USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 810 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 38 SER OG : rot 35:sc= 0.536 USER MOD Set 1.2: A 93 ASN : amide:sc= -1.09! C(o=-0.55!,f=-1.3!) USER MOD Set 2.1: A 86 GLN : amide:sc= -2.8! C(o=-2.8!,f=-4.1!) USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0.0075 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 75:sc= 0.796 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 122:sc= -2.41 USER MOD Single : A 20 SER OG : rot 160:sc= -0.165 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.29 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.0867 (180deg=-0.467) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.48 K(o=-1.5,f=-0.075) USER MOD Single : A 63 GLN : amide:sc= -0.587 K(o=-0.59,f=-0.051) USER MOD Single : A 64 SER OG : rot 180:sc= -0.34 USER MOD Single : A 65 ASN : amide:sc= -0.223 K(o=-0.22,f=-3.7!) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0043 USER MOD Single : A 70 THR OG1 : rot -170:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 34:sc= -3.78! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -3.79! C(o=-3.8!,f=-6.4!) USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0.00156 (180deg=0.00099) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc=0.000436 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -130:sc= -0.966 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0.369 K(o=0.37,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -10.928 -15.248 1.721 1.00 0.00 N ATOM 67 CA LEU A 8 -10.699 -13.816 1.570 1.00 0.00 C ATOM 68 C LEU A 8 -9.641 -13.327 2.555 1.00 0.00 C ATOM 69 O LEU A 8 -9.566 -13.779 3.698 1.00 0.00 O ATOM 70 CB LEU A 8 -12.003 -13.046 1.782 1.00 0.00 C ATOM 71 CG LEU A 8 -13.170 -13.439 0.875 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.498 -13.149 1.557 1.00 0.00 C ATOM 73 CD2 LEU A 8 -13.080 -12.708 -0.456 1.00 0.00 C ATOM 0 HA LEU A 8 -10.338 -13.636 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.314 -13.177 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.801 -11.984 1.641 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.111 -14.510 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.316 -13.435 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.563 -13.719 2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.567 -12.084 1.780 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.918 -13.000 -1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.113 -11.632 -0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.144 -12.968 -0.951 1.00 0.00 H new ATOM 85 N PRO A 9 -8.805 -12.380 2.104 1.00 0.00 N ATOM 86 CA PRO A 9 -7.738 -11.808 2.931 1.00 0.00 C ATOM 87 C PRO A 9 -8.282 -10.931 4.053 1.00 0.00 C ATOM 88 O PRO A 9 -9.452 -10.550 4.043 1.00 0.00 O ATOM 89 CB PRO A 9 -6.933 -10.966 1.938 1.00 0.00 C ATOM 90 CG PRO A 9 -7.901 -10.623 0.859 1.00 0.00 C ATOM 91 CD PRO A 9 -8.836 -11.796 0.753 1.00 0.00 C ATOM 0 HA PRO A 9 -7.152 -12.579 3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.534 -10.069 2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.083 -11.523 1.545 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.446 -9.710 1.099 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.386 -10.448 -0.086 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.842 -11.484 0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.502 -12.509 -0.001 1.00 0.00 H new ATOM 99 N GLN A 10 -7.425 -10.614 5.019 1.00 0.00 N ATOM 100 CA GLN A 10 -7.821 -9.782 6.149 1.00 0.00 C ATOM 101 C GLN A 10 -6.676 -8.874 6.585 1.00 0.00 C ATOM 102 O GLN A 10 -5.522 -9.299 6.644 1.00 0.00 O ATOM 103 CB GLN A 10 -8.269 -10.657 7.321 1.00 0.00 C ATOM 104 CG GLN A 10 -9.574 -11.393 7.067 1.00 0.00 C ATOM 105 CD GLN A 10 -10.252 -11.839 8.348 1.00 0.00 C ATOM 106 OE1 GLN A 10 -10.063 -12.966 8.805 1.00 0.00 O ATOM 107 NE2 GLN A 10 -11.048 -10.953 8.935 1.00 0.00 N ATOM 0 H GLN A 10 -6.452 -10.921 5.041 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.655 -9.156 5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.488 -11.385 7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.380 -10.033 8.208 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.250 -10.744 6.510 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.380 -12.264 6.441 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.176 -10.030 8.521 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -11.531 -11.196 9.800 1.00 0.00 H new ATOM 116 N VAL A 11 -7.003 -7.622 6.889 1.00 0.00 N ATOM 117 CA VAL A 11 -6.001 -6.654 7.320 1.00 0.00 C ATOM 118 C VAL A 11 -6.333 -6.097 8.699 1.00 0.00 C ATOM 119 O VAL A 11 -7.093 -5.138 8.825 1.00 0.00 O ATOM 120 CB VAL A 11 -5.883 -5.487 6.322 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.869 -4.465 6.813 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.506 -6.003 4.941 1.00 0.00 C ATOM 0 H VAL A 11 -7.953 -7.254 6.845 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.049 -7.182 7.364 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.853 -4.995 6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.799 -3.648 6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.186 -4.073 7.779 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.894 -4.941 6.917 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.427 -5.165 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.548 -6.521 4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.272 -6.694 4.589 1.00 0.00 H new ATOM 132 N GLU A 12 -5.758 -6.707 9.732 1.00 0.00 N ATOM 133 CA GLU A 12 -5.994 -6.271 11.103 1.00 0.00 C ATOM 134 C GLU A 12 -5.461 -4.859 11.325 1.00 0.00 C ATOM 135 O GLU A 12 -6.220 -3.936 11.616 1.00 0.00 O ATOM 136 CB GLU A 12 -5.334 -7.237 12.089 1.00 0.00 C ATOM 137 CG GLU A 12 -5.938 -7.192 13.483 1.00 0.00 C ATOM 138 CD GLU A 12 -5.331 -8.221 14.416 1.00 0.00 C ATOM 139 OE1 GLU A 12 -4.087 -8.311 14.472 1.00 0.00 O ATOM 140 OE2 GLU A 12 -6.101 -8.936 15.091 1.00 0.00 O ATOM 0 H GLU A 12 -5.127 -7.503 9.645 1.00 0.00 H new ATOM 0 HA GLU A 12 -7.070 -6.265 11.275 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.415 -8.252 11.700 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -4.271 -7.005 12.155 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.796 -6.197 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -7.013 -7.359 13.415 1.00 0.00 H new ATOM 147 N ALA A 13 -4.149 -4.699 11.185 1.00 0.00 N ATOM 148 CA ALA A 13 -3.513 -3.400 11.368 1.00 0.00 C ATOM 149 C ALA A 13 -2.354 -3.214 10.395 1.00 0.00 C ATOM 150 O ALA A 13 -1.963 -4.148 9.694 1.00 0.00 O ATOM 151 CB ALA A 13 -3.031 -3.246 12.803 1.00 0.00 C ATOM 0 H ALA A 13 -3.506 -5.453 10.945 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.254 -2.628 11.161 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.558 -2.272 12.925 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.880 -3.325 13.482 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.309 -4.031 13.031 1.00 0.00 H new ATOM 157 N TYR A 14 -1.808 -2.004 10.358 1.00 0.00 N ATOM 158 CA TYR A 14 -0.694 -1.695 9.468 1.00 0.00 C ATOM 159 C TYR A 14 0.208 -0.625 10.076 1.00 0.00 C ATOM 160 O TYR A 14 -0.269 0.329 10.691 1.00 0.00 O ATOM 161 CB TYR A 14 -1.215 -1.227 8.108 1.00 0.00 C ATOM 162 CG TYR A 14 -2.230 -0.110 8.201 1.00 0.00 C ATOM 163 CD1 TYR A 14 -1.852 1.169 8.591 1.00 0.00 C ATOM 164 CD2 TYR A 14 -3.568 -0.334 7.898 1.00 0.00 C ATOM 165 CE1 TYR A 14 -2.776 2.192 8.677 1.00 0.00 C ATOM 166 CE2 TYR A 14 -4.499 0.684 7.981 1.00 0.00 C ATOM 167 CZ TYR A 14 -4.098 1.945 8.371 1.00 0.00 C ATOM 168 OH TYR A 14 -5.022 2.961 8.455 1.00 0.00 O ATOM 0 H TYR A 14 -2.118 -1.221 10.933 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.108 -2.604 9.332 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.373 -0.893 7.501 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.665 -2.074 7.590 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.818 1.367 8.831 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.885 -1.320 7.593 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.465 3.180 8.982 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -5.535 0.493 7.742 1.00 0.00 H new ATOM 0 HH TYR A 14 -4.913 3.567 7.692 1.00 0.00 H new ATOM 178 N SER A 15 1.514 -0.791 9.898 1.00 0.00 N ATOM 179 CA SER A 15 2.485 0.158 10.430 1.00 0.00 C ATOM 180 C SER A 15 3.696 0.271 9.510 1.00 0.00 C ATOM 181 O SER A 15 4.065 -0.672 8.809 1.00 0.00 O ATOM 182 CB SER A 15 2.932 -0.268 11.830 1.00 0.00 C ATOM 183 OG SER A 15 3.408 -1.603 11.828 1.00 0.00 O ATOM 0 H SER A 15 1.925 -1.574 9.389 1.00 0.00 H new ATOM 0 HA SER A 15 2.005 1.135 10.491 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.716 0.401 12.184 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.098 -0.177 12.525 1.00 0.00 H new ATOM 0 HG SER A 15 3.689 -1.851 12.733 1.00 0.00 H new ATOM 189 N PRO A 16 4.331 1.453 9.510 1.00 0.00 N ATOM 190 CA PRO A 16 3.901 2.582 10.340 1.00 0.00 C ATOM 191 C PRO A 16 2.581 3.180 9.865 1.00 0.00 C ATOM 192 O PRO A 16 2.281 3.178 8.671 1.00 0.00 O ATOM 193 CB PRO A 16 5.036 3.595 10.177 1.00 0.00 C ATOM 194 CG PRO A 16 5.651 3.267 8.860 1.00 0.00 C ATOM 195 CD PRO A 16 5.517 1.777 8.700 1.00 0.00 C ATOM 0 HA PRO A 16 3.723 2.284 11.373 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.659 4.618 10.194 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.762 3.509 10.985 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.145 3.793 8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.698 3.570 8.832 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.380 1.496 7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.403 1.253 9.058 1.00 0.00 H new ATOM 203 N SER A 17 1.796 3.693 10.807 1.00 0.00 N ATOM 204 CA SER A 17 0.506 4.292 10.485 1.00 0.00 C ATOM 205 C SER A 17 0.599 5.132 9.215 1.00 0.00 C ATOM 206 O SER A 17 -0.352 5.212 8.439 1.00 0.00 O ATOM 207 CB SER A 17 0.017 5.157 11.648 1.00 0.00 C ATOM 208 OG SER A 17 0.953 6.177 11.954 1.00 0.00 O ATOM 0 H SER A 17 2.031 3.706 11.800 1.00 0.00 H new ATOM 0 HA SER A 17 -0.209 3.487 10.315 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.944 5.605 11.393 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.145 4.533 12.527 1.00 0.00 H new ATOM 0 HG SER A 17 0.616 6.717 12.699 1.00 0.00 H new ATOM 214 N ALA A 18 1.754 5.758 9.011 1.00 0.00 N ATOM 215 CA ALA A 18 1.974 6.591 7.835 1.00 0.00 C ATOM 216 C ALA A 18 3.404 6.454 7.325 1.00 0.00 C ATOM 217 O ALA A 18 4.247 5.831 7.972 1.00 0.00 O ATOM 218 CB ALA A 18 1.662 8.045 8.153 1.00 0.00 C ATOM 0 H ALA A 18 2.551 5.704 9.645 1.00 0.00 H new ATOM 0 HA ALA A 18 1.301 6.250 7.048 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.831 8.656 7.266 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.621 8.134 8.463 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.311 8.389 8.959 1.00 0.00 H new ATOM 224 N CYS A 19 3.671 7.038 6.162 1.00 0.00 N ATOM 225 CA CYS A 19 5.001 6.980 5.564 1.00 0.00 C ATOM 226 C CYS A 19 5.291 8.242 4.760 1.00 0.00 C ATOM 227 O CYS A 19 4.419 9.094 4.587 1.00 0.00 O ATOM 228 CB CYS A 19 5.125 5.748 4.667 1.00 0.00 C ATOM 229 SG CYS A 19 5.717 4.268 5.521 1.00 0.00 S ATOM 0 H CYS A 19 2.985 7.557 5.614 1.00 0.00 H new ATOM 0 HA CYS A 19 5.732 6.909 6.369 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.152 5.534 4.225 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.805 5.977 3.846 1.00 0.00 H new ATOM 0 HG CYS A 19 4.840 3.316 5.398 1.00 0.00 H new ATOM 235 N SER A 20 6.521 8.357 4.271 1.00 0.00 N ATOM 236 CA SER A 20 6.928 9.518 3.489 1.00 0.00 C ATOM 237 C SER A 20 6.633 9.306 2.007 1.00 0.00 C ATOM 238 O SER A 20 6.746 8.193 1.493 1.00 0.00 O ATOM 239 CB SER A 20 8.419 9.796 3.688 1.00 0.00 C ATOM 240 OG SER A 20 8.668 10.345 4.971 1.00 0.00 O ATOM 0 H SER A 20 7.254 7.660 4.403 1.00 0.00 H new ATOM 0 HA SER A 20 6.355 10.378 3.837 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.984 8.871 3.569 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.770 10.485 2.920 1.00 0.00 H new ATOM 0 HG SER A 20 9.612 10.219 5.203 1.00 0.00 H new ATOM 246 N VAL A 21 6.253 10.382 1.325 1.00 0.00 N ATOM 247 CA VAL A 21 5.942 10.316 -0.097 1.00 0.00 C ATOM 248 C VAL A 21 7.068 9.644 -0.875 1.00 0.00 C ATOM 249 O VAL A 21 6.822 8.828 -1.764 1.00 0.00 O ATOM 250 CB VAL A 21 5.694 11.718 -0.684 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.359 12.268 -0.206 1.00 0.00 C ATOM 252 CG2 VAL A 21 6.831 12.659 -0.313 1.00 0.00 C ATOM 0 H VAL A 21 6.153 11.310 1.735 1.00 0.00 H new ATOM 0 HA VAL A 21 5.032 9.724 -0.194 1.00 0.00 H new ATOM 0 HB VAL A 21 5.659 11.637 -1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.201 