00 O ATOM 465 CB ASP A 55 -8.210 -6.920 10.003 1.00 0.00 C ATOM 466 CG ASP A 55 -9.534 -7.424 9.441 1.00 0.00 C ATOM 467 OD1 ASP A 55 -10.022 -8.466 9.930 1.00 0.00 O ATOM 468 OD2 ASP A 55 -10.055 -6.789 8.499 1.00 0.00 O ATOM 0 H ASP A 55 -5.380 -6.466 9.173 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.075 -8.741 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.216 -7.007 11.090 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.091 -5.862 9.768 1.00 0.00 H new ATOM 474 N SER A 56 -7.124 -8.906 7.286 1.00 0.00 N ATOM 475 CA SER A 56 -7.359 -9.243 5.875 1.00 0.00 C ATOM 476 C SER A 56 -7.408 -10.786 5.788 1.00 0.00 C ATOM 477 O SER A 56 -7.367 -11.446 6.826 1.00 0.00 O ATOM 478 CB SER A 56 -6.275 -8.631 4.970 1.00 0.00 C ATOM 479 OG SER A 56 -6.484 -7.234 4.843 1.00 0.00 O ATOM 0 H SER A 56 -6.960 -9.754 7.829 1.00 0.00 H new ATOM 0 HA SER A 56 -8.300 -8.824 5.518 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.288 -8.823 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.301 -9.102 3.987 1.00 0.00 H new ATOM 0 HG SER A 56 -6.392 -6.808 5.721 1.00 0.00 H new ATOM 485 N GLU A 57 -7.489 -11.390 4.596 1.00 0.00 N ATOM 486 CA GLU A 57 -7.650 -12.841 4.439 1.00 0.00 C ATOM 487 C GLU A 57 -6.490 -13.611 5.084 1.00 0.00 C ATOM 488 O GLU A 57 -6.720 -14.506 5.897 1.00 0.00 O ATOM 489 CB GLU A 57 -7.781 -13.178 2.947 1.00 0.00 C ATOM 490 CG GLU A 57 -8.037 -14.663 2.649 1.00 0.00 C ATOM 491 CD GLU A 57 -9.425 -15.154 3.080 1.00 0.00 C ATOM 492 OE1 GLU A 57 -9.510 -16.147 3.840 1.00 0.00 O ATOM 493 OE2 GLU A 57 -10.453 -14.586 2.659 1.00 0.00 O ATOM 0 H GLU A 57 -7.445 -10.885 3.711 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.558 -13.151 4.956 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.596 -12.590 2.525 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.868 -12.870 2.437 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.918 -14.834 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.278 -15.261 3.154 1.00 0.00 H new ATOM 501 N GLN A 58 -5.240 -13.256 4.772 1.00 0.00 N ATOM 502 CA GLN A 58 -4.054 -13.804 5.443 1.00 0.00 C ATOM 503 C GLN A 58 -3.754 -13.080 6.761 1.00 0.00 C ATOM 504 O GLN A 58 -2.637 -13.172 7.268 1.00 0.00 O ATOM 505 CB GLN A 58 -2.861 -13.804 4.476 1.00 0.00 C ATOM 506 CG GLN A 58 -3.059 -14.889 3.415 1.00 0.00 C ATOM 507 CD GLN A 58 -1.820 -15.027 2.550 1.00 0.00 C ATOM 508 OE1 GLN A 58 -0.978 -15.901 2.753 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.607 -14.126 1.607 1.00 0.00 N ATOM 0 H GLN A 58 -5.020 -12.577 4.043 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.256 -14.838 5.721 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.766 -12.828 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.936 -13.982 5.024 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.279 -15.841 3.898 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.918 -14.642 2.791 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.299 -13.398 1.432 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.750 -14.159 1.054 1.00 0.00 H new ATOM 518 N GLY A 59 -4.696 -12.302 7.293 1.00 0.00 N ATOM 519 CA GLY A 59 -4.590 -11.587 8.558 1.00 0.00 C ATOM 520 C GLY A 59 -3.690 -10.361 8.454 1.00 0.00 C ATOM 521 O GLY A 59 -3.864 -9.387 9.175 1.00 0.00 O ATOM 0 H GLY A 59 -5.592 -12.148 6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.584 -11.279 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.198 -12.259 9.321 1.00 0.00 H new ATOM 525 N ILE A 60 -2.719 -10.401 7.550 1.00 0.00 N ATOM 526 CA ILE A 60 -1.664 -9.430 7.400 1.00 0.00 C ATOM 527 C ILE A 60 -2.058 -8.312 6.454 1.00 0.00 C ATOM 528 O ILE A 60 -2.810 -8.493 5.494 1.00 0.00 O ATOM 529 CB ILE A 60 -0.374 -10.123 6.934 1.00 0.00 C ATOM 530 CG1 ILE A 60 -0.568 -11.013 5.677 1.00 0.00 C ATOM 531 CG2 ILE A 60 0.213 -10.885 8.122 1.00 0.00 C ATOM 532 CD1 ILE A 60 0.580 -12.002 5.442 1.00 0.00 C ATOM 0 H ILE A 60 -2.651 -11.157 6.869 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.484 -8.972 8.373 1.00 0.00 H new ATOM 0 HB ILE A 60 0.335 -9.364 6.603 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.501 -11.569 5.776 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -0.670 -10.373 4.801 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.131 -11.386 7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.433 -10.187 8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.506 -11.626 8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 60 0.376 -12.590 4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.512 -11.453 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.669 -12.667 6.301 1.00 0.00 H new ATOM 544 N VAL A 61 -1.469 -7.154 6.720 1.00 0.00 N ATOM 545 CA VAL A 61 -1.741 -5.905 6.048 1.00 0.00 C ATOM 546 C VAL A 61 -0.393 -5.238 5.761 1.00 0.00 C ATOM 547 O VAL A 61 0.490 -5.240 6.626 1.00 0.00 O ATOM 548 CB VAL A 61 -2.677 -5.049 6.924 1.00 0.00 C ATOM 549 CG1 VAL A 61 -4.079 -5.671 6.924 1.00 0.00 C ATOM 550 CG2 VAL A 61 -2.211 -4.926 8.384 1.00 0.00 C ATOM 0 H VAL A 61 -0.757 -7.063 7.445 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.259 -6.046 5.099 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.673 -4.049 6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.744 -5.069 7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.462 -5.704 5.904 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.028 -6.683 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.917 -4.310 8.941 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.160 -5.917 8.834 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.225 -4.463 8.413 1.00 0.00 H new ATOM 560 N PRO A 62 -0.175 -4.723 4.542 1.00 0.00 N ATOM 561 CA PRO A 62 1.070 -4.069 4.185 1.00 0.00 C ATOM 562 C PRO A 62 1.117 -2.669 4.786 1.00 0.00 C ATOM 563 O PRO A 62 0.110 -1.955 4.783 1.00 0.00 O ATOM 564 CB PRO A 62 1.088 -4.058 2.656 1.00 0.00 C ATOM 565 CG PRO A 62 -0.399 -3.967 2.302 1.00 0.00 C ATOM 566 CD PRO A 62 -1.082 -4.764 3.408 1.00 0.00 C ATOM 0 HA PRO A 62 1.950 -4.582 4.573 1.00 0.00 H new ATOM 0 HB2 PRO A 62 1.650 -3.210 2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.546 -4.960 2.250 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -0.744 -2.933 2.282 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -0.603 -4.390 1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -2.048 -4.329 3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -1.268 -5.791 3.093 1.00 0.00 H new ATOM 574 N CYS A 63 2.312 -2.282 5.236 1.00 0.00 N ATOM 575 CA CYS A 63 2.713 -0.931 5.581 1.00 0.00 C ATOM 576 C CYS A 63 2.590 -0.090 4.312 1.00 0.00 C ATOM 577 O CYS A 63 3.488 -0.087 3.466 1.00 0.00 O ATOM 578 CB CYS A 63 4.151 -0.929 6.123 1.00 0.00 C ATOM 579 SG CYS A 63 4.856 0.723 6.396 1.00 0.00 S ATOM 0 H CYS A 63 3.068 -2.952 5.375 1.00 0.00 H new ATOM 0 HA CYS A 63 2.079 -0.516 6.365 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.171 -1.478 7.064 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.789 -1.471 5.425 1.00 0.00 H new ATOM 0 HG CYS A 63 6.067 0.608 6.854 1.00 0.00 H new ATOM 585 N LEU A 64 1.465 0.597 4.151 1.00 0.00 N ATOM 586 CA LEU A 64 1.223 1.491 3.030 1.00 0.00 C ATOM 587 C LEU A 64 1.077 2.876 3.605 1.00 0.00 C ATOM 588 O LEU A 64 0.415 3.065 4.627 1.00 0.00 O ATOM 589 CB LEU A 64 -0.040 1.096 2.262 1.00 0.00 C ATOM 590 CG LEU A 64 0.078 -0.270 1.570 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.279 -0.601 0.953 1.00 0.00 C ATOM 592 CD2 LEU A 64 1.146 -0.300 0.468 1.00 0.00 C ATOM 0 H LEU A 64 0.685 0.546 4.806 1.00 0.00 H new ATOM 0 HA LEU A 64 2.048 1.441 2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.885 1.076 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.256 1.858 1.513 1.00 0.00 H new ATOM 0 HG LEU A 64 0.380 -1.000 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.225 -1.568 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.036 -0.639 1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.546 0.168 0.228 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.178 -1.293 0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.900 0.436 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.119 -0.064 0.898 1.00 0.00 H new ATOM 604 N THR A 65 1.718 3.851 2.978 1.00 0.00 N ATOM 605 CA THR A 65 1.859 5.164 3.570 1.00 0.00 C ATOM 606 C THR A 65 1.432 6.231 2.576 1.00 0.00 C ATOM 607 O THR A 65 1.202 5.913 1.408 1.00 0.00 O ATOM 608 CB THR A 65 3.273 5.318 4.119 1.00 0.00 C ATOM 609 OG1 THR A 65 4.273 5.348 3.123 1.00 0.00 O ATOM 610 CG2 THR A 65 3.619 4.177 5.089 1.00 0.00 C ATOM 0 H THR A 65 2.148 3.753 2.058 1.00 0.00 H new ATOM 0 HA THR A 65 1.193 5.290 4.423 1.00 0.00 H new ATOM 0 HB THR A 65 3.266 6.282 4.628 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.139 5.548 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.633 4.313 5.464 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.919 4.185 5.924 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.551 3.222 4.567 1.00 0.00 H new ATOM 618 N ARG A 66 1.256 7.483 3.020 1.00 0.00 N ATOM 619 CA ARG A 66 0.632 8.490 2.161 1.00 0.00 C ATOM 620 C ARG A 66 1.461 8.669 0.895 1.00 0.00 C ATOM 621 O ARG