USER MOD reduce.3.24.130724 H: found=0, std=0, add=379, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 380 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 187 SER OG : rot -133:sc= -0.523 USER MOD Set 1.2: A 190 ASN : amide:sc= -7.04! C(o=-7.6!,f=-7.5!) USER MOD Set 2.1: A 166 MET CE :methyl -160:sc= -6.23! (180deg=-3.87!) USER MOD Set 2.2: A 189 ASN : amide:sc= -4.86! C(o=-11!,f=-18!) USER MOD Single : A 156 THR OG1 : rot -31:sc= 0.535 USER MOD Single : A 159 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 SER OG : rot 180:sc= -0.214 USER MOD Single : A 163 TYR OH : rot 165:sc= -0.292 USER MOD Single : A 165 THR OG1 : rot 69:sc= 0.478 USER MOD Single : A 168 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 MET CE :methyl -121:sc= -13.4! (180deg=-15!) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 173 MET CE :methyl 177:sc= -10.8! (180deg=-11.4!) USER MOD Single : A 175 TYR OH : rot 180:sc= 0 USER MOD Single : A 188 TYR OH : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc=-0.00606 X(o=-0.0061,f=-0.0067) USER MOD Single : A 197 TYR OH : rot -162:sc= -0.814! USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 156 -9.394 15.117 -7.457 1.00 0.00 N ATOM 2 CA THR A 156 -10.327 14.842 -6.334 1.00 0.00 C ATOM 3 C THR A 156 -9.611 14.153 -5.178 1.00 0.00 C ATOM 4 O THR A 156 -8.821 13.232 -5.386 1.00 0.00 O ATOM 5 CB THR A 156 -11.465 13.960 -6.851 1.00 0.00 C ATOM 6 OG1 THR A 156 -10.979 13.012 -7.782 1.00 0.00 O ATOM 7 CG2 THR A 156 -12.570 14.744 -7.526 1.00 0.00 C ATOM 0 HA THR A 156 -10.723 15.786 -5.959 1.00 0.00 H new ATOM 0 HB THR A 156 -11.877 13.471 -5.968 1.00 0.00 H new ATOM 0 HG1 THR A 156 -10.211 13.388 -8.261 1.00 0.00 H new ATOM 0 HG21 THR A 156 -13.345 14.059 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 156 -12.999 15.452 -6.817 1.00 0.00 H new ATOM 0 HG23 THR A 156 -12.162 15.287 -8.379 1.00 0.00 H new ATOM 16 N LEU A 157 -9.893 14.605 -3.962 1.00 0.00 N ATOM 17 CA LEU A 157 -9.276 14.031 -2.772 1.00 0.00 C ATOM 18 C LEU A 157 -9.803 12.624 -2.511 1.00 0.00 C ATOM 19 O LEU A 157 -10.818 12.215 -3.076 1.00 0.00 O ATOM 20 CB LEU A 157 -9.537 14.922 -1.557 1.00 0.00 C ATOM 21 CG LEU A 157 -8.289 15.332 -0.775 1.00 0.00 C ATOM 22 CD1 LEU A 157 -7.230 15.888 -1.714 1.00 0.00 C ATOM 23 CD2 LEU A 157 -8.644 16.354 0.294 1.00 0.00 C ATOM 0 H LEU A 157 -10.545 15.367 -3.774 1.00 0.00 H new ATOM 0 HA LEU A 157 -8.201 13.970 -2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 157 -10.051 15.824 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 157 -10.215 14.400 -0.882 1.00 0.00 H new ATOM 0 HG LEU A 157 -7.883 14.447 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 157 -6.349 16.175 -1.140 1.00 0.00 H new ATOM 0 HD12 LEU A 157 -6.955 15.127 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 157 -7.626 16.762 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 157 -7.744 16.635 0.842 1.00 0.00 H new ATOM 0 HD22 LEU A 157 -9.074 17.238 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 157 -9.369 15.922 0.984 1.00 0.00 H new ATOM 35 N VAL A 158 -9.109 11.889 -1.650 1.00 0.00 N ATOM 36 CA VAL A 158 -9.508 10.527 -1.314 1.00 0.00 C ATOM 37 C VAL A 158 -9.512 10.314 0.196 1.00 0.00 C ATOM 38 O VAL A 158 -8.456 10.234 0.824 1.00 0.00 O ATOM 39 CB VAL A 158 -8.573 9.491 -1.964 1.00 0.00 C ATOM 40 CG1 VAL A 158 -9.089 8.080 -1.722 1.00 0.00 C ATOM 41 CG2 VAL A 158 -8.426 9.764 -3.452 1.00 0.00 C ATOM 0 H VAL A 158 -8.268 12.213 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 158 -10.517 10.388 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 158 -7.589 9.577 -1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 158 -8.415 7.361 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 158 -9.137 7.889 -0.650 1.00 0.00 H new ATOM 0 HG13 VAL A 158 -10.085 7.978 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 158 -7.762 9.022 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 158 -9.404 9.707 -3.931 1.00 0.00 H new ATOM 0 HG23 VAL A 158 -8.007 10.759 -3.600 1.00 0.00 H new ATOM 51 N THR A 159 -10.706 10.222 0.771 1.00 0.00 N ATOM 52 CA THR A 159 -10.847 10.019 2.206 1.00 0.00 C ATOM 53 C THR A 159 -9.951 8.880 2.685 1.00 0.00 C ATOM 54 O THR A 159 -9.307 8.981 3.729 1.00 0.00 O ATOM 55 CB THR A 159 -12.306 9.720 2.560 1.00 0.00 C ATOM 56 OG1 THR A 159 -13.157 10.748 2.087 1.00 0.00 O ATOM 57 CG2 THR A 159 -12.544 9.574 4.047 1.00 0.00 C ATOM 0 H THR A 159 -11.589 10.285 0.265 1.00 0.00 H new ATOM 0 HA THR A 159 -10.539 10.936 2.709 1.00 0.00 H new ATOM 0 HB THR A 159 -12.531 8.768 2.078 1.00 0.00 H new ATOM 0 HG1 THR A 159 -14.085 10.538 2.321 1.00 0.00 H new ATOM 0 HG21 THR A 159 -13.598 9.363 4.228 1.00 0.00 H new ATOM 0 HG22 THR A 159 -11.938 8.754 4.434 1.00 0.00 H new ATOM 0 HG23 THR A 159 -12.267 10.499 4.552 1.00 0.00 H new ATOM 65 N GLY A 160 -9.916 7.797 1.916 1.00 0.00 N ATOM 66 CA GLY A 160 -9.095 6.657 2.279 1.00 0.00 C ATOM 67 C GLY A 160 -9.608 5.359 1.683 1.00 0.00 C ATOM 68 O GLY A 160 -8.863 4.387 1.564 1.00 0.00 O ATOM 0 H GLY A 160 -10.441 7.688 1.048 1.00 0.00 H new ATOM 0 HA2 GLY A 160 -8.072 6.828 1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 160 -9.063 6.567 3.365 1.00 0.00 H new ATOM 72 N SER A 161 -10.884 5.345 1.312 1.00 0.00 N ATOM 73 CA SER A 161 -11.496 4.157 0.728 1.00 0.00 C ATOM 74 C SER A 161 -10.504 3.415 -0.164 1.00 0.00 C ATOM 75 O SER A 161 -9.922 2.410 0.241 1.00 0.00 O ATOM 76 CB SER A 161 -12.737 4.543 -0.081 1.00 0.00 C ATOM 77 OG SER A 161 -12.993 3.597 -1.104 1.00 0.00 O ATOM 0 H SER A 161 -11.514 6.142 1.405 1.00 0.00 H new ATOM 0 HA SER A 161 -11.791 3.494 1.541 1.00 0.00 H new ATOM 0 HB2 SER A 161 -13.600 4.610 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 161 -12.596 5.530 -0.521 1.00 0.00 H new ATOM 0 HG SER A 161 -13.791 3.865 -1.605 1.00 0.00 H new ATOM 83 N GLU A 162 -10.318 3.919 -1.377 1.00 0.00 N ATOM 84 CA GLU A 162 -9.397 3.305 -2.328 1.00 0.00 C ATOM 85 C GLU A 162 -8.114 2.859 -1.634 1.00 0.00 C ATOM 86 O GLU A 162 -7.545 1.820 -1.968 1.00 0.00 O ATOM 87 CB GLU A 162 -9.064 4.285 -3.453 1.00 0.00 C ATOM 88 CG GLU A 162 -9.003 3.635 -4.825 1.00 0.00 C ATOM 89 CD GLU A 162 -8.787 4.643 -5.935 1.00 0.00 C ATOM 90 OE1 GLU A 162 -9.195 5.811 -5.766 1.00 0.00 O ATOM 91 OE2 GLU A 162 -8.209 4.264 -6.976 1.00 0.00 O ATOM 0 H GLU A 162 -10.792 4.752 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 162 -9.885 2.427 -2.751 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -9.813 5.077 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -8.105 4.757 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -8.196 2.903 -4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -9.930 3.091 -5.008 1.00 0.00 H new ATOM 98 N TYR A 163 -7.667 3.650 -0.664 1.00 0.00 N ATOM 99 CA TYR A 163 -6.452 3.342 0.085 1.00 0.00 C ATOM 100 C TYR A 163 -6.506 1.938 0.658 1.00 0.00 C ATOM 101 O TYR A 163 -5.681 1.086 0.329 1.00 0.00 O ATOM 102 CB TYR A 163 -6.275 4.337 1.228 1.00 0.00 C ATOM 103 CG TYR A 163 -4.839 4.628 1.577 1.00 0.00 C ATOM 104 CD1 TYR A 163 -3.889 4.830 0.589 1.00 0.00 C ATOM 105 CD2 TYR A 163 -4.436 4.700 2.902 1.00 0.00 C ATOM 106 CE1 TYR A 163 -2.576 5.097 0.910 1.00 0.00 C ATOM 107 CE2 TYR A 163 -3.125 4.966 3.233 1.00 0.00 C ATOM 108 CZ TYR A 163 -2.195 5.164 2.233 1.00 0.00 C ATOM 109 OH TYR A 163 -0.885 5.430 2.558 1.00 0.00 O ATOM 0 H TYR A 163 -8.129 4.513 -0.377 1.00 0.00 H new ATOM 0 HA TYR A 163 -5.609 3.412 -0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -6.769 5.271 0.961 1.00 0.00 H new ATOM 0 HB3 TYR A 163 -6.781 3.951 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 163 -4.182 4.777 -0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -5.161 4.545 3.687 1.00 0.00 H new ATOM 0 HE1 TYR A 163 -1.848 5.253 0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -2.827 5.019 4.270 1.00 0.00 H new ATOM 0 HH TYR A 163 -0.827 5.679 3.504 1.00 0.00 H new ATOM 119 N GLU A 164 -7.479 1.709 1.529 1.00 0.00 N ATOM 120 CA GLU A 164 -7.639 0.413 2.161 1.00 0.00 C ATOM 121 C GLU A 164 -7.968 -0.655 1.126 1.00 0.00 C ATOM 122 O GLU A 164 -7.794 -1.846 1.373 1.00 0.00 O ATOM 123 CB GLU A 164 -8.738 0.472 3.223 1.00 0.00 C ATOM 124 CG GLU A 164 -8.213 0.728 4.623 1.00 0.00 C ATOM 125 CD GLU A 164 -8.902 -0.125 5.669 1.00 0.00 C ATOM 126 OE1 GLU A 164 -8.933 -1.362 5.498 1.00 0.00 O ATOM 127 OE2 GLU A 164 -9.411 0.444 6.657 1.00 0.00 O ATOM 0 H GLU A 164 -8.168 2.406 1.812 1.00 0.00 H new ATOM 0 HA GLU A 164 -6.697 0.149 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -9.445 1.258 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.289 -0.468 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.141 0.530 4.647 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -8.349 1.781 4.871 1.00 0.00 H new ATOM 134 N THR A 165 -8.435 -0.219 -0.043 1.00 0.00 N ATOM 135 CA THR A 165 -8.769 -1.146 -1.119 1.00 0.00 C ATOM 136 C THR A 165 -7.499 -1.582 -1.835 1.00 0.00 C ATOM 137 O THR A 165 -7.430 -2.670 -2.406 1.00 0.00 O ATOM 138 CB THR A 165 -9.738 -0.510 -2.110 1.00 0.00 C ATOM 139 OG1 THR A 165 -10.825 0.098 -1.434 1.00 0.00 O ATOM 140 CG2 THR A 165 -10.307 -1.507 -3.093 1.00 0.00 C ATOM 0 H THR A 165 -8.589 0.764 -0.267 1.00 0.00 H new ATOM 0 HA THR A 165 -9.256 -2.018 -0.683 1.00 0.00 H new ATOM 0 HB THR A 165 -9.156 0.232 -2.656 1.00 0.00 H new ATOM 0 HG1 THR A 165 -10.507 0.886 -0.946 1.00 0.00 H new ATOM 0 HG21 THR A 165 -10.990 -0.998 -3.773 1.00 0.00 H new ATOM 0 HG22 THR A 165 -9.496 -1.959 -3.664 1.00 0.00 H new ATOM 0 HG23 THR A 165 -10.847 -2.284 -2.552 1.00 0.00 H new ATOM 148 N MET A 166 -6.485 -0.731 -1.756 1.00 0.00 N ATOM 149 CA MET A 166 -5.190 -1.010 -2.342 1.00 0.00 C ATOM 150 C MET A 166 -4.553 -2.066 -1.516 1.00 0.00 C ATOM 151 O MET A 166 -4.045 -3.077 -1.998 1.00 0.00 O ATOM 152 CB MET A 166 -4.331 0.248 -2.274 1.00 0.00 C ATOM 153 CG MET A 166 -5.093 1.483 -2.660 1.00 0.00 C ATOM 154 SD MET A 166 -4.108 2.671 -3.591 1.00 0.00 S ATOM 155 CE MET A 166 -4.959 4.200 -3.206 1.00 0.00 C ATOM 0 H MET A 166 -6.542 0.171 -1.283 1.00 0.00 H new ATOM 0 HA MET A 166 -5.292 -1.326 -3.380 1.00 0.00 H new ATOM 0 HB2 MET A 166 -3.943 0.365 -1.262 1.00 0.00 H new ATOM 0 HB3 MET A 166 -3.471 0.134 -2.934 1.00 0.00 H new ATOM 0 HG2 MET A 166 -5.959 1.195 -3.255 1.00 0.00 H new ATOM 0 HG3 MET A 166 -5.472 1.964 -1.758 1.00 0.00 H new ATOM 0 HE1 MET A 166 -4.713 4.952 -3.956 1.00 0.00 H new ATOM 0 HE2 MET A 166 -6.035 4.027 -3.205 1.00 0.00 H new ATOM 0 HE3 MET A 166 -4.647 4.552 -2.223 1.00 0.00 H new ATOM 165 N LEU A 167 -4.623 -1.800 -0.245 1.00 0.00 N ATOM 166 CA LEU A 167 -4.098 -2.686 0.743 1.00 0.00 C ATOM 167 C LEU A 167 -4.678 -4.068 0.566 1.00 0.00 C ATOM 168 O LEU A 167 -3.951 -5.026 0.401 1.00 0.00 O ATOM 169 CB LEU A 167 -4.422 -2.156 2.127 1.00 0.00 C ATOM 170 CG LEU A 167 -4.044 -0.696 2.352 1.00 0.00 C ATOM 171 CD1 LEU A 167 -3.768 -0.454 3.838 1.00 0.00 C ATOM 172 CD2 LEU A 167 -2.763 -0.371 1.586 1.00 0.00 C ATOM 0 H LEU A 167 -5.050 -0.955 0.135 1.00 0.00 H new ATOM 0 HA LEU A 167 -3.016 -2.747 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 167 -5.491 -2.273 2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 167 -3.907 -2.769 2.866 1.00 0.00 H new ATOM 0 HG LEU A 167 -4.867 -0.070 2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -3.498 0.591 