13.259 -0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.556 11.604 -0.526 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.362 12.336 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.640 13.645 -0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.900 12.736 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.769 12.270 -0.709 1.00 0.00 H new ATOM 262 N ARG A 22 8.305 9.991 -0.535 1.00 0.00 N ATOM 263 CA ARG A 22 9.469 9.422 -1.202 1.00 0.00 C ATOM 264 C ARG A 22 9.450 7.899 -1.124 1.00 0.00 C ATOM 265 O ARG A 22 10.085 7.218 -1.928 1.00 0.00 O ATOM 266 CB ARG A 22 10.757 9.959 -0.573 1.00 0.00 C ATOM 267 CG ARG A 22 11.086 11.385 -0.983 1.00 0.00 C ATOM 268 CD ARG A 22 12.318 11.903 -0.257 1.00 0.00 C ATOM 269 NE ARG A 22 13.053 12.881 -1.056 1.00 0.00 N ATOM 270 CZ ARG A 22 13.850 12.553 -2.067 1.00 0.00 C ATOM 271 NH1 ARG A 22 14.014 11.281 -2.401 1.00 0.00 N ATOM 272 NH2 ARG A 22 14.485 13.500 -2.746 1.00 0.00 N ATOM 0 H ARG A 22 8.527 10.664 0.199 1.00 0.00 H new ATOM 0 HA ARG A 22 9.435 9.716 -2.251 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.668 9.913 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.586 9.309 -0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.252 11.426 -2.059 1.00 0.00 H new ATOM 0 HG3 ARG A 22 10.236 12.032 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 22 12.018 12.358 0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.974 11.067 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 22 12.948 13.869 -0.825 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.528 10.550 -1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 22 14.627 11.033 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.361 14.480 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.097 13.248 -3.522 1.00 0.00 H new ATOM 286 N GLY A 23 8.716 7.370 -0.150 1.00 0.00 N ATOM 287 CA GLY A 23 8.628 5.931 0.016 1.00 0.00 C ATOM 288 C GLY A 23 9.971 5.300 0.327 1.00 0.00 C ATOM 289 O GLY A 23 10.885 5.972 0.802 1.00 0.00 O ATOM 0 H GLY A 23 8.180 7.913 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.928 5.703 0.820 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.224 5.487 -0.894 1.00 0.00 H new ATOM 293 N GLY A 24 10.089 4.003 0.060 1.00 0.00 N ATOM 294 CA GLY A 24 11.333 3.302 0.323 1.00 0.00 C ATOM 295 C GLY A 24 11.499 2.944 1.787 1.00 0.00 C ATOM 296 O GLY A 24 12.620 2.826 2.279 1.00 0.00 O ATOM 0 H GLY A 24 9.346 3.425 -0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.367 2.392 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.171 3.924 0.007 1.00 0.00 H new ATOM 300 N GLU A 25 10.379 2.774 2.483 1.00 0.00 N ATOM 301 CA GLU A 25 10.407 2.430 3.900 1.00 0.00 C ATOM 302 C GLU A 25 9.888 1.013 4.126 1.00 0.00 C ATOM 303 O GLU A 25 9.388 0.370 3.204 1.00 0.00 O ATOM 304 CB GLU A 25 9.570 3.426 4.705 1.00 0.00 C ATOM 305 CG GLU A 25 10.205 4.801 4.821 1.00 0.00 C ATOM 306 CD GLU A 25 10.492 5.427 3.470 1.00 0.00 C ATOM 307 OE1 GLU A 25 9.584 6.076 2.911 1.00 0.00 O ATOM 308 OE2 GLU A 25 11.627 5.268 2.973 1.00 0.00 O ATOM 0 H GLU A 25 9.443 2.869 2.090 1.00 0.00 H new ATOM 0 HA GLU A 25 11.442 2.478 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.590 3.526 4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.406 3.025 5.705 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.543 5.456 5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 25 11.134 4.722 5.385 1.00 0.00 H new ATOM 315 N GLU A 26 10.013 0.533 5.360 1.00 0.00 N ATOM 316 CA GLU A 26 9.558 -0.808 5.707 1.00 0.00 C ATOM 317 C GLU A 26 8.108 -0.785 6.181 1.00 0.00 C ATOM 318 O GLU A 26 7.783 -0.161 7.192 1.00 0.00 O ATOM 319 CB GLU A 26 10.452 -1.408 6.794 1.00 0.00 C ATOM 320 CG GLU A 26 10.414 -2.927 6.843 1.00 0.00 C ATOM 321 CD GLU A 26 11.267 -3.495 7.960 1.00 0.00 C ATOM 322 OE1 GLU A 26 11.283 -2.900 9.058 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.920 -4.537 7.736 1.00 0.00 O ATOM 0 H GLU A 26 10.425 1.053 6.135 1.00 0.00 H new ATOM 0 HA GLU A 26 9.620 -1.428 4.813 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.479 -1.084 6.628 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.146 -1.014 7.763 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.383 -3.257 6.974 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.758 -3.326 5.889 1.00 0.00 H new ATOM 330 N LEU A 27 7.240 -1.469 5.445 1.00 0.00 N ATOM 331 CA LEU A 27 5.823 -1.528 5.789 1.00 0.00 C ATOM 332 C LEU A 27 5.391 -2.962 6.073 1.00 0.00 C ATOM 333 O LEU A 27 5.462 -3.828 5.200 1.00 0.00 O ATOM 334 CB LEU A 27 4.978 -0.944 4.655 1.00 0.00 C ATOM 335 CG LEU A 27 3.472 -0.874 4.908 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.165 0.099 6.036 1.00 0.00 C ATOM 337 CD2 LEU A 27 2.736 -0.470 3.639 1.00 0.00 C ATOM 0 H LEU A 27 7.492 -1.991 4.606 1.00 0.00 H new ATOM 0 HA LEU A 27 5.669 -0.936 6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.338 0.063 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.148 -1.540 3.758 1.00 0.00 H new ATOM 0 HG LEU A 27 3.127 -1.864 5.205 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.088 0.136 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.662 -0.233 6.948 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.525 1.092 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.665 -0.425 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.085 0.509 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.929 -1.204 2.857 1.00 0.00 H new ATOM 349 N VAL A 28 4.941 -3.207 7.300 1.00 0.00 N ATOM 350 CA VAL A 28 4.493 -4.536 7.699 1.00 0.00 C ATOM 351 C VAL A 28 2.983 -4.569 7.903 1.00 0.00 C ATOM 352 O VAL A 28 2.464 -4.019 8.875 1.00 0.00 O ATOM 353 CB VAL A 28 5.186 -4.996 8.995 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.685 -6.371 9.410 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.697 -5.001 8.819 1.00 0.00 C ATOM 0 H VAL A 28 4.877 -2.502 8.035 1.00 0.00 H new ATOM 0 HA VAL A 28 4.762 -5.216 6.891 1.00 0.00 H new ATOM 0 HB VAL A 28 4.938 -4.291 9.788 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.186 -6.679 10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.609 -6.330 9.580 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.900 -7.090 8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.170 -5.329 9.745 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.967 -5.683 8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.038 -3.995 8.574 1.00 0.00 H new ATOM 365 N LEU A 29 2.281 -5.219 6.981 1.00 0.00 N ATOM 366 CA LEU A 29 0.828 -5.325 7.060 1.00 0.00 C ATOM 367 C LEU A 29 0.415 -6.487 7.957 1.00 0.00 C ATOM 368 O LEU A 29 0.805 -7.632 7.729 1.00 0.00 O ATOM 369 CB LEU A 29 0.234 -5.509 5.662 1.00 0.00 C ATOM 370 CG LEU A 29 0.644 -4.472 4.616 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.380 -4.995 3.213 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.096 -3.162 4.847 1.00 0.00 C ATOM 0 H LEU A 29 2.694 -5.680 6.170 1.00 0.00 H new ATOM 0 HA LEU A 29 0.444 -4.401 7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.517 -6.496 5.296 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.853 -5.500 5.747 1.00 0.00 H new ATOM 0 HG LEU A 29 1.713 -4.286 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.678 -4.243 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.955 -5.907 3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.682 -5.211 3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.208 -2.435 4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.170 -3.333 4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.144 -2.779 5.839 1.00 0.00 H new ATOM 384 N THR A 30 -0.381 -6.185 8.979 1.00 0.00 N ATOM 385 CA THR A 30 -0.848 -7.203 9.911 1.00 0.00 C ATOM 386 C THR A 30 -2.226 -7.720 9.514 1.00 0.00 C ATOM 387 O THR A 30 -3.121 -6.942 9.185 1.00 0.00 O ATOM 388 CB THR A 30 -0.912 -6.661 11.351 1.00 0.00 C ATOM 389 OG1 THR A 30 0.293 -5.951 11.660 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.109 -7.793 12.348 1.00 0.00 C ATOM 0 H THR A 30 -0.715 -5.243 9.182 1.00 0.00 H new ATOM 0 HA THR A 30 -0.129 -8.021 9.871 1.00 0.00 H new ATOM 0 HB THR A 30 -1.763 -5.983 11.423 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.245 -5.608 12.577 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.151 -7.385 13.358 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.041 -8.314 12.128 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.276 -8.492 12.274 1.00 0.00 H new ATOM 398 N GLY A 31 -2.391 -9.039 9.547 1.00 0.00 N ATOM 399 CA GLY A 31 -3.663 -9.638 9.188 1.00 0.00 C ATOM 400 C GLY A 31 -3.604 -11.152 9.156 1.00 0.00 C ATOM 401 O GLY A 31 -2.940 -11.772 9.987 1.00 0.00 O ATOM 0 H GLY A 31 -1.666 -9.704 9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.424 -9.322 9.902 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.971 -9.269 8.210 1.00 0.00 H new ATOM 405 N SER A 32 -4.300 -11.750 8.195 1.00 0.00 N ATOM 406 CA SER A 32 -4.328 -13.202 8.061 1.00 0.00 C ATOM 407 C SER A 32 -4.666 -13.609 6.630 1.00 0.00 C ATOM 408 O SER A 32 -4.979 -12.765 5.791 1.00 0.00 O ATOM 409 CB SER A 32 -5.348 -13.805 9.029 1.00 0.00 C ATOM 410 OG SER A 32 -5.121 -13.356 10.354 1.00 0.00 O ATOM 0 H SER A 32 -4.852 -11.252 7.497 1.00 0.00 H new ATOM 0 HA SER A 32 -3.337 -13.584 8.304 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.356 -13.532 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.288 -14.893 8.995 1.00 0.00 H new ATOM 0 HG SER A 32 -5.787 -13.754 10.953 1.00 0.00 H new ATOM 416 N ASN A 33 -4.600 -14.908 6.360 1.00 0.00 N ATOM 417 CA ASN A 33 -4.897 -15.429 5.030 1.00 0.00 C ATOM 418 C ASN A 33 -4.141 -14.650 3.959 1.00 0.00 C ATOM 419 O ASN A 33 -4.732 -14.166 2.994 1.00 0.00 O ATOM 420 CB ASN A 33 -6.402 -15.362 4.759 1.00 0.00 C ATOM 421 CG ASN A 33 -6.870 -16.461 3.826 1.00 0.00 C ATOM 422 OD1 ASN A 33 -6.149 -16.866 2.914 1.00 0.00 O ATOM 423 ND2 ASN A 33 -8.085 -16.950 4.050 1.00 0.00 N ATOM 0 H ASN A 33 -4.344 -15.620 7.044 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.573 -16.469 4.993 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.942 -15.436 5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.648 -14.392 4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.454 -17.691 3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.648 -16.584 4.818 1.00 0.00 H new ATOM 430 N PHE A 34 -2.829 -14.533 4.136 1.00 0.00 N ATOM 431 CA PHE A 34 -1.990 -13.813 3.184 1.00 0.00 C ATOM 432 C PHE A 34 -1.293 -14.780 2.233 1.00 0.00 C ATOM 433 O PHE A 34 -1.365 -15.998 2.404 1.00 0.00 O ATOM 434 CB PHE A 34 -0.950 -12.970 3.925 1.00 0.00 C ATOM 435 CG PHE A 34 -1.519 -11.724 4.543 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.359 -10.896 3.817 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.212 -11.381 5.850 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.884 -9.749 4.383 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.734 -10.236 6.421 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.570 -9.418 5.686 1.00 0.00 C ATOM 0 H PHE A 34 -2.324 -14.927 4.929 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.631 -13.155 2.598 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.492 -13.577 4.706 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.157 -12.692 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.607 -11.149 2.797 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.557 -12.016 6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.539 -9.113 3.806 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.489 -9.981 7.441 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.977 -8.521 6.130 1.00 0.00 H new ATOM 450 N LEU A 35 -0.618 -14.230 1.229 1.00 0.00 N ATOM 451 CA LEU A 35 0.093 -15.043 0.249 1.00 0.00 C ATOM 452 C LEU A 35 1.525 -14.550 0.068 1.00 0.00 C ATOM 453 O LEU A 35 1.843 -13.387 0.316 1.00 0.00 O ATOM 454 CB LEU A 35 -0.641 -15.017 -1.093 1.00 0.00 C ATOM 455 CG LEU A 35 -1.914 -15.860 -1.178 1.00 0.00 C ATOM 456 CD1 LEU A 35 -2.891 -15.252 -2.173 1.00 0.00 C ATOM 457 CD2 LEU A 35 -1.581 -17.294 -1.563 1.00 0.00 C ATOM 0 H LEU A 35 -0.548 -13.224 1.073 1.00 0.00 H new ATOM 0 HA LEU A 35 0.125 -16.068 0.619 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.898 -13.983 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.047 -15.355 -1.868 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.386 -15.870 -0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.791 -15.865 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.155 -14.244 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.428 -15.211 -3.159 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.499 -17.878 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.085 -17.304 -2.534 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.920 -17.728 -0.813 1.00 0.00 H new ATOM 469 N PRO A 36 2.411 -15.453 -0.378 1.00 0.00 N ATOM 470 CA PRO A 36 3.823 -15.132 -0.605 1.00 0.00 C ATOM 471 C PRO A 36 4.021 -14.204 -1.798 1.00 0.00 C ATOM 472 O PRO A 36 4.886 -13.328 -1.778 1.00 0.00 O ATOM 473 CB PRO A 36 4.458 -16.498 -0.878 1.00 0.00 C ATOM 474 CG PRO A 36 3.342 -17.338 -1.396 1.00 0.00 C ATOM 475 CD PRO A 36 2.102 -16.858 -0.694 1.00 0.00 C ATOM 0 HA PRO A 36 4.263 -14.604 0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.266 -16.421 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 36 4.886 -16.924 0.029 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.244 -17.233 -2.477 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.521 -18.394 -1.193 1.00 0.00 H new ATOM 0 HD2 PRO A 36 1.222 -16.942 -1.331 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.900 -17.438 0.207 1.00 0.00 H new ATOM 483 N ASP A 37 3.216 -14.402 -2.836 1.00 0.00 N ATOM 484 CA ASP A 37 3.303 -13.582 -4.039 1.00 0.00 C ATOM 485 C ASP A 37 2.162 -12.571 -4.090 1.00 0.00 C ATOM 486 O ASP A 37 1.816 -12.064 -5.157 1.00 0.00 O ATOM 487 CB ASP A 37 3.276 -14.465 -5.287 1.00 0.00 C ATOM 488 CG ASP A 37 4.462 -15.406 -5.357 1.00 0.00 C ATOM 489 OD1 ASP A 37 5.549 -15.027 -4.872 1.00 0.00 O ATOM 490 OD2 ASP A 37 4.305 -16.521 -5.898 1.00 0.00 O ATOM 0 H ASP A 37 2.496 -15.123 -2.869 1.00 0.00 H new ATOM 0 HA ASP A 37 4.246 -13.037 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.354 -15.046 -5.297 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.264 -13.833 -6.175 1.00 0.00 H new ATOM 495 N SER A 38 1.579 -12.284 -2.930 1.00 0.00 N ATOM 496 CA SER A 38 0.473 -11.338 -2.844 1.00 0.00 C ATOM 497 C SER A 38 0.771 -10.078 -3.651 1.00 0.00 C ATOM 498 O SER A 38 1.921 -9.806 -3.998 1.00 0.00 O ATOM 499 CB SER A 38 0.203 -10.969 -1.384 1.00 0.00 C ATOM 500 OG SER A 38 -1.157 -10.622 -1.188 1.00 0.00 O ATOM 0 H SER A 38 1.854 -12.693 -2.037 1.00 0.00 H new ATOM 0 HA SER A 38 -0.414 -11.815 -3.262 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.464 -11.808 -0.739 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.840 -10.134 -1.093 1.00 0.00 H new ATOM 0 HG SER A 38 -1.722 -11.168 -1.774 1.00 0.00 H new ATOM 506 N LYS A 39 -0.273 -9.313 -3.949 1.00 0.00 N ATOM 507 CA LYS A 39 -0.126 -8.081 -4.714 1.00 0.00 C ATOM 508 C LYS A 39 -0.633 -6.882 -3.920 1.00 0.00 C ATOM 509 O LYS A 39 -1.777 -6.866 -3.464 1.00 0.00 O ATOM 510 CB LYS A 39 -0.885 -8.186 -6.039 1.00 0.00 C ATOM 511 CG LYS A 39 -0.077 -8.828 -7.154 1.00 0.00 C ATOM 512 CD LYS A 39 -0.013 -10.338 -6.997 1.00 0.00 C ATOM 513 CE LYS A 39 -1.323 -10.997 -7.401 1.00 0.00 C ATOM 514 NZ LYS A 39 -1.349 -11.337 -8.850 1.00 0.00 N ATOM 0 H LYS A 39 -1.232 -9.525 -3.672 1.00 0.00 H new ATOM 0 HA LYS A 39 0.935 -7.935 -4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.795 -8.765 -5.882 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.192 -7.188 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.523 -8.580 -8.117 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.933 -8.418 -7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.798 -10.734 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.217 -10.588 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.470 -11.903 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.152 -10.328 -7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.258 -11.784 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.234 -10.470 -9.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.573 -11.995 -9.066 1.00 0.00 H new ATOM 528 N VAL A 40 0.224 -5.879 -3.758 1.00 0.00 N ATOM 529 CA VAL A 40 -0.139 -4.675 -3.020 1.00 0.00 C ATOM 530 C VAL A 40 -0.097 -3.445 -3.921 1.00 0.00 C ATOM 531 O VAL A 40 0.973 -2.904 -4.202 1.00 0.00 O ATOM 532 CB VAL A 40 0.797 -4.449 -1.818 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.382 -3.209 -1.043 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.809 -5.674 -0.916 1.00 0.00 C ATOM 0 H VAL A 40 1.175 -5.876 -4.128 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.156 -4.822 -2.656 1.00 0.00 H new ATOM 0 HB VAL A 40 1.809 -4.291 -2.192 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.055 -3.066 -0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.430 -2.338 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.638 -3.332 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.475 -5.498 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.199 -5.865 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.160 -6.538 -1.480 1.00 0.00 H new ATOM 544 N VAL A 41 -1.268 -3.007 -4.371 1.00 0.00 N ATOM 545 CA VAL A 41 -1.366 -1.840 -5.239 1.00 0.00 C ATOM 546 C VAL A 41 -2.001 -0.663 -4.507 1.00 0.00 C ATOM 547 O VAL A 41 -2.828 -0.846 -3.614 1.00 0.00 O ATOM 548 CB VAL A 41 -2.190 -2.148 -6.503 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.728 -3.451 -7.137 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.674 -2.203 -6.172 1.00 0.00 C ATOM 0 H VAL A 41 -2.163 -3.443 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.349 -1.577 -5.532 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.032 -1.345 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.322 -3.652 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.676 -3.369 -7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.854 -4.267 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.241 -2.422 -7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.853 -2.985 -5.434 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.992 -1.242 -5.768 1.00 0.00 H new ATOM 560 N PHE A 42 -1.608 0.547 -4.891 1.00 0.00 N ATOM 561 CA PHE A 42 -2.137 1.756 -4.271 1.00 0.00 C ATOM 562 C PHE A 42 -3.093 2.478 -5.217 1.00 0.00 C ATOM 563 O PHE A 42 -3.155 2.171 -6.407 1.00 0.00 O ATOM 564 CB PHE A 42 -0.995 2.691 -3.870 1.00 0.00 C ATOM 565 CG PHE A 42 -0.231 2.222 -2.665 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.545 1.075 -2.724 1.00 0.00 C ATOM 567 CD2 PHE A 42 -0.288 2.927 -1.474 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.248 0.640 -1.616 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.414 2.497 -0.363 1.00 0.00 C ATOM 570 CZ PHE A 42 1.183 1.353 -0.435 1.00 0.00 C ATOM 0 H PHE A 42 -0.925 0.716 -5.629 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.689 1.465 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -0.307 2.792 -4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -1.401 3.682 -3.669 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.601 0.515 -3.646 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.888 3.823 -1.412 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.847 -0.257 -1.674 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.361 3.055 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.733 1.016 0.431 1.00 0.00 H new ATOM 580 N ILE A 43 -3.835 3.440 -4.677 1.00 0.00 N ATOM 581 CA ILE A 43 -4.786 4.206 -5.472 1.00 0.00 C ATOM 582 C ILE A 43 -4.764 5.681 -5.085 1.00 0.00 C ATOM 583 O ILE A 43 -4.387 6.033 -3.968 1.00 0.00 O ATOM 584 CB ILE A 43 -6.219 3.666 -5.309 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.666 3.776 -3.850 1.00 0.00 C ATOM 586 CG2 ILE A 43 -6.300 2.224 -5.787 1.00 0.00 C ATOM 587 CD1 ILE A 43 -8.169 3.805 -3.679 1.00 0.00 C ATOM 0 H ILE A 43 -3.795 3.707 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.483 4.101 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.890 4.269 -5.921 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.261 2.933 -3.290 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.241 4.681 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.319 1.857 -5.665 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.019 2.173 -6.839 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.620 1.607 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.413 3.884 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.579 4.663 -4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -8.599 2.888 -4.083 1.00 0.00 H new ATOM 599 N GLU A 44 -5.171 6.538 -6.017 1.00 0.00 N ATOM 600 CA GLU A 44 -5.198 7.975 -5.772 1.00 0.00 C ATOM 601 C GLU A 44 -6.393 8.623 -6.466 1.00 0.00 C ATOM 602 O GLU A 44 -6.631 8.399 -7.652 1.00 0.00 O ATOM 603 CB GLU A 44 -3.899 8.622 -6.258 1.00 0.00 C ATOM 604 CG GLU A 44 -3.938 10.141 -6.256 1.00 0.00 C ATOM 605 CD GLU A 44 -2.953 10.752 -7.234 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.820 10.235 -7.334 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.315 11.745 -7.898 1.00 0.00 O ATOM 0 H GLU A 44 -5.486 6.262 -6.947 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.294 8.133 -4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.077 8.287 -5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.685 8.274 -7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.945 10.475 -6.505 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.720 10.505 -5.252 1.00 0.00 H new ATOM 614 N ARG A 45 -7.140 9.426 -5.716 1.00 0.00 N ATOM 615 CA ARG A 45 -8.311 10.105 -6.257 1.00 0.00 C ATOM 616 C ARG A 45 -7.919 11.425 -6.916 1.00 0.00 C ATOM 617 O ARG A 45 -7.096 12.173 -6.389 1.00 0.00 O ATOM 618 CB ARG A 45 -9.336 10.360 -5.151 1.00 0.00 C ATOM 619 CG ARG A 45 -10.203 9.152 -4.833 1.00 0.00 C ATOM 620 CD ARG A 45 -10.834 9.267 -3.454 1.00 0.00 C ATOM 621 NE ARG A 45 -11.951 8.342 -3.285 1.00 0.00 N ATOM 622 CZ ARG A 45 -13.110 8.463 -3.925 1.00 0.00 C ATOM 623 NH1 ARG A 45 -13.301 9.466 -4.771 1.00 0.00 N ATOM 624 NH2 ARG A 45 -14.079 7.581 -3.718 1.00 0.00 N ATOM 0 H ARG A 45 -6.955 9.622 -4.732 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.756 9.459 -7.014 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.812 10.669 -4.246 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.978 11.190 -5.447 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.986 9.056 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.599 8.246 -4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.080 9.068 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.182 10.288 -3.299 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.836 7.560 -2.640 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.558 10.146 -4.932 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -14.191 9.557 -5.261 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.935 6.809 -3.067 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.968 7.675 -4.210 1.00 0.00 H new ATOM 638 N GLY A 46 -8.513 11.703 -8.072 1.00 0.00 N ATOM 639 CA GLY A 46 -8.213 12.932 -8.784 1.00 0.00 C ATOM 640 C GLY A 46 -9.317 13.962 -8.654 1.00 0.00 C ATOM 641 O GLY A 46 -10.412 13.672 -8.171 1.00 0.00 O ATOM 0 H GLY A 46 -9.197 11.099 -8.529 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.282 13.351 -8.402 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.052 12.707 -9.838 1.00 0.00 H new ATOM 645 N PRO A 47 -9.034 15.197 -9.092 1.00 0.00 N ATOM 646 CA PRO A 47 -9.999 16.299 -9.033 1.00 0.00 C ATOM 647 C PRO A 47 -11.154 16.112 -10.010 1.00 0.00 C ATOM 648 O PRO A 47 -12.073 16.929 -10.063 1.00 0.00 O ATOM 649 CB PRO A 47 -9.164 17.523 -9.419 1.00 0.00 C ATOM 650 CG PRO A 47 -8.048 16.976 -10.241 1.00 0.00 C ATOM 651 CD PRO A 47 -7.749 15.614 -9.680 1.00 0.00 C ATOM 0 HA PRO A 47 -10.468 16.378 -8.052 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -9.755 18.244 -9.984 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.789 18.041 -8.536 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.332 16.912 -11.291 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.171 17.621 -10.187 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.419 14.923 -10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.958 15.653 -8.931 1.00 0.00 H new ATOM 659 N ASP A 48 -11.100 15.032 -10.782 1.00 0.00 N ATOM 660 CA ASP A 48 -12.143 14.737 -11.757 1.00 0.00 C ATOM 661 C ASP A 48 -13.285 13.957 -11.113 1.00 0.00 C ATOM 662 O ASP A 48 -14.456 14.205 -11.395 1.00 0.00 O ATOM 663 CB ASP A 48 -11.565 13.943 -12.930 1.00 0.00 C ATOM 664 CG ASP A 48 -10.588 12.875 -12.480 1.00 0.00 C ATOM 665 OD1 ASP A 48 -11.043 11.843 -11.942 1.00 0.00 O ATOM 666 OD2 ASP A 48 -9.369 13.069 -12.667 1.00 0.00 O ATOM 0 H ASP A 48 -10.345 14.347 -10.751 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.537 15.683 -12.128 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -12.379 13.476 -13.485 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -11.062 14.626 -13.615 1.00 0.00 H new ATOM 671 N GLY A 49 -12.934 13.012 -10.246 1.00 0.00 N ATOM 672 CA GLY A 49 -13.940 12.209 -9.576 1.00 0.00 C ATOM 673 C GLY A 49 -13.540 10.751 -9.465 1.00 0.00 C ATOM 674 O GLY A 49 -13.891 10.075 -8.498 1.00 0.00 O ATOM 0 H GLY A 49 -11.971 12.788 -9.996 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.116 12.611 -8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.881 12.284 -10.120 1.00 0.00 H new ATOM 678 N LYS A 50 -12.804 10.264 -10.458 1.00 0.00 N ATOM 679 CA LYS A 50 -12.355 8.877 -10.470 1.00 0.00 C ATOM 680 C LYS A 50 -10.881 8.779 -10.090 1.00 0.00 C ATOM 681 O LYS A 50 -10.109 9.714 -10.310 1.00 0.00 O ATOM 682 CB LYS A 50 -12.579 8.259 -11.852 1.00 0.00 C ATOM 683 CG LYS A 50 -11.996 9.080 -12.988 1.00 0.00 C ATOM 684 CD LYS A 50 -12.228 8.415 -14.334 1.00 0.00 C ATOM 685 CE LYS A 50 -12.057 9.400 -15.480 1.00 0.00 C ATOM 686 NZ LYS A 50 -13.104 10.460 -15.461 1.00 0.00 N ATOM 0 H LYS A 50 -12.505 10.810 -11.266 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.939 8.326 -9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.137 7.263 -11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.649 8.136 -12.016 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.447 10.072 -12.989 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.926 9.216 -12.828 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.529 7.587 -14.457 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -13.232 7.992 -14.364 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.072 9.862 -15.418 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -12.099 8.865 -16.