USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 521 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 176 ASN : amide:sc= -0.147 K(o=-0.13,f=-4.9!) USER MOD Set 1.2: A 177 ASN : amide:sc= 0.0151 X(o=-0.13,f=-0.16) USER MOD Single : A 171 GLN : amide:sc= 0.796 K(o=0.8,f=-0.54) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 173 SER OG : rot 180:sc= -0.014 USER MOD Single : A 174 ASN : amide:sc= -0.985 K(o=-0.99,f=-4.3!) USER MOD Single : A 175 GLN : amide:sc= 0.314 K(o=0.31,f=-1.1) USER MOD Single : A 180 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 184 ASN : amide:sc= 1.19 K(o=1.2,f=-0.054) USER MOD Single : A 186 THR OG1 : rot -97:sc= 0.253 USER MOD Single : A 188 LYS NZ :NH3+ -154:sc= -0.231 (180deg=-0.794) USER MOD Single : A 189 GLN :FLIP amide:sc= -0.252 F(o=-2.3!,f=-0.25) USER MOD Single : A 190 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-3.2!) USER MOD Single : A 191 THR OG1 : rot -84:sc= 1.26 USER MOD Single : A 193 THR OG1 : rot 80:sc= 0.124 USER MOD Single : A 194 THR OG1 : rot 145:sc= 1.38 USER MOD Single : A 195 THR OG1 : rot 94:sc= 1.29 USER MOD Single : A 196 THR OG1 : rot 4:sc= 0.556 USER MOD Single : A 197 LYS NZ :NH3+ -93:sc= 0.995 (180deg=-0.994) USER MOD Single : A 200 ASN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 202 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 204 THR OG1 : rot 180:sc= 0 USER MOD Single : A 207 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.07) USER MOD Single : A 209 MET CE :methyl -160:sc= -5.49! (180deg=-7.03!) USER MOD Single : A 215 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.17) USER MOD Single : A 216 MET CE :methyl -150:sc= -3.09! (180deg=-6.77!) USER MOD Single : A 219 THR OG1 : rot 97:sc= 1.17 USER MOD Single : A 220 GLN : amide:sc= -0.939 K(o=-0.94,f=-3!) USER MOD Single : A 221 TYR OH : rot -36:sc= 0.931 USER MOD Single : A 222 GLN : amide:sc= -0.125 K(o=-0.13,f=-4.5!) USER MOD Single : A 225 SER OG : rot -106:sc= -0.816! USER MOD Single : A 226 GLN :FLIP amide:sc= -0.0589 F(o=-4.4!,f=-0.059) USER MOD Single : A 228 TYR OH : rot 180:sc= 0 USER MOD Single : A 229 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 GLN : amide:sc= -5.9! C(o=-5.9!,f=-8.9!) USER MOD Single : A 234 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 167 21.731 4.353 1.288 1.00 0.00 N ATOM 2 CA ARG A 167 20.459 4.419 2.040 1.00 0.00 C ATOM 3 C ARG A 167 19.421 3.491 1.413 1.00 0.00 C ATOM 4 O ARG A 167 19.119 3.590 0.227 1.00 0.00 O ATOM 5 CB ARG A 167 19.934 5.863 2.084 1.00 0.00 C ATOM 6 CG ARG A 167 19.611 6.461 0.721 1.00 0.00 C ATOM 7 CD ARG A 167 19.118 7.891 0.850 1.00 0.00 C ATOM 8 NE ARG A 167 18.547 8.397 -0.399 1.00 0.00 N ATOM 9 CZ ARG A 167 18.349 9.693 -0.656 1.00 0.00 C ATOM 10 NH1 ARG A 167 18.819 10.616 0.176 1.00 0.00 N ATOM 11 NH2 ARG A 167 17.728 10.062 -1.769 1.00 0.00 N ATOM 0 HA ARG A 167 20.644 4.089 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 167 19.036 5.891 2.701 1.00 0.00 H new ATOM 0 HB3 ARG A 167 20.677 6.491 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 167 20.500 6.436 0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 167 18.852 5.855 0.226 1.00 0.00 H new ATOM 0 HD2 ARG A 167 18.367 7.944 1.638 1.00 0.00 H new ATOM 0 HD3 ARG A 167 19.945 8.532 1.155 1.00 0.00 H new ATOM 0 HE ARG A 167 18.285 7.720 -1.116 1.00 0.00 H new ATOM 0 HH11 ARG A 167 19.332 10.335 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 167 18.667 11.605 -0.021 1.00 0.00 H new ATOM 0 HH21 ARG A 167 17.402 9.356 -2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 167 17.577 11.052 -1.965 1.00 0.00 H new ATOM 25 N PRO A 168 18.851 2.575 2.207 1.00 0.00 N ATOM 26 CA PRO A 168 17.918 1.567 1.708 1.00 0.00 C ATOM 27 C PRO A 168 16.485 2.087 1.612 1.00 0.00 C ATOM 28 O PRO A 168 15.527 1.355 1.853 1.00 0.00 O ATOM 29 CB PRO A 168 18.023 0.468 2.757 1.00 0.00 C ATOM 30 CG PRO A 168 18.315 1.190 4.030 1.00 0.00 C ATOM 31 CD PRO A 168 19.072 2.442 3.658 1.00 0.00 C ATOM 0 HA PRO A 168 18.160 1.244 0.695 1.00 0.00 H new ATOM 0 HB2 PRO A 168 17.097 -0.102 2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 168 18.815 -0.240 2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 168 17.392 1.438 4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 168 18.905 0.566 4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 168 18.698 3.311 4.200 1.00 0.00 H new ATOM 0 HD3 PRO A 168 20.132 2.352 3.894 1.00 0.00 H new ATOM 39 N VAL A 169 16.345 3.352 1.249 1.00 0.00 N ATOM 40 CA VAL A 169 15.035 3.968 1.118 1.00 0.00 C ATOM 41 C VAL A 169 14.675 4.155 -0.341 1.00 0.00 C ATOM 42 O VAL A 169 13.915 5.060 -0.700 1.00 0.00 O ATOM 43 CB VAL A 169 14.932 5.332 1.812 1.00 0.00 C ATOM 44 CG1 VAL A 169 15.223 5.228 3.295 1.00 0.00 C ATOM 45 CG2 VAL A 169 15.859 6.339 1.156 1.00 0.00 C ATOM 0 H VAL A 169 17.126 3.974 1.039 1.00 0.00 H new ATOM 0 HA VAL A 169 14.342 3.284 1.607 1.00 0.00 H new ATOM 0 HB VAL A 169 13.905 5.680 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 169 15.140 6.214 3.752 1.00 0.00 H new ATOM 0 HG12 VAL A 169 14.506 4.551 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 169 16.232 4.844 3.442 1.00 0.00 H new ATOM 0 HG21 VAL A 169 15.770 7.300 1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 169 16.888 5.986 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 169 15.586 6.456 0.107 1.00 0.00 H new ATOM 55 N ASP A 170 15.226 3.300 -1.186 1.00 0.00 N ATOM 56 CA ASP A 170 15.026 3.401 -2.626 1.00 0.00 C ATOM 57 C ASP A 170 13.538 3.311 -2.978 1.00 0.00 C ATOM 58 O ASP A 170 13.154 3.518 -4.124 1.00 0.00 O ATOM 59 CB ASP A 170 15.788 2.289 -3.347 1.00 0.00 C ATOM 60 CG ASP A 170 17.190 2.094 -2.809 1.00 0.00 C ATOM 61 OD1 ASP A 170 18.127 2.752 -3.307 1.00 0.00 O ATOM 62 OD2 ASP A 170 17.358 1.272 -1.883 1.00 0.00 O ATOM 0 H ASP A 170 15.820 2.522 -0.899 1.00 0.00 H new ATOM 0 HA ASP A 170 15.406 4.370 -2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 170 15.234 1.355 -3.252 1.00 0.00 H new ATOM 0 HB3 ASP A 170 15.841 2.522 -4.411 1.00 0.00 H new ATOM 67 N GLN A 171 12.722 3.007 -1.969 1.00 0.00 N ATOM 68 CA GLN A 171 11.268 2.958 -2.089 1.00 0.00 C ATOM 69 C GLN A 171 10.695 4.265 -2.651 1.00 0.00 C ATOM 70 O GLN A 171 9.651 4.261 -3.301 1.00 0.00 O ATOM 71 CB GLN A 171 10.651 2.641 -0.715 1.00 0.00 C ATOM 72 CG GLN A 171 10.537 1.147 -0.424 1.00 0.00 C ATOM 73 CD GLN A 171 11.840 0.391 -0.634 1.00 0.00 C ATOM 74 OE1 GLN A 171 12.114 -0.109 -1.725 1.00 0.00 O ATOM 75 NE2 GLN A 171 12.644 0.286 0.409 1.00 0.00 N ATOM 0 H GLN A 171 13.059 2.785 -1.032 1.00 0.00 H new ATOM 0 HA GLN A 171 11.011 2.169 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 171 11.256 3.108 0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 171 9.659 3.090 -0.660 1.00 0.00 H new ATOM 0 HG2 GLN A 171 10.207 1.009 0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 171 9.768 0.717 -1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 171 12.384 0.713 1.298 1.00 0.00 H new ATOM 0 HE22 GLN A 171 13.524 -0.222 0.325 1.00 0.00 H new ATOM 84 N TYR A 172 11.375 5.382 -2.396 1.00 0.00 N ATOM 85 CA TYR A 172 10.973 6.663 -2.975 1.00 0.00 C ATOM 86 C TYR A 172 11.646 6.857 -4.328 1.00 0.00 C ATOM 87 O TYR A 172 11.027 7.316 -5.288 1.00 0.00 O ATOM 88 CB TYR A 172 11.341 7.821 -2.043 1.00 0.00 C ATOM 89 CG TYR A 172 10.827 9.172 -2.496 1.00 0.00 C ATOM 90 CD1 TYR A 172 11.573 9.989 -3.339 1.00 0.00 C ATOM 91 CD2 TYR A 172 9.591 9.632 -2.070 1.00 0.00 C ATOM 92 CE1 TYR A 172 11.090 11.219 -3.750 1.00 0.00 C ATOM 93 CE2 TYR A 172 9.103 10.853 -2.477 1.00 0.00 C ATOM 94 CZ TYR A 172 9.854 11.644 -3.312 1.00 0.00 C ATOM 95 OH TYR A 172 9.358 12.863 -3.714 1.00 0.00 O ATOM 0 H TYR A 172 12.200 5.426 -1.798 1.00 0.00 H new ATOM 0 HA TYR A 172 9.891 6.655 -3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 172 10.948 7.611 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 172 12.426 7.869 -1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 172 12.544 9.659 -3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 172 8.999 9.020 -1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 172 11.677 11.841 -4.409 1.00 0.00 H