3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -4.662 -0.688 4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -2.947 -1.093 4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 167 -2.496 0.673 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 167 -1.955 -1.011 1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 167 -2.922 -0.542 0.521 1.00 0.00 H new ATOM 184 N THR A 168 -5.998 -4.144 0.612 1.00 0.00 N ATOM 185 CA THR A 168 -6.718 -5.403 0.480 1.00 0.00 C ATOM 186 C THR A 168 -6.372 -6.151 -0.811 1.00 0.00 C ATOM 187 O THR A 168 -6.218 -7.370 -0.786 1.00 0.00 O ATOM 188 CB THR A 168 -8.225 -5.145 0.573 1.00 0.00 C ATOM 189 OG1 THR A 168 -8.663 -5.228 1.917 1.00 0.00 O ATOM 190 CG2 THR A 168 -9.061 -6.107 -0.237 1.00 0.00 C ATOM 0 H THR A 168 -6.603 -3.333 0.742 1.00 0.00 H new ATOM 0 HA THR A 168 -6.405 -6.049 1.300 1.00 0.00 H new ATOM 0 HB THR A 168 -8.365 -4.144 0.165 1.00 0.00 H new ATOM 0 HG1 THR A 168 -9.627 -5.059 1.958 1.00 0.00 H new ATOM 0 HG21 THR A 168 -10.116 -5.860 -0.120 1.00 0.00 H new ATOM 0 HG22 THR A 168 -8.785 -6.032 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 168 -8.886 -7.125 0.112 1.00 0.00 H new ATOM 198 N GLU A 169 -6.233 -5.451 -1.932 1.00 0.00 N ATOM 199 CA GLU A 169 -5.882 -6.137 -3.170 1.00 0.00 C ATOM 200 C GLU A 169 -4.470 -6.687 -3.033 1.00 0.00 C ATOM 201 O GLU A 169 -4.242 -7.902 -2.909 1.00 0.00 O ATOM 202 CB GLU A 169 -5.970 -5.182 -4.360 1.00 0.00 C ATOM 203 CG GLU A 169 -6.867 -5.685 -5.479 1.00 0.00 C ATOM 204 CD GLU A 169 -6.285 -6.891 -6.192 1.00 0.00 C ATOM 205 OE1 GLU A 169 -5.315 -7.479 -5.670 1.00 0.00 O ATOM 206 OE2 GLU A 169 -6.802 -7.248 -7.271 1.00 0.00 O ATOM 0 H GLU A 169 -6.353 -4.441 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 169 -6.582 -6.953 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 169 -6.341 -4.217 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 169 -4.968 -5.015 -4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 169 -7.843 -5.945 -5.069 1.00 0.00 H new ATOM 0 HG3 GLU A 169 -7.028 -4.883 -6.200 1.00 0.00 H new ATOM 213 N ILE A 170 -3.526 -5.769 -3.004 1.00 0.00 N ATOM 214 CA ILE A 170 -2.134 -6.108 -2.831 1.00 0.00 C ATOM 215 C ILE A 170 -1.967 -6.992 -1.607 1.00 0.00 C ATOM 216 O ILE A 170 -1.006 -7.748 -1.488 1.00 0.00 O ATOM 217 CB ILE A 170 -1.297 -4.828 -2.698 1.00 0.00 C ATOM 218 CG1 ILE A 170 -1.564 -3.957 -3.921 1.00 0.00 C ATOM 219 CG2 ILE A 170 0.169 -5.173 -2.593 1.00 0.00 C ATOM 220 CD1 ILE A 170 -1.575 -2.472 -3.648 1.00 0.00 C ATOM 0 H ILE A 170 -3.705 -4.769 -3.100 1.00 0.00 H new ATOM 0 HA ILE A 170 -1.784 -6.658 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 170 -1.574 -4.286 -1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 170 -0.804 -4.169 -4.674 1.00 0.00 H new ATOM 0 HG13 ILE A 170 -2.525 -4.241 -4.350 1.00 0.00 H new ATOM 0 HG21 ILE A 170 0.753 -4.257 -2.499 1.00 0.00 H new ATOM 0 HG22 ILE A 170 0.333 -5.799 -1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 170 0.481 -5.712 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 170 -1.772 -1.933 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 170 -2.354 -2.241 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 170 -0.607 -2.168 -3.251 1.00 0.00 H new ATOM 232 N MET A 171 -2.945 -6.910 -0.719 1.00 0.00 N ATOM 233 CA MET A 171 -2.955 -7.719 0.492 1.00 0.00 C ATOM 234 C MET A 171 -3.013 -9.180 0.111 1.00 0.00 C ATOM 235 O MET A 171 -2.049 -9.922 0.267 1.00 0.00 O ATOM 236 CB MET A 171 -4.172 -7.381 1.350 1.00 0.00 C ATOM 237 CG MET A 171 -3.841 -6.507 2.524 1.00 0.00 C ATOM 238 SD MET A 171 -5.027 -6.629 3.868 1.00 0.00 S ATOM 239 CE MET A 171 -5.186 -4.893 4.268 1.00 0.00 C ATOM 0 H MET A 171 -3.747 -6.288 -0.814 1.00 0.00 H new ATOM 0 HA MET A 171 -2.050 -7.511 1.062 1.00 0.00 H new ATOM 0 HB2 MET A 171 -4.917 -6.881 0.731 1.00 0.00 H new ATOM 0 HB3 MET A 171 -4.624 -8.306 1.709 1.00 0.00 H new ATOM 0 HG2 MET A 171 -2.852 -6.774 2.898 1.00 0.00 H new ATOM 0 HG3 MET A 171 -3.787 -5.471 2.191 1.00 0.00 H new ATOM 0 HE1 MET A 171 -4.903 -4.732 5.308 1.00 0.00 H new ATOM 0 HE2 MET A 171 -4.533 -4.309 3.620 1.00 0.00 H new ATOM 0 HE3 MET A 171 -6.219 -4.579 4.120 1.00 0.00 H new ATOM 249 N SER A 172 -4.156 -9.578 -0.427 1.00 0.00 N ATOM 250 CA SER A 172 -4.342 -10.951 -0.881 1.00 0.00 C ATOM 251 C SER A 172 -3.043 -11.441 -1.504 1.00 0.00 C ATOM 252 O SER A 172 -2.713 -12.626 -1.443 1.00 0.00 O ATOM 253 CB SER A 172 -5.483 -11.033 -1.896 1.00 0.00 C ATOM 254 OG SER A 172 -6.481 -11.946 -1.473 1.00 0.00 O ATOM 0 H SER A 172 -4.967 -8.974 -0.560 1.00 0.00 H new ATOM 0 HA SER A 172 -4.604 -11.582 -0.032 1.00 0.00 H new ATOM 0 HB2 SER A 172 -5.924 -10.045 -2.032 1.00 0.00 H new ATOM 0 HB3 SER A 172 -5.090 -11.343 -2.864 1.00 0.00 H new ATOM 0 HG SER A 172 -7.199 -11.978 -2.139 1.00 0.00 H new ATOM 260 N MET A 173 -2.297 -10.498 -2.082 1.00 0.00 N ATOM 261 CA MET A 173 -1.019 -10.779 -2.698 1.00 0.00 C ATOM 262 C MET A 173 0.097 -10.911 -1.656 1.00 0.00 C ATOM 263 O MET A 173 1.234 -10.511 -1.907 1.00 0.00 O ATOM 264 CB MET A 173 -0.694 -9.640 -3.653 1.00 0.00 C ATOM 265 CG MET A 173 -1.123 -9.914 -5.073 1.00 0.00 C ATOM 266 SD MET A 173 -0.053 -9.124 -6.285 1.00 0.00 S ATOM 267 CE MET A 173 -0.032 -7.448 -5.658 1.00 0.00 C ATOM 0 H MET A 173 -2.572 -9.517 -2.131 1.00 0.00 H new ATOM 0 HA MET A 173 -1.083 -11.729 -3.228 1.00 0.00 H new ATOM 0 HB2 MET A 173 -1.181 -8.730 -3.302 1.00 0.00 H new ATOM 0 HB3 MET A 173 0.380 -9.454 -3.634 1.00 0.00 H new ATOM 0 HG2 MET A 173 -1.128 -10.990 -5.246 1.00 0.00 H new ATOM 0 HG3 MET A 173 -2.146 -9.564 -5.214 1.00 0.00 H new ATOM 0 HE1 MET A 173 0.633 -6.839 -6.270 1.00 0.00 H new ATOM 0 HE2 MET A 