A 66 0.900 8.635 -0.198 1.00 0.00 O ATOM 622 CB ARG A 66 0.475 9.834 2.872 1.00 0.00 C ATOM 623 CG ARG A 66 -0.364 9.733 4.143 1.00 0.00 C ATOM 624 CD ARG A 66 -0.887 11.087 4.624 1.00 0.00 C ATOM 625 NE ARG A 66 0.183 12.050 4.919 1.00 0.00 N ATOM 626 CZ ARG A 66 0.050 13.124 5.705 1.00 0.00 C ATOM 627 NH1 ARG A 66 -1.099 13.384 6.323 1.00 0.00 N ATOM 628 NH2 ARG A 66 1.060 13.965 5.871 1.00 0.00 N ATOM 0 H ARG A 66 1.530 7.814 3.945 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.367 8.135 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.461 10.225 3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.012 10.549 2.192 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.208 9.067 3.962 1.00 0.00 H new ATOM 0 HG3 ARG A 66 0.236 9.280 4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.544 11.506 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.490 10.939 5.520 1.00 0.00 H new ATOM 0 HE ARG A 66 1.095 11.887 4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.896 12.760 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.183 14.208 6.919 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.948 13.796 5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 66 0.950 14.782 6.472 1.00 0.00 H new ATOM 642 N ALA A 67 2.776 8.769 1.073 1.00 0.00 N ATOM 643 CA ALA A 67 3.821 8.624 0.080 1.00 0.00 C ATOM 644 C ALA A 67 3.459 7.607 -1.000 1.00 0.00 C ATOM 645 O ALA A 67 3.229 7.955 -2.160 1.00 0.00 O ATOM 646 CB ALA A 67 5.072 8.179 0.844 1.00 0.00 C ATOM 0 H ALA A 67 3.163 8.970 1.995 1.00 0.00 H new ATOM 0 HA ALA A 67 3.977 9.567 -0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.899 8.052 0.145 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.335 8.935 1.584 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.874 7.233 1.347 1.00 0.00 H new ATOM 652 N GLN A 68 3.449 6.335 -0.608 1.00 0.00 N ATOM 653 CA GLN A 68 3.310 5.206 -1.507 1.00 0.00 C ATOM 654 C GLN A 68 1.924 5.180 -2.142 1.00 0.00 C ATOM 655 O GLN A 68 1.802 4.986 -3.350 1.00 0.00 O ATOM 656 CB GLN A 68 3.662 3.919 -0.729 1.00 0.00 C ATOM 657 CG GLN A 68 4.948 3.285 -1.279 1.00 0.00 C ATOM 658 CD GLN A 68 6.112 4.276 -1.329 1.00 0.00 C ATOM 659 OE1 GLN A 68 6.545 4.687 -2.405 1.00 0.00 O ATOM 660 NE2 GLN A 68 6.582 4.754 -0.191 1.00 0.00 N ATOM 0 H GLN A 68 3.540 6.060 0.370 1.00 0.00 H new ATOM 0 HA GLN A 68 4.003 5.291 -2.344 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.789 4.151 0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.840 3.207 -0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.225 2.434 -0.657 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.760 2.899 -2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.218 4.408 0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 68 7.309 5.469 -0.200 1.00 0.00 H new ATOM 669 N LEU A 69 0.878 5.422 -1.355 1.00 0.00 N ATOM 670 CA LEU A 69 -0.496 5.425 -1.822 1.00 0.00 C ATOM 671 C LEU A 69 -0.687 6.469 -2.919 1.00 0.00 C ATOM 672 O LEU A 69 -1.265 6.169 -3.961 1.00 0.00 O ATOM 673 CB LEU A 69 -1.449 5.692 -0.647 1.00 0.00 C ATOM 674 CG LEU A 69 -1.548 4.554 0.391 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.447 4.987 1.554 1.00 0.00 C ATOM 676 CD2 LEU A 69 -2.136 3.279 -0.233 1.00 0.00 C ATOM 0 H LEU A 69 0.969 5.624 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.726 4.446 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.126 6.600 -0.137 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.445 5.887 -1.045 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.540 4.342 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.513 4.179 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.025 5.872 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.443 5.218 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.193 2.496 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.135 3.488 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.498 2.947 -1.052 1.00 0.00 H new ATOM 688 N ALA A 70 -0.196 7.688 -2.712 1.00 0.00 N ATOM 689 CA ALA A 70 -0.266 8.760 -3.695 1.00 0.00 C ATOM 690 C ALA A 70 0.577 8.487 -4.942 1.00 0.00 C ATOM 691 O ALA A 70 0.293 9.042 -6.003 1.00 0.00 O ATOM 692 CB ALA A 70 0.223 10.033 -3.031 1.00 0.00 C ATOM 0 H ALA A 70 0.267 7.960 -1.845 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.300 8.845 -4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.182 10.855 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.411 10.264 -2.175 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.251 9.896 -2.694 1.00 0.00 H new ATOM 698 N SER A 71 1.591 7.625 -4.830 1.00 0.00 N ATOM 699 CA SER A 71 2.365 7.173 -5.972 1.00 0.00 C ATOM 700 C SER A 71 1.459 6.327 -6.872 1.00 0.00 C ATOM 701 O SER A 71 1.402 6.560 -8.085 1.00 0.00 O ATOM 702 CB SER A 71 3.597 6.408 -5.475 1.00 0.00 C ATOM 703 OG SER A 71 4.562 6.311 -6.494 1.00 0.00 O ATOM 0 H SER A 71 1.893 7.225 -3.942 1.00 0.00 H new ATOM 0 HA SER A 71 2.729 8.012 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.023 6.916 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.305 5.410 -5.147 1.00 0.00 H new ATOM 0 HG SER A 71 5.342 5.822 -6.160 1.00 0.00 H new ATOM 709 N MET A 72 0.713 5.383 -6.281 1.00 0.00 N ATOM 710 CA MET A 72 -0.263 4.557 -6.972 1.00 0.00 C ATOM 711 C MET A 72 -1.436 5.414 -7.470 1.00 0.00 C ATOM 712 O MET A 72 -2.014 5.121 -8.516 1.00 0.00 O ATOM 713 CB MET A 72 -0.748 3.410 -6.062 1.00 0.00 C ATOM 714 CG MET A 72 0.366 2.641 -5.326 1.00 0.00 C ATOM 715 SD MET A 72 0.028 2.249 -3.594 1.00 0.00 S ATOM 716 CE MET A 72 1.679 1.648 -3.145 1.00 0.00 C ATOM 0 H MET A 72 0.780 5.175 -5.285 1.00 0.00 H new ATOM 0 HA MET A 72 0.215 4.107 -7.843 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.434 3.821 -5.321 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.317 2.704 -6.667 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.555 1.710 -5.861 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.283 3.229 -5.375 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.602 0.978 -2.289 1.00 0.00 H new ATOM 0 HE2 MET A 72 2.112 1.111 -3.989 1.00 0.00 H new ATOM 0 HE3 MET A 72 2.316 2.494 -2.887 1.00 0.00 H new ATOM 726 N GLY A 73 -1.751 6.499 -6.755 1.00 0.00 N ATOM 727 CA GLY A 73 -2.674 7.542 -7.171 1.00 0.00 C ATOM 728 C GLY A 73 -3.885 7.619 -6.250 1.00 0.00 C ATOM 729 O GLY A 73 -5.003 7.784 -6.736 1.00 0.00 O ATOM 0 H GLY A 73 -1.350 6.675 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.159 8.503 -7.177 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.004 7.350 -8.192 1.00 0.00 H new ATOM 733 N LEU A 74 -3.701 7.468 -4.937 1.00 0.00 N ATOM 734 CA LEU A 74 -4.750 7.540 -3.922 1.00 0.00 C ATOM 735 C LEU A 74 -4.907 8.962 -3.394 1.00 0.00 C ATOM 736 O LEU A 74 -3.942 9.621 -3.013 1.00 0.00 O ATOM 737 CB LEU A 74 -4.324 6.627 -2.781 1.00 0.00 C ATOM 738 CG LEU A 74 -5.243 6.453 -1.557 1.00 0.00 C ATOM 739 CD1 LEU A 74 -4.860 7.345 -0.380 1.00 0.00 C ATOM 740 CD2 LEU A 74 -6.748 6.541 -1.726 1.00 0.00 C ATOM 0 H LEU A 74 -2.780 7.285 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.705 7.237 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.153 5.637 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.362 6.988 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.041 5.398 -1.369 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.548 7.171 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -3.844 7.111 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.914 8.391 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.232 6.394 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.013 7.522 -2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -7.082 5.770 -2.420 1.00 0.00 H new ATOM 752 N ASN A 75 -6.155 9.396 -3.270 1.00 0.00 N ATOM 753 CA ASN A 75 -6.560 10.712 -2.814 1.00 0.00 C ATOM 754 C ASN A 75 -6.474 10.749 -1.289 1.00 0.00 C ATOM 755 O ASN A 75 -7.476 10.581 -0.594 1.00 0.00 O ATOM 756 CB ASN A 75 -7.993 10.955 -3.329 1.00 0.00 C ATOM 757 CG ASN A 75 -8.475 12.392 -3.421 1.00 0.00 C ATOM 758 OD1 ASN A 75 -9.541 12.616 -3.971 1.00 0.00 O ATOM 759 ND2 ASN A 75 -7.736 13.406 -3.015 1.00 0.00 N ATOM 0 H ASN A 75 -6.953 8.803 -3.499 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.913 11.502 -3.195 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.073 10.510 -4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.680 10.412 -2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.058 14.363 -3.162 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.843 13.234 -2.554 1.00 0.00 H new ATOM 766 N THR A 76 -5.277 10.969 -0.741 1.00 0.00 N ATOM 767 CA THR A 76 -4.995 11.024 0.697 1.00 0.00 C ATOM 768 C THR A 76 -5.705 12.168 1.431 1.00 0.00 C ATOM 769 O THR A 76 -5.519 12.328 2.637 1.00 0.00 O ATOM 770 CB THR A 76 -3.476 11.135 0.926 1.00 0.00 C ATOM 771 OG1 THR A 76 -2.970 12.362 0.449 1.00 0.00 O ATOM 772 CG2 THR A 76 -2.662 10.065 0.218 1.00 0.00 C ATOM 0 H THR A 76 -4.443 11.120 -1.309 1.00 0.00 H new ATOM 0 HA THR A 76 -5.388 10.098 1.116 1.00 0.00 H new ATOM 0 HB THR A 76 -3.372 11.029 2.006 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.004 12.403 0.611 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.603 