new ATOM 0 HE2 TYR A 172 8.133 11.188 -2.141 1.00 0.00 H new ATOM 0 HH TYR A 172 8.475 13.005 -3.314 1.00 0.00 H new ATOM 105 N SER A 173 12.926 6.519 -4.382 1.00 0.00 N ATOM 106 CA SER A 173 13.715 6.620 -5.605 1.00 0.00 C ATOM 107 C SER A 173 13.065 5.885 -6.793 1.00 0.00 C ATOM 108 O SER A 173 13.083 6.386 -7.919 1.00 0.00 O ATOM 109 CB SER A 173 15.114 6.066 -5.340 1.00 0.00 C ATOM 110 OG SER A 173 15.636 6.586 -4.123 1.00 0.00 O ATOM 0 H SER A 173 13.449 6.167 -3.580 1.00 0.00 H new ATOM 0 HA SER A 173 13.769 7.672 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 173 15.077 4.978 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 173 15.776 6.325 -6.166 1.00 0.00 H new ATOM 0 HG SER A 173 16.532 6.219 -3.968 1.00 0.00 H new ATOM 116 N ASN A 174 12.481 4.714 -6.545 1.00 0.00 N ATOM 117 CA ASN A 174 11.898 3.900 -7.619 1.00 0.00 C ATOM 118 C ASN A 174 10.373 4.054 -7.678 1.00 0.00 C ATOM 119 O ASN A 174 9.662 3.168 -8.153 1.00 0.00 O ATOM 120 CB ASN A 174 12.284 2.417 -7.467 1.00 0.00 C ATOM 121 CG ASN A 174 11.498 1.679 -6.389 1.00 0.00 C ATOM 122 OD1 ASN A 174 11.095 2.255 -5.383 1.00 0.00 O ATOM 123 ND2 ASN A 174 11.276 0.392 -6.604 1.00 0.00 N ATOM 0 H ASN A 174 12.397 4.306 -5.614 1.00 0.00 H new ATOM 0 HA ASN A 174 12.310 4.266 -8.560 1.00 0.00 H new ATOM 0 HB2 ASN A 174 12.133 1.913 -8.422 1.00 0.00 H new ATOM 0 HB3 ASN A 174 13.347 2.351 -7.237 1.00 0.00 H new ATOM 0 HD21 ASN A 174 10.754 -0.156 -5.921 1.00 0.00 H new ATOM 0 HD22 ASN A 174 11.627 -0.051 -7.453 1.00 0.00 H new ATOM 130 N GLN A 175 9.912 5.222 -7.217 1.00 0.00 N ATOM 131 CA GLN A 175 8.502 5.500 -6.908 1.00 0.00 C ATOM 132 C GLN A 175 7.529 4.913 -7.931 1.00 0.00 C ATOM 133 O GLN A 175 6.632 4.162 -7.557 1.00 0.00 O ATOM 134 CB GLN A 175 8.311 7.021 -6.830 1.00 0.00 C ATOM 135 CG GLN A 175 7.193 7.481 -5.898 1.00 0.00 C ATOM 136 CD GLN A 175 5.792 7.291 -6.453 1.00 0.00 C ATOM 137 OE1 GLN A 175 5.574 7.331 -7.664 1.00 0.00 O ATOM 138 NE2 GLN A 175 4.829 7.101 -5.558 1.00 0.00 N ATOM 0 H GLN A 175 10.523 6.020 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 175 8.274 5.020 -5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 175 9.247 7.474 -6.502 1.00 0.00 H new ATOM 0 HB3 GLN A 175 8.108 7.399 -7.832 1.00 0.00 H new ATOM 0 HG2 GLN A 175 7.274 6.936 -4.957 1.00 0.00 H new ATOM 0 HG3 GLN A 175 7.339 8.537 -5.669 1.00 0.00 H new ATOM 0 HE21 GLN A 175 5.055 7.075 -4.564 1.00 0.00 H new ATOM 0 HE22 GLN A 175 3.864 6.981 -5.865 1.00 0.00 H new ATOM 147 N ASN A 176 7.704 5.247 -9.206 1.00 0.00 N ATOM 148 CA ASN A 176 6.767 4.814 -10.246 1.00 0.00 C ATOM 149 C ASN A 176 6.702 3.287 -10.354 1.00 0.00 C ATOM 150 O ASN A 176 5.614 2.709 -10.425 1.00 0.00 O ATOM 151 CB ASN A 176 7.126 5.431 -11.607 1.00 0.00 C ATOM 152 CG ASN A 176 8.482 4.990 -12.144 1.00 0.00 C ATOM 153 OD1 ASN A 176 9.421 4.732 -11.386 1.00 0.00 O ATOM 154 ND2 ASN A 176 8.587 4.893 -13.459 1.00 0.00 N ATOM 0 H ASN A 176 8.481 5.813 -9.546 1.00 0.00 H new ATOM 0 HA ASN A 176 5.779 5.170 -9.953 1.00 0.00 H new ATOM 0 HB2 ASN A 176 6.355 5.165 -12.331 1.00 0.00 H new ATOM 0 HB3 ASN A 176 7.117 6.517 -11.517 1.00 0.00 H new ATOM 0 HD21 ASN A 176 9.467 4.596 -13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 176 7.788 5.115 -14.052 1.00 0.00 H new ATOM 161 N ASN A 177 7.860 2.640 -10.349 1.00 0.00 N ATOM 162 CA ASN A 177 7.927 1.186 -10.435 1.00 0.00 C ATOM 163 C ASN A 177 7.429 0.560 -9.147 1.00 0.00 C ATOM 164 O ASN A 177 6.794 -0.497 -9.158 1.00 0.00 O ATOM 165 CB ASN A 177 9.355 0.714 -10.719 1.00 0.00 C ATOM 166 CG ASN A 177 9.797 1.002 -12.142 1.00 0.00 C ATOM 167 OD1 ASN A 177 9.542 0.210 -13.050 1.00 0.00 O ATOM 168 ND2 ASN A 177 10.461 2.126 -12.350 1.00 0.00 N ATOM 0 H ASN A 177 8.768 3.100 -10.286 1.00 0.00 H new ATOM 0 HA ASN A 177 7.289 0.871 -11.261 1.00 0.00 H new ATOM 0 HB2 ASN A 177 10.039 1.202 -10.025 1.00 0.00 H new ATOM 0 HB3 ASN A 177 9.423 -0.358 -10.532 1.00 0.00 H new ATOM 0 HD21 ASN A 177 10.782 2.363 -13.289 1.00 0.00 H new ATOM 0 HD22 ASN A 177 10.653 2.757 -11.572 1.00 0.00 H new ATOM 175 N PHE A 178 7.719 1.224 -8.039 1.00 0.00 N ATOM 176 CA PHE A 178 7.265 0.780 -6.733 1.00 0.00 C ATOM 177 C PHE A 178 5.745 0.753 -6.680 1.00 0.00 C ATOM 178 O PHE A 178 5.154 -0.221 -6.229 1.00 0.00 O ATOM 179 CB PHE A 178 7.821 1.699 -5.639 1.00 0.00 C ATOM 180 CG PHE A 178 7.312 1.391 -4.258 1.00 0.00 C ATOM 181 CD1 PHE A 178 6.118 1.933 -3.813 1.00 0.00 C ATOM 182 CD2 PHE A 178 8.033 0.572 -3.402 1.00 0.00 C ATOM 183 CE1 PHE A 178 5.644 1.658 -2.549 1.00 0.00 C ATOM 184 CE2 PHE A 178 7.563 0.295 -2.132 1.00 0.00 C ATOM 185 CZ PHE A 178 6.369 0.842 -1.704 1.00 0.00 C ATOM 0 H PHE A 178 8.272 2.081 -8.020 1.00 0.00 H new ATOM 0 HA PHE A 178 7.634 -0.231 -6.561 1.00 0.00 H new ATOM 0 HB2 PHE A 178 8.909 1.627 -5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 178 7.570 2.731 -5.885 1.00 0.00 H new ATOM 0 HD1 PHE A 178 5.551 2.580 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 178 8.970 0.147 -3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 178 4.706 2.080 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 178 8.129 -0.349 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 178 6.003 0.632 -0.710 1.00 0.00 H new ATOM 195 N VAL A 179 5.120 1.824 -7.145 1.00 0.00 N ATOM 196 CA VAL A 179 3.664 1.909 -7.158 1.00 0.00 C ATOM 197 C VAL A 179 3.063 0.753 -7.946 1.00 0.00 C ATOM 198 O VAL A 179 2.159 0.080 -7.473 1.00 0.00 O ATOM 199 CB VAL A 179 3.165 3.252 -7.740 1.00 0.00 C ATOM 200 CG1 VAL A 179 1.644 3.292 -7.791 1.00 0.00 C ATOM 201 CG2 VAL A 179 3.688 4.411 -6.914 1.00 0.00 C ATOM 0 H VAL A 179 5.595 2.646 -7.518 1.00 0.00 H new ATOM 0 HA VAL A 179 3.335 1.849 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 179 3.545 3.341 -8.758 1.00 0.00 H new ATOM 0 HG11 VAL A 179 1.319 4.247 -8.204 1.00 0.00 H new ATOM 0 HG12 VAL A 179 1.280 2.481 -8.421 1.00 0.00 H new ATOM 0 HG13 VAL A 179 1.243 3.177 -6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 179 3.329 5.350 -7.336 1.00 0.00 H new ATOM 0 HG22 VAL A 179 3.334 4.315 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 179 4.778 4.402 -6.924 1.00 0.00 H new ATOM 211 N HIS A 180 3.589 0.490 -9.126 1.00 0.00 N ATOM 212 CA HIS A 180 3.050 -0.576 -9.955 1.00 0.00 C ATOM 213 C HIS A 180 3.230 -1.938 -9.277 1.00 0.00 C ATOM 214 O HIS A 180 2.268 -2.686 -9.098 1.00 0.00 O ATOM 215 CB HIS A 180 3.719 -0.573 -11.333 1.00 0.00 C ATOM 216 CG HIS A 180 3.062 -1.490 -12.319 1.00 0.00 C ATOM 217 ND1 HIS A 180 3.595 -2.719 -12.624 1.00 0.00 N ATOM 218 CD2 HIS A 180 1.921 -1.314 -13.031 1.00 0.00 C ATOM 219 CE1 HIS A 180 2.775 -3.264 -13.505 1.00 0.00 C ATOM 220 NE2 HIS A 180 1.744 -2.449 -13.784 1.00 0.00 N ATOM 0 H HIS A 180 4.380 0.991 -9.531 1.00 0.00 H new ATOM 0 HA HIS A 180 1.983 -0.398 -10.086 1.00 0.00 H new ATOM 0 HB2 HIS A 180 3.709 0.442 -11.730 1.00 0.00 H new ATOM 0 HB3 HIS A 180 4.764 -0.862 -11.221 1.00 0.00 H new ATOM 0 HD2 HIS A 180 1.276 -0.448 -13.010 1.00 0.00 H new ATOM 0 HE1 HIS A 180 2.916 -4.240 -13.945 1.00 0.00 H new ATOM 0 HE2 HIS A 180 0.978 -2.637 -14.430 1.00 0.00 H new ATOM 227 N ASP A 181 4.457 -2.232 -8.865 1.00 0.00 N ATOM 228 CA ASP A 181 4.796 -3.552 -8.335 1.00 0.00 C ATOM 229 C ASP A 181 4.216 -3.776 -6.940 1.00 0.00 C ATOM 230 O ASP A 181 3.484 -4.740 -6.710 1.00 0.00 O ATOM 231 CB ASP A 181 6.313 -3.723 -8.293 1.00 0.00 C ATOM 232 CG ASP A 181 6.720 -5.116 -7.860 1.00 0.00 C ATOM 233 OD1 ASP A 181 6.712 -6.027 -8.715 1.00 0.00 O ATOM 234 OD2 ASP A 181 7.062 -5.302 -6.670 1.00 0.00 O ATOM 0 H ASP A 181 5.237 -1.575 -8.887 1.00 0.00 H new ATOM 0 HA ASP A 181 4.356 -4.294 -9.001 1.00 0.00 H new ATOM 0 HB2 ASP A 181 6.728 -3.515 -9.279 1.00 0.00 H new ATOM 0 HB3 ASP A 181 6.740 -2.992 -7.607 1.00 0.00 H new ATOM 239 N CYS A 182 4.538 -2.875 -6.024 1.00 0.00 N ATOM 240 CA CYS A 182 4.140 -3.013 -4.628 1.00 0.00 C ATOM 241 C CYS A 182 2.633 -2.981 -4.492 1.00 0.00 C ATOM 242 O CYS A 182 2.060 -3.823 -3.813 1.00 0.00 O ATOM 243 CB CYS A 182 4.773 -1.904 -3.775 1.00 0.00 C ATOM 244 SG CYS A 182 4.667 -2.159 -1.969 1.00 0.00 S ATOM 0 H CYS A 182 5.078 -2.033 -6.223 1.00 0.00 H new ATOM 0 