173 -1.039 -7.033 -5.694 1.00 0.00 H new ATOM 0 HE3 MET A 173 0.323 -7.450 -4.627 1.00 0.00 H new ATOM 277 N GLY A 174 -0.225 -11.470 -0.490 1.00 0.00 N ATOM 278 CA GLY A 174 0.769 -11.633 0.554 1.00 0.00 C ATOM 279 C GLY A 174 1.446 -10.328 0.927 1.00 0.00 C ATOM 280 O GLY A 174 2.673 -10.260 1.004 1.00 0.00 O ATOM 0 H GLY A 174 -1.156 -11.812 -0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 174 0.294 -12.057 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 174 1.523 -12.347 0.224 1.00 0.00 H new ATOM 284 N TYR A 175 0.650 -9.286 1.151 1.00 0.00 N ATOM 285 CA TYR A 175 1.188 -7.981 1.508 1.00 0.00 C ATOM 286 C TYR A 175 0.290 -7.252 2.508 1.00 0.00 C ATOM 287 O TYR A 175 -0.601 -6.496 2.123 1.00 0.00 O ATOM 288 CB TYR A 175 1.362 -7.131 0.254 1.00 0.00 C ATOM 289 CG TYR A 175 2.230 -7.791 -0.802 1.00 0.00 C ATOM 290 CD1 TYR A 175 3.473 -8.313 -0.473 1.00 0.00 C ATOM 291 CD2 TYR A 175 1.805 -7.902 -2.122 1.00 0.00 C ATOM 292 CE1 TYR A 175 4.270 -8.922 -1.423 1.00 0.00 C ATOM 293 CE2 TYR A 175 2.597 -8.512 -3.078 1.00 0.00 C ATOM 294 CZ TYR A 175 3.828 -9.019 -2.723 1.00 0.00 C ATOM 295 OH TYR A 175 4.619 -9.626 -3.671 1.00 0.00 O ATOM 0 H TYR A 175 -0.368 -9.322 1.091 1.00 0.00 H new ATOM 0 HA TYR A 175 2.156 -8.139 1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 175 0.381 -6.919 -0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 175 1.803 -6.173 0.531 1.00 0.00 H new ATOM 0 HD1 TYR A 175 3.824 -8.242 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 175 0.841 -7.505 -2.405 1.00 0.00 H new ATOM 0 HE1 TYR A 175 5.235 -9.320 -1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 175 2.252 -8.591 -4.098 1.00 0.00 H new ATOM 0 HH TYR A 175 4.160 -9.613 -4.537 1.00 0.00 H new ATOM 305 N GLU A 176 0.539 -7.478 3.794 1.00 0.00 N ATOM 306 CA GLU A 176 -0.241 -6.839 4.852 1.00 0.00 C ATOM 307 C GLU A 176 -0.562 -5.389 4.506 1.00 0.00 C ATOM 308 O GLU A 176 0.183 -4.727 3.787 1.00 0.00 O ATOM 309 CB GLU A 176 0.513 -6.904 6.180 1.00 0.00 C ATOM 310 CG GLU A 176 -0.312 -7.476 7.320 1.00 0.00 C ATOM 311 CD GLU A 176 -0.679 -6.432 8.356 1.00 0.00 C ATOM 312 OE1 GLU A 176 0.215 -5.659 8.761 1.00 0.00 O ATOM 313 OE2 GLU A 176 -1.860 -6.386 8.761 1.00 0.00 O ATOM 0 H GLU A 176 1.275 -8.099 4.130 1.00 0.00 H new ATOM 0 HA GLU A 176 -1.182 -7.382 4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 176 1.409 -7.511 6.050 1.00 0.00 H new ATOM 0 HB3 GLU A 176 0.844 -5.901 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -1.223 -7.919 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 176 0.247 -8.279 7.801 1.00 0.00 H new ATOM 320 N ARG A 177 -1.688 -4.912 5.025 1.00 0.00 N ATOM 321 CA ARG A 177 -2.141 -3.545 4.781 1.00 0.00 C ATOM 322 C ARG A 177 -1.045 -2.524 5.049 1.00 0.00 C ATOM 323 O ARG A 177 -1.011 -1.469 4.427 1.00 0.00 O ATOM 324 CB ARG A 177 -3.365 -3.240 5.663 1.00 0.00 C ATOM 325 CG ARG A 177 -3.163 -2.121 6.681 1.00 0.00 C ATOM 326 CD ARG A 177 -4.132 -2.240 7.846 1.00 0.00 C ATOM 327 NE ARG A 177 -5.352 -2.956 7.478 1.00 0.00 N ATOM 328 CZ ARG A 177 -5.502 -4.272 7.596 1.00 0.00 C ATOM 329 NH1 ARG A 177 -4.508 -5.020 8.058 1.00 0.00 N ATOM 330 NH2 ARG A 177 -6.647 -4.843 7.248 1.00 0.00 N ATOM 0 H ARG A 177 -2.310 -5.457 5.623 1.00 0.00 H new ATOM 0 HA ARG A 177 -2.411 -3.468 3.728 1.00 0.00 H new ATOM 0 HB2 ARG A 177 -4.203 -2.977 5.017 1.00 0.00 H new ATOM 0 HB3 ARG A 177 -3.646 -4.149 6.195 1.00 0.00 H new ATOM 0 HG2 ARG A 177 -2.139 -2.149 7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 177 -3.298 -1.156 6.193 1.00 0.00 H new ATOM 0 HD2 ARG A 177 -3.644 -2.758 8.671 1.00 0.00 H new ATOM 0 HD3 ARG A 177 -4.391 -1.244 8.204 1.00 0.00 H new ATOM 0 HE ARG A 177 -6.134 -2.415 7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 177 -3.624 -4.586 8.324 1.00 0.00 H new ATOM 0 HH12 ARG A 177 -4.628 -6.029 8.147 1.00 0.00 H new ATOM 0 HH21 ARG A 177 -7.413 -4.273 6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 177 -6.762 -5.852 7.339 1.00 0.00 H new ATOM 344 N GLU A 178 -0.196 -2.808 6.021 1.00 0.00 N ATOM 345 CA GLU A 178 0.847 -1.866 6.407 1.00 0.00 C ATOM 346 C GLU A 178 2.018 -1.798 5.428 1.00 0.00 C ATOM 347 O GLU A 178 2.580 -0.725 5.218 1.00 0.00 O ATOM 348 CB GLU A 178 1.361 -2.188 7.809 1.00 0.00 C ATOM 349 CG GLU A 178 2.403 -3.294 7.835 1.00 0.00 C ATOM 350 CD GLU A 178 2.297 -4.165 9.070 1.00 0.00 C ATOM 351 OE1 GLU A 178 1.884 -3.647 10.129 1.00 0.00 O ATOM 352 OE2 GLU A 178 2.625 -5.368 8.981 1.00 0.00 O ATOM 0 H GLU A 178 -0.205 -3.676 6.556 1.00 0.00 H new ATOM 0 HA GLU A 178 0.378 -0.882 6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 178 1.789 -1.286 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 178 0.519 -2.478 8.438 1.00 0.00 H new ATOM 0 HG2 GLU A 178 2.291 -3.915 6.946 1.00 0.00 H new ATOM 0 HG3 GLU A 178 3.398 -2.852 7.791 1.00 0.00 H new ATOM 359 N ARG A 179 2.401 -2.920 4.848 1.00 0.00 N ATOM 360 CA ARG A 179 3.513 -2.939 3.922 1.00 0.00 C ATOM 361 C ARG A 179 3.163 -2.237 2.628 1.00 0.00 C ATOM 362 O ARG A 179 3.990 -1.563 2.013 1.00 0.00 O ATOM 363 CB ARG A 179 3.898 -4.378 3.629 1.00 0.00 C ATOM 364 CG ARG A 179 4.464 -5.120 4.830 1.00 0.00 C ATOM 365 CD ARG A 179 4.991 -6.491 4.441 1.00 0.00 C ATOM 366 NE ARG A 179 5.725 -7.125 5.533 1.00 0.00 N ATOM 367 CZ ARG A 179 5.146 -7.857 6.478 1.00 0.00 C ATOM 368 NH1 ARG A 179 3.836 -8.049 6.463 1.00 0.00 N ATOM 369 NH2 ARG A 179 5.881 -8.400 7.440 1.00 0.00 N ATOM 0 H ARG A 179 1.959 -3.826 5.002 1.00 0.00 H new ATOM 0 HA ARG A 179 4.350 -2.411 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 179 3.020 -4.912 3.265 1.00 0.00 H new ATOM 0 HB3 ARG A 179 4.635 -4.391 