10.214 0.430 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.968 9.081 0.572 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.830 10.132 -0.857 1.00 0.00 H new ATOM 780 N ALA A 77 -6.473 13.002 0.726 1.00 0.00 N ATOM 781 CA ALA A 77 -7.327 14.014 1.315 1.00 0.00 C ATOM 782 C ALA A 77 -8.810 13.599 1.309 1.00 0.00 C ATOM 783 O ALA A 77 -9.630 14.283 1.922 1.00 0.00 O ATOM 784 CB ALA A 77 -7.071 15.362 0.623 1.00 0.00 C ATOM 0 H ALA A 77 -6.513 12.985 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.073 14.125 2.369 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.712 16.125 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.027 15.646 0.754 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.292 15.273 -0.441 1.00 0.00 H new ATOM 790 N SER A 78 -9.167 12.479 0.668 1.00 0.00 N ATOM 791 CA SER A 78 -10.539 11.994 0.562 1.00 0.00 C ATOM 792 C SER A 78 -10.853 10.875 1.561 1.00 0.00 C ATOM 793 O SER A 78 -12.029 10.591 1.771 1.00 0.00 O ATOM 794 CB SER A 78 -10.829 11.565 -0.891 1.00 0.00 C ATOM 795 OG SER A 78 -11.926 12.290 -1.399 1.00 0.00 O ATOM 0 H SER A 78 -8.491 11.875 0.200 1.00 0.00 H new ATOM 0 HA SER A 78 -11.205 12.816 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.950 11.737 -1.512 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.041 10.496 -0.928 1.00 0.00 H new ATOM 0 HG SER A 78 -12.102 12.013 -2.322 1.00 0.00 H new ATOM 801 N VAL A 79 -9.863 10.239 2.201 1.00 0.00 N ATOM 802 CA VAL A 79 -10.098 9.062 3.021 1.00 0.00 C ATOM 803 C VAL A 79 -9.988 9.469 4.489 1.00 0.00 C ATOM 804 O VAL A 79 -8.890 9.788 4.959 1.00 0.00 O ATOM 805 CB VAL A 79 -9.177 7.910 2.596 1.00 0.00 C ATOM 806 CG1 VAL A 79 -9.267 7.594 1.097 1.00 0.00 C ATOM 807 CG2 VAL A 79 -7.703 8.019 2.966 1.00 0.00 C ATOM 0 H VAL A 79 -8.886 10.530 2.160 1.00 0.00 H new ATOM 0 HA VAL A 79 -11.104 8.669 2.876 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.584 7.098 3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.593 6.771 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.289 7.311 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.983 8.475 0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.171 7.139 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.278 8.913 2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -7.604 8.084 4.050 1.00 0.00 H new ATOM 817 N ALA A 80 -11.131 9.555 5.169 1.00 0.00 N ATOM 818 CA ALA A 80 -11.317 10.124 6.500 1.00 0.00 C ATOM 819 C ALA A 80 -10.325 11.255 6.806 1.00 0.00 C ATOM 820 O ALA A 80 -10.264 12.248 6.074 1.00 0.00 O ATOM 821 CB ALA A 80 -11.315 9.011 7.556 1.00 0.00 C ATOM 0 H ALA A 80 -12.006 9.206 4.778 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.296 10.602 6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.454 9.448 8.545 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -12.126 8.313 7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.363 8.481 7.524 1.00 0.00 H new ATOM 827 N GLY A 81 -9.502 11.074 7.840 1.00 0.00 N ATOM 828 CA GLY A 81 -8.448 11.978 8.246 1.00 0.00 C ATOM 829 C GLY A 81 -7.059 11.410 7.981 1.00 0.00 C ATOM 830 O GLY A 81 -6.176 11.573 8.820 1.00 0.00 O ATOM 0 H GLY A 81 -9.563 10.251 8.440 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.559 12.923 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.551 12.197 9.309 1.00 0.00 H new ATOM 834 N MET A 82 -6.821 10.780 6.825 1.00 0.00 N ATOM 835 CA MET A 82 -5.454 10.478 6.392 1.00 0.00 C ATOM 836 C MET A 82 -4.603 11.750 6.351 1.00 0.00 C ATOM 837 O MET A 82 -3.447 11.773 6.769 1.00 0.00 O ATOM 838 CB MET A 82 -5.474 9.826 5.010 1.00 0.00 C ATOM 839 CG MET A 82 -4.074 9.399 4.580 1.00 0.00 C ATOM 840 SD MET A 82 -4.018 8.515 3.005 1.00 0.00 S ATOM 841 CE MET A 82 -4.622 6.884 3.477 1.00 0.00 C ATOM 0 H MET A 82 -7.549 10.473 6.180 1.00 0.00 H new ATOM 0 HA MET A 82 -5.013 9.788 7.111 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.133 8.958 5.024 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.883 10.525 4.281 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.442 10.284 4.509 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.646 8.764 5.355 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.056 6.391 2.607 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.794 6.286 3.858 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.381 6.987 4.252 1.00 0.00 H new ATOM 851 N ASN A 83 -5.170 12.845 5.853 1.00 0.00 N ATOM 852 CA ASN A 83 -4.458 14.108 5.688 1.00 0.00 C ATOM 853 C ASN A 83 -4.008 14.759 7.001 1.00 0.00 C ATOM 854 O ASN A 83 -3.235 15.709 6.936 1.00 0.00 O ATOM 855 CB ASN A 83 -5.289 15.093 4.859 1.00 0.00 C ATOM 856 CG ASN A 83 -6.609 15.428 5.527 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.691 16.358 6.319 1.00 0.00 O ATOM 858 ND2 ASN A 83 -7.639 14.647 5.246 1.00 0.00 N ATOM 0 H ASN A 83 -6.143 12.881 5.550 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.541 13.857 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -4.718 16.009 4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.479 14.667 3.874 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.540 14.810 5.695 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.532 13.882 4.580 1.00 0.00 H new ATOM 865 N LEU A 84 -4.421 14.252 8.169 1.00 0.00 N ATOM 866 CA LEU A 84 -3.992 14.766 9.475 1.00 0.00 C ATOM 867 C LEU A 84 -2.869 13.900 10.074 1.00 0.00 C ATOM 868 O LEU A 84 -2.333 14.242 11.127 1.00 0.00 O ATOM 869 CB LEU A 84 -5.150 14.886 10.500 1.00 0.00 C ATOM 870 CG LEU A 84 -6.599 14.605 10.053 1.00 0.00 C ATOM 871 CD1 LEU A 84 -7.385 14.019 11.222 1.00 0.00 C ATOM 872 CD2 LEU A 84 -7.335 15.819 9.512 1.00 0.00 C ATOM 0 H LEU A 84 -5.068 13.466 8.234 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.619 15.772 9.282 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.927 14.209 11.324 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.124 15.898 10.903 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.528 13.899 9.226 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.410 13.820 10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.917 13.089 11.545 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.391 14.729 12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -8.346 15.532 9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.384 16.588 10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.804 16.209 8.643 1.00 0.00 H new ATOM 884 N LEU A 85 -2.562 12.744 9.475 1.00 0.00 N ATOM 885 CA LEU A 85 -1.588 11.778 9.983 1.00 0.00 C ATOM 886 C LEU A 85 -0.156 12.238 9.673 1.00 0.00 C ATOM 887 O LEU A 85 0.065 13.306 9.097 1.00 0.00 O ATOM 888 CB LEU A 85 -1.846 10.408 9.335 1.00 0.00 C ATOM 889 CG LEU A 85 -3.142 9.634 9.674 1.00 0.00 C ATOM 890 CD1 LEU A 85 -2.808 8.193 10.077 1.00 0.00 C ATOM 891 CD2 LEU A 85 -3.988 10.233 10.799 1.00 0.00 C ATOM 0 H LEU A 85 -2.997 12.449 8.601 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.698 11.701 11.065 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.824 10.549 8.254 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.005 9.763 9.590 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.732 9.690 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.728 7.659 10.313 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.300 7.693 9.253 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.158 8.201 10.952 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.872 9.616 10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.401 10.268 11.717 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.294 11.243 10.526 1.00 0.00 H new ATOM 903 N ALA A 86 0.831 11.412 10.025 1.00 0.00 N ATOM 904 CA ALA A 86 2.151 11.448 9.438 1.00 0.00 C ATOM 905 C ALA A 86 2.075 11.042 7.962 1.00 0.00 C ATOM 906 O ALA A 86 1.059 10.515 7.490 1.00 0.00 O ATOM 907 CB ALA A 86 3.041 10.498 10.243 1.00 0.00 C ATOM 0 H ALA A 86 0.723 10.691 10.739 1.00 0.00 H new ATOM 0 HA ALA A 86 2.572 12.453 9.472 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.048 10.501 9.825 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.078 10.827 11.282 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.632 9.489 10.196 1.00 0.00 H new ATOM 913 N ASP A 87 3.186 11.243 7.254 1.00 0.00 N ATOM 914 CA ASP A 87 3.394 10.668 5.932 1.00 0.00 C ATOM 915 C ASP A 87 3.424 9.145 6.045 1.00 0.00 C ATOM 916 O ASP A 87 2.569 8.453 5.484 1.00 0.00 O ATOM 917 CB ASP A 87 4.670 11.194 5.283 1.00 0.00 C ATOM 918 CG ASP A 87 4.842 10.469 3.950 1.00 0.00 C ATOM 919 OD1 ASP A 87 3.935 10.606 3.096 1.00 0.00 O ATOM 920 OD2 ASP A 87 5.849 9.746 3.821 1.00 0.00 O ATOM 0 H ASP A 87 3.966 11.811 7.584 1.00 0.00 H new ATOM 0 HA ASP A 87 2.567 10.966 5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.605 12.271 5.128 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.530 11.017 5.929 1.00 0.00 H new ATOM 926 N ASP A 88 4.370 8.627 6.833 1.00 0.00 N ATOM 927 CA ASP A 88 4.804 7.233 6.741 1.00 0.00 C ATOM 928 C ASP A 88 4.023 6.354 7.713 1.00 0.00 C ATOM 929 O ASP A 88 4.577 5.545 8.451 1.00 0.00 O ATOM 930 CB ASP A 88 6.327 7.080 6.850 1.00 0.00 C ATOM 931 CG ASP A 88 6.842 5.969 5.915 1.00 0.00 C