HA CYS A 182 4.498 -3.978 -4.269 1.00 0.00 H new ATOM 0 HB2 CYS A 182 5.823 -1.809 -4.052 1.00 0.00 H new ATOM 0 HB3 CYS A 182 4.291 -0.958 -4.022 1.00 0.00 H new ATOM 249 N VAL A 183 1.981 -2.026 -5.144 1.00 0.00 N ATOM 250 CA VAL A 183 0.533 -1.926 -5.043 1.00 0.00 C ATOM 251 C VAL A 183 -0.116 -3.176 -5.599 1.00 0.00 C ATOM 252 O VAL A 183 -1.121 -3.635 -5.080 1.00 0.00 O ATOM 253 CB VAL A 183 -0.020 -0.670 -5.742 1.00 0.00 C ATOM 254 CG1 VAL A 183 -1.542 -0.645 -5.718 1.00 0.00 C ATOM 255 CG2 VAL A 183 0.553 0.567 -5.078 1.00 0.00 C ATOM 0 H VAL A 183 2.422 -1.323 -5.737 1.00 0.00 H new ATOM 0 HA VAL A 183 0.286 -1.833 -3.985 1.00 0.00 H new ATOM 0 HB VAL A 183 0.283 -0.689 -6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 183 -1.899 0.254 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 183 -1.929 -1.525 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 183 -1.890 -0.647 -4.685 1.00 0.00 H new ATOM 0 HG21 VAL A 183 0.163 1.458 -5.571 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.268 0.580 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.640 0.553 -5.160 1.00 0.00 H new ATOM 265 N ASN A 184 0.477 -3.752 -6.632 1.00 0.00 N ATOM 266 CA ASN A 184 -0.015 -5.031 -7.136 1.00 0.00 C ATOM 267 C ASN A 184 0.062 -6.109 -6.058 1.00 0.00 C ATOM 268 O ASN A 184 -0.948 -6.714 -5.719 1.00 0.00 O ATOM 269 CB ASN A 184 0.733 -5.503 -8.382 1.00 0.00 C ATOM 270 CG ASN A 184 -0.036 -5.210 -9.657 1.00 0.00 C ATOM 271 OD1 ASN A 184 -0.863 -6.011 -10.089 1.00 0.00 O ATOM 272 ND2 ASN A 184 0.236 -4.073 -10.276 1.00 0.00 N ATOM 0 H ASN A 184 1.280 -3.369 -7.130 1.00 0.00 H new ATOM 0 HA ASN A 184 -1.055 -4.866 -7.416 1.00 0.00 H new ATOM 0 HB2 ASN A 184 1.706 -5.014 -8.426 1.00 0.00 H new ATOM 0 HB3 ASN A 184 0.917 -6.575 -8.309 1.00 0.00 H new ATOM 0 HD21 ASN A 184 -0.247 -3.836 -11.143 1.00 0.00 H new ATOM 0 HD22 ASN A 184 0.929 -3.433 -9.887 1.00 0.00 H new ATOM 279 N ILE A 185 1.246 -6.329 -5.491 1.00 0.00 N ATOM 280 CA ILE A 185 1.414 -7.374 -4.481 1.00 0.00 C ATOM 281 C ILE A 185 0.557 -7.111 -3.248 1.00 0.00 C ATOM 282 O ILE A 185 0.021 -8.042 -2.650 1.00 0.00 O ATOM 283 CB ILE A 185 2.893 -7.599 -4.078 1.00 0.00 C ATOM 284 CG1 ILE A 185 3.546 -6.343 -3.494 1.00 0.00 C ATOM 285 CG2 ILE A 185 3.688 -8.101 -5.271 1.00 0.00 C ATOM 286 CD1 ILE A 185 3.467 -6.253 -1.981 1.00 0.00 C ATOM 0 H ILE A 185 2.094 -5.806 -5.709 1.00 0.00 H new ATOM 0 HA ILE A 185 1.069 -8.295 -4.951 1.00 0.00 H new ATOM 0 HB ILE A 185 2.899 -8.352 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 185 4.593 -6.317 -3.795 1.00 0.00 H new ATOM 0 HG13 ILE A 185 3.068 -5.463 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 185 4.726 -8.256 -4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 185 3.265 -9.043 -5.620 1.00 0.00 H new ATOM 0 HG23 ILE A 185 3.644 -7.365 -6.073 1.00 0.00 H new ATOM 0 HD11 ILE A 185 3.951 -5.336 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 185 2.422 -6.246 -1.671 1.00 0.00 H new ATOM 0 HD13 ILE A 185 3.971 -7.112 -1.539 1.00 0.00 H new ATOM 298 N THR A 186 0.416 -5.853 -2.867 1.00 0.00 N ATOM 299 CA THR A 186 -0.509 -5.507 -1.794 1.00 0.00 C ATOM 300 C THR A 186 -1.957 -5.738 -2.200 1.00 0.00 C ATOM 301 O THR A 186 -2.789 -6.076 -1.356 1.00 0.00 O ATOM 302 CB THR A 186 -0.326 -4.072 -1.268 1.00 0.00 C ATOM 303 OG1 THR A 186 0.063 -3.197 -2.324 1.00 0.00 O ATOM 304 CG2 THR A 186 0.701 -4.032 -0.143 1.00 0.00 C ATOM 0 H THR A 186 0.919 -5.064 -3.274 1.00 0.00 H new ATOM 0 HA THR A 186 -0.263 -6.181 -0.974 1.00 0.00 H new ATOM 0 HB THR A 186 -1.283 -3.734 -0.870 1.00 0.00 H new ATOM 0 HG1 THR A 186 1.037 -3.093 -2.320 1.00 0.00 H new ATOM 0 HG21 THR A 186 0.812 -3.007 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 186 0.366 -4.666 0.678 1.00 0.00 H new ATOM 0 HG23 THR A 186 1.660 -4.394 -0.513 1.00 0.00 H new ATOM 312 N VAL A 187 -2.269 -5.560 -3.479 1.00 0.00 N ATOM 313 CA VAL A 187 -3.584 -5.932 -3.969 1.00 0.00 C ATOM 314 C VAL A 187 -3.778 -7.421 -3.774 1.00 0.00 C ATOM 315 O VAL A 187 -4.812 -7.858 -3.279 1.00 0.00 O ATOM 316 CB VAL A 187 -3.815 -5.573 -5.460 1.00 0.00 C ATOM 317 CG1 VAL A 187 -5.042 -6.291 -6.009 1.00 0.00 C ATOM 318 CG2 VAL A 187 -3.979 -4.076 -5.641 1.00 0.00 C ATOM 0 H VAL A 187 -1.641 -5.168 -4.181 1.00 0.00 H new ATOM 0 HA VAL A 187 -4.312 -5.358 -3.396 1.00 0.00 H new ATOM 0 HB VAL A 187 -2.935 -5.900 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -5.182 -6.023 -7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -4.900 -7.369 -5.926 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -5.922 -5.996 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -4.140 -3.852 -6.696 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -4.836 -3.731 -5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -3.079 -3.567 -5.295 1.00 0.00 H new ATOM 328 N LYS A 188 -2.760 -8.195 -4.143 1.00 0.00 N ATOM 329 CA LYS A 188 -2.770 -9.629 -3.919 1.00 0.00 C ATOM 330 C LYS A 188 -3.015 -9.915 -2.442 1.00 0.00 C ATOM 331 O LYS A 188 -3.865 -10.718 -2.090 1.00 0.00 O ATOM 332 CB LYS A 188 -1.442 -10.261 -4.357 1.00 0.00 C ATOM 333 CG LYS A 188 -1.359 -10.667 -5.828 1.00 0.00 C ATOM 334 CD LYS A 188 -1.052 -9.498 -6.755 1.00 0.00 C ATOM 335 CE LYS A 188 -2.315 -8.790 -7.231 1.00 0.00 C ATOM 336 NZ LYS A 188 -3.223 -9.705 -7.970 1.00 0.00 N ATOM 0 H LYS A 188 -1.917 -7.847 -4.600 1.00 0.00 H new ATOM 0 HA LYS A 188 -3.571 -10.066 -4.515 1.00 0.00 H new ATOM 0 HB2 LYS A 188 -0.638 -9.556 -4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 188 -1.260 -11.144 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 188 -0.588 -11.428 -5.945 1.00 0.00 H new ATOM 0 HG3 LYS A 188 -2.304 -11.121 -6.127 1.00 0.00 H new ATOM 0 HD2 LYS A 188 -0.412 -8.784 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 188 -0.493 -9.859 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A 188 -2.842 -8.372 -6.373 1.00 0.00 H new ATOM 0 HE3 LYS A 188 -2.041 -7.954 -7.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 188 -3.808 -9.155 -8.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 188 -2.659 -10.398 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 188 -3.838 -10.204 -7.295 1.00 0.00 H new ATOM 350 N GLN A 189 -2.280 -9.208 -1.593 1.00 0.00 N ATOM 351 CA GLN A 189 -2.407 -9.326 -0.142 1.00 0.00 C ATOM 352 C GLN A 189 -3.843 -9.101 0.322 1.00 0.00 C ATOM 353 O GLN A 189 -4.452 -9.976 0.949 1.00 0.00 O ATOM 354 CB GLN A 189 -1.481 -8.302 0.517 1.00 0.00 C ATOM 355 CG GLN A 189 -1.466 -8.343 2.032 1.00 0.00 C ATOM 356 CD GLN A 189 -0.215 -7.700 2.587 1.00 0.00 C ATOM 357 OE1 GLN A 189 0.883 -7.846 1.859 1.00 0.00 O flip ATOM 358 NE2 GLN A 189 -0.225 -7.105 3.667 1.00 0.00 N flip ATOM 0 H GLN A 189 -1.575 -8.533 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 189 -2.126 -10.338 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 189 -0.466 -8.463 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 189 -1.780 -7.304 0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 189 -2.345 -7.828 2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 189 -1.527 -9.377 2.370 1.00 0.00 H new ATOM 0 HE21 GLN A 189 -1.095 -7.017 4.193 1.00 0.00 H new ATOM 0 HE22 GLN A 189 0.636 -6.700 4.034 1.00 0.00 H new ATOM 367 N HIS A 190 -4.379 -7.938 -0.009 1.00 0.00 N ATOM 368 CA HIS A 190 -5.694 -7.539 0.465 1.00 0.00 C ATOM 369 C HIS A 190 -6.775 -8.444 -0.116 1.00 0.00 C ATOM 370 O HIS A 190 -7.683 -8.873 0.598 1.00 0.00 O ATOM 371 CB HIS A 190 -5.964 -6.083 0.097 1.00 0.00 C ATOM 372 CG HIS A 190 -6.694 -5.312 1.159 1.00 0.00 C ATOM 373 ND1 HIS A 190 -7.666 -4.397 0.842 1.00 0.00 N ATOM 374 CD2 HIS A 190 -6.523 -5.328 2.505 1.00 0.00 C ATOM 375 CE1 HIS A 190 -8.063 -3.873 1.988 1.00 0.00 C ATOM 376 NE2 HIS A 190 -7.398 -4.405 3.027 1.00 0.00 N ATOM 0 H HIS A 190 -3.921 -7.250 -0.607 1.00 0.00 H new ATOM 0 HA HIS A 190 -5.715 -7.638 1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 190 -5.015 -5.589 -0.109 1.00 0.00 H new ATOM 0 HB3 HIS A 190 -6.546 -6.053 -0.824 1.00 0.00 H new ATOM 0 HD2 HIS A 190 -5.833 -5.947 3.059 1.00 0.00 H new ATOM 0 HE1 HIS A 190 -8.825 -3.113 2.078 1.00 0.00 H new ATOM 0 HE2 HIS A 190 -7.519 -4.170 4.012 1.00 0.00 H new ATOM 383 N THR A 191 -6.662 -8.750 -1.407 1.00 0.00 N ATOM 384 CA THR A 191 -7.620 -9.629 -2.064 1.00 0.00 C ATOM 385 C THR A 191 -7.565 -11.027 -1.457 1.00 0.00 C ATOM 386 O THR A 191 -8.597 -11.647 -1.251 1.00 0.00 O ATOM 387 CB THR A 191 -7.397 -9.719 -3.591 1.00 0.00 C ATOM 388 OG1 THR A 191 -6.042 -10.076 -3.883 1.00 0.00 O ATOM 389 CG2 THR A 191 -7.740 -8.399 -4.267 1.00 0.00 C ATOM 0 H THR A 191 -5.920 -8.403 -2.014 1.00 0.00 H new ATOM 0 HA THR A 191 -8.605 -9.192 -1.901 1.00 0.00 H new ATOM 0 HB THR A 191 -8.058 -10.493 -3.980 1.00 0.00 H new ATOM 0 HG1 THR A 191 -5.481 -9.272 -3.867 1.00 0.00 H new ATOM 0 HG21 THR A 191 -7.575 -8.487 -5.341 1.00 0.00 H new ATOM 0 HG22 THR A 191 -8.786 -8.155 -4.079 1.00 0.00 H new ATOM 0 HG23 THR A 191 -7.105 -7.609 -3.866 1.00 0.00 H new ATOM 397 N VAL A 192 -6.359 -11.512 -1.155 1.00 0.00 N ATOM 398 CA VAL A 192 -6.190 -12.821 -0.527 1.00 0.00 C ATOM 399 C VAL A 192 -6.916 -12.889 0.813 1.00 0.00 C ATOM 400 O VAL A 192 -7.739 -13.778 1.027 1.00 0.00 O ATOM 401 CB VAL A 192 -4.691 -13.181 -0.342 1.00 0.00 C ATOM 402 CG1 VAL A 192 -4.515 -14.279 0.697 1.00 0.00 C ATOM 403 CG2 VAL A 192 -4.094 -13.633 -1.664 1.00 0.00 C ATOM 0 H VAL A 192 -5.486 -11.017 -1.336 1.00 0.00 H new ATOM 0 HA VAL A 192 -6.633 -13.555 -1.200 1.00 0.00 H new ATOM 0 HB VAL A 192 -4.172 -12.288 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 192 -3.455 -14.511 0.806 1.00 0.00 H new ATOM 0 HG12 VAL A 192 -4.913 -13.941 1.654 1.00 0.00 H new ATOM 0 HG13 VAL A 192 -5.051 -15.173 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 192 -3.043 -13.883 -1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 192 -4.630 -14.511 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 192 -4.180 -12.830 -2.396 1.00 0.00 H new ATOM 413 N THR A 193 -6.632 -11.941 1.700 1.00 0.00 N ATOM 414 CA THR A 193 -7.276 -11.910 3.009 1.00 0.00 C ATOM 415 C THR A 193 -8.795 -11.755 2.863 1.00 0.00 C ATOM 416 O THR A 193 -9.583 -12.430 3.534 1.00 0.00 O ATOM 417 CB THR A 193 -6.706 -10.764 3.868 1.00 0.00 C ATOM 418 OG1 THR A 193 -5.272 -10.836 3.881 1.00 0.00 O ATOM 419 CG2 THR A 193 -7.224 -10.840 5.294 1.00 0.00 C ATOM 0 H THR A 193 -5.964 -11.188 1.538 1.00 0.00 H new ATOM 0 HA THR A 193 -7.070 -12.856 3.509 1.00 0.00 H new ATOM 0 HB THR A 193 -7.028 -9.819 3.431 1.00 0.00 H new ATOM 0 HG1 THR A 193 -4.918 -10.449 3.053 1.00 0.00 H new ATOM 0 HG21 THR A 193 -6.806 -10.020 5.877 1.00 0.00 H new ATOM 0 HG22 THR A 193 -8.311 -10.765 5.291 1.00 0.00 H new ATOM 0 HG23 THR A 193 -6.927 -11.790 5.739 1.00 0.00 H new ATOM 427 N THR A 194 -9.196 -10.895 1.946 1.00 0.00 N ATOM 428 CA THR A 194 -10.603 -10.651 1.684 1.00 0.00 C ATOM 429 C THR A 194 -11.251 -11.838 0.955 1.00 0.00 C ATOM 430 O THR A 194 -12.475 -11.966 0.894 1.00 0.00 O ATOM 431 CB THR A 194 -10.758 -9.357 0.873 1.00 0.00 C ATOM 432 OG1 THR A 194 -10.218 -8.263 1.623 1.00 0.00 O ATOM 433 CG2 THR A 194 -12.206 -9.075 0.539 1.00 0.00 C ATOM 0 H THR A 194 -8.561 -10.349 1.365 1.00 0.00 H new ATOM 0 HA THR A 194 -11.120 -10.538 2.637 1.00 0.00 H new ATOM 0 HB THR A 194 -10.217 -9.478 -0.065 1.00 0.00 H new ATOM 0 HG1 THR A 194 -9.794 -7.625 1.012 1.00 0.00 H new ATOM 0 HG21 THR A 194 -12.274 -8.151 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 194 -12.611 -9.898 -0.049 1.00 0.00 H new ATOM 0 HG23 THR A 194 -12.779 -8.972 1.461 1.00 0.00 H new ATOM 441 N THR A 195 -10.434 -12.714 0.407 1.00 0.00 N ATOM 442 CA THR A 195 -10.938 -13.947 -0.157 1.00 0.00 C ATOM 443 C THR A 195 -11.085 -14.984 0.943 1.00 0.00 C ATOM 444 O THR A 195 -12.034 -15.739 0.967 1.00 0.00 O ATOM 445 CB THR A 195 -10.024 -14.493 -1.273 1.00 0.00 C ATOM 446 OG1 THR A 195 -9.949 -13.547 -2.347 1.00 0.00 O ATOM 447 CG2 THR A 195 -10.542 -15.824 -1.801 1.00 0.00 C ATOM 0 H THR A 195 -9.423 -12.595 0.341 1.00 0.00 H new ATOM 0 HA THR A 195 -11.908 -13.735 -0.606 1.00 0.00 H new ATOM 0 HB THR A 195 -9.031 -14.651 -0.853 1.00 0.00 H new ATOM 0 HG1 THR A 195 -9.162 -12.976 -2.226 1.00 0.00 H new ATOM 0 HG21 THR A 195 -9.879 -16.187 -2.587 1.00 0.00 H new ATOM 0 HG22 THR A 195 -10.573 -16.550 -0.989 1.00 0.00 H new ATOM 0 HG23 THR A 195 -11.545 -15.689 -2.206 1.00 0.00 H new ATOM 455 N THR A 196 -10.171 -14.991 1.887 1.00 0.00 N ATOM 456 CA THR A 196 -10.239 -15.966 2.954 1.00 0.00 C ATOM 457 C THR A 196 -11.239 -15.539 4.031 1.00 0.00 C ATOM 458 O THR A 196 -11.572 -16.314 4.923 1.00 0.00 O ATOM 459 CB THR A 196 -8.850 -16.202 3.578 1.00 0.00 C ATOM 460 OG1 THR A 196 -8.284 -14.957 4.008 1.00 0.00 O ATOM 461 CG2 THR A 196 -7.915 -16.856 2.572 1.00 0.00 C ATOM 0 H THR A 196 -9.384 -14.345 1.939 1.00 0.00 H new ATOM 0 HA THR A 196 -10.585 -16.904 2.519 1.00 0.00 H new ATOM 0 HB THR A 196 -8.971 -16.864 4.435 1.00 0.00 H new ATOM 0 HG1 THR A 196 -8.933 -14.236 3.866 1.00 0.00 H new ATOM 0 HG21 THR A 196 -6.939 -17.014 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 196 -8.329 -17.815 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 196 -7.806 -16.208 1.702 1.00 0.00 H new ATOM 469 N LYS A 197 -11.718 -14.297 3.939 1.00 0.00 N ATOM 470 CA LYS A 197 -12.758 -13.800 4.848 1.00 0.00 C ATOM 471 C LYS A 197 -14.112 -14.473 4.580 1.00 0.00 C ATOM 472 O LYS A 197 -15.102 -14.173 5.248 1.00 0.00 O ATOM 473 CB LYS A 197 -12.920 -12.281 4.714 1.00 0.00 C ATOM 474 CG LYS A 197 -13.746 -11.857 3.511 1.00 0.00 C ATOM 475 CD LYS A 197 -13.926 -10.351 3.467 1.00 0.00 C ATOM 476 CE LYS A 197 -14.776 -9.908 2.282 1.00 0.00 C ATOM 477 NZ LYS A 197 -15.089 -8.455 2.352 1.00 0.00 N ATOM 0 H LYS A 197 -11.405 -13.617 3.247 1.00 0.00 H new ATOM 0 HA LYS A 197 -12.438 -14.046 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 197 -13.388 -11.893 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 197 -11.933 -11.824 4.645 1.00 0.00 H new ATOM 0 HG2 LYS A 197 -13.259 -12.194 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 197 -14.722 -12.341 3.549 1.00 0.00 H new ATOM 0 HD2 LYS A 197 -14.393 -10.015 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 197 -12.949 -9.871 3.411 1.00 0.00 H new ATOM 0 HE2 LYS A 197 -14.248 -10.124 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 197 -15.703 -10.481 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 -16.001 -8.319 2.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 -14.341 -7.964 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 -15.144 -8.065 1.389 1.00 0.00 H new ATOM 491 N GLY A 198 -14.151 -15.371 3.603 1.00 0.00 N ATOM 492 CA GLY A 198 -15.398 -16.021 3.237 1.00 0.00 C ATOM 493 C GLY A 198 -15.671 -15.949 1.745 1.00 0.00 C ATOM 494 O GLY A 198 -16.799 -16.166 1.307 1.00 0.00 O ATOM 0 H GLY A 198 -13.341 -15.662 3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 198 -15.365 -17.065 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 198 -16.221 -15.553 3.777 1.00 0.00 H new ATOM 498 N GLU A 199 -14.620 -15.639 0.983 1.00 0.00 N ATOM 499 CA GLU A 199 -14.658 -15.557 -0.477 1.00 0.00 C ATOM 500 C GLU A 199 -15.907 -14.836 -0.990 1.00 0.00 C ATOM 501 O GLU A 199 -16.812 -15.461 -1.545 1.00 0.00 O ATOM 502 CB GLU A 199 -14.549 -16.951 -1.111 1.00 0.00 C ATOM 503 CG GLU A 199 -13.423 -17.823 -0.571 1.00 0.00 C ATOM 504 CD GLU A 199 -13.825 -18.620 0.655 1.00 0.00 C ATOM 505 OE1 GLU A 199 -14.617 -19.576 0.508 1.00 0.00 O ATOM 506 OE2 GLU A 199 -13.341 -18.309 1.765 1.00 0.00 O ATOM 0 H GLU A 199 -13.700 -15.434 1.373 1.00 0.00 H new ATOM 0 HA GLU A 199 -13.794 -14.964 -0.777 1.00 0.00 H new ATOM 0 HB2 GLU A 199 -15.494 -17.474 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 199 -14.413 -16.834 -2.186 1.00 0.00 H new ATOM 0 HG2 GLU A 199 -13.096 -18.509 -1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 199 -12.569 -17.192 -0.323 1.00 0.00 H new ATOM 513 N ASN A 200 -15.945 -13.520 -0.817 1.00 0.00 N ATOM 514 CA ASN A 200 -17.068 -12.720 -1.302 1.00 0.00 C ATOM 515 C ASN A 200 -16.561 -11.541 -2.107 1.00 0.00 C ATOM 516 O ASN A 200 -16.803 -11.477 -3.310 1.00 0.00 O ATOM 517 CB ASN A 200 -17.930 -12.234 -0.139 1.00 0.00 C ATOM 518 CG ASN A 200 -19.237 -11.624 -0.604 1.00 0.00 C ATOM 519 OD1 ASN A 200 -19.319 -10.424 -0.867 1.00 0.00 