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -13.209 10.861 -16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.009 10.048 -15.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -12.825 11.211 -14.798 1.00 0.00 H new ATOM 700 N LEU A 51 -10.496 7.642 -9.521 1.00 0.00 N ATOM 701 CA LEU A 51 -9.113 7.422 -9.112 1.00 0.00 C ATOM 702 C LEU A 51 -8.378 6.550 -10.125 1.00 0.00 C ATOM 703 O LEU A 51 -8.931 5.576 -10.636 1.00 0.00 O ATOM 704 CB LEU A 51 -9.067 6.767 -7.731 1.00 0.00 C ATOM 705 CG LEU A 51 -10.046 5.614 -7.502 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.710 4.441 -8.410 1.00 0.00 C ATOM 707 CD2 LEU A 51 -10.029 5.182 -6.043 1.00 0.00 C ATOM 0 H LEU A 51 -11.121 6.859 -9.332 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.616 8.391 -9.065 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.056 6.398 -7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.258 7.534 -6.981 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.050 5.961 -7.746 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.417 3.630 -8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.773 4.757 -9.451 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.699 4.094 -8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.731 4.361 -5.898 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.026 4.853 -5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.318 6.022 -5.411 1.00 0.00 H new ATOM 719 N GLN A 52 -7.130 6.906 -10.410 1.00 0.00 N ATOM 720 CA GLN A 52 -6.319 6.155 -11.361 1.00 0.00 C ATOM 721 C GLN A 52 -4.836 6.278 -11.029 1.00 0.00 C ATOM 722 O GLN A 52 -4.226 7.325 -11.249 1.00 0.00 O ATOM 723 CB GLN A 52 -6.578 6.648 -12.785 1.00 0.00 C ATOM 724 CG GLN A 52 -6.780 8.152 -12.881 1.00 0.00 C ATOM 725 CD GLN A 52 -6.924 8.632 -14.312 1.00 0.00 C ATOM 726 OE1 GLN A 52 -7.876 8.274 -15.006 1.00 0.00 O ATOM 727 NE2 GLN A 52 -5.977 9.447 -14.762 1.00 0.00 N ATOM 0 H GLN A 52 -6.658 7.710 -9.996 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.602 5.105 -11.291 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.738 6.361 -13.418 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.461 6.145 -13.180 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.670 8.432 -12.317 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.935 8.659 -12.415 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.205 9.718 -14.152 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.021 9.802 -15.717 1.00 0.00 H new ATOM 736 N TRP A 53 -4.262 5.205 -10.498 1.00 0.00 N ATOM 737 CA TRP A 53 -2.850 5.193 -10.135 1.00 0.00 C ATOM 738 C TRP A 53 -2.280 3.781 -10.209 1.00 0.00 C ATOM 739 O TRP A 53 -2.592 2.933 -9.375 1.00 0.00 O ATOM 740 CB TRP A 53 -2.659 5.761 -8.728 1.00 0.00 C ATOM 741 CG TRP A 53 -1.220 5.960 -8.358 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.177 6.181 -9.211 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.667 5.954 -7.037 1.00 0.00 C ATOM 744 NE1 TRP A 53 0.991 6.313 -8.501 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.718 6.179 -7.165 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.206 5.783 -5.759 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.568 6.235 -6.064 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.361 5.838 -4.667 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.013 6.064 -4.825 1.00 0.00 C ATOM 0 H TRP A 53 -4.753 4.331 -10.309 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.312 5.819 -10.848 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.181 6.715 -8.655 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -3.123 5.088 -8.006 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.259 6.243 -10.286 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.913 6.483 -8.903 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.264 5.611 -5.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.627 6.407 -6.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.766 5.705 -3.675 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.647 6.104 -3.951 1.00 0.00 H new ATOM 760 N GLU A 54 -1.443 3.537 -11.213 1.00 0.00 N ATOM 761 CA GLU A 54 -0.830 2.226 -11.394 1.00 0.00 C ATOM 762 C GLU A 54 0.597 2.213 -10.854 1.00 0.00 C ATOM 763 O GLU A 54 1.528 2.656 -11.525 1.00 0.00 O ATOM 764 CB GLU A 54 -0.831 1.838 -12.874 1.00 0.00 C ATOM 765 CG GLU A 54 -0.507 0.374 -13.120 1.00 0.00 C ATOM 766 CD GLU A 54 -0.829 -0.065 -14.535 1.00 0.00 C ATOM 767 OE1 GLU A 54 -0.047 0.266 -15.451 1.00 0.00 O ATOM 768 OE2 GLU A 54 -1.863 -0.739 -14.726 1.00 0.00 O ATOM 0 H GLU A 54 -1.174 4.229 -11.912 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.418 1.498 -10.835 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.810 2.061 -13.299 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.106 2.456 -13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.551 0.202 -12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.067 -0.241 -12.416 1.00 0.00 H new ATOM 775 N GLU A 55 0.759 1.702 -9.637 1.00 0.00 N ATOM 776 CA GLU A 55 2.072 1.633 -9.007 1.00 0.00 C ATOM 777 C GLU A 55 2.222 0.345 -8.203 1.00 0.00 C ATOM 778 O GLU A 55 1.420 0.059 -7.314 1.00 0.00 O ATOM 779 CB GLU A 55 2.290 2.843 -8.097 1.00 0.00 C ATOM 780 CG GLU A 55 2.927 4.029 -8.803 1.00 0.00 C ATOM 781 CD GLU A 55 3.591 4.994 -7.840 1.00 0.00 C ATOM 782 OE1 GLU A 55 4.071 4.537 -6.782 1.00 0.00 O ATOM 783 OE2 GLU A 55 3.630 6.204 -8.145 1.00 0.00 O ATOM 0 H GLU A 55 -0.002 1.330 -9.069 1.00 0.00 H new ATOM 0 HA GLU A 55 2.825 1.640 -9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.331 3.151 -7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.921 2.548 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.667 3.667 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.165 4.559 -9.375 1.00 0.00 H new ATOM 790 N GLU A 56 3.255 -0.429 -8.522 1.00 0.00 N ATOM 791 CA GLU A 56 3.509 -1.687 -7.831 1.00 0.00 C ATOM 792 C GLU A 56 4.719 -1.566 -6.908 1.00 0.00 C ATOM 793 O GLU A 56 5.757 -1.032 -7.296 1.00 0.00 O ATOM 794 CB GLU A 56 3.735 -2.814 -8.841 1.00 0.00 C ATOM 795 CG GLU A 56 3.883 -4.184 -8.202 1.00 0.00 C ATOM 796 CD GLU A 56 2.547 -4.846 -7.924 1.00 0.00 C ATOM 797 OE1 GLU A 56 1.654 -4.171 -7.371 1.00 0.00 O ATOM 798 OE2 GLU A 56 2.396 -6.039 -8.260 1.00 0.00 O ATOM 0 H GLU A 56 3.929 -0.206 -9.254 1.00 0.00 H new ATOM 0 HA GLU A 56 2.634 -1.922 -7.226 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.899 -2.837 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.631 -2.595 -9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.472 -4.825 -8.858 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.438 -4.087 -7.269 1.00 0.00 H new ATOM 805 N ALA A 57 4.575 -2.065 -5.685 1.00 0.00 N ATOM 806 CA ALA A 57 5.655 -2.015 -4.708 1.00 0.00 C ATOM 807 C ALA A 57 6.344 -3.370 -4.580 1.00 0.00 C ATOM 808 O ALA A 57 5.709 -4.416 -4.718 1.00 0.00 O ATOM 809 CB ALA A 57 5.123 -1.562 -3.356 1.00 0.00 C ATOM 0 H ALA A 57 3.721 -2.509 -5.347 1.00 0.00 H new ATOM 0 HA ALA A 57 6.393 -1.293 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.940 -1.529 -2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.684 -0.569 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.363 -2.263 -3.011 1.00 0.00 H new ATOM 815 N THR A 58 7.647 -3.344 -4.316 1.00 0.00 N ATOM 816 CA THR A 58 8.422 -4.570 -4.172 1.00 0.00 C ATOM 817 C THR A 58 7.966 -5.368 -2.956 1.00 0.00 C ATOM 818 O THR A 58 7.717 -4.806 -1.889 1.00 0.00 O ATOM 819 CB THR A 58 9.927 -4.270 -4.041 1.00 0.00 C ATOM 820 OG1 THR A 58 10.384 -3.546 -5.189 1.00 0.00 O ATOM 821 CG2 THR A 58 10.724 -5.558 -3.897 1.00 0.00 C ATOM 0 H THR A 58 8.187 -2.487 -4.198 1.00 0.00 H new ATOM 0 HA THR A 58 8.254 -5.159 -5.073 1.00 0.00 H new ATOM 0 HB THR A 58 10.078 -3.665 -3.147 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.341 -3.358 -5.097 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.784 -5.322 -3.806 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.394 -6.093 -3.006 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.566 -6.184 -4.775 1.00 0.00 H new ATOM 829 N VAL A 59 7.860 -6.683 -3.123 1.00 0.00 N ATOM 830 CA VAL A 59 7.436 -7.559 -2.037 1.00 0.00 C ATOM 831 C VAL A 59 8.545 -8.533 -1.653 1.00 0.00 C ATOM 832 O VAL A 59 9.277 -9.026 -2.510 1.00 0.00 O ATOM 833 CB VAL A 59 6.176 -8.358 -2.420 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.915 -9.462 -1.407 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.974 -7.433 -2.536 1.00 0.00 C ATOM 0 H VAL A 59 8.062 -7.164 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 59 7.206 -6.919 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 59 6.343 -8.823 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.021 -10.015 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.768 -10.140 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.768 -9.023 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.093 -8.014 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.802 -6.938 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.165 -6.683 -3.304 1.00 0.00 H new ATOM 845 N ASN A 60 8.662 -8.806 -0.357 1.00 0.00 N ATOM 846 CA ASN A 60 9.681 -9.721 0.142 1.00 0.00 C ATOM 847 C ASN A 60 9.052 -11.022 0.631 1.00 0.00 C ATOM 848 O ASN A 60 8.700 -11.151 1.804 1.00 0.00 O ATOM 849 CB ASN A 60 10.473 -9.066 1.276 1.00 0.00 C ATOM 850 CG ASN A 60 11.887 -9.604 1.379 1.00 0.00 C ATOM 851 OD1 ASN A 60 12.668 -9.514 0.432 1.00 0.00 O ATOM 852 ND2 ASN A 60 12.222 -10.169 2.534 1.00 0.00 N ATOM 0 H ASN A 60 8.064 -8.406 0.366 1.00 0.00 H new ATOM 0 HA ASN A 60 10.359 -9.953 -0.679 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.508 -7.988 1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.954 -9.231 2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.159 -10.550 2.662 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.542 -10.222 3.292 1.00 0.00 H new ATOM 859 N ARG A 61 8.914 -11.984 -0.276 1.00 0.00 N ATOM 860 CA ARG A 61 8.327 -13.275 0.063 1.00 0.00 C ATOM 861 C ARG A 61 9.176 -14.002 1.101 1.00 0.00 C ATOM 862 O ARG A 61 8.714 -14.945 1.746 1.00 0.00 O ATOM 863 CB ARG A 61 8.185 -14.139 -1.191 1.00 0.00 C ATOM 864 CG ARG A 61 9.227 -13.842 -2.257 1.00 0.00 C ATOM 865 CD ARG A 61 8.685 -12.896 -3.318 1.00 0.00 C ATOM 866 NE ARG A 61 9.281 -13.144 -4.628 1.00 0.00 N ATOM 867 CZ ARG A 61 8.938 -12.483 -5.728 1.00 0.00 C ATOM 868 NH1 ARG A 61 8.009 -11.539 -5.676 1.00 0.00 N ATOM 869 NH2 ARG A 61 9.526 -12.766 -6.884 1.00 0.00 N ATOM 0 H ARG A 61 9.201 -11.894 -1.251 1.00 0.00 H new ATOM 0 HA ARG A 61 7.339 -13.097 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.256 -15.189 -0.908 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.192 -13.989 -1.614 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.109 -13.402 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.545 -14.773 -2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.603 -13.008 -3.385 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.881 -11.866 -3.020 1.00 0.00 H new ATOM 0 HE ARG A 61 10.000 -13.864 -4.702 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.555 -11.318 -4.790 