ATOM 932 OD1 ASP A 88 7.664 5.148 6.394 1.00 0.00 O ATOM 933 OD2 ASP A 88 6.427 5.920 4.735 1.00 0.00 O ATOM 0 H ASP A 88 4.856 9.163 7.552 1.00 0.00 H new ATOM 0 HA ASP A 88 4.565 6.873 5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.809 8.024 6.598 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.599 6.848 7.880 1.00 0.00 H new ATOM 939 N ALA A 89 2.728 6.634 7.822 1.00 0.00 N ATOM 940 CA ALA A 89 1.925 6.392 9.013 1.00 0.00 C ATOM 941 C ALA A 89 1.332 4.984 9.161 1.00 0.00 C ATOM 942 O ALA A 89 0.512 4.787 10.060 1.00 0.00 O ATOM 943 CB ALA A 89 0.805 7.425 8.971 1.00 0.00 C ATOM 0 H ALA A 89 2.193 7.049 7.059 1.00 0.00 H new ATOM 0 HA ALA A 89 2.583 6.477 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.161 7.299 9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.234 8.427 8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 89 0.218 7.289 8.063 1.00 0.00 H new ATOM 949 N CYS A 90 1.704 4.043 8.296 1.00 0.00 N ATOM 950 CA CYS A 90 1.108 2.710 8.136 1.00 0.00 C ATOM 951 C CYS A 90 -0.430 2.783 8.129 1.00 0.00 C ATOM 952 O CYS A 90 -1.096 2.467 9.116 1.00 0.00 O ATOM 953 CB CYS A 90 1.634 1.764 9.226 1.00 0.00 C ATOM 954 SG CYS A 90 3.435 1.735 9.403 1.00 0.00 S ATOM 0 H CYS A 90 2.476 4.196 7.647 1.00 0.00 H new ATOM 0 HA CYS A 90 1.406 2.307 7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 90 1.194 2.052 10.181 1.00 0.00 H new ATOM 0 HB3 CYS A 90 1.288 0.754 9.008 1.00 0.00 H new ATOM 0 HG CYS A 90 3.973 1.315 8.297 1.00 0.00 H new ATOM 960 N VAL A 91 -1.012 3.254 7.028 1.00 0.00 N ATOM 961 CA VAL A 91 -2.436 3.541 6.914 1.00 0.00 C ATOM 962 C VAL A 91 -3.181 2.281 6.428 1.00 0.00 C ATOM 963 O VAL A 91 -2.649 1.540 5.589 1.00 0.00 O ATOM 964 CB VAL A 91 -2.673 4.764 5.992 1.00 0.00 C ATOM 965 CG1 VAL A 91 -3.913 5.535 6.479 1.00 0.00 C ATOM 966 CG2 VAL A 91 -1.506 5.763 5.965 1.00 0.00 C ATOM 0 H VAL A 91 -0.493 3.450 6.172 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.837 3.805 7.892 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.793 4.357 4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.083 6.396 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.784 4.880 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.751 5.875 7.502 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.750 6.589 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.333 6.148 6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.606 5.262 5.608 1.00 0.00 H new ATOM 976 N PRO A 92 -4.384 1.985 6.952 1.00 0.00 N ATOM 977 CA PRO A 92 -5.148 0.829 6.520 1.00 0.00 C ATOM 978 C PRO A 92 -5.843 1.064 5.198 1.00 0.00 C ATOM 979 O PRO A 92 -6.623 2.019 5.063 1.00 0.00 O ATOM 980 CB PRO A 92 -6.218 0.604 7.551 1.00 0.00 C ATOM 981 CG PRO A 92 -6.356 1.913 8.313 1.00 0.00 C ATOM 982 CD PRO A 92 -5.027 2.632 8.088 1.00 0.00 C ATOM 0 HA PRO A 92 -4.469 -0.016 6.405 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -7.161 0.327 7.079 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.946 -0.210 8.223 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.194 2.502 7.940 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.537 1.737 9.373 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.190 3.691 7.888 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.398 2.568 8.976 1.00 0.00 H new ATOM 990 N LEU A 93 -5.662 0.133 4.267 1.00 0.00 N ATOM 991 CA LEU A 93 -6.279 0.249 2.965 1.00 0.00 C ATOM 992 C LEU A 93 -7.675 -0.365 2.901 1.00 0.00 C ATOM 993 O LEU A 93 -8.423 0.002 2.005 1.00 0.00 O ATOM 994 CB LEU A 93 -5.345 -0.294 1.882 1.00 0.00 C ATOM 995 CG LEU A 93 -5.678 0.204 0.458 1.00 0.00 C ATOM 996 CD1 LEU A 93 -5.729 1.733 0.371 1.00 0.00 C ATOM 997 CD2 LEU A 93 -4.608 -0.230 -0.534 1.00 0.00 C ATOM 0 H LEU A 93 -5.094 -0.704 4.396 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.435 1.311 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.321 -0.011 2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.386 -1.383 1.894 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.652 -0.226 0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.967 2.032 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.496 2.111 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.761 2.146 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.866 0.133 -1.529 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.645 0.184 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.546 -1.318 -0.549 1.00 0.00 H new ATOM 1009 N THR A 94 -8.070 -1.216 3.850 1.00 0.00 N ATOM 1010 CA THR A 94 -9.429 -1.759 3.899 1.00 0.00 C ATOM 1011 C THR A 94 -10.275 -1.111 5.004 1.00 0.00 C ATOM 1012 O THR A 94 -11.426 -1.502 5.178 1.00 0.00 O ATOM 1013 CB THR A 94 -9.366 -3.299 3.920 1.00 0.00 C ATOM 1014 OG1 THR A 94 -10.597 -3.881 3.545 1.00 0.00 O ATOM 1015 CG2 THR A 94 -8.929 -3.890 5.263 1.00 0.00 C ATOM 0 H THR A 94 -7.463 -1.546 4.600 1.00 0.00 H new ATOM 0 HA THR A 94 -9.971 -1.492 2.992 1.00 0.00 H new ATOM 0 HB THR A 94 -8.598 -3.545 3.187 1.00 0.00 H new ATOM 0 HG1 THR A 94 -11.334 -3.364 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 94 -8.911 -4.978 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 94 -7.933 -3.526 5.514 1.00 0.00 H new ATOM 0 HG23 THR A 94 -9.632 -3.588 6.039 1.00 0.00 H new ATOM 1023 N THR A 95 -9.722 -0.146 5.752 1.00 0.00 N ATOM 1024 CA THR A 95 -10.306 0.255 7.039 1.00 0.00 C ATOM 1025 C THR A 95 -10.504 1.773 7.146 1.00 0.00 C ATOM 1026 O THR A 95 -11.531 2.214 7.664 1.00 0.00 O ATOM 1027 CB THR A 95 -9.441 -0.294 8.192 1.00 0.00 C ATOM 1028 OG1 THR A 95 -8.754 -1.479 7.824 1.00 0.00 O ATOM 1029 CG2 THR A 95 -10.175 -0.584 9.490 1.00 0.00 C ATOM 0 H THR A 95 -8.880 0.367 5.491 1.00 0.00 H new ATOM 0 HA THR A 95 -11.304 -0.178 7.110 1.00 0.00 H new ATOM 0 HB THR A 95 -8.753 0.530 8.380 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.216 -1.794 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.470 -0.965 10.229 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.632 0.333 9.863 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.951 -1.329 9.311 1.00 0.00 H new ATOM 1037 N MET A 96 -9.536 2.597 6.709 1.00 0.00 N ATOM 1038 CA MET A 96 -9.694 4.052 6.715 1.00 0.00 C ATOM 1039 C MET A 96 -10.585 4.487 5.557 1.00 0.00 C ATOM 1040 O MET A 96 -11.462 5.331 5.720 1.00 0.00 O ATOM 1041 CB MET A 96 -8.329 4.747 6.646 1.00 0.00 C ATOM 1042 CG MET A 96 -8.486 6.260 6.497 1.00 0.00 C ATOM 1043 SD MET A 96 -6.953 7.166 6.763 1.00 0.00 S ATOM 1044 CE MET A 96 -7.043 7.409 8.542 1.00 0.00 C ATOM 0 H MET A 96 -8.638 2.275 6.348 1.00 0.00 H new ATOM 0 HA MET A 96 -10.172 4.347 7.649 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.759 4.525 7.548 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.760 4.353 5.804 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.863 6.482 5.499 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.235 6.612 7.206 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.164 7.959 8.879 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.941 7.975 8.787 1.00 0.00 H new ATOM 0 HE3 MET A 96 -7.078 6.440 9.040 1.00 0.00 H new ATOM 1054 N VAL A 97 -10.304 3.946 4.378 1.00 0.00 N ATOM 1055 CA VAL A 97 -11.082 4.101 3.159 1.00 0.00 C ATOM 1056 C VAL A 97 -12.191 3.043 3.155 1.00 0.00 C ATOM 1057 O VAL A 97 -12.385 2.324 4.142 1.00 0.00 O ATOM 1058 CB VAL A 97 -10.102 4.135 1.963 1.00 0.00 C ATOM 1059 CG1 VAL A 97 -8.973 3.122 2.104 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -10.720 4.115 0.561 1.00 0.00 C ATOM 0 H VAL A 97 -9.483 3.356 4.241 1.00 0.00 H new ATOM 0 HA VAL A 97 -11.624 5.044 3.083 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.679 5.137 2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.315 3.188 1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.404 3.335 3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.391 2.117 2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.927 4.142 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -11.306 3.205 0.435 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -11.367 4.984 0.436 1.00 0.00 H new ATOM 1070 N GLN A 98 -12.972 3.028 2.083 1.00 0.00 N ATOM 1071 CA GLN A 98 -14.090 2.162 1.819 1.00 0.00 C ATOM 1072 C GLN A 98 -13.838 1.517 0.463 1.00 0.00 C ATOM 1073 O GLN A 98 -13.477 2.220 -0.485 1.00 0.00 O ATOM 1074 CB GLN A 98 -15.334 3.055 1.799 1.00 0.00 C ATOM 1075 CG GLN A 98 -16.580 2.364 1.252 1.00 0.00 C ATOM 1076 CD GLN A 98 -17.037 2.850 -0.123 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -18.229 3.088 -0.311 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -16.170 2.990 -1.116 1.00 0.00 N ATOM 0 H GLN A 98 -12.817 3.682 1.316 1.00 0.00 H new ATOM 0 HA GLN A 98 -14.225 1.376 2.562 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -15.537 3.401 2.812 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -15.126 3.939 1.196 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.388 1.292 1.197 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -17.396 2.505 1.960 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -15.181 2.793 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -16.492 3.295 -2.035 1.00 0.00 H new ATOM 1087 N