2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 179 5.267 -4.533 5.276 1.00 0.00 H new ATOM 0 HG3 ARG A 179 3.690 -5.229 5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 179 4.158 -7.129 4.145 1.00 0.00 H new ATOM 0 HD3 ARG A 179 5.643 -6.396 3.573 1.00 0.00 H new ATOM 0 HE ARG A 179 6.736 -6.999 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 179 3.268 -7.634 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 179 3.395 -8.612 7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 179 6.891 -8.255 7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 179 5.436 -8.962 8.166 1.00 0.00 H new ATOM 383 N VAL A 180 1.928 -2.418 2.228 1.00 0.00 N ATOM 384 CA VAL A 180 1.416 -1.842 0.995 1.00 0.00 C ATOM 385 C VAL A 180 0.994 -0.404 1.186 1.00 0.00 C ATOM 386 O VAL A 180 1.239 0.416 0.313 1.00 0.00 O ATOM 387 CB VAL A 180 0.285 -2.717 0.415 1.00 0.00 C ATOM 388 CG1 VAL A 180 -0.339 -3.559 1.507 1.00 0.00 C ATOM 389 CG2 VAL A 180 -0.745 -1.892 -0.333 1.00 0.00 C ATOM 0 H VAL A 180 1.243 -2.969 2.745 1.00 0.00 H new ATOM 0 HA VAL A 180 2.223 -1.828 0.263 1.00 0.00 H new ATOM 0 HB VAL A 180 0.721 -3.392 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -1.135 -4.171 1.084 1.00 0.00 H new ATOM 0 HG12 VAL A 180 0.421 -4.205 1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -0.752 -2.908 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -1.522 -2.548 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -1.191 -1.165 0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -0.262 -1.369 -1.159 1.00 0.00 H new ATOM 399 N VAL A 181 0.404 -0.087 2.325 1.00 0.00 N ATOM 400 CA VAL A 181 0.006 1.282 2.598 1.00 0.00 C ATOM 401 C VAL A 181 1.238 2.140 2.763 1.00 0.00 C ATOM 402 O VAL A 181 1.303 3.257 2.265 1.00 0.00 O ATOM 403 CB VAL A 181 -0.896 1.389 3.838 1.00 0.00 C ATOM 404 CG1 VAL A 181 -0.093 1.604 5.107 1.00 0.00 C ATOM 405 CG2 VAL A 181 -1.892 2.501 3.678 1.00 0.00 C ATOM 0 H VAL A 181 0.192 -0.752 3.069 1.00 0.00 H new ATOM 0 HA VAL A 181 -0.580 1.638 1.750 1.00 0.00 H new ATOM 0 HB VAL A 181 -1.425 0.440 3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 181 -0.770 1.674 5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 181 0.588 0.766 5.253 1.00 0.00 H new ATOM 0 HG13 VAL A 181 0.481 2.527 5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 181 -2.520 2.558 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 181 -1.365 3.446 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 181 -2.516 2.308 2.805 1.00 0.00 H new ATOM 415 N ALA A 182 2.234 1.575 3.418 1.00 0.00 N ATOM 416 CA ALA A 182 3.503 2.257 3.584 1.00 0.00 C ATOM 417 C ALA A 182 4.145 2.304 2.222 1.00 0.00 C ATOM 418 O ALA A 182 4.873 3.238 1.888 1.00 0.00 O ATOM 419 CB ALA A 182 4.399 1.531 4.601 1.00 0.00 C ATOM 0 H ALA A 182 2.190 0.649 3.843 1.00 0.00 H new ATOM 0 HA ALA A 182 3.355 3.262 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 182 5.343 2.067 4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 182 3.897 1.494 5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 182 4.594 0.516 4.255 1.00 0.00 H new ATOM 425 N ALA A 183 3.804 1.310 1.409 1.00 0.00 N ATOM 426 CA ALA A 183 4.284 1.269 0.055 1.00 0.00 C ATOM 427 C ALA A 183 3.554 2.341 -0.725 1.00 0.00 C ATOM 428 O ALA A 183 4.081 2.874 -1.692 1.00 0.00 O ATOM 429 CB ALA A 183 4.064 -0.096 -0.566 1.00 0.00 C ATOM 0 H ALA A 183 3.200 0.532 1.673 1.00 0.00 H new ATOM 0 HA ALA A 183 5.358 1.452 0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 183 4.438 -0.094 -1.590 1.00 0.00 H new ATOM 0 HB2 ALA A 183 4.597 -0.850 0.014 1.00 0.00 H new ATOM 0 HB3 ALA A 183 2.999 -0.327 -0.569 1.00 0.00 H new ATOM 435 N LEU A 184 2.347 2.687 -0.248 1.00 0.00 N ATOM 436 CA LEU A 184 1.550 3.739 -0.861 1.00 0.00 C ATOM 437 C LEU A 184 2.191 5.068 -0.509 1.00 0.00 C ATOM 438 O LEU A 184 2.272 5.970 -1.324 1.00 0.00 O ATOM 439 CB LEU A 184 0.093 3.725 -0.370 1.00 0.00 C ATOM 440 CG LEU A 184 -0.717 2.451 -0.658 1.00 0.00 C ATOM 441 CD1 LEU A 184 -1.994 2.423 0.162 1.00 0.00 C ATOM 442 CD2 LEU A 184 -1.062 2.367 -2.129 1.00 0.00 C ATOM 0 H LEU A 184 1.909 2.247 0.562 1.00 0.00 H new ATOM 0 HA LEU A 184 1.525 3.579 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 184 0.095 3.892 0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -0.427 4.569 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 184 -0.102 1.595 -0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -2.549 1.512 -0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -1.746 2.447 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -2.606 3.290 -0.087 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -1.636 1.459 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -1.655 3.236 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -0.145 2.345 -2.717 1.00 0.00 H new ATOM 454 N ARG A 185 2.700 5.162 0.709 1.00 0.00 N ATOM 455 CA ARG A 185 3.389 6.362 1.127 1.00 0.00 C ATOM 456 C ARG A 185 4.616 6.494 0.252 1.00 0.00 C ATOM 457 O ARG A 185 5.094 7.594 -0.030 1.00 0.00 O ATOM 458 CB ARG A 185 3.785 6.280 2.601 1.00 0.00 C ATOM 459 CG ARG A 185 2.633 5.914 3.521 1.00 0.00 C ATOM 460 CD ARG A 185 3.038 6.008 4.983 1.00 0.00 C ATOM 461 NE ARG A 185 1.970 6.561 5.811 1.00 0.00 N ATOM 462 CZ ARG A 185 1.457 7.775 5.635 1.00 0.00 C ATOM 463 NH1 ARG A 185 1.914 8.555 4.667 1.00 0.00 N ATOM 464 NH2 ARG A 185 0.487 8.209 6.428 1.00 0.00 N ATOM 0 H ARG A 185 2.648 4.428 1.415 1.00 0.00 H new ATOM 0 HA ARG A 185 2.741 7.232 1.021 1.00 0.00 H new ATOM 0 HB2 ARG A 185 4.579 5.541 2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 185 4.196 7.240 2.912 1.00 0.00 H new ATOM 0 HG2 ARG A 185 1.790 6.578 3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 