O ATOM 520 ND2 ASN A 200 -20.269 -12.446 -0.707 1.00 0.00 N ATOM 0 H ASN A 200 -15.215 -12.984 -0.347 1.00 0.00 H new ATOM 0 HA ASN A 200 -17.684 -13.348 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 200 -18.139 -13.070 0.528 1.00 0.00 H new ATOM 0 HB3 ASN A 200 -17.373 -11.496 0.439 1.00 0.00 H new ATOM 0 HD21 ASN A 200 -21.175 -12.091 -1.014 1.00 0.00 H new ATOM 0 HD22 ASN A 200 -20.159 -13.434 -0.479 1.00 0.00 H new ATOM 527 N PHE A 201 -15.838 -10.627 -1.440 1.00 0.00 N ATOM 528 CA PHE A 201 -15.207 -9.474 -2.100 1.00 0.00 C ATOM 529 C PHE A 201 -16.118 -8.825 -3.135 1.00 0.00 C ATOM 530 O PHE A 201 -17.059 -8.123 -2.768 1.00 0.00 O ATOM 531 CB PHE A 201 -13.823 -9.851 -2.675 1.00 0.00 C ATOM 532 CG PHE A 201 -13.709 -11.239 -3.267 1.00 0.00 C ATOM 533 CD1 PHE A 201 -13.978 -11.471 -4.606 1.00 0.00 C ATOM 534 CD2 PHE A 201 -13.315 -12.310 -2.479 1.00 0.00 C ATOM 535 CE1 PHE A 201 -13.866 -12.737 -5.145 1.00 0.00 C ATOM 536 CE2 PHE A 201 -13.203 -13.579 -3.012 1.00 0.00 C ATOM 537 CZ PHE A 201 -13.476 -13.792 -4.348 1.00 0.00 C ATOM 0 H PHE A 201 -15.675 -10.666 -0.434 1.00 0.00 H new ATOM 0 HA PHE A 201 -15.041 -8.713 -1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 201 -13.561 -9.126 -3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 201 -13.082 -9.754 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 201 -14.280 -10.649 -5.238 1.00 0.00 H new ATOM 0 HD2 PHE A 201 -13.093 -12.149 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 201 -14.084 -12.901 -6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 201 -12.902 -14.404 -2.384 1.00 0.00 H new ATOM 0 HZ PHE A 201 -13.384 -14.783 -4.768 1.00 0.00 H new ATOM 547 N THR A 202 -15.817 -9.062 -4.401 1.00 0.00 N ATOM 548 CA THR A 202 -16.599 -8.568 -5.540 1.00 0.00 C ATOM 549 C THR A 202 -15.951 -7.286 -6.014 1.00 0.00 C ATOM 550 O THR A 202 -15.331 -6.611 -5.200 1.00 0.00 O ATOM 551 CB THR A 202 -18.097 -8.301 -5.222 1.00 0.00 C ATOM 552 OG1 THR A 202 -18.662 -9.417 -4.523 1.00 0.00 O ATOM 553 CG2 THR A 202 -18.894 -8.062 -6.497 1.00 0.00 C ATOM 0 H THR A 202 -15.006 -9.614 -4.680 1.00 0.00 H new ATOM 0 HA THR A 202 -16.596 -9.347 -6.302 1.00 0.00 H new ATOM 0 HB THR A 202 -18.149 -7.408 -4.599 1.00 0.00 H new ATOM 0 HG1 THR A 202 -19.605 -9.237 -4.327 1.00 0.00 H new ATOM 0 HG21 THR A 202 -19.938 -7.878 -6.244 1.00 0.00 H new ATOM 0 HG22 THR A 202 -18.490 -7.196 -7.022 1.00 0.00 H new ATOM 0 HG23 THR A 202 -18.825 -8.940 -7.139 1.00 0.00 H new ATOM 561 N GLU A 203 -16.043 -6.954 -7.296 1.00 0.00 N ATOM 562 CA GLU A 203 -15.347 -5.775 -7.815 1.00 0.00 C ATOM 563 C GLU A 203 -15.574 -4.555 -6.933 1.00 0.00 C ATOM 564 O GLU A 203 -14.677 -3.740 -6.774 1.00 0.00 O ATOM 565 CB GLU A 203 -15.765 -5.454 -9.242 1.00 0.00 C ATOM 566 CG GLU A 203 -15.040 -4.241 -9.808 1.00 0.00 C ATOM 567 CD GLU A 203 -15.632 -3.748 -11.107 1.00 0.00 C ATOM 568 OE1 GLU A 203 -15.805 -4.561 -12.039 1.00 0.00 O ATOM 569 OE2 GLU A 203 -15.921 -2.534 -11.206 1.00 0.00 O ATOM 0 H GLU A 203 -16.583 -7.473 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 203 -14.285 -6.020 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 203 -15.569 -6.318 -9.877 1.00 0.00 H new ATOM 0 HB3 GLU A 203 -16.840 -5.275 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 203 -15.067 -3.435 -9.075 1.00 0.00 H new ATOM 0 HG3 GLU A 203 -13.992 -4.493 -9.966 1.00 0.00 H new ATOM 576 N THR A 204 -16.744 -4.472 -6.318 1.00 0.00 N ATOM 577 CA THR A 204 -17.053 -3.387 -5.406 1.00 0.00 C ATOM 578 C THR A 204 -16.038 -3.332 -4.279 1.00 0.00 C ATOM 579 O THR A 204 -15.392 -2.310 -4.047 1.00 0.00 O ATOM 580 CB THR A 204 -18.421 -3.623 -4.754 1.00 0.00 C ATOM 581 OG1 THR A 204 -19.427 -3.782 -5.763 1.00 0.00 O ATOM 582 CG2 THR A 204 -18.770 -2.465 -3.828 1.00 0.00 C ATOM 0 H THR A 204 -17.498 -5.149 -6.437 1.00 0.00 H new ATOM 0 HA THR A 204 -17.042 -2.462 -5.982 1.00 0.00 H new ATOM 0 HB THR A 204 -18.377 -4.537 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 204 -20.296 -3.934 -5.337 1.00 0.00 H new ATOM 0 HG21 THR A 204 -19.743 -2.645 -3.372 1.00 0.00 H new ATOM 0 HG22 THR A 204 -18.013 -2.382 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 204 -18.804 -1.538 -4.401 1.00 0.00 H new ATOM 590 N ASP A 205 -15.885 -4.457 -3.612 1.00 0.00 N ATOM 591 CA ASP A 205 -14.992 -4.560 -2.484 1.00 0.00 C ATOM 592 C ASP A 205 -13.553 -4.515 -2.959 1.00 0.00 C ATOM 593 O ASP A 205 -12.725 -3.893 -2.334 1.00 0.00 O ATOM 594 CB ASP A 205 -15.262 -5.858 -1.722 1.00 0.00 C ATOM 595 CG ASP A 205 -14.530 -5.953 -0.397 1.00 0.00 C ATOM 596 OD1 ASP A 205 -13.970 -4.936 0.061 1.00 0.00 O ATOM 597 OD2 ASP A 205 -14.529 -7.050 0.200 1.00 0.00 O ATOM 0 H ASP A 205 -16.376 -5.322 -3.838 1.00 0.00 H new ATOM 0 HA ASP A 205 -15.165 -3.719 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -16.333 -5.947 -1.542 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.973 -6.703 -2.348 1.00 0.00 H new ATOM 602 N ILE A 206 -13.279 -5.140 -4.100 1.00 0.00 N ATOM 603 CA ILE A 206 -11.913 -5.282 -4.591 1.00 0.00 C ATOM 604 C ILE A 206 -11.341 -3.975 -5.135 1.00 0.00 C ATOM 605 O ILE A 206 -10.187 -3.654 -4.864 1.00 0.00 O ATOM 606 CB ILE A 206 -11.845 -6.390 -5.650 1.00 0.00 C ATOM 607 CG1 ILE A 206 -12.416 -7.654 -5.027 1.00 0.00 C ATOM 608 CG2 ILE A 206 -10.409 -6.613 -6.098 1.00 0.00 C ATOM 609 CD1 ILE A 206 -12.996 -8.643 -5.991 1.00 0.00 C ATOM 0 H ILE A 206 -13.988 -5.557 -4.703 1.00 0.00 H new ATOM 0 HA ILE A 206 -11.292 -5.559 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 206 -12.420 -6.110 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -11.627 -8.147 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -13.191 -7.369 -4.315 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -10.381 -7.402 -6.849 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -10.014 -5.691 -6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -9.802 -6.905 -5.241 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -13.375 -9.506 -5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -13.812 -8.177 -6.543 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -12.224 -8.967 -6.689 1.00 0.00 H new ATOM 621 N LYS A 207 -12.131 -3.219 -5.883 1.00 0.00 N ATOM 622 CA LYS A 207 -11.700 -1.893 -6.310 1.00 0.00 C ATOM 623 C LYS A 207 -11.491 -1.043 -5.080 1.00 0.00 C ATOM 624 O LYS A 207 -10.453 -0.415 -4.939 1.00 0.00 O ATOM 625 CB LYS A 207 -12.706 -1.264 -7.293 1.00 0.00 C ATOM 626 CG LYS A 207 -14.045 -0.852 -6.694 1.00 0.00 C ATOM 627 CD LYS A 207 -15.133 -0.805 -7.761 1.00 0.00 C ATOM 628 CE LYS A 207 -14.764 0.108 -8.920 1.00 0.00 C ATOM 629 NZ LYS A 207 -15.721 -0.021 -10.052 1.00 0.00 N ATOM 0 H LYS A 207 -13.060 -3.493 -6.204 1.00 0.00 H new ATOM 0 HA LYS A 207 -10.759 -1.965 -6.855 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -12.245 -0.385 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -12.892 -1.975 -8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -14.329 -1.556 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -13.951 0.127 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -15.314 -1.812 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -16.065 -0.461 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -14.745 1.142 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -13.758 -0.131 -9.