ASP A 99 -14.106 0.217 0.358 1.00 0.00 N ATOM 1088 CA ASP A 99 -14.053 -0.622 -0.850 1.00 0.00 C ATOM 1089 C ASP A 99 -12.660 -0.732 -1.482 1.00 0.00 C ATOM 1090 O ASP A 99 -12.446 -1.506 -2.416 1.00 0.00 O ATOM 1091 CB ASP A 99 -15.120 -0.173 -1.850 1.00 0.00 C ATOM 1092 CG ASP A 99 -15.516 -1.221 -2.902 1.00 0.00 C ATOM 1093 OD1 ASP A 99 -15.190 -2.419 -2.771 1.00 0.00 O ATOM 1094 OD2 ASP A 99 -16.276 -0.865 -3.834 1.00 0.00 O ATOM 0 H ASP A 99 -14.388 -0.324 1.175 1.00 0.00 H new ATOM 0 HA ASP A 99 -14.278 -1.641 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -16.013 0.118 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.760 0.717 -2.366 1.00 0.00 H new ATOM 1100 N ALA A 100 -11.675 -0.002 -0.960 1.00 0.00 N ATOM 1101 CA ALA A 100 -10.280 -0.286 -1.221 1.00 0.00 C ATOM 1102 C ALA A 100 -9.840 -1.503 -0.404 1.00 0.00 C ATOM 1103 O ALA A 100 -10.454 -1.810 0.620 1.00 0.00 O ATOM 1104 CB ALA A 100 -9.502 0.965 -0.831 1.00 0.00 C ATOM 0 H ALA A 100 -11.829 0.799 -0.347 1.00 0.00 H new ATOM 0 HA ALA A 100 -10.101 -0.526 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -8.439 0.803 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.846 1.809 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.664 1.180 0.225 1.00 0.00 H new ATOM 1110 N THR A 101 -8.797 -2.206 -0.846 1.00 0.00 N ATOM 1111 CA THR A 101 -8.338 -3.448 -0.230 1.00 0.00 C ATOM 1112 C THR A 101 -6.833 -3.615 -0.461 1.00 0.00 C ATOM 1113 O THR A 101 -6.243 -2.910 -1.289 1.00 0.00 O ATOM 1114 CB THR A 101 -9.155 -4.667 -0.739 1.00 0.00 C ATOM 1115 OG1 THR A 101 -8.668 -5.212 -1.953 1.00 0.00 O ATOM 1116 CG2 THR A 101 -10.655 -4.418 -0.955 1.00 0.00 C ATOM 0 H THR A 101 -8.241 -1.924 -1.653 1.00 0.00 H new ATOM 0 HA THR A 101 -8.508 -3.396 0.845 1.00 0.00 H new ATOM 0 HB THR A 101 -9.023 -5.363 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.225 -5.975 -2.216 1.00 0.00 H new ATOM 0 HG21 THR A 101 -11.128 -5.333 -1.310 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.113 -4.115 -0.013 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.790 -3.629 -1.695 1.00 0.00 H new ATOM 1124 N ALA A 102 -6.207 -4.549 0.258 1.00 0.00 N ATOM 1125 CA ALA A 102 -4.797 -4.885 0.131 1.00 0.00 C ATOM 1126 C ALA A 102 -4.611 -6.383 0.356 1.00 0.00 C ATOM 1127 O ALA A 102 -4.610 -6.851 1.500 1.00 0.00 O ATOM 1128 CB ALA A 102 -3.969 -4.063 1.122 1.00 0.00 C ATOM 0 H ALA A 102 -6.687 -5.106 0.965 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.448 -4.642 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -2.915 -4.322 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.103 -3.001 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.298 -4.280 2.138 1.00 0.00 H new ATOM 1134 N HIS A 103 -4.462 -7.129 -0.735 1.00 0.00 N ATOM 1135 CA HIS A 103 -4.240 -8.566 -0.728 1.00 0.00 C ATOM 1136 C HIS A 103 -2.854 -8.854 -1.305 1.00 0.00 C ATOM 1137 O HIS A 103 -2.400 -8.195 -2.240 1.00 0.00 O ATOM 1138 CB HIS A 103 -5.366 -9.238 -1.533 1.00 0.00 C ATOM 1139 CG HIS A 103 -4.994 -10.592 -2.071 1.00 0.00 C ATOM 1140 ND1 HIS A 103 -4.748 -11.723 -1.331 1.00 0.00 N ATOM 1141 CD2 HIS A 103 -4.699 -10.870 -3.374 1.00 0.00 C ATOM 1142 CE1 HIS A 103 -4.284 -12.657 -2.177 1.00 0.00 C ATOM 1143 NE2 HIS A 103 -4.240 -12.187 -3.435 1.00 0.00 N ATOM 0 H HIS A 103 -4.494 -6.735 -1.675 1.00 0.00 H new ATOM 0 HA HIS A 103 -4.265 -8.972 0.283 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -6.246 -9.338 -0.898 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -5.644 -8.590 -2.364 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -4.802 -10.192 -4.209 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.986 -13.653 -1.885 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -3.933 -12.691 -4.267 1.00 0.00 H new ATOM 1152 N LEU A 104 -2.204 -9.887 -0.778 1.00 0.00 N ATOM 1153 CA LEU A 104 -0.856 -10.295 -1.126 1.00 0.00 C ATOM 1154 C LEU A 104 -0.937 -11.658 -1.800 1.00 0.00 C ATOM 1155 O LEU A 104 -1.454 -12.612 -1.216 1.00 0.00 O ATOM 1156 CB LEU A 104 0.025 -10.243 0.137 1.00 0.00 C ATOM 1157 CG LEU A 104 0.941 -11.446 0.393 1.00 0.00 C ATOM 1158 CD1 LEU A 104 1.913 -11.761 -0.734 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.788 -11.197 1.622 1.00 0.00 C ATOM 0 H LEU A 104 -2.624 -10.485 -0.067 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.380 -9.623 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.646 -9.349 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.628 -10.123 1.002 1.00 0.00 H new ATOM 0 HG LEU A 104 0.258 -12.289 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.518 -12.626 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.356 -11.980 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.563 -10.903 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.436 -12.056 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.398 -10.307 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.140 -11.049 2.486 1.00 0.00 H new ATOM 1171 N ASP A 105 -0.402 -11.745 -3.016 1.00 0.00 N ATOM 1172 CA ASP A 105 -0.216 -12.984 -3.762 1.00 0.00 C ATOM 1173 C ASP A 105 1.158 -13.527 -3.399 1.00 0.00 C ATOM 1174 O ASP A 105 2.163 -12.905 -3.732 1.00 0.00 O ATOM 1175 CB ASP A 105 -0.240 -12.712 -5.280 1.00 0.00 C ATOM 1176 CG ASP A 105 -1.521 -13.150 -5.971 1.00 0.00 C ATOM 1177 OD1 ASP A 105 -1.971 -12.405 -6.871 1.00 0.00 O ATOM 1178 OD2 ASP A 105 -2.038 -14.244 -5.657 1.00 0.00 O ATOM 0 H ASP A 105 -0.075 -10.924 -3.526 1.00 0.00 H new ATOM 0 HA ASP A 105 -1.013 -13.686 -3.517 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -0.096 -11.645 -5.449 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.603 -13.225 -5.743 1.00 0.00 H new ATOM 1184 N VAL A 106 1.236 -14.640 -2.671 1.00 0.00 N ATOM 1185 CA VAL A 106 2.509 -15.223 -2.218 1.00 0.00 C ATOM 1186 C VAL A 106 2.767 -16.524 -2.936 1.00 0.00 C ATOM 1187 O VAL A 106 3.838 -17.110 -2.749 1.00 0.00 O ATOM 1188 CB VAL A 106 2.508 -15.370 -0.688 1.00 0.00 C ATOM 1189 CG1 VAL A 106 2.203 -16.736 -0.081 1.00 0.00 C ATOM 1190 CG2 VAL A 106 3.808 -14.823 -0.072 1.00 0.00 C ATOM 0 H VAL A 106 0.416 -15.169 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 106 3.334 -14.556 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 106 1.637 -14.771 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.242 -16.668 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.208 -17.057 -0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.941 -17.460 -0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.776 -14.942 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.660 -15.373 -0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.911 -13.766 -0.318 1.00 0.00 H new ATOM 1200 N GLY A 107 1.826 -16.956 -3.779 1.00 0.00 N ATOM 1201 CA GLY A 107 2.191 -17.865 -4.819 1.00 0.00 C ATOM 1202 C GLY A 107 2.976 -17.031 -5.826 1.00 0.00 C ATOM 1203 O GLY A 107 4.202 -17.101 -5.862 1.00 0.00 O ATOM 0 H GLY A 107 0.842 -16.690 -3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 107 2.796 -18.684 -4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 107 1.309 -18.310 -5.280 1.00 0.00 H new ATOM 1207 N GLN A 108 2.276 -16.132 -6.524 1.00 0.00 N ATOM 1208 CA GLN A 108 2.824 -15.308 -7.600 1.00 0.00 C ATOM 1209 C GLN A 108 3.625 -14.078 -7.163 1.00 0.00 C ATOM 1210 O GLN A 108 4.044 -13.308 -8.021 1.00 0.00 O ATOM 1211 CB GLN A 108 1.699 -14.924 -8.571 1.00 0.00 C ATOM 1212 CG GLN A 108 1.108 -16.163 -9.261 1.00 0.00 C ATOM 1213 CD GLN A 108 0.569 -15.787 -10.630 1.00 0.00 C ATOM 1214 OE1 GLN A 108 1.330 -15.618 -11.576 1.00 0.00 O ATOM 1215 NE2 GLN A 108 -0.732 -15.608 -10.777 1.00 0.00 N ATOM 0 H GLN A 108 1.287 -15.954 -6.350 1.00 0.00 H new ATOM 0 HA GLN A 108 3.569 -15.931 -8.095 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.913 -14.397 -8.030 1.00 0.00 H new ATOM 0 HB3 GLN A 108 2.084 -14.236 -9.323 1.00 0.00 H new ATOM 0 HG2 GLN A 108 1.873 -16.933 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 108 0.310 -16.584 -8.650 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.359 -15.751 -9.985 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -1.109 -15.327 -11.682 1.00 0.00 H new ATOM 1224 N GLN A 109 3.892 -13.895 -5.868 1.00 0.00 N ATOM 1225 CA GLN A 109 4.791 -12.861 -5.353 1.00 0.00 C ATOM 1226 C GLN A 109 4.436 -11.456 -5.853 1.00 0.00 C ATOM 1227 O GLN A 109 5.252 -10.792 -6.484 1.00 0.00 O ATOM 1228 CB GLN A 109 6.246 -13.261 -5.670 1.00 0.00 C ATOM 1229 CG GLN A 109 6.710 -14.282 -4.647 1.00 0.00 C ATOM 1230 CD GLN A 109 8.118 -14.758 -4.957 1.00 0.00 C ATOM 1231 OE1 GLN A 109 8.370 -15.416 -5.961 1.00 0.00 O ATOM 1232 NE2 GLN A 109 9.057 -14.411 -4.098 1.00 0.00 N ATOM 0 H GLN A 109 3.481 -14.473 -5.134 1.00 0.00 H new ATOM 0 HA GLN A 109 4.671 -12.801 -4.271 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.312 -13.678 -6.675 1.00 0.00 H new ATOM 0 HB3 GLN A 109 6.892 -12.383 -5.646 1.00 0.00 H new ATOM 0 HG2 GLN A 109 6.682 -13.843 -3.650 1.00 0.00 H new ATOM 0 HG3 GLN A 109 6.028 -15.132 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.816 -13.863 -3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.025 -14.690 -4.260 1.00 0.00 H new ATOM 1241 N ARG A 