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.748 -11.033 -6.522 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.242 -13.491 -6.928 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.262 -12.258 -7.728 1.00 0.00 H new ATOM 883 N LEU A 62 10.419 -13.559 1.258 1.00 0.00 N ATOM 884 CA LEU A 62 11.333 -14.168 2.218 1.00 0.00 C ATOM 885 C LEU A 62 10.916 -13.844 3.649 1.00 0.00 C ATOM 886 O LEU A 62 11.155 -14.627 4.567 1.00 0.00 O ATOM 887 CB LEU A 62 12.762 -13.684 1.969 1.00 0.00 C ATOM 888 CG LEU A 62 13.400 -14.122 0.650 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.600 -13.249 0.321 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.805 -15.587 0.715 1.00 0.00 C ATOM 0 H LEU A 62 10.817 -12.780 0.733 1.00 0.00 H new ATOM 0 HA LEU A 62 11.294 -15.249 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.767 -12.595 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 62 13.391 -14.035 2.787 1.00 0.00 H new ATOM 0 HG LEU A 62 12.663 -14.004 -0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.041 -13.576 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.281 -12.211 0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.340 -13.333 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.257 -15.882 -0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.525 -15.730 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.924 -16.200 0.903 1.00 0.00 H new ATOM 902 N GLN A 63 10.289 -12.686 3.829 1.00 0.00 N ATOM 903 CA GLN A 63 9.838 -12.259 5.148 1.00 0.00 C ATOM 904 C GLN A 63 8.333 -12.455 5.297 1.00 0.00 C ATOM 905 O GLN A 63 7.864 -12.993 6.300 1.00 0.00 O ATOM 906 CB GLN A 63 10.198 -10.791 5.384 1.00 0.00 C ATOM 907 CG GLN A 63 11.646 -10.579 5.797 1.00 0.00 C ATOM 908 CD GLN A 63 11.942 -9.140 6.170 1.00 0.00 C ATOM 909 OE1 GLN A 63 12.854 -8.520 5.622 1.00 0.00 O ATOM 910 NE2 GLN A 63 11.170 -8.600 7.106 1.00 0.00 N ATOM 0 H GLN A 63 10.082 -12.027 3.078 1.00 0.00 H new ATOM 0 HA GLN A 63 10.343 -12.874 5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.002 -10.226 4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.545 -10.385 6.157 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.876 -11.225 6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 63 12.301 -10.880 4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.426 -9.151 7.533 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.321 -7.634 7.397 1.00 0.00 H new ATOM 919 N SER A 64 7.580 -12.015 4.294 1.00 0.00 N ATOM 920 CA SER A 64 6.128 -12.139 4.316 1.00 0.00 C ATOM 921 C SER A 64 5.708 -13.522 4.803 1.00 0.00 C ATOM 922 O SER A 64 6.223 -14.538 4.340 1.00 0.00 O ATOM 923 CB SER A 64 5.552 -11.880 2.922 1.00 0.00 C ATOM 924 OG SER A 64 5.610 -13.047 2.121 1.00 0.00 O ATOM 0 H SER A 64 7.952 -11.569 3.455 1.00 0.00 H new ATOM 0 HA SER A 64 5.735 -11.394 5.008 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.518 -11.546 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.107 -11.076 2.439 1.00 0.00 H new ATOM 0 HG SER A 64 5.234 -12.856 1.236 1.00 0.00 H new ATOM 930 N ASN A 65 4.767 -13.551 5.742 1.00 0.00 N ATOM 931 CA ASN A 65 4.277 -14.809 6.294 1.00 0.00 C ATOM 932 C ASN A 65 2.796 -14.999 5.981 1.00 0.00 C ATOM 933 O ASN A 65 2.150 -14.113 5.424 1.00 0.00 O ATOM 934 CB ASN A 65 4.499 -14.846 7.807 1.00 0.00 C ATOM 935 CG ASN A 65 4.686 -16.258 8.329 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.687 -17.220 7.561 1.00 0.00 O ATOM 937 ND2 ASN A 65 4.845 -16.387 9.641 1.00 0.00 N ATOM 0 H ASN A 65 4.329 -12.718 6.136 1.00 0.00 H new ATOM 0 HA ASN A 65 4.835 -15.623 5.832 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.376 -14.250 8.058 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.647 -14.386 8.308 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.975 -17.312 10.050 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.837 -15.561 10.239 1.00 0.00 H new ATOM 944 N GLU A 66 2.264 -16.162 6.345 1.00 0.00 N ATOM 945 CA GLU A 66 0.859 -16.469 6.103 1.00 0.00 C ATOM 946 C GLU A 66 -0.043 -15.389 6.693 1.00 0.00 C ATOM 947 O GLU A 66 -1.147 -15.151 6.204 1.00 0.00 O ATOM 948 CB GLU A 66 0.501 -17.831 6.702 1.00 0.00 C ATOM 949 CG GLU A 66 0.365 -17.814 8.215 1.00 0.00 C ATOM 950 CD GLU A 66 1.704 -17.891 8.922 1.00 0.00 C ATOM 951 OE1 GLU A 66 2.406 -18.910 8.753 1.00 0.00 O ATOM 952 OE2 GLU A 66 2.050 -16.933 9.645 1.00 0.00 O ATOM 0 H GLU A 66 2.785 -16.907 6.808 1.00 0.00 H new ATOM 0 HA GLU A 66 0.701 -16.501 5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.436 -18.175 6.265 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.267 -18.554 6.423 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.151 -16.903 8.519 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -0.256 -18.652 8.530 1.00 0.00 H new ATOM 959 N VAL A 67 0.436 -14.738 7.749 1.00 0.00 N ATOM 960 CA VAL A 67 -0.325 -13.682 8.406 1.00 0.00 C ATOM 961 C VAL A 67 0.490 -12.399 8.509 1.00 0.00 C ATOM 962 O VAL A 67 0.269 -11.578 9.401 1.00 0.00 O ATOM 963 CB VAL A 67 -0.772 -14.108 9.817 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.976 -15.036 9.739 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.376 -14.773 10.561 1.00 0.00 C ATOM 0 H VAL A 67 1.347 -14.924 8.167 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.207 -13.499 7.793 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.066 -13.216 10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.277 -15.326 10.745 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.801 -14.521 9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.713 -15.926 9.168 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.043 -15.068 11.556 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.703 -15.656 10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.207 -14.073 10.649 1.00 0.00 H new ATOM 975 N THR A 68 1.436 -12.229 7.590 1.00 0.00 N ATOM 976 CA THR A 68 2.286 -11.046 7.578 1.00 0.00 C ATOM 977 C THR A 68 2.748 -10.715 6.163 1.00 0.00 C ATOM 978 O THR A 68 3.119 -11.605 5.397 1.00 0.00 O ATOM 979 CB THR A 68 3.522 -11.232 8.479 1.00 0.00 C ATOM 980 OG1 THR A 68 3.112 -11.465 9.831 1.00 0.00 O ATOM 981 CG2 THR A 68 4.423 -10.007 8.421 1.00 0.00 C ATOM 0 H THR A 68 1.632 -12.897 6.844 1.00 0.00 H new ATOM 0 HA THR A 68 1.685 -10.222 7.964 1.00 0.00 H new ATOM 0 HB THR A 68 4.083 -12.094 8.116 1.00 0.00 H new ATOM 0 HG1 THR A 68 3.903 -11.584 10.397 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.289 -10.161 9.065 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.757 -9.849 7.395 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.869 -9.132 8.761 1.00 0.00 H new ATOM 989 N LEU A 69 2.724 -9.432 5.823 1.00 0.00 N ATOM 990 CA LEU A 69 3.142 -8.983 4.499 1.00 0.00 C ATOM 991 C LEU A 69 4.159 -7.851 4.603 1.00 0.00 C ATOM 992 O LEU A 69 3.808 -6.712 4.909 1.00 0.00 O ATOM 993 CB LEU A 69 1.929 -8.522 3.689 1.00 0.00 C ATOM 994 CG LEU A 69 1.239 -9.593 2.844 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.029 -9.039 2.212 1.00 0.00 C ATOM 996 CD2 LEU A 69 2.184 -10.121 1.775 1.00 0.00 C ATOM 0 H LEU A 69 2.420 -8.683 6.445 1.00 0.00 H new ATOM 0 HA LEU A 69 3.613 -9.823 3.990 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.195 -8.103 4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.244 -7.714 3.029 1.00 0.00 H new ATOM 0 HG LEU A 69 0.963 -10.421 3.497 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.507 -9.815 1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.713 -8.712 2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.223 -8.193 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.675 -10.882 1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.492 -9.302 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.063 -10.557 2.250 1.00 0.00 H new ATOM 1008 N THR A 70 5.423 -8.172 4.343 1.00 0.00 N ATOM 1009 CA THR A 70 6.491 -7.183 4.407 1.00 0.00 C ATOM 1010 C THR A 70 6.837 -6.658 3.018 1.00 0.00 C ATOM 1011 O THR A 70 7.262 -7.415 2.144 1.00 0.00 O ATOM 1012 CB THR A 70 7.762 -7.769 5.052 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.430 -8.417 6.285 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.790 -6.678 5.308 1.00 0.00 C ATOM 0 H THR A 70 5.731 -9.110 4.086 1.00 0.00 H new ATOM 0 HA THR A 70 6.125 -6.362 5.023 1.00 0.00 H new ATOM 0 HB THR A 70 8.191 -8.497 4.363 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.253 -8.647 6.765 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.679 -7.115 5.764 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.061 -6.205 4.364 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.368 -5.931 5.980 1.00 0.00 H new ATOM 1022 N LEU A 71 6.653 -5.357 2.820 1.00 0.00 N ATOM 1023 CA LEU A 71 6.947 -4.729 1.537 1.00 0.00 C ATOM 1024 C LEU A 71 7.486 -3.316 1.732 1.00 0.00 C ATOM 1025 O LEU A 71 7.451 -2.773 2.837 1.00 0.00 O ATOM 1026 CB LEU A 71 5.690 -4.692 0.665 1.00 0.00 C ATOM 1027 CG LEU A 71 4.687 -3.582 0.981 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.700 -3.413 -0.163 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.954 -3.879 2.281 1.00 0.00 C ATOM 0 H LEU A 71 6.302 -4.717 3.532 1.00 0.00 H new ATOM 0 HA LEU A 71 7.712 -5.323 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.997 -4.591 -0.376 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.181 -5.651 0.756 1.00 0.00 H new ATOM 0 HG LEU A 71 5.235 -2.648 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.994 -2.619 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.240 -3.153 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.158 -4.346 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.244 -3.078 2.490 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.418 -4.824 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.674 -3.948 3.097 1.00 0.00 H new ATOM 1041 N THR A 72 7.983 -2.722 0.651 1.00 0.00 N ATOM 1042 CA THR A 72 8.528 -1.372 0.703 1.00 0.00 C ATOM 1043 C THR A 72 7.593 -0.375 0.027 1.00 0.00 C ATOM 1044 O THR A 72 7.479 -0.349 -1.198 1.00 0.00 O ATOM 1045 CB THR A 72 9.912 -1.298 0.030 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.759 -2.336 0.537 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.560 0.056 0.273 1.00 0.00 C ATOM 0 H THR A 72 8.019 -3.156 -0.271 1.00 0.00 H new ATOM 0 HA THR A 72 8.630 -1.113 1.757 1.00 0.00 H new ATOM 0 HB THR A 72 9.777 -1.431 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.636 -2.283 0.103 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.536 0.085 -0.212 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.927 0.842 -0.140 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.682 0.214 1.345 1.00 0.00 H new ATOM 1055 N VAL A 73 6.927 0.445 0.833 1.00 0.00 N ATOM 1056 CA VAL A 73 6.003 1.445 0.313 1.00 0.00 C ATOM 1057 C VAL A 73 6.491 2.004 -1.019 1.00 0.00 C ATOM 1058 O VAL A 73 7.670 2.314 -1.196 1.00 0.00 O ATOM 1059 CB VAL A 73 5.815 2.607 1.306 1.00 0.00 C ATOM 1060 CG1 VAL A 73 4.804 3.609 0.771 1.00 0.00 C ATOM 1061 CG2 VAL A 73 5.388 2.080 2.667 1.00 0.00 C ATOM 0 H VAL A 73 7.010 0.436 1.850 1.00 0.00 H new ATOM 0 HA VAL A 73 5.046 0.945 0.166 1.00 0.00 H new ATOM 0 HB VAL A 73 6.770 3.120 1.424 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.685 4.423 1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.157 4.010 -0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.845 3.114 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.260 2.914 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.445 1.542 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.153 1.405 3.052 1.00 0.00 H new ATOM 1071 N PRO A 74 5.565 2.136 -1.981 1.00 0.00 N ATOM 1072 CA PRO A 74 5.878 2.659 -3.314 1.00 0.00 C ATOM 1073 C PRO A 74 6.207 4.148 -3.290 1.00 0.00 C ATOM 1074 O PRO A 74 5.994 4.823 -2.284 1.00 0.00 O ATOM 1075 CB PRO A 74 4.591 2.409 -4.104 1.00 0.00 C ATOM 1076 CG PRO A 74 3.515 2.374 -3.073 1.00 0.00 C ATOM 1077 CD PRO A 74 4.142 1.786 -1.840 1.00 0.00 C ATOM 0 HA PRO A 74 6.758 2.180 -3.743 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.415 3.199 -4.834 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.641 1.470 -4.656 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.131 3.375 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.672 1.769 -3.409 1.00 0.00 H new ATOM 0 HD2 PRO A 74 3.713 2.207 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 74 3.997 0.707 -1.791 1.00 0.00 H new ATOM 1085 N GLU A 75 6.727 4.652 -4.405 1.00 0.00 N ATOM 1086 CA GLU A 75 7.086 6.061 -4.510 1.00 0.00 C ATOM 1087 C GLU A 75 5.936 6.873 -5.100 1.00 0.00 C ATOM 1088 O GLU A 75 5.549 6.676 -6.252 1.00 0.00 O ATOM 1089 CB GLU A 75 8.338 6.228 -5.374 1.00 0.00 C ATOM 1090 CG GLU A 