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -15.407 0.579 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -15.758 -1.012 -10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -16.667 0.281 -9.743 1.00 0.00 H new ATOM 643 N ALA A 208 -12.443 -1.098 -4.157 1.00 0.00 N ATOM 644 CA ALA A 208 -12.322 -0.405 -2.886 1.00 0.00 C ATOM 645 C ALA A 208 -11.056 -0.848 -2.144 1.00 0.00 C ATOM 646 O ALA A 208 -10.361 -0.029 -1.531 1.00 0.00 O ATOM 647 CB ALA A 208 -13.566 -0.637 -2.040 1.00 0.00 C ATOM 0 H ALA A 208 -13.312 -1.620 -4.269 1.00 0.00 H new ATOM 0 HA ALA A 208 -12.235 0.664 -3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 208 -13.463 -0.113 -1.090 1.00 0.00 H new ATOM 0 HB2 ALA A 208 -14.441 -0.261 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 208 -13.686 -1.704 -1.854 1.00 0.00 H new ATOM 653 N MET A 209 -10.758 -2.144 -2.226 1.00 0.00 N ATOM 654 CA MET A 209 -9.543 -2.704 -1.650 1.00 0.00 C ATOM 655 C MET A 209 -8.327 -2.023 -2.250 1.00 0.00 C ATOM 656 O MET A 209 -7.526 -1.447 -1.534 1.00 0.00 O ATOM 657 CB MET A 209 -9.433 -4.219 -1.905 1.00 0.00 C ATOM 658 CG MET A 209 -10.446 -5.082 -1.157 1.00 0.00 C ATOM 659 SD MET A 209 -9.909 -6.797 -1.007 1.00 0.00 S ATOM 660 CE MET A 209 -10.951 -7.591 -2.225 1.00 0.00 C ATOM 0 H MET A 209 -11.351 -2.830 -2.692 1.00 0.00 H new ATOM 0 HA MET A 209 -9.586 -2.535 -0.574 1.00 0.00 H new ATOM 0 HB2 MET A 209 -9.546 -4.400 -2.974 1.00 0.00 H new ATOM 0 HB3 MET A 209 -8.430 -4.545 -1.630 1.00 0.00 H new ATOM 0 HG2 MET A 209 -10.609 -4.667 -0.162 1.00 0.00 H new ATOM 0 HG3 MET A 209 -11.403 -5.048 -1.678 1.00 0.00 H new ATOM 0 HE1 MET A 209 -11.005 -8.660 -2.017 1.00 0.00 H new ATOM 0 HE2 MET A 209 -11.952 -7.162 -2.183 1.00 0.00 H new ATOM 0 HE3 MET A 209 -10.532 -7.436 -3.219 1.00 0.00 H new ATOM 670 N GLU A 210 -8.240 -2.055 -3.576 1.00 0.00 N ATOM 671 CA GLU A 210 -7.102 -1.499 -4.309 1.00 0.00 C ATOM 672 C GLU A 210 -6.880 -0.023 -3.991 1.00 0.00 C ATOM 673 O GLU A 210 -5.754 0.465 -4.059 1.00 0.00 O ATOM 674 CB GLU A 210 -7.303 -1.682 -5.815 1.00 0.00 C ATOM 675 CG GLU A 210 -7.453 -3.138 -6.241 1.00 0.00 C ATOM 676 CD GLU A 210 -7.709 -3.296 -7.725 1.00 0.00 C ATOM 677 OE1 GLU A 210 -8.721 -2.750 -8.218 1.00 0.00 O ATOM 678 OE2 GLU A 210 -6.912 -3.974 -8.405 1.00 0.00 O ATOM 0 H GLU A 210 -8.955 -2.467 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 210 -6.213 -2.043 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 210 -8.190 -1.129 -6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 210 -6.455 -1.244 -6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 210 -6.548 -3.684 -5.974 1.00 0.00 H new ATOM 0 HG3 GLU A 210 -8.275 -3.591 -5.686 1.00 0.00 H new ATOM 685 N ARG A 211 -7.947 0.690 -3.639 1.00 0.00 N ATOM 686 CA ARG A 211 -7.823 2.097 -3.263 1.00 0.00 C ATOM 687 C ARG A 211 -7.005 2.201 -1.983 1.00 0.00 C ATOM 688 O ARG A 211 -6.040 2.968 -1.881 1.00 0.00 O ATOM 689 CB ARG A 211 -9.196 2.746 -3.037 1.00 0.00 C ATOM 690 CG ARG A 211 -10.302 2.245 -3.956 1.00 0.00 C ATOM 691 CD ARG A 211 -9.915 2.317 -5.433 1.00 0.00 C ATOM 692 NE ARG A 211 -9.711 3.694 -5.880 1.00 0.00 N ATOM 693 CZ ARG A 211 -8.528 4.187 -6.248 1.00 0.00 C ATOM 694 NH1 ARG A 211 -7.472 3.385 -6.317 1.00 0.00 N ATOM 695 NH2 ARG A 211 -8.409 5.468 -6.562 1.00 0.00 N ATOM 0 H ARG A 211 -8.898 0.322 -3.606 1.00 0.00 H new ATOM 0 HA ARG A 211 -7.329 2.624 -4.079 1.00 0.00 H new ATOM 0 HB2 ARG A 211 -9.497 2.574 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 211 -9.098 3.824 -3.165 1.00 0.00 H new ATOM 0 HG2 ARG A 211 -10.545 1.214 -3.698 1.00 0.00 H new ATOM 0 HG3 ARG A 211 -11.203 2.836 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 211 -9.002 1.744 -5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 211 -10.696 1.852 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 211 -10.521 4.314 -5.912 1.00 0.00 H new ATOM 0 HH11 ARG A 211 -7.567 2.395 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 211 -6.565 3.759 -6.598 1.00 0.00 H new ATOM 0 HH21 ARG A 211 -9.224 6.081 -6.523 1.00 0.00 H new ATOM 0 HH22 ARG A 211 -7.503 5.842 -6.843 1.00 0.00 H new ATOM 709 N VAL A 212 -7.399 1.398 -1.016 1.00 0.00 N ATOM 710 CA VAL A 212 -6.703 1.321 0.256 1.00 0.00 C ATOM 711 C VAL A 212 -5.327 0.708 0.058 1.00 0.00 C ATOM 712 O VAL A 212 -4.386 1.042 0.758 1.00 0.00 O ATOM 713 CB VAL A 212 -7.498 0.475 1.269 1.00 0.00 C ATOM 714 CG1 VAL A 212 -6.952 0.655 2.678 1.00 0.00 C ATOM 715 CG2 VAL A 212 -8.975 0.830 1.204 1.00 0.00 C ATOM 0 H VAL A 212 -8.208 0.781 -1.087 1.00 0.00 H new ATOM 0 HA VAL A 212 -6.602 2.333 0.648 1.00 0.00 H new ATOM 0 HB VAL A 212 -7.385 -0.577 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 212 -7.531 0.047 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 212 -5.908 0.343 2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 212 -7.025 1.704 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 212 -9.526 0.226 1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 212 -9.106 1.886 1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 212 -9.353 0.633 0.201 1.00 0.00 H new ATOM 725 N VAL A 213 -5.238 -0.197 -0.903 1.00 0.00 N ATOM 726 CA VAL A 213 -4.003 -0.907 -1.214 1.00 0.00 C ATOM 727 C VAL A 213 -2.936 0.002 -1.822 1.00 0.00 C ATOM 728 O VAL A 213 -1.770 -0.067 -1.427 1.00 0.00 O ATOM 729 CB VAL A 213 -4.263 -2.083 -2.169 1.00 0.00 C ATOM 730 CG1 VAL A 213 -2.961 -2.609 -2.725 1.00 0.00 C ATOM 731 CG2 VAL A 213 -5.013 -3.193 -1.455 1.00 0.00 C ATOM 0 H VAL A 213 -6.025 -0.463 -1.495 1.00 0.00 H new ATOM 0 HA VAL A 213 -3.627 -1.281 -0.262 1.00 0.00 H new ATOM 0 HB VAL A 213 -4.876 -1.724 -2.995 1.00 0.00 H new ATOM 0 HG11 VAL A 213 -3.163 -3.441 -3.399 1.00 0.00 H new ATOM 0 HG12 VAL A 213 -2.451 -1.815 -3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 213 -2.327 -2.951 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 213 -5.188 -4.017 -2.147 1.00 0.00 H new ATOM 0 HG22 VAL A 213 -4.421 -3.547 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 213 -5.969 -2.813 -1.094 1.00 0.00 H new ATOM 741 N GLU A 214 -3.308 0.839 -2.789 1.00 0.00 N ATOM 742 CA GLU A 214 -2.340 1.769 -3.352 1.00 0.00 C ATOM 743 C GLU A 214 -1.806 2.655 -2.241 1.00 0.00 C ATOM 744 O GLU A 214 -0.604 2.874 -2.134 1.00 0.00 O ATOM 745 CB GLU A 214 -2.923 2.606 -4.501 1.00 0.00 C ATOM 746 CG GLU A 214 -4.130 3.445 -4.129 1.00 0.00 C ATOM 747 CD GLU A 214 -4.530 4.402 -5.232 1.00 0.00 C ATOM 748 OE1 GLU A 214 -4.944 3.935 -6.309 1.00 0.00 O ATOM 749 OE2 GLU A 214 -4.426 5.626 -5.026 1.00 0.00 O ATOM 0 H GLU A 214 -4.245 0.891 -3.188 1.00 0.00 H new ATOM 0 HA GLU A 214 -1.524 1.193 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 214 -2.144 3.266 -4.883 1.00 0.00 H new ATOM 0 HB3 GLU A 214 -3.201 1.936 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 214 -4.969 2.788 -3.900 1.00 0.00 H new ATOM 0 HG3 GLU A 214 -3.911 4.010 -3.223 1.00 0.00 H new ATOM 756 N GLN A 215 -2.703 3.107 -1.377 1.00 0.00 N ATOM 757 CA GLN A 215 -2.306 3.843 -0.188 1.00 0.00 C ATOM 758 C GLN A 215 -1.539 2.953 0.783 1.00 0.00 C ATOM 759 O GLN A 215 -0.741 3.445 1.553 1.00 0.00 O ATOM 760 CB GLN A 215 -3.522 4.460 0.498 1.00 0.00 C ATOM 761 CG GLN A 215 -4.067 5.683 -0.222 1.00 0.00 C ATOM 762 CD GLN A 215 -3.116 6.865 -0.169 1.00 0.00 C ATOM 763 OE1 GLN A 215 -3.151 7.658 0.768 1.00 0.00 O ATOM 764 NE2 GLN A 215 -2.267 7.000 -1.175 1.00 0.00 N ATOM 0 H GLN A 215 -3.710 2.977 -1.478 1.00 0.00 H new ATOM 0 HA GLN A 215 -1.642 4.648 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -4.309 3.709 0.570 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -3.253 4.738 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -4.266 5.428 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -5.020 5.968 0.224 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -2.267 6.321 -1.937 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -1.613 7.783 -1.189 1.00 0.00 H new ATOM 773 N MET A 216 -1.787 1.650 0.748 1.00 0.00 N ATOM 774 CA MET A 216 -1.121 0.715 1.652 1.00 0.00 C ATOM 775 C MET A 216 0.377 0.668 1.374 1.00 0.00 C ATOM 776 O MET A 216 1.196 0.844 2.280 1.00 0.00 O ATOM 777 CB MET A 216 -1.755 -0.686 1.556 1.00 0.00 C ATOM 778 CG MET A 216 -1.099 -1.724 2.456 1.00 0.00 C ATOM 779 SD MET A 216 -2.196 -3.104 2.881 1.00 0.00 S ATOM 780 CE MET A 216 -2.458 -3.886 1.288 1.00 0.00 C ATOM 0 H MET A 216 -2.446 1.214 0.103 1.00 0.00 H new ATOM 0 HA MET A 216 -1.258 1.070 2.673 1.00 0.00 H new ATOM 0 HB2 MET A 216 -2.812 -0.614 1.812 1.00 0.00 H new ATOM 0 HB3 MET A 216 -1.700 -1.029 0.523 1.00 0.00 H new ATOM 0 HG2 MET A 216 -0.211 -2.115 1.960 1.00 0.00 H new ATOM 0 HG3 MET A 216 -0.764 -1.239 3.373 1.00 0.00 H new ATOM 0 HE1 MET A 216 -3.443 -4.353 1.269 1.00 0.00 H new ATOM 0 HE2 MET A 216 -2.397 -3.135 0.500 1.00 0.00 H new ATOM 0 HE3 MET A 216 -1.693 -4.646 1.125 1.00 0.00 H new ATOM 790 N CYS A 217 0.732 0.468 0.119 1.00 0.00 N ATOM 791 CA CYS A 217 2.140 0.459 -0.275 1.00 0.00 C ATOM 792 C CYS A 217 2.717 1.864 -0.295 