110 3.241 -10.977 -5.514 1.00 0.00 N ATOM 1242 CA ARG A 110 2.686 -9.713 -6.000 1.00 0.00 C ATOM 1243 C ARG A 110 1.870 -9.106 -4.872 1.00 0.00 C ATOM 1244 O ARG A 110 1.587 -9.753 -3.855 1.00 0.00 O ATOM 1245 CB ARG A 110 1.902 -10.022 -7.296 1.00 0.00 C ATOM 1246 CG ARG A 110 1.299 -8.838 -8.071 1.00 0.00 C ATOM 1247 CD ARG A 110 0.517 -9.307 -9.306 1.00 0.00 C ATOM 1248 NE ARG A 110 -0.614 -10.195 -8.982 1.00 0.00 N ATOM 1249 CZ ARG A 110 -1.600 -10.565 -9.809 1.00 0.00 C ATOM 1250 NH1 ARG A 110 -1.686 -10.105 -11.047 1.00 0.00 N ATOM 1251 NH2 ARG A 110 -2.524 -11.402 -9.375 1.00 0.00 N ATOM 0 H ARG A 110 2.615 -11.469 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 110 3.434 -8.966 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.569 -10.559 -7.971 1.00 0.00 H new ATOM 0 HB3 ARG A 110 1.090 -10.704 -7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.638 -8.272 -7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.096 -8.162 -8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.142 -8.435 -9.842 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.196 -9.828 -9.980 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.649 -10.565 -8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.988 -9.448 -11.397 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.450 -10.407 -11.651 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.481 -11.759 -8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.281 -11.692 -9.994 1.00 0.00 H new ATOM 1265 N LEU A 111 1.513 -7.834 -5.006 1.00 0.00 N ATOM 1266 CA LEU A 111 0.814 -7.079 -3.977 1.00 0.00 C ATOM 1267 C LEU A 111 -0.346 -6.393 -4.660 1.00 0.00 C ATOM 1268 O LEU A 111 -0.131 -5.419 -5.360 1.00 0.00 O ATOM 1269 CB LEU A 111 1.785 -6.149 -3.227 1.00 0.00 C ATOM 1270 CG LEU A 111 1.393 -5.591 -1.859 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.475 -4.069 -1.835 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.091 -6.152 -1.309 1.00 0.00 C ATOM 0 H LEU A 111 1.705 -7.291 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 111 0.411 -7.713 -3.187 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.723 -6.690 -3.102 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.991 -5.300 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 111 2.139 -5.952 -1.152 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.190 -3.705 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.495 -3.756 -2.056 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.798 -3.656 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.115 -5.706 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.724 -5.920 -1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.178 -7.233 -1.201 1.00 0.00 H new ATOM 1284 N ASN A 112 -1.527 -6.997 -4.574 1.00 0.00 N ATOM 1285 CA ASN A 112 -2.735 -6.637 -5.298 1.00 0.00 C ATOM 1286 C ASN A 112 -3.525 -5.658 -4.440 1.00 0.00 C ATOM 1287 O ASN A 112 -4.387 -6.057 -3.644 1.00 0.00 O ATOM 1288 CB ASN A 112 -3.593 -7.880 -5.550 1.00 0.00 C ATOM 1289 CG ASN A 112 -3.039 -8.829 -6.592 1.00 0.00 C ATOM 1290 OD1 ASN A 112 -3.416 -8.744 -7.755 1.00 0.00 O ATOM 1291 ND2 ASN A 112 -2.175 -9.750 -6.205 1.00 0.00 N ATOM 0 H ASN A 112 -1.672 -7.798 -3.960 1.00 0.00 H new ATOM 0 HA ASN A 112 -2.470 -6.192 -6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.710 -8.421 -4.611 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -4.588 -7.561 -5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.802 -10.416 -6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.880 -9.795 -5.230 1.00 0.00 H new ATOM 1298 N LEU A 113 -3.206 -4.378 -4.567 1.00 0.00 N ATOM 1299 CA LEU A 113 -3.980 -3.326 -3.931 1.00 0.00 C ATOM 1300 C LEU A 113 -5.217 -3.031 -4.777 1.00 0.00 C ATOM 1301 O LEU A 113 -5.250 -3.306 -5.979 1.00 0.00 O ATOM 1302 CB LEU A 113 -3.111 -2.073 -3.755 1.00 0.00 C ATOM 1303 CG LEU A 113 -1.778 -2.327 -3.029 1.00 0.00 C ATOM 1304 CD1 LEU A 113 -1.056 -0.991 -2.844 1.00 0.00 C ATOM 1305 CD2 LEU A 113 -1.980 -3.024 -1.678 1.00 0.00 C ATOM 0 H LEU A 113 -2.410 -4.043 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 113 -4.306 -3.648 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.902 -1.649 -4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.678 -1.326 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.173 -2.998 -3.639 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.109 -1.157 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.866 -0.542 -3.819 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.678 -0.320 -2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.012 -3.183 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.602 -2.400 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.469 -3.985 -1.834 1.00 0.00 H new ATOM 1317 N THR A 114 -6.215 -2.412 -4.162 1.00 0.00 N ATOM 1318 CA THR A 114 -7.477 -2.077 -4.802 1.00 0.00 C ATOM 1319 C THR A 114 -7.940 -0.752 -4.210 1.00 0.00 C ATOM 1320 O THR A 114 -7.814 -0.591 -2.997 1.00 0.00 O ATOM 1321 CB THR A 114 -8.500 -3.184 -4.492 1.00 0.00 C ATOM 1322 OG1 THR A 114 -7.929 -4.480 -4.569 1.00 0.00 O ATOM 1323 CG2 THR A 114 -9.686 -3.105 -5.442 1.00 0.00 C ATOM 0 H THR A 114 -6.168 -2.123 -3.185 1.00 0.00 H new ATOM 0 HA THR A 114 -7.371 -1.993 -5.884 1.00 0.00 H new ATOM 0 HB THR A 114 -8.835 -3.018 -3.468 1.00 0.00 H new ATOM 0 HG1 THR A 114 -8.084 -4.956 -3.727 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.396 -3.897 -5.204 1.00 0.00 H new ATOM 0 HG22 THR A 114 -10.174 -2.136 -5.335 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.339 -3.225 -6.468 1.00 0.00 H new ATOM 1331 N ILE A 115 -8.450 0.190 -5.013 1.00 0.00 N ATOM 1332 CA ILE A 115 -9.095 1.422 -4.536 1.00 0.00 C ATOM 1333 C ILE A 115 -10.130 1.842 -5.599 1.00 0.00 C ATOM 1334 O ILE A 115 -9.762 1.857 -6.775 1.00 0.00 O ATOM 1335 CB ILE A 115 -8.064 2.565 -4.307 1.00 0.00 C ATOM 1336 CG1 ILE A 115 -6.853 2.171 -3.434 1.00 0.00 C ATOM 1337 CG2 ILE A 115 -8.735 3.815 -3.703 1.00 0.00 C ATOM 1338 CD1 ILE A 115 -5.784 3.254 -3.301 1.00 0.00 C ATOM 0 H ILE A 115 -8.426 0.117 -6.030 1.00 0.00 H new ATOM 0 HA ILE A 115 -9.572 1.235 -3.574 1.00 0.00 H new ATOM 0 HB ILE A 115 -7.679 2.785 -5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -7.210 1.908 -2.438 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -6.394 1.276 -3.855 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -7.987 4.594 -3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -9.507 4.177 -4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -9.185 3.559 -2.744 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.973 2.889 -2.671 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.393 3.503 -4.288 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -6.222 4.144 -2.849 1.00 0.00 H new ATOM 1350 N PRO A 116 -11.366 2.236 -5.244 1.00 0.00 N ATOM 1351 CA PRO A 116 -12.314 2.810 -6.199 1.00 0.00 C ATOM 1352 C PRO A 116 -11.814 4.125 -6.811 1.00 0.00 C ATOM 1353 O PRO A 116 -10.957 4.804 -6.241 1.00 0.00 O ATOM 1354 CB PRO A 116 -13.591 3.085 -5.404 1.00 0.00 C ATOM 1355 CG PRO A 116 -13.474 2.205 -4.168 1.00 0.00 C ATOM 1356 CD PRO A 116 -11.972 2.098 -3.931 1.00 0.00 C ATOM 0 HA PRO A 116 -12.463 2.119 -7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -13.670 4.138 -5.134 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -14.480 2.837 -5.984 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -13.982 2.649 -3.312 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -13.923 1.225 -4.332 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -11.624 2.878 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -11.713 1.142 -3.477 1.00 0.00 H new ATOM 1364 N GLN A 117 -12.438 4.559 -7.911 1.00 0.00 N ATOM 1365 CA GLN A 117 -12.184 5.837 -8.569 1.00 0.00 C ATOM 1366 C GLN A 117 -12.429 7.043 -7.665 1.00 0.00 C ATOM 1367 O GLN A 117 -11.835 8.091 -7.901 1.00 0.00 O ATOM 1368 CB GLN A 117 -13.091 5.972 -9.809 1.00 0.00 C ATOM 1369 CG GLN A 117 -12.539 5.315 -11.075 1.00 0.00 C ATOM 1370 CD GLN A 117 -11.381 6.122 -11.655 1.00 0.00 C ATOM 1371 OE1 GLN A 117 -11.571 7.037 -12.458 1.00 0.00 O ATOM 1372 NE2 GLN A 117 -10.164 5.812 -11.251 1.00 0.00 N ATOM 0 H GLN A 117 -13.157 4.009 -8.381 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.129 5.835 -8.842 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.063 5.534 -9.582 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.258 7.031 -10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -12.202 4.304 -10.846 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -13.332 5.227 -11.818 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -10.026 5.051 -10.586 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -9.361 6.333 -11.604 1.00 0.00 H new ATOM 1381 N ALA A 118 -13.320 6.941 -6.677 1.00 0.00 N ATOM 1382 CA ALA A 118 -13.773 8.091 -5.897 1.00 0.00 C ATOM 1383 C ALA A 118 -12.871 8.401 -4.699 1.00 0.00 C ATOM 1384 O ALA A 118 -13.193 9.297 -3.917 1.00 0.00 O ATOM 1385 CB ALA A 118 -15.243 7.910 -5.505 1.00 0.00 C ATOM 0 H ALA A 118 -13.747 6.058 -6.396 1.00 0.00 H new ATOM 0 HA ALA A 118 -13.697 8.974 -6.531 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -15.573 