75 9.610 5.735 -4.705 1.00 0.00 C ATOM 1091 CD GLU A 75 10.671 5.317 -5.704 1.00 0.00 C ATOM 1092 OE1 GLU A 75 10.523 4.233 -6.306 1.00 0.00 O ATOM 1093 OE2 GLU A 75 11.648 6.074 -5.883 1.00 0.00 O ATOM 0 H GLU A 75 6.909 4.106 -5.247 1.00 0.00 H new ATOM 0 HA GLU A 75 7.293 6.433 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.197 5.688 -6.310 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.456 7.281 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 75 10.009 6.523 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.372 4.890 -4.059 1.00 0.00 H new ATOM 1100 N TYR A 76 5.394 7.785 -4.301 1.00 0.00 N ATOM 1101 CA TYR A 76 4.286 8.625 -4.741 1.00 0.00 C ATOM 1102 C TYR A 76 4.653 9.389 -6.010 1.00 0.00 C ATOM 1103 O TYR A 76 5.732 9.972 -6.106 1.00 0.00 O ATOM 1104 CB TYR A 76 3.892 9.607 -3.637 1.00 0.00 C ATOM 1105 CG TYR A 76 2.514 10.201 -3.818 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.413 9.390 -4.061 1.00 0.00 C ATOM 1107 CD2 TYR A 76 2.313 11.574 -3.746 1.00 0.00 C ATOM 1108 CE1 TYR A 76 0.152 9.929 -4.228 1.00 0.00 C ATOM 1109 CE2 TYR A 76 1.055 12.122 -3.911 1.00 0.00 C ATOM 1110 CZ TYR A 76 -0.022 11.295 -4.152 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.276 11.836 -4.317 1.00 0.00 O ATOM 0 H TYR A 76 5.704 7.962 -3.345 1.00 0.00 H new ATOM 0 HA TYR A 76 3.437 7.977 -4.961 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.934 9.096 -2.675 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.624 10.414 -3.602 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.545 8.320 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.154 12.224 -3.558 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -0.693 9.284 -4.417 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.916 13.191 -3.852 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.947 11.223 -3.950 1.00 0.00 H new ATOM 1121 N SER A 77 3.745 9.382 -6.980 1.00 0.00 N ATOM 1122 CA SER A 77 3.972 10.072 -8.245 1.00 0.00 C ATOM 1123 C SER A 77 4.360 11.528 -8.007 1.00 0.00 C ATOM 1124 O SER A 77 5.439 11.967 -8.404 1.00 0.00 O ATOM 1125 CB SER A 77 2.720 10.002 -9.121 1.00 0.00 C ATOM 1126 OG SER A 77 3.004 10.404 -10.450 1.00 0.00 O ATOM 0 H SER A 77 2.845 8.906 -6.915 1.00 0.00 H new ATOM 0 HA SER A 77 4.794 9.574 -8.760 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.329 8.985 -9.121 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.943 10.642 -8.702 1.00 0.00 H new ATOM 0 HG SER A 77 2.188 10.349 -10.990 1.00 0.00 H new ATOM 1132 N ASN A 78 3.471 12.272 -7.358 1.00 0.00 N ATOM 1133 CA ASN A 78 3.718 13.680 -7.067 1.00 0.00 C ATOM 1134 C ASN A 78 4.538 13.835 -5.790 1.00 0.00 C ATOM 1135 O ASN A 78 3.989 13.907 -4.691 1.00 0.00 O ATOM 1136 CB ASN A 78 2.394 14.434 -6.931 1.00 0.00 C ATOM 1137 CG ASN A 78 2.513 15.889 -7.345 1.00 0.00 C ATOM 1138 OD1 ASN A 78 3.595 16.474 -7.294 1.00 0.00 O ATOM 1139 ND2 ASN A 78 1.397 16.479 -7.757 1.00 0.00 N ATOM 0 H ASN A 78 2.573 11.924 -7.023 1.00 0.00 H new ATOM 0 HA ASN A 78 4.285 14.103 -7.896 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.636 13.945 -7.543 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.052 14.380 -5.897 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.414 17.457 -8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.522 15.955 -7.783 1.00 0.00 H new ATOM 1146 N LYS A 79 5.857 13.888 -5.944 1.00 0.00 N ATOM 1147 CA LYS A 79 6.755 14.037 -4.805 1.00 0.00 C ATOM 1148 C LYS A 79 7.031 15.510 -4.518 1.00 0.00 C ATOM 1149 O LYS A 79 6.901 15.965 -3.382 1.00 0.00 O ATOM 1150 CB LYS A 79 8.072 13.303 -5.067 1.00 0.00 C ATOM 1151 CG LYS A 79 7.998 11.809 -4.802 1.00 0.00 C ATOM 1152 CD LYS A 79 9.380 11.209 -4.602 1.00 0.00 C ATOM 1153 CE LYS A 79 9.430 9.759 -5.058 1.00 0.00 C ATOM 1154 NZ LYS A 79 10.827 9.250 -5.136 1.00 0.00 N ATOM 0 H LYS A 79 6.328 13.830 -6.847 1.00 0.00 H new ATOM 0 HA LYS A 79 6.269 13.599 -3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.369 13.466 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.851 13.737 -4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.389 11.625 -3.917 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.503 11.314 -5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.115 11.792 -5.158 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.655 11.270 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 79 8.856 9.141 -4.367 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.956 9.669 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.814 8.229 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.335 9.744 -5.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.310 9.421 -4.231 1.00 0.00 H new ATOM 1168 N ARG A 80 7.410 16.249 -5.556 1.00 0.00 N ATOM 1169 CA ARG A 80 7.703 17.670 -5.415 1.00 0.00 C ATOM 1170 C ARG A 80 6.777 18.317 -4.389 1.00 0.00 C ATOM 1171 O ARG A 80 7.187 19.202 -3.638 1.00 0.00 O ATOM 1172 CB ARG A 80 7.561 18.378 -6.764 1.00 0.00 C ATOM 1173 CG ARG A 80 6.182 18.231 -7.387 1.00 0.00 C ATOM 1174 CD ARG A 80 6.151 18.778 -8.805 1.00 0.00 C ATOM 1175 NE ARG A 80 5.874 20.212 -8.833 1.00 0.00 N ATOM 1176 CZ ARG A 80 6.090 20.981 -9.894 1.00 0.00 C ATOM 1177 NH1 ARG A 80 6.583 20.457 -11.008 1.00 0.00 N ATOM 1178 NH2 ARG A 80 5.813 22.278 -9.842 1.00 0.00 N ATOM 0 H ARG A 80 7.521 15.887 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 80 8.731 17.771 -5.066 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.780 19.438 -6.633 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.306 17.981 -7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.895 17.179 -7.395 1.00 0.00 H new ATOM 0 HG3 ARG A 80 5.448 18.757 -6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.108 18.584 -9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.390 18.251 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 80 5.494 20.646 -7.992 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.797 19.461 -11.052 1.00 0.00 H new ATOM 0 HH12 ARG A 80 6.748 21.050 -11.821 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.434 22.685 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.979 22.868 -10.657 1.00 0.00 H new ATOM 1192 N VAL A 81 5.526 17.869 -4.364 1.00 0.00 N ATOM 1193 CA VAL A 81 4.542 18.404 -3.430 1.00 0.00 C ATOM 1194 C VAL A 81 5.179 18.723 -2.083 1.00 0.00 C ATOM 1195 O VAL A 81 6.080 18.019 -1.628 1.00 0.00 O ATOM 1196 CB VAL A 81 3.379 17.417 -3.214 1.00 0.00 C ATOM 1197 CG1 VAL A 81 2.713 17.079 -4.539 1.00 0.00 C ATOM 1198 CG2 VAL A 81 3.872 16.157 -2.519 1.00 0.00 C ATOM 0 H VAL A 81 5.170 17.137 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 81 4.153 19.322 -3.871 1.00 0.00 H new ATOM 0 HB VAL A 81 2.637 17.892 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.894 16.381 -4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.324 17.990 -4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.443 16.624 -5.208 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.037 15.471 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.634 15.677 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.298 16.419 -1.551 1.00 0.00 H new ATOM 1208 N SER A 82 4.705 19.791 -1.448 1.00 0.00 N ATOM 1209 CA SER A 82 5.231 20.206 -0.153 1.00 0.00 C ATOM 1210 C SER A 82 4.195 19.996 0.947 1.00 0.00 C ATOM 1211 O SER A 82 4.334 20.517 2.054 1.00 0.00 O ATOM 1212 CB SER A 82 5.652 21.676 -0.198 1.00 0.00 C ATOM 1213 OG SER A 82 6.719 21.929 0.700 1.00 0.00 O ATOM 0 H SER A 82 3.958 20.384 -1.810 1.00 0.00 H new ATOM 0 HA SER A 82 6.103 19.592 0.071 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.955 21.940 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.802 22.309 0.055 1.00 0.00 H new ATOM 0 HG SER A 82 6.970 22.875 0.651 1.00 0.00 H new ATOM 1219 N ARG A 83 3.155 19.229 0.634 1.00 0.00 N ATOM 1220 CA ARG A 83 2.094 18.951 1.594 1.00 0.00 C ATOM 1221 C ARG A 83 1.751 17.464 1.609 1.00 0.00 C ATOM 1222 O ARG A 83 1.921 16.753 0.618 1.00 0.00 O ATOM 1223 CB ARG A 83 0.846 19.770 1.259 1.00 0.00 C ATOM 1224 CG ARG A 83 1.058 21.271 1.363 1.00 0.00 C ATOM 1225 CD ARG A 83 0.759 21.781 2.765 1.00 0.00 C ATOM 1226 NE ARG A 83 1.270 23.132 2.976 1.00 0.00 N ATOM 1227 CZ ARG A 83 2.524 23.398 3.324 1.00 0.00 C ATOM 1228 NH1 ARG A 83 3.391 22.409 3.497 1.00 0.00 N ATOM 1229 NH2 ARG A 83 2.914 24.654 3.498 1.00 0.00 N ATOM 0 H ARG A 83 3.025 18.789 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 83 2.451 19.234 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.522 19.526 0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.039 19.478 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.087 21.513 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.416 21.781 0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.318 21.770 2.933 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.202 21.107 3.498 1.00 0.00 H new ATOM 0 HE ARG A 83 0.629 23.915 2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.095 21.442 3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.353 22.615 3.764 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.251 25.417 3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.877 24.857 3.765 1.00 0.00 H new ATOM 1243 N PRO A 84 1.257 16.982 2.759 1.00 0.00 N ATOM 1244 CA PRO A 84 0.880 15.576 2.930 1.00 0.00 C ATOM 1245 C PRO A 84 -0.363 15.207 2.128 1.00 0.00 C ATOM 1246 O PRO A 84 -1.391 15.880 2.212 1.00 0.00 O ATOM 1247 CB PRO A 84 0.600 15.464 4.431 1.00 0.00 C ATOM 1248 CG PRO A 84 0.228 16.844 4.851 1.00 0.00 C ATOM 1249 CD PRO A 84 1.028 17.772 3.980 1.00 0.00 C ATOM 0 HA PRO A 84 1.658 14.900 2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.206 14.758 4.632 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.477 15.108 4.972 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.841 17.015 4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.455 17.006 5.905 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.484 18.692 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.966 18.059 4.455 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.263 14.134 1.350 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.380 13.675 0.534 1.00 0.00 C ATOM 1259 C VAL A 85 -2.010 12.417 1.122 1.00 0.00 C ATOM 1260 O VAL A 85 -1.325 11.595 1.729 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.936 13.385 -0.913 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -2.127 12.974 -1.765 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.237 14.598 -1.508 1.00 0.00 C ATOM 0 H VAL A 85 0.580 13.566 1.268 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.117 14.478 0.526 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.228 12.557 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.794 12.773 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.580 12.075 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.862 13.779 -1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.070 14.376 -2.530 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.921 15.447 -1.511 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.641 14.841 -0.910 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.318 12.275 0.936 1.00 0.00 N ATOM 1274 CA GLN A 86 -4.041 11.117 1.449 1.00 0.00 C ATOM 1275 C GLN A 86 -4.281 10.093 0.345 1.00 0.00 C ATOM 1276 O GLN A 86 -4.890 10.400 -0.680 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.376 11.551 2.057 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.307 10.391 2.371 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.967 9.708 3.681 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -5.304 10.286 4.543 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -6.421 8.470 3.839 1.00 0.00 N ATOM 0 H GLN A 86 -3.899 12.947 0.434 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.431 10.653 2.224 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.184 12.110 2.973 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.876 12.231 1.367 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.334 10.755 2.411 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.258 9.662 1.562 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.967 8.029 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.224 7.961 4.700 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.798 8.873 0.561 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.961 7.803 -0.415 1.00 0.00 C ATOM 1292 C VAL A 87 -4.547 6.553 0.232 1.00 0.00 C ATOM 1293 O VAL A 87 -4.771 6.515 1.442 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.620 7.442 -1.081 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -2.008 8.664 -1.747 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.662 6.845 -0.061 1.00 0.00 C ATOM 0 H VAL A 87 -3.291 8.602 1.403 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.649 8.171 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.807 6.694 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.061 8.389 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.690 9.043 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.834 9.437 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.720 6.596 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.479 7.569 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.100 5.942 0.365 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.792 5.532 -0.582 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.354 4.280 -0.089 1.00 0.00 C ATOM 1308 C TYR A 88 -4.748 3.086 -0.819 1.00 0.00 C ATOM 1309 O TYR A 88 -4.434 3.163 -2.007 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.875 4.278 -0.258 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.565 5.420 0.453 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.705 6.660 -0.157 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.078 5.257 1.734 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.334 7.706 0.490 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.711 6.297 2.387 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.836 7.520 1.761 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.464 8.560 2.408 1.00 0.00 O ATOM 0 H TYR A 88 -4.610 5.547 -1.586 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.113 4.195 0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.114 4.325 -1.320 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.272 3.335 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.316 6.809 -1.153 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.980 4.301 2.227 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.432 8.665 0.003 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.106 6.153 3.382 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.760 8.263 3.294 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.586 1.980 -0.099 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.017 0.768 -0.677 1.00 0.00 C ATOM 1329 C PHE A 89 -4.794 -0.466 -0.226 1.00 0.00 C ATOM 1330 O PHE A 89 -5.622 -0.394 0.682 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.546 0.631 -0.281 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.325 0.599 1.204 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.432 -0.590 1.908 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.009 1.757 1.896 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.230 -0.622 3.275 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.805 1.731 3.263 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.915 0.539 3.953 1.00 0.00 C ATOM 0 H PHE A 89 -4.841 1.898 0.885 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.088 0.844 -1.762 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.144 -0.282 -0.720 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.985 1.463 -0.706 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.676 -1.502 1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.921 2.691 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.318 -1.555 3.813 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.560 2.641 3.791 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.755 0.515 5.021 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.521 -1.596 -0.868 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.195 -2.845 -0.535 1.00 0.00 C ATOM 1349 C TYR A 90 -4.430 -4.042 -1.094 1.00 0.00 C ATOM 1350 O TYR A 90 -3.503 -3.886 -1.888 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.624 -2.839 -1.081 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.695 -2.773 -2.590 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.546 -1.565 -3.260 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.910 -3.919 -3.346 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.611 -1.500 -4.639 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.976 -3.863 -4.725 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.826 -2.652 -5.366 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.890 -2.591 -6.740 1.00 0.00 O ATOM 0 H TYR A 90 -3.838 -1.673 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.228 -2.932 0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.138 -3.738 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.160 -1.987 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.376 -0.661 -2.693 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -7.028 -4.870 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.494 -0.553 -5.144 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.144 -4.763 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.045 -3.489 -7.100 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.827 -5.239 -0.672 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.182 -6.463 -1.130 1.00 0.00 C ATOM 1370 C VAL A 91 -5.055 -7.200 -2.139 1.00 0.00 C ATOM 1371 O VAL A 91 -6.210 -7.522 -1.859 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.870 -7.407 0.047 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -3.185 -8.671 -0.449 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -3.012 -6.698 1.084 1.00 0.00 C ATOM 0 H VAL A 91 -5.592 -5.386 -0.014 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.248 -6.168 -1.608 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.810 -7.694 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.973 -9.325 0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.839 -9.187 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.252 -8.408 -0.947 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.801 -7.379 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.075 -6.381 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.545 -5.825 1.462 1.00 0.00 H new ATOM 1384 N SER A 92 -4.496 -7.464 -3.316 1.00 0.00 N ATOM 1385 CA SER A 92 -5.224 -8.160 -4.369 1.00 0.00 C ATOM 1386 C SER A 92 -4.710 -9.587 -4.534 1.00 0.00 C ATOM 1387 O SER A 92 -3.579 -9.804 -4.967 1.00 0.00 O ATOM 1388 CB SER A 92 -5.096 -7.404 -5.693 1.00 0.00 C ATOM 1389 OG SER A 92 -3.757 -7.004 -5.924 1.00 0.00 O ATOM 0 H SER A 92 -3.541 -7.206 -3.564 1.00 0.00 H new ATOM 0 HA SER A 92 -6.275 -8.202 -4.083 1.00 0.00 H new ATOM 0 HB2 SER A 92 -5.436 -8.038 -6.512 1.00 0.00 H new ATOM 0 HB3 SER A 92 -5.744 -6.527 -5.679 1.00 0.00 H new ATOM 0 HG SER A 92 -3.701 -6.524 -6.777 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.549 -10.557 -4.186 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.180 -11.963 -4.294 1.00 0.00 C ATOM 1397 C ASN A 93 -6.185 -12.725 -5.154 1.00 0.00 C ATOM 1398 O ASN A 93 -7.271 -13.075 -4.694 1.00 0.00 O ATOM 1399 CB ASN A 93 -5.096 -12.599 -2.905 1.00 0.00 C ATOM 1400 CG ASN A 93 -3.972 -12.015 -2.070 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -2.876 -11.765 -2.572 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -4.241 -11.797 -0.788 1.00 0.00 N ATOM 0 H ASN A 93 -6.490 -10.395 -3.827 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.202 -12.020 -4.772 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.043 -12.457 -2.385 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -4.948 -13.674 -3.009 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.525 -11.407 -0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.164 -12.020 -0.416 1.00 0.00 H new ATOM 1409 N GLY A 94 -5.813 -12.978 -6.405 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.692 -13.697 -7.309 1.00 0.00 C ATOM 1411 C GLY A 94 -7.392 -12.777 -8.290 1.00 0.00 C ATOM 1412 O GLY A 94 -6.745 -12.015 -9.008 1.00 0.00 O ATOM 0 H GLY A 94 -4.919 -12.698 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.114 -14.439 -7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.438 -14.241 -6.730 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.719 -12.849 -8.321 1.00 0.00 N ATOM 1417 CA ARG A 95 -9.508 -12.019 -9.223 1.00 0.00 C ATOM 1418 C ARG A 95 -10.460 -11.119 -8.441 1.00 0.00 C ATOM 1419 O ARG A 95 -10.412 -9.894 -8.561 1.00 0.00 O ATOM 1420 CB ARG A 95 -10.300 -12.894 -10.196 1.00 0.00 C ATOM 1421 CG ARG A 95 -9.470 -13.421 -11.355 1.00 0.00 C ATOM 1422 CD ARG A 95 -10.319 -13.621 -12.601 1.00 0.00 C ATOM 1423 NE ARG A 95 -10.776 -12.353 -13.162 1.00 0.00 N ATOM 1424 CZ ARG A 95 -9.982 -11.507 -13.809 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -8.698 -11.793 -13.976 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -10.472 -10.372 -14.290 1.00 0.00 N ATOM 0 H ARG A 95 -9.270 -13.473 -7.732 1.00 0.00 H new ATOM 0 HA ARG A 95 -8.822 -11.389 -9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.724 -13.737 -9.651 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -11.136 -12.318 -10.592 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.661 -12.723 -11.572 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.007 -14.367 -11.073 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -9.741 -14.161 -13.351 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -11.182 -14.241 -12.356 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.759 -12.103 -13.051 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.317 -12.665 -13.607 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -8.091 -11.141 -14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -11.459 -10.148 -14.163 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.862 -9.723 -14.787 1.00 0.00 H new ATOM 1440 N ARG A 96 -11.324 -11.734 -7.641 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.289 -10.989 -6.841 1.00 0.00 C ATOM 1442 C ARG A 96 -11.899 -11.006 -5.365 1.00 0.00 C ATOM 1443 O ARG A 96 -12.331 -10.155 -4.588 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.691 -11.576 -7.016 1.00 0.00 C ATOM 1445 CG ARG A 96 -14.431 -11.032 -8.227 1.00 0.00 C ATOM 1446 CD ARG A 96 -15.623 -11.905 -8.588 1.00 0.00 C ATOM 1447 NE ARG A 96 -16.188 -11.548 -9.887 1.00 0.00 N ATOM 1448 CZ ARG A 96 -15.709 -11.991 -11.044 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -14.662 -12.804 -11.064 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -16.278 -11.622 -12.184 1.00 0.00 N ATOM 0 H ARG A 96 -11.376 -12.747 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.290 -9.956 -7.188 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.614 -12.660 -7.104 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -14.277 -11.370 -6.120 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -14.771 -10.017 -8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.750 -10.975 -9.076 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.316 -12.951 -8.601 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -16.390 -11.807 -7.820 1.00 0.00 H new ATOM 0 HE ARG A 96 -16.995 -10.924 -9.907 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.222 -13.091 -10.189 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.296 -13.143 -11.954 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.084 -10.997 -12.173 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.909 -11.963 -13.072 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.082 -11.982 -4.986 1.00 0.00 N ATOM 1465 CA LYS A 97 -10.633 -12.111 -3.605 1.00 0.00 C ATOM 1466 C LYS A 97 -9.561 -11.075 -3.282 1.00 0.00 C ATOM 1467 O LYS A 97 -8.400 -11.229 -3.661 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.087 -13.519 -3.353 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.165 -14.588 -3.296 1.00 0.00 C ATOM 1470 CD LYS A 97 -11.415 -15.202 -4.663 1.00 0.00 C ATOM 1471 CE LYS A 97 -10.523 -16.410 -4.902 1.00 0.00 C ATOM 1472 NZ LYS A 97 -10.385 -16.720 -6.352 1.00 0.00 N ATOM 0 H LYS A 97 -10.717 -12.696 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.490 -11.938 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.378 -13.771 -4.142 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.534 -13.522 -2.414 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.868 -15.368 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.090 -14.153 -2.917 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -12.461 -15.499 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -11.234 -14.456 -5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -9.537 -16.224 -4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.937 -17.275 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -9.770 -17.550 -6.