1.00 0.00 C ATOM 793 O CYS A 217 3.858 2.074 0.106 1.00 0.00 O ATOM 794 CB CYS A 217 2.344 -0.202 -1.637 1.00 0.00 C ATOM 795 SG CYS A 217 2.692 -1.984 -1.531 1.00 0.00 S ATOM 0 H CYS A 217 0.075 0.310 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 217 2.670 -0.129 0.474 1.00 0.00 H new ATOM 0 HB2 CYS A 217 1.452 -0.049 -2.244 1.00 0.00 H new ATOM 0 HB3 CYS A 217 3.168 0.291 -2.152 1.00 0.00 H new ATOM 800 N ILE A 218 1.929 2.827 -0.750 1.00 0.00 N ATOM 801 CA ILE A 218 2.382 4.209 -0.805 1.00 0.00 C ATOM 802 C ILE A 218 2.621 4.754 0.602 1.00 0.00 C ATOM 803 O ILE A 218 3.557 5.512 0.829 1.00 0.00 O ATOM 804 CB ILE A 218 1.389 5.087 -1.604 1.00 0.00 C ATOM 805 CG1 ILE A 218 1.497 4.747 -3.089 1.00 0.00 C ATOM 806 CG2 ILE A 218 1.656 6.562 -1.396 1.00 0.00 C ATOM 807 CD1 ILE A 218 0.436 5.389 -3.959 1.00 0.00 C ATOM 0 H ILE A 218 0.977 2.678 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 218 3.334 4.240 -1.334 1.00 0.00 H new ATOM 0 HB ILE A 218 0.382 4.878 -1.243 1.00 0.00 H new ATOM 0 HG12 ILE A 218 2.479 5.055 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 218 1.439 3.665 -3.206 1.00 0.00 H new ATOM 0 HG21 ILE A 218 0.939 7.146 -1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 218 1.554 6.805 -0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 218 2.667 6.799 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 218 0.589 5.094 -4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 218 -0.551 5.062 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 218 0.505 6.474 -3.877 1.00 0.00 H new ATOM 819 N THR A 219 1.794 4.338 1.544 1.00 0.00 N ATOM 820 CA THR A 219 2.034 4.628 2.953 1.00 0.00 C ATOM 821 C THR A 219 3.388 4.082 3.401 1.00 0.00 C ATOM 822 O THR A 219 4.165 4.782 4.049 1.00 0.00 O ATOM 823 CB THR A 219 0.911 4.043 3.842 1.00 0.00 C ATOM 824 OG1 THR A 219 -0.277 4.825 3.710 1.00 0.00 O ATOM 825 CG2 THR A 219 1.317 3.973 5.304 1.00 0.00 C ATOM 0 H THR A 219 0.948 3.797 1.362 1.00 0.00 H new ATOM 0 HA THR A 219 2.038 5.712 3.067 1.00 0.00 H new ATOM 0 HB THR A 219 0.724 3.025 3.500 1.00 0.00 H new ATOM 0 HG1 THR A 219 -0.877 4.402 3.061 1.00 0.00 H new ATOM 0 HG21 THR A 219 0.498 3.556 5.890 1.00 0.00 H new ATOM 0 HG22 THR A 219 2.197 3.338 5.407 1.00 0.00 H new ATOM 0 HG23 THR A 219 1.548 4.975 5.666 1.00 0.00 H new ATOM 833 N GLN A 220 3.671 2.840 3.042 1.00 0.00 N ATOM 834 CA GLN A 220 4.941 2.215 3.409 1.00 0.00 C ATOM 835 C GLN A 220 6.109 2.872 2.686 1.00 0.00 C ATOM 836 O GLN A 220 7.225 2.915 3.198 1.00 0.00 O ATOM 837 CB GLN A 220 4.911 0.716 3.123 1.00 0.00 C ATOM 838 CG GLN A 220 3.920 -0.027 3.996 1.00 0.00 C ATOM 839 CD GLN A 220 4.007 0.420 5.443 1.00 0.00 C ATOM 840 OE1 GLN A 220 3.274 1.309 5.874 1.00 0.00 O ATOM 841 NE2 GLN A 220 4.932 -0.158 6.189 1.00 0.00 N ATOM 0 H GLN A 220 3.045 2.244 2.500 1.00 0.00 H new ATOM 0 HA GLN A 220 5.083 2.359 4.480 1.00 0.00 H new ATOM 0 HB2 GLN A 220 4.657 0.555 2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 220 5.907 0.301 3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 220 2.909 0.139 3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 220 4.111 -1.098 3.933 1.00 0.00 H new ATOM 0 HE21 GLN A 220 5.520 -0.892 5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 220 5.058 0.130 7.159 1.00 0.00 H new ATOM 850 N TYR A 221 5.841 3.393 1.505 1.00 0.00 N ATOM 851 CA TYR A 221 6.847 4.104 0.740 1.00 0.00 C ATOM 852 C TYR A 221 7.102 5.484 1.351 1.00 0.00 C ATOM 853 O TYR A 221 8.241 5.952 1.391 1.00 0.00 O ATOM 854 CB TYR A 221 6.415 4.160 -0.732 1.00 0.00 C ATOM 855 CG TYR A 221 6.420 5.523 -1.382 1.00 0.00 C ATOM 856 CD1 TYR A 221 7.591 6.081 -1.862 1.00 0.00 C ATOM 857 CD2 TYR A 221 5.241 6.237 -1.542 1.00 0.00 C ATOM 858 CE1 TYR A 221 7.589 7.311 -2.479 1.00 0.00 C ATOM 859 CE2 TYR A 221 5.233 7.470 -2.154 1.00 0.00 C ATOM 860 CZ TYR A 221 6.410 8.003 -2.622 1.00 0.00 C ATOM 861 OH TYR A 221 6.406 9.230 -3.245 1.00 0.00 O ATOM 0 H TYR A 221 4.929 3.337 1.052 1.00 0.00 H new ATOM 0 HA TYR A 221 7.800 3.576 0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 221 7.071 3.506 -1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 221 5.408 3.749 -0.809 1.00 0.00 H new ATOM 0 HD1 TYR A 221 8.521 5.543 -1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 221 4.314 5.818 -1.180 1.00 0.00 H new ATOM 0 HE1 TYR A 221 8.512 7.732 -2.850 1.00 0.00 H new ATOM 0 HE2 TYR A 221 4.307 8.015 -2.266 1.00 0.00 H new ATOM 0 HH TYR A 221 7.230 9.712 -3.023 1.00 0.00 H new ATOM 871 N GLN A 222 6.045 6.123 1.854 1.00 0.00 N ATOM 872 CA GLN A 222 6.199 7.331 2.648 1.00 0.00 C ATOM 873 C GLN A 222 6.998 7.015 3.905 1.00 0.00 C ATOM 874 O GLN A 222 7.863 7.788 4.324 1.00 0.00 O ATOM 875 CB GLN A 222 4.842 7.897 3.028 1.00 0.00 C ATOM 876 CG GLN A 222 4.038 8.384 1.842 1.00 0.00 C ATOM 877 CD GLN A 222 4.668 9.561 1.116 1.00 0.00 C ATOM 878 OE1 GLN A 222 5.419 10.346 1.694 1.00 0.00 O ATOM 879 NE2 GLN A 222 4.332 9.710 -0.156 1.00 0.00 N ATOM 0 H GLN A 222 5.079 5.822 1.724 1.00 0.00 H new ATOM 0 HA GLN A 222 6.730 8.076 2.055 1.00 0.00 H new ATOM 0 HB2 GLN A 222 4.272 7.131 3.554 1.00 0.00 H new ATOM 0 HB3 GLN A 222 4.984 8.723 3.725 1.00 0.00 H new ATOM 0 HG2 GLN A 222 3.911 7.561 1.139 1.00 0.00 H new ATOM 0 HG3 GLN A 222 3.043 8.669 2.182 1.00 0.00 H new ATOM 0 HE21 GLN A 222 3.707 9.038 -0.600 1.00 0.00 H new ATOM 0 HE22 GLN A 222 4.699 10.497 -0.692 1.00 0.00 H new ATOM 888 N ARG A 223 6.707 5.854 4.490 1.00 0.00 N ATOM 889 CA ARG A 223 7.398 5.389 5.686 1.00 0.00 C ATOM 890 C ARG A 223 8.893 5.261 5.436 1.00 0.00 C ATOM 891 O ARG A 223 9.692 5.581 6.306 1.00 0.00 O ATOM 892 CB ARG A 223 6.834 4.045 6.164 1.00 0.00 C ATOM 893 CG ARG A 223 7.597 3.451 7.339 1.00 0.00 C ATOM 894 CD ARG A 223 7.481 4.311 8.588 1.00 0.00 C ATOM 895 NE ARG A 223 6.092 4.499 9.009 1.00 0.00 N ATOM 896 CZ ARG A 223 5.729 5.092 10.148 1.00 0.00 C ATOM 897 NH1 ARG A 223 6.647 5.447 11.042 1.00 0.00 N ATOM 898 NH2 ARG A 223 4.443 5.286 10.416 1.00 0.00 N ATOM 0 H ARG A 223 5.989 5.214 4.149 1.00 0.00 H new ATOM 0 HA ARG A 223 7.235 6.132 6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 223 5.790 4.178 6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 223 6.850 3.337 5.335 1.00 0.00 H new ATOM 0 HG2 ARG A 223 7.216 2.452 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 223 8.648 3.342 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 223 8.044 3.848 9.398 1.00 0.00 H new ATOM 0 HD3 ARG A 223 7.936 5.284 8.400 1.00 0.00 H new ATOM 0 HE ARG A 223 5.355 4.155 8.393 1.00 0.00 H new ATOM 0 HH11 ARG A 223 7.634 5.266 10.859 1.00 0.00 H new ATOM 0 HH12 ARG A 223 6.364 5.900 11.911 1.00 0.00 H new ATOM 0 HH21 ARG A 223 3.732 4.982 9.751 1.00 0.00 H new ATOM 0 HH22 ARG A 223 4.166 5.739 11.287 1.00 0.00 H new ATOM 912 N GLU A 224 9.270 4.801 4.252 1.00 0.00 N ATOM 913 CA GLU A 224 10.680 4.668 3.922 1.00 0.00 C ATOM 914 C GLU A 224 11.333 6.035 3.857 1.00 0.00 C ATOM 915 O GLU A 224 12.392 6.268 4.438 1.00 0.00 O ATOM 916 CB GLU A 224 10.889 3.980 2.577 1.00 0.00 C ATOM 917 CG GLU A 224 12.260 3.360 2.481 1.00 0.00 C ATOM 918 CD GLU A 224 12.367 2.110 3.327 1.00 0.00 C ATOM 919 OE1 GLU A 224 11.992 1.023 2.844 1.00 0.00 O ATOM 920 OE2 GLU A 224 12.800 2.212 4.491 1.00 0.00 O ATOM 0 H GLU A 224 8.628 4.517 3.512 1.00 0.00 H new ATOM 0 HA GLU A 224 11.131 4.060 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 224 10.130 3.210 2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 224 10.759 4.704 1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 224 12.477 3.116 1.441 1.00 0.00 H new ATOM 0 HG3 GLU A 224 13.010 4.083 2.802 1.00 0.00 H new ATOM 927 N SER A 225 10.686 6.939 3.146 1.00 0.00 N ATOM 928 CA SER A 225 11.211 8.272 2.960 1.00 0.00 C ATOM 929 C SER A 225 11.355 8.985 4.296 1.00 0.00 C ATOM 930 O SER A 225 12.347 9.670 4.531 1.00 0.00 O ATOM 931 CB SER A 225 10.301 9.061 2.012 1.00 0.00 C ATOM 932 OG SER A 225 10.773 10.382 1.818 1.00 0.00 O ATOM 0 H SER A 225 9.791 6.770 2.687 1.00 0.00 H new ATOM 0 HA SER A 225 12.203 8.202 2.513 1.00 0.00 H new ATOM 0 HB2 SER A 225 10.244 8.549 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 225 9.290 9.091 