8.771 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -15.852 7.825 -6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -15.351 7.005 -4.907 1.00 0.00 H new ATOM 1391 N PHE A 119 -11.740 7.708 -4.540 1.00 0.00 N ATOM 1392 CA PHE A 119 -10.685 8.141 -3.633 1.00 0.00 C ATOM 1393 C PHE A 119 -9.340 8.122 -4.365 1.00 0.00 C ATOM 1394 O PHE A 119 -8.344 7.723 -3.784 1.00 0.00 O ATOM 1395 CB PHE A 119 -10.634 7.299 -2.342 1.00 0.00 C ATOM 1396 CG PHE A 119 -11.913 7.112 -1.543 1.00 0.00 C ATOM 1397 CD1 PHE A 119 -12.267 7.959 -0.475 1.00 0.00 C ATOM 1398 CD2 PHE A 119 -12.684 5.969 -1.771 1.00 0.00 C ATOM 1399 CE1 PHE A 119 -13.383 7.678 0.335 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -13.766 5.655 -0.937 1.00 0.00 C ATOM 1401 CZ PHE A 119 -14.138 6.519 0.103 1.00 0.00 C ATOM 0 H PHE A 119 -11.535 6.839 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 119 -10.908 9.161 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -10.262 6.309 -2.607 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -9.894 7.751 -1.681 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -11.673 8.838 -0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -12.443 5.320 -2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -13.657 8.353 1.133 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -14.318 4.740 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 119 -14.996 6.294 0.719 1.00 0.00 H new ATOM 1411 N MET A 120 -9.236 8.561 -5.613 1.00 0.00 N ATOM 1412 CA MET A 120 -7.976 8.569 -6.356 1.00 0.00 C ATOM 1413 C MET A 120 -7.529 9.999 -6.690 1.00 0.00 C ATOM 1414 O MET A 120 -8.333 10.808 -7.152 1.00 0.00 O ATOM 1415 CB MET A 120 -8.180 7.851 -7.685 1.00 0.00 C ATOM 1416 CG MET A 120 -8.334 6.345 -7.557 1.00 0.00 C ATOM 1417 SD MET A 120 -7.790 5.503 -9.054 1.00 0.00 S ATOM 1418 CE MET A 120 -6.011 5.358 -8.707 1.00 0.00 C ATOM 0 H MET A 120 -10.027 8.925 -6.144 1.00 0.00 H new ATOM 0 HA MET A 120 -7.224 8.083 -5.735 1.00 0.00 H new ATOM 0 HB2 MET A 120 -9.067 8.256 -8.173 1.00 0.00 H new ATOM 0 HB3 MET A 120 -7.332 8.065 -8.336 1.00 0.00 H new ATOM 0 HG2 MET A 120 -7.754 5.989 -6.706 1.00 0.00 H new ATOM 0 HG3 MET A 120 -9.377 6.099 -7.357 1.00 0.00 H new ATOM 0 HE1 MET A 120 -5.554 4.677 -9.426 1.00 0.00 H new ATOM 0 HE2 MET A 120 -5.543 6.339 -8.789 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.867 4.971 -7.698 1.00 0.00 H new ATOM 1428 N SER A 121 -6.256 10.325 -6.466 1.00 0.00 N ATOM 1429 CA SER A 121 -5.588 11.580 -6.813 1.00 0.00 C ATOM 1430 C SER A 121 -4.082 11.359 -6.627 1.00 0.00 C ATOM 1431 O SER A 121 -3.701 10.512 -5.820 1.00 0.00 O ATOM 1432 CB SER A 121 -6.051 12.686 -5.864 1.00 0.00 C ATOM 1433 OG SER A 121 -6.517 13.826 -6.549 1.00 0.00 O ATOM 0 H SER A 121 -5.620 9.674 -6.005 1.00 0.00 H new ATOM 0 HA SER A 121 -5.821 11.871 -7.837 1.00 0.00 H new ATOM 0 HB2 SER A 121 -6.845 12.302 -5.223 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.225 12.970 -5.212 1.00 0.00 H new ATOM 0 HG SER A 121 -7.084 14.357 -5.952 1.00 0.00 H new ATOM 1439 N ASN A 122 -3.217 12.161 -7.257 1.00 0.00 N ATOM 1440 CA ASN A 122 -1.831 12.276 -6.796 1.00 0.00 C ATOM 1441 C ASN A 122 -1.786 13.056 -5.485 1.00 0.00 C ATOM 1442 O ASN A 122 -1.404 12.518 -4.456 1.00 0.00 O ATOM 1443 CB ASN A 122 -0.958 12.987 -7.832 1.00 0.00 C ATOM 1444 CG ASN A 122 0.449 13.233 -7.299 1.00 0.00 C ATOM 1445 OD1 ASN A 122 0.809 14.381 -7.049 1.00 0.00 O ATOM 1446 ND2 ASN A 122 1.250 12.202 -7.092 1.00 0.00 N ATOM 0 H ASN A 122 -3.446 12.730 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.443 11.269 -6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -0.905 12.386 -8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -1.416 13.937 -8.106 1.00 0.00 H new ATOM 0 HD21 ASN A 122 2.187 12.351 -6.718 1.00 0.00 H new ATOM 0 HD22 ASN A 122 0.931 11.257 -7.306 1.00 0.00 H new ATOM 1453 N ARG A 123 -2.181 14.338 -5.541 1.00 0.00 N ATOM 1454 CA ARG A 123 -1.995 15.400 -4.547 1.00 0.00 C ATOM 1455 C ARG A 123 -1.809 14.904 -3.114 1.00 0.00 C ATOM 1456 O ARG A 123 -2.788 14.810 -2.368 1.00 0.00 O ATOM 1457 CB ARG A 123 -3.145 16.425 -4.642 1.00 0.00 C ATOM 1458 CG ARG A 123 -4.540 15.823 -4.899 1.00 0.00 C ATOM 1459 CD ARG A 123 -5.672 16.841 -4.738 1.00 0.00 C ATOM 1460 NE ARG A 123 -5.888 17.254 -3.339 1.00 0.00 N ATOM 1461 CZ ARG A 123 -6.744 18.199 -2.933 1.00 0.00 C ATOM 1462 NH1 ARG A 123 -7.388 18.955 -3.816 1.00 0.00 N ATOM 1463 NH2 ARG A 123 -6.944 18.391 -1.633 1.00 0.00 N ATOM 0 H ARG A 123 -2.684 14.686 -6.358 1.00 0.00 H new ATOM 0 HA ARG A 123 -1.051 15.884 -4.797 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -3.179 16.996 -3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -2.918 17.129 -5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -4.571 15.410 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -4.704 14.994 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -5.448 17.722 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -6.595 16.414 -5.130 1.00 0.00 H new ATOM 0 HE ARG A 123 -5.340 16.780 -2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -7.232 18.818 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -8.038 19.672 -3.495 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -6.446 17.819 -0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -7.595 19.110 -1.318 1.00 0.00 H new ATOM 1477 N ALA A 124 -0.579 14.645 -2.678 1.00 0.00 N ATOM 1478 CA ALA A 124 -0.306 14.194 -1.331 1.00 0.00 C ATOM 1479 C ALA A 124 0.113 15.386 -0.476 1.00 0.00 C ATOM 1480 O ALA A 124 1.039 16.131 -0.811 1.00 0.00 O ATOM 1481 CB ALA A 124 0.745 13.089 -1.361 1.00 0.00 C ATOM 0 H ALA A 124 0.255 14.745 -3.257 1.00 0.00 H new ATOM 0 HA ALA A 124 -1.202 13.768 -0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 124 0.948 12.752 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.376 12.252 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 124 1.663 13.472 -1.806 1.00 0.00 H new ATOM 1487 N ARG A 125 -0.597 15.573 0.633 1.00 0.00 N ATOM 1488 CA ARG A 125 -0.170 16.316 1.812 1.00 0.00 C ATOM 1489 C ARG A 125 1.061 15.591 2.371 1.00 0.00 C ATOM 1490 O ARG A 125 0.915 14.496 2.919 1.00 0.00 O ATOM 1491 CB ARG A 125 -1.338 16.302 2.811 1.00 0.00 C ATOM 1492 CG ARG A 125 -2.465 17.303 2.490 1.00 0.00 C ATOM 1493 CD ARG A 125 -2.366 18.603 3.293 1.00 0.00 C ATOM 1494 NE ARG A 125 -1.541 19.645 2.664 1.00 0.00 N ATOM 1495 CZ ARG A 125 -0.916 20.627 3.332 1.00 0.00 C ATOM 1496 NH1 ARG A 125 -0.881 20.635 4.669 1.00 0.00 N ATOM 1497 NH2 ARG A 125 -0.318 21.599 2.648 1.00 0.00 N ATOM 0 H ARG A 125 -1.536 15.189 0.738 1.00 0.00 H new ATOM 0 HA ARG A 125 0.092 17.352 1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.760 15.297 2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.951 16.517 3.807 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.441 17.538 1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.428 16.833 2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -3.370 18.997 3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -1.956 18.377 4.277 1.00 0.00 H new ATOM 0 HE ARG A 125 -1.436 19.620 1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -1.333 19.888 5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -0.402 21.388 5.162 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -0.338 21.592 1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 125 0.161 22.351 3.143 1.00 0.00 H new ATOM 1511 N GLY A 126 2.252 16.152 2.187 1.00 0.00 N ATOM 1512 CA GLY A 126 3.520 15.448 2.312 1.00 0.00 C ATOM 1513 C GLY A 126 3.750 14.564 1.086 1.00 0.00 C ATOM 1514 O GLY A 126 2.818 13.912 0.627 1.00 0.00 O ATOM 0 H GLY A 126 2.363 17.135 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 126 4.335 16.165 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.519 14.838 3.215 1.00 0.00 H new ATOM 1518 N TYR A 127 4.980 14.514 0.571 1.00 0.00 N ATOM 1519 CA TYR A 127 5.396 13.623 -0.510 1.00 0.00 C ATOM 1520 C TYR A 127 6.733 13.043 -0.101 1.00 0.00 C ATOM 1521 O TYR A 127 7.661 13.806 0.180 1.00 0.00 O ATOM 1522 CB TYR A 127 5.497 14.370 -1.868 1.00 0.00 C ATOM 1523 CG TYR A 127 6.733 14.089 -2.733 1.00 0.00 C ATOM 1524 CD1 TYR A 127 7.054 12.778 -3.127 1.00 0.00 C ATOM 1525 CD2 TYR A 127 7.591 15.138 -3.130 1.00 0.00 C ATOM 1526 CE1 TYR A 127 8.209 12.508 -3.880 1.00 0.00 C ATOM 1527 CE2 TYR A 127 8.741 14.881 -3.906 1.00 0.00 C ATOM 1528 CZ TYR A 127 9.053 13.556 -4.291 1.00 0.00 C ATOM 1529 OH TYR A 127 10.153 13.272 -5.044 1.00 0.00 O ATOM 0 H TYR A 127 5.736 15.111 0.906 1.00 0.00 H new ATOM 0 HA TYR A 127 4.657 12.836 -0.661 1.00 0.00 H new ATOM 0 HB2 TYR A 127 4.611 14.125 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 127 5.461 15.441 -1.668 1.00 0.00 H new ATOM 0 HD1 TYR A 127 6.401 11.965 -2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 127 7.364 16.152 -2.835 1.00 0.00 H new ATOM 0 HE1 TYR A 127 8.451 11.489 -4.145 1.00 0.00 H new ATOM 0 HE2 TYR A 127 9.383 15.696 -4.206 1.00 0.00 H new ATOM 0 HH TYR A 127 10.633 14.102 -5.248 1.00 0.00 H new ATOM 1539 N ILE A 128 6.843 11.715 -0.115 1.00 0.00 N ATOM 1540 CA ILE A 128 8.090 11.005 0.083 1.00 0.00 C ATOM 1541 C ILE A 