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.322 -16.923 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -9.967 -15.904 -6.843 1.00 0.00 H new ATOM 1486 N ARG A 98 -9.959 -10.020 -2.578 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.032 -8.958 -2.204 1.00 0.00 C ATOM 1488 C ARG A 98 -9.435 -8.328 -0.874 1.00 0.00 C ATOM 1489 O ARG A 98 -10.464 -8.679 -0.296 1.00 0.00 O ATOM 1490 CB ARG A 98 -8.985 -7.886 -3.294 1.00 0.00 C ATOM 1491 CG ARG A 98 -10.356 -7.483 -3.813 1.00 0.00 C ATOM 1492 CD ARG A 98 -10.956 -6.358 -2.985 1.00 0.00 C ATOM 1493 NE ARG A 98 -12.299 -6.002 -3.437 1.00 0.00 N ATOM 1494 CZ ARG A 98 -13.135 -5.248 -2.733 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -12.769 -4.772 -1.551 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -14.341 -4.968 -3.212 1.00 0.00 N ATOM 0 H ARG A 98 -10.916 -9.878 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.041 -9.398 -2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.481 -7.003 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.384 -8.253 -4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -10.274 -7.167 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.022 -8.346 -3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -10.994 -6.659 -1.938 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -10.310 -5.482 -3.042 1.00 0.00 H new ATOM 0 HE ARG A 98 -12.611 -6.352 -4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -11.843 -4.985 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.413 -4.193 -1.013 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.626 -5.332 -4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -14.983 -4.389 -2.671 1.00 0.00 H new ATOM 1510 N SER A 99 -8.616 -7.398 -0.393 1.00 0.00 N ATOM 1511 CA SER A 99 -8.884 -6.723 0.871 1.00 0.00 C ATOM 1512 C SER A 99 -9.380 -5.300 0.633 1.00 0.00 C ATOM 1513 O SER A 99 -9.082 -4.674 -0.385 1.00 0.00 O ATOM 1514 CB SER A 99 -7.624 -6.698 1.738 1.00 0.00 C ATOM 1515 OG SER A 99 -7.602 -5.552 2.572 1.00 0.00 O ATOM 0 H SER A 99 -7.761 -7.095 -0.860 1.00 0.00 H new ATOM 0 HA SER A 99 -9.664 -7.278 1.392 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.582 -7.599 2.351 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.740 -6.705 1.101 1.00 0.00 H new ATOM 0 HG SER A 99 -6.736 -5.102 2.487 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.156 -4.776 1.593 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.710 -3.421 1.512 1.00 0.00 C ATOM 1523 C PRO A 100 -9.637 -2.347 1.655 1.00 0.00 C ATOM 1524 O PRO A 100 -8.669 -2.516 2.397 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.684 -3.365 2.691 1.00 0.00 C ATOM 1526 CG PRO A 100 -11.164 -4.369 3.660 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.551 -5.465 2.833 1.00 0.00 C ATOM 0 HA PRO A 100 -11.177 -3.228 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.715 -2.369 3.132 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.700 -3.607 2.377 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.425 -3.923 4.325 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.966 -4.756 4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.693 -5.914 3.334 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.263 -6.267 2.638 1.00 0.00 H new ATOM 1535 N THR A 101 -9.815 -1.240 0.941 1.00 0.00 N ATOM 1536 CA THR A 101 -8.862 -0.138 0.988 1.00 0.00 C ATOM 1537 C THR A 101 -8.653 0.347 2.418 1.00 0.00 C ATOM 1538 O THR A 101 -9.547 0.238 3.256 1.00 0.00 O ATOM 1539 CB THR A 101 -9.329 1.046 0.119 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.706 1.335 0.384 1.00 0.00 O ATOM 1541 CG2 THR A 101 -9.145 0.738 -1.359 1.00 0.00 C ATOM 0 H THR A 101 -10.611 -1.083 0.323 1.00 0.00 H new ATOM 0 HA THR A 101 -7.919 -0.518 0.595 1.00 0.00 H new ATOM 0 HB THR A 101 -8.721 1.915 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.995 2.090 -0.171 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.481 1.588 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.091 0.548 -1.563 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.730 -0.143 -1.623 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.467 0.883 2.688 1.00 0.00 N ATOM 1550 CA GLN A 102 -7.142 1.385 4.018 1.00 0.00 C ATOM 1551 C GLN A 102 -6.735 2.853 3.961 1.00 0.00 C ATOM 1552 O GLN A 102 -6.028 3.277 3.046 1.00 0.00 O ATOM 1553 CB GLN A 102 -6.016 0.555 4.638 1.00 0.00 C ATOM 1554 CG GLN A 102 -6.394 -0.897 4.882 1.00 0.00 C ATOM 1555 CD GLN A 102 -7.609 -1.041 5.777 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -7.638 -0.521 6.893 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -8.622 -1.750 5.292 1.00 0.00 N ATOM 0 H GLN A 102 -6.716 0.981 2.005 1.00 0.00 H new ATOM 0 HA GLN A 102 -8.033 1.298 4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.146 0.590 3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.720 1.009 5.584 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.592 -1.383 3.926 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.550 -1.417 5.335 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.556 -2.164 4.362 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -9.466 -1.881 5.850 1.00 0.00 H new ATOM 1566 N SER A 103 -7.185 3.626 4.945 1.00 0.00 N ATOM 1567 CA SER A 103 -6.871 5.048 5.004 1.00 0.00 C ATOM 1568 C SER A 103 -5.382 5.266 5.254 1.00 0.00 C ATOM 1569 O SER A 103 -4.844 4.843 6.278 1.00 0.00 O ATOM 1570 CB SER A 103 -7.689 5.727 6.105 1.00 0.00 C ATOM 1571 OG SER A 103 -7.874 7.104 5.827 1.00 0.00 O ATOM 0 H SER A 103 -7.768 3.291 5.712 1.00 0.00 H new ATOM 0 HA SER A 103 -7.129 5.492 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.659 5.238 6.196 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.182 5.611 7.063 1.00 0.00 H new ATOM 0 HG SER A 103 -8.401 7.515 6.544 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.721 5.929 4.311 1.00 0.00 N ATOM 1578 CA PHE A 104 -3.293 6.203 4.427 1.00 0.00 C ATOM 1579 C PHE A 104 -2.985 7.650 4.055 1.00 0.00 C ATOM 1580 O PHE A 104 -3.803 8.331 3.436 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.496 5.253 3.530 1.00 0.00 C ATOM 1582 CG PHE A 104 -1.085 5.033 3.996 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.830 4.496 5.248 1.00 0.00 C ATOM 1584 CD2 PHE A 104 -0.013 5.361 3.181 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.467 4.293 5.679 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.286 5.160 3.607 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.527 4.624 4.857 1.00 0.00 C ATOM 0 H PHE A 104 -5.151 6.287 3.458 1.00 0.00 H new ATOM 0 HA PHE A 104 -3.001 6.043 5.465 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.009 4.293 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.477 5.653 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.655 4.233 5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.195 5.778 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 104 0.652 3.876 6.658 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.112 5.422 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.542 4.464 5.191 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.800 8.114 4.438 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.384 9.480 4.147 1.00 0.00 C ATOM 1599 C ARG A 105 0.137 9.583 4.080 1.00 0.00 C ATOM 1600 O ARG A 105 0.842 9.113 4.974 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.924 10.438 5.211 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.375 11.850 5.094 1.00 0.00 C ATOM 1603 CD ARG A 105 -1.997 12.777 6.127 1.00 0.00 C ATOM 1604 NE ARG A 105 -1.511 12.500 7.475 1.00 0.00 N ATOM 1605 CZ ARG A 105 -2.030 13.044 8.570 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.046 13.891 8.476 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -1.533 12.742 9.763 1.00 0.00 N ATOM 0 H ARG A 105 -1.111 7.564 4.951 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.793 9.758 3.176 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -3.011 10.473 5.138 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.683 10.044 6.198 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.293 11.833 5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.570 12.236 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.773 13.812 5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -3.081 12.670 6.104 1.00 0.00 H new ATOM 0 HE ARG A 105 -0.730 11.853 7.582 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -3.431 14.126 7.561 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -3.443 14.307 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -0.751 12.091 9.840 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.933 13.161 10.603 1.00 0.00 H new ATOM 1621 N PHE A 106 0.637 10.200 3.015 1.00 0.00 N ATOM 1622 CA PHE A 106 2.074 10.363 2.830 1.00 0.00 C ATOM 1623 C PHE A 106 2.541 11.715 3.360 1.00 0.00 C ATOM 1624 O PHE A 106 1.988 12.758 3.007 1.00 0.00 O ATOM 1625 CB PHE A 106 2.438 10.230 1.349 1.00 0.00 C ATOM 1626 CG PHE A 106 2.233 8.846 0.804 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.886 7.761 1.365 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.386 8.629 -0.272 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.699 6.486 0.866 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.195 7.357 -0.776 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.853 6.284 -0.207 1.00 0.00 C ATOM 0 H PHE A 106 0.068 10.596 2.267 1.00 0.00 H new ATOM 0 HA PHE A 106 2.578 9.578 3.393 1.00 0.00 H new ATOM 0 HB2 PHE A 106 1.837 10.932 0.771 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.481 10.515 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.550 7.913 2.203 1.00 0.00 H new ATOM 0 HD2 PHE A 106 0.869 9.464 -0.721 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.213 5.649 1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.532 7.202 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.706 5.289 -0.600 1.00 0.00 H new ATOM 1641 N LEU A 107 3.562 11.690 4.210 1.00 0.00 N ATOM 1642 CA LEU A 107 4.104 12.913 4.791 1.00 0.00 C ATOM 1643 C LEU A 107 5.324 13.392 4.012 1.00 0.00 C ATOM 1644 O LEU A 107 6.143 12.600 3.545 1.00 0.00 O ATOM 1645 CB LEU A 107 4.478 12.683 6.257 1.00 0.00 C ATOM 1646 CG LEU A 107 3.401 12.041 7.132 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.003 11.535 8.433 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.280 13.031 7.410 1.00 0.00 C ATOM 0 H LEU A 107 4.031 10.836 4.512 1.00 0.00 H new ATOM 0 HA LEU A 107 3.335 13.684 4.735 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.367 12.053 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 107 4.750 13.643 6.696 1.00 0.00 H new ATOM 0 HG LEU A 107 2.982 11.190 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.222 11.081 9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.770 10.792 8.214 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.449 12.368 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 107 1.522 12.557 8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 107 2.683 13.902 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.830 13.345 6.468 1.00 0.00 H new ATOM 1660 N PRO A 108 5.452 14.719 3.869 1.00 0.00 N ATOM 1661 CA PRO A 108 6.572 15.334 3.149 1.00 0.00 C ATOM 1662 C PRO A 108 7.892 15.188 3.897 1.00 0.00 C ATOM 1663 O PRO A 108 7.961 15.419 5.105 1.00 0.00 O ATOM 1664 CB PRO A 108 6.168 16.807 3.057 1.00 0.00 C ATOM 1665 CG PRO A 108 5.249 17.021 4.209 1.00 0.00 C ATOM 1666 CD PRO A 108 4.514 15.723 4.399 1.00 0.00 C ATOM 0 HA PRO A 108 6.742 14.864 2.180 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.038 17.461 3.118 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.673 17.023 2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.805 17.290 5.107 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.555 17.837 4.008 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.283 15.542 5.449 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.568 15.714 3.858 1.00 0.00 H new ATOM 1674 N VAL A 109 8.939 14.805 3.173 1.00 0.00 N ATOM 1675 CA VAL A 109 10.258 14.631 3.769 1.00 0.00 C ATOM 1676 C VAL A 109 11.012 15.955 3.832 1.00 0.00 C ATOM 1677 O VAL A 109 11.820 16.177 4.735 1.00 0.00 O ATOM 1678 CB VAL A 109 11.100 13.611 2.980 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.487 13.476 3.590 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.396 12.263 2.932 1.00 0.00 C ATOM 0 H VAL A 109 8.899 14.609 2.173 1.00 0.00 H new ATOM 0 HA VAL A 109 10.101 14.257 4.781 1.00 0.00 H new ATOM 0 HB VAL A 109 11.213 13.973 1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 109 13.067 12.751 3.019 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.990 14.443 3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.399 13.138 4.622 1.00 0.00 H new ATOM 0 HG21 VAL A 109 11.005 11.554 2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.250 11.892 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.428 12.375 2.444 1.00 0.00 H new