2.418 1.00 0.00 H new ATOM 0 HG SER A 225 10.200 11.009 2.307 1.00 0.00 H new ATOM 938 N GLN A 226 10.374 8.822 5.172 1.00 0.00 N ATOM 939 CA GLN A 226 10.451 9.408 6.500 1.00 0.00 C ATOM 940 C GLN A 226 11.495 8.683 7.333 1.00 0.00 C ATOM 941 O GLN A 226 12.161 9.287 8.173 1.00 0.00 O ATOM 942 CB GLN A 226 9.085 9.395 7.197 1.00 0.00 C ATOM 943 CG GLN A 226 8.625 8.034 7.688 1.00 0.00 C ATOM 944 CD GLN A 226 8.811 7.848 9.183 1.00 0.00 C ATOM 945 OE1 GLN A 226 9.952 7.308 9.583 1.00 0.00 O flip ATOM 946 NE2 GLN A 226 7.930 8.182 9.972 1.00 0.00 N flip ATOM 0 H GLN A 226 9.522 8.293 4.988 1.00 0.00 H new ATOM 0 HA GLN A 226 10.752 10.450 6.396 1.00 0.00 H new ATOM 0 HB2 GLN A 226 9.121 10.077 8.046 1.00 0.00 H new ATOM 0 HB3 GLN A 226 8.338 9.786 6.506 1.00 0.00 H new ATOM 0 HG2 GLN A 226 7.572 7.901 7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 226 9.178 7.257 7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 226 7.064 8.595 9.625 1.00 0.00 H new ATOM 0 HE22 GLN A 226 8.064 8.046 10.974 1.00 0.00 H new ATOM 955 N ALA A 227 11.629 7.383 7.083 1.00 0.00 N ATOM 956 CA ALA A 227 12.574 6.547 7.807 1.00 0.00 C ATOM 957 C ALA A 227 13.986 7.116 7.731 1.00 0.00 C ATOM 958 O ALA A 227 14.641 7.285 8.759 1.00 0.00 O ATOM 959 CB ALA A 227 12.530 5.115 7.288 1.00 0.00 C ATOM 0 H ALA A 227 11.088 6.885 6.377 1.00 0.00 H new ATOM 0 HA ALA A 227 12.281 6.537 8.857 1.00 0.00 H new ATOM 0 HB1 ALA A 227 13.244 4.505 7.842 1.00 0.00 H new ATOM 0 HB2 ALA A 227 11.527 4.710 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 227 12.788 5.104 6.229 1.00 0.00 H new ATOM 965 N TYR A 228 14.459 7.430 6.528 1.00 0.00 N ATOM 966 CA TYR A 228 15.778 8.023 6.405 1.00 0.00 C ATOM 967 C TYR A 228 15.695 9.540 6.472 1.00 0.00 C ATOM 968 O TYR A 228 16.665 10.213 6.825 1.00 0.00 O ATOM 969 CB TYR A 228 16.460 7.593 5.106 1.00 0.00 C ATOM 970 CG TYR A 228 17.838 8.184 4.912 1.00 0.00 C ATOM 971 CD1 TYR A 228 18.958 7.594 5.487 1.00 0.00 C ATOM 972 CD2 TYR A 228 18.019 9.340 4.163 1.00 0.00 C ATOM 973 CE1 TYR A 228 20.215 8.138 5.317 1.00 0.00 C ATOM 974 CE2 TYR A 228 19.273 9.889 3.990 1.00 0.00 C ATOM 975 CZ TYR A 228 20.368 9.285 4.571 1.00 0.00 C ATOM 976 OH TYR A 228 21.625 9.824 4.394 1.00 0.00 O ATOM 0 H TYR A 228 13.961 7.287 5.649 1.00 0.00 H new ATOM 0 HA TYR A 228 16.378 7.666 7.242 1.00 0.00 H new ATOM 0 HB2 TYR A 228 16.536 6.506 5.090 1.00 0.00 H new ATOM 0 HB3 TYR A 228 15.830 7.881 4.264 1.00 0.00 H new ATOM 0 HD1 TYR A 228 18.843 6.696 6.076 1.00 0.00 H new ATOM 0 HD2 TYR A 228 17.163 9.817 3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 228 21.075 7.666 5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 228 19.396 10.787 3.403 1.00 0.00 H new ATOM 0 HH TYR A 228 21.560 10.631 3.842 1.00 0.00 H new ATOM 986 N TYR A 229 14.510 10.056 6.159 1.00 0.00 N ATOM 987 CA TYR A 229 14.302 11.480 5.925 1.00 0.00 C ATOM 988 C TYR A 229 15.019 11.872 4.634 1.00 0.00 C ATOM 989 O TYR A 229 15.738 12.867 4.573 1.00 0.00 O ATOM 990 CB TYR A 229 14.771 12.329 7.121 1.00 0.00 C ATOM 991 CG TYR A 229 14.407 13.797 7.020 1.00 0.00 C ATOM 992 CD1 TYR A 229 13.084 14.198 6.889 1.00 0.00 C ATOM 993 CD2 TYR A 229 15.387 14.782 7.069 1.00 0.00 C ATOM 994 CE1 TYR A 229 12.748 15.534 6.800 1.00 0.00 C ATOM 995 CE2 TYR A 229 15.058 16.120 6.981 1.00 0.00 C ATOM 996 CZ TYR A 229 13.737 16.492 6.849 1.00 0.00 C ATOM 997 OH TYR A 229 13.405 17.823 6.764 1.00 0.00 O ATOM 0 H TYR A 229 13.664 9.495 6.060 1.00 0.00 H new ATOM 0 HA TYR A 229 13.235 11.676 5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 229 14.338 11.921 8.034 1.00 0.00 H new ATOM 0 HB3 TYR A 229 15.853 12.240 7.214 1.00 0.00 H new ATOM 0 HD1 TYR A 229 12.304 13.452 6.856 1.00 0.00 H new ATOM 0 HD2 TYR A 229 16.423 14.496 7.178 1.00 0.00 H new ATOM 0 HE1 TYR A 229 11.714 15.827 6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 229 15.832 16.872 7.015 1.00 0.00 H new ATOM 0 HH TYR A 229 14.219 18.367 6.816 1.00 0.00 H new ATOM 1007 N GLN A 230 14.822 11.049 3.604 1.00 0.00 N ATOM 1008 CA GLN A 230 15.398 11.307 2.290 1.00 0.00 C ATOM 1009 C GLN A 230 14.789 12.581 1.705 1.00 0.00 C ATOM 1010 O GLN A 230 15.451 13.615 1.655 1.00 0.00 O ATOM 1011 CB GLN A 230 15.218 10.097 1.372 1.00 0.00 C ATOM 1012 CG GLN A 230 13.851 9.533 1.409 1.00 0.00 C ATOM 1013 CD GLN A 230 13.610 8.518 0.316 1.00 0.00 C ATOM 1014 OE1 GLN A 230 12.858 7.565 0.500 1.00 0.00 O ATOM 1015 NE2 GLN A 230 14.239 8.720 -0.837 1.00 0.00 N ATOM 0 H GLN A 230 14.265 10.196 3.658 1.00 0.00 H new ATOM 0 HA GLN A 230 16.472 11.466 2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 230 15.456 10.387 0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 230 15.931 9.323 1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 230 13.682 9.064 2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 230 13.126 10.341 1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 230 14.855 9.525 -0.947 1.00 0.00 H new ATOM 0 HE22 GLN A 230 14.105 8.070 -1.612 1.00 0.00 H new ATOM 1024 N ARG A 231 13.546 12.513 1.241 1.00 0.00 N ATOM 1025 CA ARG A 231 12.754 13.722 1.072 1.00 0.00 C ATOM 1026 C ARG A 231 12.004 13.967 2.377 1.00 0.00 C ATOM 1027 O ARG A 231 11.722 15.104 2.758 1.00 0.00 O ATOM 1028 CB ARG A 231 11.804 13.633 -0.144 1.00 0.00 C ATOM 1029 CG ARG A 231 10.445 12.990 0.114 1.00 0.00 C ATOM 1030 CD ARG A 231 9.389 14.020 0.510 1.00 0.00 C ATOM 1031 NE ARG A 231 8.074 13.404 0.710 1.00 0.00 N ATOM 1032 CZ ARG A 231 7.138 13.871 1.540 1.00 0.00 C ATOM 1033 NH1 ARG A 231 7.332 15.000 2.211 1.00 0.00 N ATOM 1034 NH2 ARG A 231 5.998 13.206 1.692 1.00 0.00 N ATOM 0 H ARG A 231 13.073 11.648 0.979 1.00 0.00 H new ATOM 0 HA ARG A 231 13.407 14.568 0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 231 11.640 14.641 -0.526 1.00 0.00 H new ATOM 0 HB3 ARG A 231 12.306 13.071 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 231 10.118 12.462 -0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 231 10.540 12.246 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 231 9.698 14.523 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 231 9.318 14.784 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 231 7.859 12.560 0.178 1.00 0.00 H new ATOM 0 HH11 ARG A 231 8.202 15.519 2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 231 6.611 15.348 2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 231 5.839 12.341 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 231 5.281 13.560 2.325 1.00 0.00 H new ATOM 1048 N GLY A 232 11.697 12.865 3.061 1.00 0.00 N ATOM 1049 CA GLY A 232 11.018 12.925 4.329 1.00 0.00 C ATOM 1050 C GLY A 232 9.580 12.539 4.149 1.00 0.00 C ATOM 1051 O GLY A 232 9.203 12.123 3.055 1.00 0.00 O ATOM 0 H GLY A 232 11.915 11.920 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 232 11.498 12.255 5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 232 11.086 13.931 4.742 1.00 0.00 H new ATOM 1055 N ALA A 233 8.779 12.653 5.190 1.00 0.00 N ATOM 1056 CA ALA A 233 7.371 12.301 5.089 1.00 0.00 C ATOM 1057 C ALA A 233 6.634 12.615 6.380 1.00 0.00 C ATOM 1058 O ALA A 233 6.864 11.982 7.414 1.00 0.00 O ATOM 1059 CB ALA A 233 7.227 10.834 4.719 1.00 0.00 C ATOM 0 H ALA A 233 9.073 12.983 6.109 1.00 0.00 H new ATOM 0 HA ALA A 233 6.919 12.903 4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 233 6.170 10.579 4.646 1.00 0.00 H new ATOM 0 HB2 ALA A 233 7.712 10.651 3.760 1.00 0.00 H new ATOM 0 HB3 ALA A 233 7.696 10.218 5.486 1.00 0.00 H new ATOM 1065 N SER A 234 5.774 13.614 6.311 1.00 0.00 N ATOM 1066 CA SER A 234 4.977 14.033 7.445 1.00 0.00 C ATOM 1067 C SER A 234 3.848 14.931 6.953 1.00 0.00 C ATOM 1068 O SER A 234 2.688 14.471 6.929 1.00 0.00 O ATOM 1069 CB SER A 234 5.848 14.759 8.480 1.00 0.00 C ATOM 1070 OG SER A 234 5.099 15.131 9.627 1.00 0.00 O ATOM 1071 OXT SER A 234 4.132 16.080 6.551 1.00 0.00 O ATOM 0 H SER A 234 5.609 14.158 5.464 1.00 0.00 H new ATOM 0 HA SER A 234 4.550 13.158 7.934 1.00 0.00 H new ATOM 0 HB2 SER A 234 6.674 14.113 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 234 6.286 15.648 8.027 1.00 0.00 H new ATOM 0 HG SER A 234 5.684 15.589 10.266 1.00 0.00 H new TER 1077 SER A 234