128 8.219 9.957 -1.028 1.00 0.00 C ATOM 1542 O ILE A 128 7.273 9.210 -1.282 1.00 0.00 O ATOM 1543 CB ILE A 128 8.145 10.427 1.504 1.00 0.00 C ATOM 1544 CG1 ILE A 128 8.179 11.572 2.540 1.00 0.00 C ATOM 1545 CG2 ILE A 128 9.283 9.410 1.706 1.00 0.00 C ATOM 1546 CD1 ILE A 128 9.458 12.425 2.541 1.00 0.00 C ATOM 0 H ILE A 128 6.046 11.097 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 128 8.952 11.668 0.008 1.00 0.00 H new ATOM 0 HB ILE A 128 7.232 9.852 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 128 7.326 12.227 2.360 1.00 0.00 H new ATOM 0 HG13 ILE A 128 8.048 11.144 3.534 1.00 0.00 H new ATOM 0 HG21 ILE A 128 9.264 9.042 2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 128 9.151 8.575 1.018 1.00 0.00 H new ATOM 0 HG23 ILE A 128 10.241 9.892 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 128 9.379 13.199 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 128 10.318 11.791 2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 128 9.585 12.891 1.564 1.00 0.00 H new ATOM 1558 N PRO A 129 9.364 9.908 -1.723 1.00 0.00 N ATOM 1559 CA PRO A 129 9.611 8.960 -2.795 1.00 0.00 C ATOM 1560 C PRO A 129 9.875 7.547 -2.245 1.00 0.00 C ATOM 1561 O PRO A 129 10.249 7.398 -1.076 1.00 0.00 O ATOM 1562 CB PRO A 129 10.816 9.537 -3.544 1.00 0.00 C ATOM 1563 CG PRO A 129 11.565 10.379 -2.517 1.00 0.00 C ATOM 1564 CD PRO A 129 10.505 10.772 -1.501 1.00 0.00 C ATOM 0 HA PRO A 129 8.753 8.839 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 129 11.450 8.743 -3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.498 10.143 -4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 129 12.371 9.812 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 129 12.018 11.257 -2.978 1.00 0.00 H new ATOM 0 HD2 PRO A 129 10.883 10.658 -0.485 1.00 0.00 H new ATOM 0 HD3 PRO A 129 10.225 11.819 -1.621 1.00 0.00 H new ATOM 1572 N PRO A 130 9.816 6.505 -3.095 1.00 0.00 N ATOM 1573 CA PRO A 130 10.167 5.134 -2.716 1.00 0.00 C ATOM 1574 C PRO A 130 11.660 4.963 -2.383 1.00 0.00 C ATOM 1575 O PRO A 130 12.089 3.859 -2.055 1.00 0.00 O ATOM 1576 CB PRO A 130 9.749 4.266 -3.906 1.00 0.00 C ATOM 1577 CG PRO A 130 9.874 5.213 -5.096 1.00 0.00 C ATOM 1578 CD PRO A 130 9.448 6.555 -4.506 1.00 0.00 C ATOM 0 HA PRO A 130 9.655 4.845 -1.798 1.00 0.00 H new ATOM 0 HB2 PRO A 130 10.396 3.396 -4.015 1.00 0.00 H new ATOM 0 HB3 PRO A 130 8.731 3.894 -3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 130 10.893 5.246 -5.482 1.00 0.00 H new ATOM 0 HG3 PRO A 130 9.230 4.912 -5.922 1.00 0.00 H new ATOM 0 HD2 PRO A 130 9.949 7.381 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 130 8.376 6.712 -4.625 1.00 0.00 H new ATOM 1586 N GLU A 131 12.437 6.045 -2.459 1.00 0.00 N ATOM 1587 CA GLU A 131 13.873 6.137 -2.255 1.00 0.00 C ATOM 1588 C GLU A 131 14.199 6.956 -0.988 1.00 0.00 C ATOM 1589 O GLU A 131 15.341 7.365 -0.785 1.00 0.00 O ATOM 1590 CB GLU A 131 14.439 6.757 -3.545 1.00 0.00 C ATOM 1591 CG GLU A 131 15.969 6.745 -3.617 1.00 0.00 C ATOM 1592 CD GLU A 131 16.505 7.055 -5.010 1.00 0.00 C ATOM 1593 OE1 GLU A 131 16.779 6.103 -5.781 1.00 0.00 O ATOM 1594 OE2 GLU A 131 16.722 8.251 -5.321 1.00 0.00 O ATOM 0 H GLU A 131 12.037 6.956 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 131 14.331 5.164 -2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 131 14.040 6.216 -4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 131 14.089 7.786 -3.627 1.00 0.00 H new ATOM 0 HG2 GLU A 131 16.366 7.475 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 131 16.334 5.767 -3.303 1.00 0.00 H new ATOM 1602 N LEU A 132 13.206 7.253 -0.141 1.00 0.00 N ATOM 1603 CA LEU A 132 13.436 7.883 1.163 1.00 0.00 C ATOM 1604 C LEU A 132 12.640 7.240 2.284 1.00 0.00 C ATOM 1605 O LEU A 132 13.046 7.346 3.436 1.00 0.00 O ATOM 1606 CB LEU A 132 13.105 9.377 1.117 1.00 0.00 C ATOM 1607 CG LEU A 132 14.198 10.264 0.509 1.00 0.00 C ATOM 1608 CD1 LEU A 132 13.710 11.721 0.527 1.00 0.00 C ATOM 1609 CD2 LEU A 132 15.499 10.181 1.312 1.00 0.00 C ATOM 0 H LEU A 132 12.224 7.064 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 132 14.495 7.738 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 132 12.187 9.513 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 132 12.902 9.720 2.131 1.00 0.00 H new ATOM 0 HG LEU A 132 14.395 9.920 -0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 132 14.476 12.367 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 132 12.794 11.805 -0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 132 13.513 12.026 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 132 16.252 10.822 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 132 15.317 10.511 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 132 15.856 9.151 1.321 1.00 0.00 H new ATOM 1621 N TRP A 133 11.567 6.516 1.976 1.00 0.00 N ATOM 1622 CA TRP A 133 10.907 5.637 2.941 1.00 0.00 C ATOM 1623 C TRP A 133 11.739 4.390 3.275 1.00 0.00 C ATOM 1624 O TRP A 133 11.202 3.504 3.936 1.00 0.00 O ATOM 1625 CB TRP A 133 9.518 5.302 2.408 1.00 0.00 C ATOM 1626 CG TRP A 133 9.380 4.112 1.513 1.00 0.00 C ATOM 1627 CD1 TRP A 133 10.199 3.706 0.519 1.00 0.00 C ATOM 1628 CD2 TRP A 133 8.332 3.119 1.592 1.00 0.00 C ATOM 1629 NE1 TRP A 133 9.696 2.550 -0.050 1.00 0.00 N ATOM 1630 CE2 TRP A 133 8.531 2.144 0.576 1.00 0.00 C ATOM 1631 CE3 TRP A 133 7.200 3.009 2.413 1.00 0.00 C ATOM 1632 CZ2 TRP A 133 7.634 1.081 0.393 1.00 0.00 C ATOM 1633 CZ3 TRP A 133 6.277 1.960 2.223 1.00 0.00 C ATOM 1634 CH2 TRP A 133 6.503 0.991 1.223 1.00 0.00 C ATOM 0 H TRP A 133 11.131 6.521 1.054 1.00 0.00 H new ATOM 0 HA TRP A 133 10.808 6.156 3.895 1.00 0.00 H new ATOM 0 HB2 TRP A 133 8.858 5.156 3.263 1.00 0.00 H new ATOM 0 HB3 TRP A 133 9.149 6.173 1.866 1.00 0.00 H new ATOM 0 HD1 TRP A 133 11.107 4.207 0.215 1.00 0.00 H new ATOM 0 HE1 TRP A 133 10.129 2.059 -0.832 1.00 0.00 H new ATOM 0 HE3 TRP A 133 7.034 3.733 3.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.810 0.342 -0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 5.396 1.898 2.844 1.00 0.00 H new ATOM 0 HH2 TRP A 133 5.805 0.177 1.095 1.00 0.00 H new ATOM 1645 N ASP A 134 12.982 4.308 2.770 1.00 0.00 N ATOM 1646 CA ASP A 134 13.767 3.113 2.467 1.00 0.00 C ATOM 1647 C ASP A 134 13.620 2.028 3.538 1.00 0.00 C ATOM 1648 O ASP A 134 14.294 2.072 4.570 1.00 0.00 O ATOM 1649 CB ASP A 134 15.224 3.429 2.084 1.00 0.00 C ATOM 1650 CG ASP A 134 16.083 4.116 3.149 1.00 0.00 C ATOM 1651 OD1 ASP A 134 16.945 3.457 3.779 1.00 0.00 O ATOM 1652 OD2 ASP A 134 16.024 5.363 3.239 1.00 0.00 O ATOM 0 H ASP A 134 13.503 5.155 2.546 1.00 0.00 H new ATOM 0 HA ASP A 134 13.336 2.681 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 134 15.712 2.495 1.804 1.00 0.00 H new ATOM 0 HB3 ASP A 134 15.213 4.062 1.196 1.00 0.00 H new ATOM 1658 N PRO A 135 12.684 1.078 3.336 1.00 0.00 N ATOM 1659 CA PRO A 135 12.201 0.259 4.429 1.00 0.00 C ATOM 1660 C PRO A 135 13.203 -0.868 4.706 1.00 0.00 C ATOM 1661 O PRO A 135 13.935 -0.826 5.695 1.00 0.00 O ATOM 1662 CB PRO A 135 10.816 -0.227 3.992 1.00 0.00 C ATOM 1663 CG PRO A 135 10.871 -0.213 2.468 1.00 0.00 C ATOM 1664 CD PRO A 135 11.791 0.961 2.191 1.00 0.00 C ATOM 0 HA PRO A 135 12.110 0.795 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 135 10.608 -1.227 4.373 1.00 0.00 H new ATOM 0 HB3 PRO A 135 10.029 0.427 4.367 1.00 0.00 H new ATOM 0 HG2 PRO A 135 11.268 -1.145 2.066 1.00 0.00 H new ATOM 0 HG3 PRO A 135 9.885 -0.070 2.026 1.00 0.00 H new ATOM 0 HD2 PRO A 135 12.358 0.799 1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 135 11.217 1.877 2.054 1.00 0.00 H new ATOM 1672 N GLY A 136 13.291 -1.861 3.810 1.00 0.00 N ATOM 1673 CA GLY A 136 14.221 -2.975 3.914 1.00 0.00 C ATOM 1674 C GLY A 136 15.041 -3.121 2.643 1.00 0.00 C ATOM 1675 O GLY A 136 15.207 -4.239 2.162 1.00 0.00 O ATOM 0 H GLY A 136 12.702 -1.906 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 136 14.886 -2.820 4.764 1.00 0.00 H new ATOM 0 HA3 GLY A 136 13.670 -3.896 4.104 1.00 0.00 H new ATOM 1679 N ILE A 137 15.500 -2.011 2.052 1.00 0.00 N ATOM 1680 CA ILE A 137 16.150 -2.031 0.742 1.00 0.00 C ATOM 1681 C ILE A 137 17.580 -2.558 0.888 1.00 0.00 C ATOM 1682 O ILE A 137 18.549 -1.795 0.912 1.00 0.00 O ATOM 1683 CB ILE A 137 16.082 -0.670 0.007 1.00 0.00 C ATOM 1684 CG1 ILE A 137 14.687 -0.025 0.166 1.00 0.00 C ATOM 1685 CG2 ILE A 137 16.446 -0.938 -1.469 1.00 0.00 C ATOM 1686 CD1 ILE A 137 14.427 1.191 -0.730 1.00 0.00 C ATOM 0 H ILE A 137 15.431 -1.082 2.467 1.00 0.00 H new ATOM 0 HA ILE A 137 15.595 -2.714 0.099 1.00 0.00 H new ATOM 0 HB ILE A 137 16.784 0.046 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A 137 13.929 -0.780 -0.043 1.00 0.00 H new ATOM 0 HG13 ILE A 137 14.559 0.275 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 137 16.411 -0.003 -2.028 1.00 0.00 H new ATOM 0 HG22 ILE A 137 17.451 -1.357 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 137 15.734 -1.643 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 137 13.423 1.571 -0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 137 15.157 1.970 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 137 14.517 0.898 -1.776 1.00 0.00 H new