185 2.297 4.901 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 185 3.305 5.017 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 185 3.927 6.632 5.074 1.00 0.00 H new ATOM 0 HE ARG A 185 1.597 5.985 6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 185 2.660 8.225 4.055 1.00 0.00 H new ATOM 0 HH12 ARG A 185 1.519 9.486 4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 185 0.133 7.611 7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 185 0.095 9.141 6.291 1.00 0.00 H new ATOM 478 N ALA A 186 5.108 5.336 -0.191 1.00 0.00 N ATOM 479 CA ALA A 186 6.275 5.279 -1.060 1.00 0.00 C ATOM 480 C ALA A 186 5.875 5.126 -2.534 1.00 0.00 C ATOM 481 O ALA A 186 6.729 5.176 -3.420 1.00 0.00 O ATOM 482 CB ALA A 186 7.179 4.137 -0.634 1.00 0.00 C ATOM 0 H ALA A 186 4.712 4.425 0.041 1.00 0.00 H new ATOM 0 HA ALA A 186 6.815 6.221 -0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 186 8.050 4.099 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 186 7.504 4.294 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 186 6.633 3.196 -0.702 1.00 0.00 H new ATOM 488 N SER A 187 4.577 4.944 -2.793 1.00 0.00 N ATOM 489 CA SER A 187 4.079 4.789 -4.163 1.00 0.00 C ATOM 490 C SER A 187 3.334 6.038 -4.613 1.00 0.00 C ATOM 491 O SER A 187 2.959 6.156 -5.775 1.00 0.00 O ATOM 492 CB SER A 187 3.129 3.589 -4.278 1.00 0.00 C ATOM 493 OG SER A 187 1.874 3.976 -4.812 1.00 0.00 O ATOM 0 H SER A 187 3.854 4.900 -2.075 1.00 0.00 H new ATOM 0 HA SER A 187 4.948 4.626 -4.801 1.00 0.00 H new ATOM 0 HB2 SER A 187 3.578 2.826 -4.914 1.00 0.00 H new ATOM 0 HB3 SER A 187 2.986 3.140 -3.295 1.00 0.00 H new ATOM 0 HG SER A 187 1.155 3.586 -4.273 1.00 0.00 H new ATOM 499 N TYR A 188 3.097 6.949 -3.680 1.00 0.00 N ATOM 500 CA TYR A 188 2.364 8.172 -3.973 1.00 0.00 C ATOM 501 C TYR A 188 0.859 7.936 -3.840 1.00 0.00 C ATOM 502 O TYR A 188 0.060 8.764 -4.275 1.00 0.00 O ATOM 503 CB TYR A 188 2.692 8.680 -5.377 1.00 0.00 C ATOM 504 CG TYR A 188 4.177 8.695 -5.686 1.00 0.00 C ATOM 505 CD1 TYR A 188 5.067 9.408 -4.890 1.00 0.00 C ATOM 506 CD2 TYR A 188 4.690 7.996 -6.774 1.00 0.00 C ATOM 507 CE1 TYR A 188 6.421 9.424 -5.170 1.00 0.00 C ATOM 508 CE2 TYR A 188 6.042 8.008 -7.058 1.00 0.00 C ATOM 509 CZ TYR A 188 6.903 8.723 -6.254 1.00 0.00 C ATOM 510 OH TYR A 188 8.250 8.737 -6.533 1.00 0.00 O ATOM 0 H TYR A 188 3.403 6.864 -2.711 1.00 0.00 H new ATOM 0 HA TYR A 188 2.669 8.930 -3.252 1.00 0.00 H new ATOM 0 HB2 TYR A 188 2.183 8.053 -6.109 1.00 0.00 H new ATOM 0 HB3 TYR A 188 2.295 9.689 -5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 188 4.694 9.958 -4.039 1.00 0.00 H new ATOM 0 HD2 TYR A 188 4.020 7.434 -7.408 1.00 0.00 H new ATOM 0 HE1 TYR A 188 7.098 9.984 -4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 188 6.423 7.459 -7.907 1.00 0.00 H new ATOM 0 HH TYR A 188 8.425 8.192 -7.329 1.00 0.00 H new ATOM 520 N ASN A 189 0.487 6.794 -3.232 1.00 0.00 N ATOM 521 CA ASN A 189 -0.911 6.420 -3.021 1.00 0.00 C ATOM 522 C ASN A 189 -1.356 5.372 -4.022 1.00 0.00 C ATOM 523 O ASN A 189 -2.458 4.834 -3.916 1.00 0.00 O ATOM 524 CB ASN A 189 -1.827 7.627 -3.118 1.00 0.00 C ATOM 525 CG ASN A 189 -3.133 7.431 -2.375 1.00 0.00 C ATOM 526 OD1 ASN A 189 -3.875 6.484 -2.637 1.00 0.00 O ATOM 527 ND2 ASN A 189 -3.421 8.330 -1.441 1.00 0.00 N ATOM 0 H ASN A 189 1.153 6.109 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 189 -0.979 6.004 -2.016 1.00 0.00 H new ATOM 0 HB2 ASN A 189 -1.313 8.501 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 189 -2.038 7.834 -4.167 1.00 0.00 H new ATOM 0 HD21 ASN A 189 -4.287 8.252 -0.907 1.00 0.00 H new ATOM 0 HD22 ASN A 189 -2.776 9.099 -1.257 1.00 0.00 H new ATOM 534 N ASN A 190 -0.500 5.070 -4.986 1.00 0.00 N ATOM 535 CA ASN A 190 -0.842 4.066 -5.978 1.00 0.00 C ATOM 536 C ASN A 190 -0.775 2.689 -5.350 1.00 0.00 C ATOM 537 O ASN A 190 0.018 2.452 -4.442 1.00 0.00 O ATOM 538 CB ASN A 190 0.086 4.104 -7.191 1.00 0.00 C ATOM 539 CG ASN A 190 0.898 5.376 -7.311 1.00 0.00 C ATOM 540 OD1 ASN A 190 2.056 5.345 -7.725 1.00 0.00 O ATOM 541 ND2 ASN A 190 0.293 6.500 -6.971 1.00 0.00 N ATOM 0 H ASN A 190 0.419 5.497 -5.101 1.00 0.00 H new ATOM 0 HA ASN A 190 -1.852 4.285 -6.324 1.00 0.00 H new ATOM 0 HB2 ASN A 190 0.767 3.255 -7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 190 -0.511 3.980 -8.095 1.00 0.00 H new ATOM 0 HD21 ASN A 190 0.788 7.389 -7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 190 -0.669 6.479 -6.632 1.00 0.00 H new ATOM 548 N PRO A 191 -1.604 1.761 -5.829 1.00 0.00 N ATOM 549 CA PRO A 191 -1.656 0.402 -5.329 1.00 0.00 C ATOM 550 C PRO A 191 -0.717 -0.505 -6.099 1.00 0.00 C ATOM 551 O PRO A 191 0.206 -1.090 -5.538 1.00 0.00 O ATOM 552 CB PRO A 191 -3.098 -0.013 -5.596 1.00 0.00 C ATOM 553 CG PRO A 191 -3.699 1.081 -6.435 1.00 0.00 C ATOM 554 CD PRO A 191 -2.567 1.944 -6.905 1.00 0.00 C ATOM 0 HA PRO A 191 -1.360 0.334 -4.282 1.00 0.00 H new ATOM 0 HB2 PRO A 191 -3.138 -0.970 -6.117 1.00 0.00 H new ATOM 0 HB3 PRO A 191 -3.648 -0.135 -4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 191 -4.243 0.663 -7.282 1.00 0.00 H new ATOM 0 HG3 PRO A 191 -4.413 1.664 -5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 191 -2.174 1.618 -7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 191 -2.864 2.987 -7.018 1.00 0.00 H new ATOM 562 N HIS A 192 -0.968 -0.609 -7.396 1.00 0.00 N ATOM 563 CA HIS A 192 -0.151 -1.426 -8.267 1.00 0.00 C ATOM 564 C HIS A 192 1.317 -1.104 -8.039 1.00 0.00 C ATOM 565 O HIS A 192 2.136 -2.001 -7.861 1.00 0.00 O ATOM 566 CB HIS A 192 -0.535 -1.175 -9.723 1.00 0.00 C ATOM 567 CG HIS A 192 -0.140 -2.285 -10.647 1.00 0.00 C ATOM 568 ND1 HIS A 192 -1.054 -3.007 -11.388 1.00 0.00 N ATOM 569 CD2 HIS A 192 1.077 -2.798 -10.951 1.00 0.00 C ATOM 570 CE1 HIS A 192 -0.416 -3.915 -12.105 1.00 0.00 C ATOM 571 NE2 HIS A 192 0.877 -3.809 -11.858 1.00 0.00 N ATOM 0 H HIS A 192 -1.737 -0.132 -7.866 1.00 0.00 H new ATOM 0 HA HIS A 192 -0.318 -2.479 -8.041 1.00 0.00 H new ATOM 0 HB2 HIS A 192 -1.613 -1.028 -9.785 1.00 0.00 H new ATOM 0 HB3 HIS A 192 -0.067 -0.250 -10.059 1.00 0.00 H new ATOM 0 HD2 HIS A 192 2.027 -2.472 -10.554 1.00 0.00 H new ATOM 0 HE1 HIS A 192 -0.874 -4.624 -12.779 1.00 0.00 H new ATOM 0 HE2 HIS A 192 1.609 -4.385 -12.274 1.00 0.00 H new ATOM 579 N ARG A 193 1.638 0.190 -8.010 1.00 0.00 N ATOM 580 CA ARG A 193 3.004 0.629 -7.755 1.00 0.00 C ATOM 581 C ARG A 193 3.347 0.282 -6.319 1.00 0.00 C ATOM 582 O ARG A 193 4.492 -0.015 -5.987 1.00 0.00 O ATOM 583 CB ARG A 193 3.136 2.140 -8.000 1.00 0.00 C ATOM 584 CG ARG A 193 4.217 2.834 -7.183 1.00 0.00 C ATOM 585 CD ARG A 193 5.240 3.518 -8.073 1.00 0.00 C ATOM 586 NE ARG A 193 5.980 2.563 -8.894 1.00 0.00 N ATOM 587 CZ ARG A 193 6.838 2.922 -9.843 1.00 0.00 C ATOM 588 NH1 ARG A 193 7.061 4.204 -10.088 1.00 0.00 N ATOM 589 NH2 ARG A 193 7.474 1.995 -10.547 1.00 0.00 N ATOM 0 H ARG A 193 0.971 0.947 -8.160 1.00 0.00 H new ATOM 0 HA ARG A 193 3.695 0.128 -8.432 1.00 0.00 H new ATOM 0 HB2 ARG A 193 3.340 2.304 -9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 193 2.178 2.613 -7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 193 3.758 3.570 -6.523 1.00 0.00 H new ATOM 0 HG3 ARG A 193 4.718 2.104 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 193 4.735 4.236 -8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 193 5.939 4.082 -7.455 1.00 0.00 H new ATOM 0 HE ARG A 193 5.830 1.567 -8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 193 6.574 4.919 -9.548 1.00 0.00 H new ATOM 0 HH12 ARG A 193 7.720 4.477 -10.817 1.00 0.00 H new ATOM 0 HH21 ARG A 193 7.304 1.007 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 193 8.133 2.270 -11.276 1.00 0.00 H new ATOM 603 N ALA A 194 2.315 0.305 -5.480 1.00 0.00 N ATOM 604 CA ALA A 194 2.445 -0.023 -4.069 1.00 0.00 C ATOM 605 C ALA A 194 3.033 -1.411 -3.887 1.00 0.00 C ATOM 606 O ALA A 194 3.802 -1.656 -2.958 1.00 0.00 O ATOM 607 CB ALA A 194 1.079 0.035 -3.401 1.00 0.00 C ATOM 0 H ALA A 194 1.366 0.552 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 194 3.115 0.704 -3.610 1.00 0.00 H new ATOM 0 HB1 ALA A 194 1.180 -0.211 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 194 0.667 1.039 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 194 0.410 -0.681 -3.878 1.00 0.00 H new ATOM 613 N VAL A 195 2.646 -2.325 -4.769 1.00 0.00 N ATOM 614 CA VAL A 195 3.113 -3.693 -4.693 1.00 0.00 C ATOM 615 C VAL A 195 4.387 -3.887 -5.472 1.00 0.00 C ATOM 616 O VAL A 195 5.286 -4.603 -5.043 1.00 0.00 O ATOM 617 CB VAL A 195 2.033 -4.674 -5.156 1.00 0.00 C ATOM 618 CG1 VAL A 195 1.649 -4.454 -6.591 1.00 0.00 C ATOM 619 CG2 VAL A 195 2.465 -6.109 -4.909 1.00 0.00 C ATOM 0 H VAL A 195 2.009 -2.138 -5.544 1.00 0.00 H new ATOM 0 HA VAL A 195 3.332 -3.903 -3.646 1.00 0.00 H new ATOM 0 HB VAL A 195 1.141 -4.483 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 195 0.880 -5.172 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 195 1.263 -3.442 -6.713 1.00 0.00 H new ATOM 0 HG13 VAL A 195 2.524 -4.588 -7.227 1.00 0.00 H new ATOM 0 HG21 VAL A 195 1.682 -6.788 -5.246 1.00 0.00 H new ATOM 0 HG22 VAL A 195 3.383 -6.312 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 195 2.641 -6.258 -3.844 1.00 0.00 H new ATOM 629 N GLU A 196 4.504 -3.180 -6.569 1.00 0.00 N ATOM 630 CA GLU A 196 5.741 -3.220 -7.324 1.00 0.00 C ATOM 631 C GLU A 196 6.811 -2.690 -6.384 1.00 0.00 C ATOM 632 O GLU A 196 8.003 -2.979 -6.519 1.00 0.00 O ATOM 633 CB GLU A 196 5.649 -2.364 -8.589 1.00 0.00 C ATOM 634 CG GLU A 196 5.671 -3.175 -9.873 1.00 0.00 C ATOM 635 CD GLU A 196 6.173 -2.375 -11.058 1.00 0.00 C ATOM 636 OE1 GLU A 196 6.565 -1.206 -10.861 1.00 0.00 O ATOM 637 OE2 GLU A 196 6.173 -2.917 -12.182 1.00 0.00 O ATOM 0 H GLU A 196 3.776 -2.580 -6.957 1.00 0.00 H new ATOM 0 HA GLU A 196 5.967 -4.231 -7.662 1.00 0.00 H new ATOM 0 HB2 GLU A 196 4.731 -1.777 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 196 6.479 -1.657 -8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 196 6.306 -4.050 -9.735 1.00 0.00 H new ATOM 0 HG3 GLU A 196 4.666 -3.540 -10.085 1.00 0.00 H new ATOM 644 N TYR A 197 6.329 -1.944 -5.382 1.00 0.00 N ATOM 645 CA TYR A 197 7.155 -1.392 -4.342 1.00 0.00 C ATOM 646 C TYR A 197 7.410 -2.480 -3.319 1.00 0.00 C ATOM 647 O TYR A 197 8.542 -2.715 -2.901 1.00 0.00 O ATOM 648 CB TYR A 197 6.432 -0.216 -3.697 1.00 0.00 C ATOM 649 CG TYR A 197 7.367 0.786 -3.093 1.00 0.00 C ATOM 650 CD1 TYR A 197 7.946 0.565 -1.855 1.00 0.00 C ATOM 651 CD2 TYR A 197 7.671 1.947 -3.777 1.00 0.00 C ATOM 652 CE1 TYR A 197 8.820 1.497 -1.306 1.00 0.00 C ATOM 653 CE2 TYR A 197 8.544 2.885 -3.241 1.00 0.00 C ATOM 654 CZ TYR A 197 9.113 2.652 -2.006 1.00 0.00 C ATOM 655 OH TYR A 197 9.981 3.575 -1.468 1.00 0.00 O ATOM 0 H TYR A 197 5.340 -1.714 -5.285 1.00 0.00 H new ATOM 0 HA TYR A 197 8.103 -1.037 -4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 197 5.813 0.278 -4.446 1.00 0.00 H new ATOM 0 HB3 TYR A 197 5.760 -0.589 -2.924 1.00 0.00 H new ATOM 0 HD1 TYR A 197 7.717 -0.339 -1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 197 7.223 2.128 -4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 197 9.267 1.319 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 197 8.775 3.788 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 197 9.867 4.435 -1.923 1.00 0.00 H new ATOM 665 N LEU A 198 6.336 -3.181 -2.974 1.00 0.00 N ATOM 666 CA LEU A 198 6.413 -4.301 -2.056 1.00 0.00 C ATOM 667 C LEU A 198 7.570 -5.188 -2.496 1.00 0.00 C ATOM 668 O LEU A 198 8.222 -5.857 -1.694 1.00 0.00 O ATOM 669 CB LEU A 198 5.118 -5.105 -2.153 1.00 0.00 C ATOM 670 CG LEU A 198 4.073 -4.925 -1.045 1.00 0.00 C ATOM 671 CD1 LEU A 198 4.444 -3.825 -0.075 1.00 0.00 C ATOM 672 CD2 LEU A 198 2.725 -4.628 -1.659 1.00 0.00 C ATOM 0 H LEU A 198 5.397 -2.988 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 198 6.559 -3.952 -1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 198 4.643 -4.859 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 198 5.383 -6.161 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 198 4.033 -5.857 -0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 198 3.672 -3.738 0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 198 5.397 -4.063 0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 198 4.531 -2.880 -0.612 1.00 0.00 H new ATOM 0 HD21 LEU A 198 1.985 -4.501 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 198 2.787 -3.713 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 198 2.429 -5.455 -2.304 1.00 0.00 H new ATOM 684 N LEU A 199 7.784 -5.176 -3.808 1.00 0.00 N ATOM 685 CA LEU A 199 8.819 -5.954 -4.465 1.00 0.00 C ATOM 686 C LEU A 199 10.196 -5.329 -4.273 1.00 0.00 C ATOM 687 O LEU A 199 10.972 -5.756 -3.420 1.00 0.00 O ATOM 688 CB LEU A 199 8.486 -6.038 -5.958 1.00 0.00 C ATOM 689 CG LEU A 199 7.383 -7.030 -6.345 1.00 0.00 C ATOM 690 CD1 LEU A 199 7.869 -7.959 -7.442 1.00 0.00 C ATOM 691 CD2 LEU A 199 6.910 -7.830 -5.139 1.00 0.00 C ATOM 0 H LEU A 199 7.230 -4.613 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 199 8.849 -6.950 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.192 -5.046 -6.301 1.00 0.00 H new ATOM 0 HB3 LEU A 199 9.394 -6.306 -6.498 1.00 0.00 H new ATOM 0 HG LEU A 199 6.534 -6.459 -6.720 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.075 -8.657 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 199 8.144 -7.374 -8.319 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.738 -8.514 -7.090 1.00 0.00 H new ATOM 0 HD21 LEU A 199 6.128 -8.524 -5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 199 7.748 -8.389 -4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.515 -7.150 -4.384 1.00 0.00 H new ATOM 703 N THR A 200 10.491 -4.321 -5.090 1.00 0.00 N ATOM 704 CA THR A 200 11.778 -3.628 -5.033 1.00 0.00 C ATOM 705 C THR A 200 12.332 -3.595 -3.611 1.00 0.00 C ATOM 706 O THR A 200 13.545 -3.646 -3.407 1.00 0.00 O ATOM 707 CB THR A 200 11.639 -2.200 -5.570 1.00 0.00 C ATOM 708 OG1 THR A 200 12.286 -1.276 -4.715 1.00 0.00 O ATOM 709 CG2 THR A 200 10.201 -1.751 -5.725 1.00 0.00 C ATOM 0 H THR A 200 9.854 -3.964 -5.802 1.00 0.00 H new ATOM 0 HA THR A 200 12.479 -4.182 -5.658 1.00 0.00 H new ATOM 0 HB THR A 200 12.104 -2.220 -6.556 1.00 0.00 H new ATOM 0 HG1 THR A 200 12.187 -0.371 -5.077 1.00 0.00 H new ATOM 0 HG21 THR A 200 10.178 -0.731 -6.109 1.00 0.00 H new ATOM 0 HG22 THR A 200 9.686 -2.413 -6.421 1.00 0.00 H new ATOM 0 HG23 THR A 200 9.703 -1.785 -4.756 1.00 0.00 H new ATOM 717 N GLY A 201 11.437 -3.511 -2.634 1.00 0.00 N ATOM 718 CA GLY A 201 11.858 -3.474 -1.246 1.00 0.00 C ATOM 719 C GLY A 201 11.896 -2.065 -0.689 1.00 0.00 C ATOM 720 O GLY A 201 12.627 -1.211 -1.191 1.00 0.00 O ATOM 0 H GLY A 201 10.428 -3.468 -2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 201 11.178 -4.080 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 201 12.847 -3.923 -1.158 1.00 0.00 H new ATOM 724 N ILE A 202 11.108 -1.821 0.351 1.00 0.00 N ATOM 725 CA ILE A 202 11.054 -0.506 0.978 1.00 0.00 C ATOM 726 C ILE A 202 12.446 -0.035 1.387 1.00 0.00 C ATOM 727 O ILE A 202 13.020 -0.529 2.358 1.00 0.00 O ATOM 728 CB ILE A 202 10.142 -0.513 2.219 1.00 0.00 C ATOM 729 CG1 ILE A 202 8.716 -0.911 1.830 1.00 0.00 C ATOM 730 CG2 ILE A 202 10.152 0.853 2.892 1.00 0.00 C ATOM 731 CD1 ILE A 202 7.719 -0.763 2.957 1.00 0.00 C ATOM 0 H ILE A 202 10.497 -2.517 0.778 1.00 0.00 H new ATOM 0 HA ILE A 202 10.643 0.181 0.238 1.00 0.00 H new ATOM 0 HB ILE A 202 10.524 -1.248 2.927 1.00 0.00 H new ATOM 0 HG12 ILE A 202 8.394 -0.299 0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 202 8.716 -1.947 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 202 9.503 0.832 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 202 11.168 1.100 3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 202 9.792 1.606 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 202 6.730 -1.063 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 202 8.018 -1.396 3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 202 7.690 0.277 3.283 1.00 0.00 H new ATOM 743 N PRO A 203 13.004 0.933 0.647 1.00 0.00 N ATOM 744 CA PRO A 203 14.334 1.479 0.929 1.00 0.00 C ATOM 745 C PRO A 203 14.499 1.876 2.390 1.00 0.00 C ATOM 746 O PRO A 203 15.289 1.277 3.122 1.00 0.00 O ATOM 747 CB PRO A 203 14.406 2.712 0.028 1.00 0.00 C ATOM 748 CG PRO A 203 13.488 2.404 -1.104 1.00 0.00 C ATOM 749 CD PRO A 203 12.378 1.571 -0.523 1.00 0.00 C ATOM 0 HA PRO A 203 15.123 0.751 0.743 1.00 0.00 H new ATOM 0 HB2 PRO A 203 14.092 3.610 0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 203 15.423 2.888 -0.323 1.00 0.00 H new ATOM 0 HG2 PRO A 203 13.097 3.319 -1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 203 14.010 1.863 -1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 203 11.524 2.184 -0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 203 12.015 0.832 -1.237 1.00 0.00 H new ATOM 757 N GLY A 204 13.750 2.887 2.807 1.00 0.00 N ATOM 758 CA GLY A 204 13.824 3.351 4.179 1.00 0.00 C ATOM 759 C GLY A 204 13.230 2.359 5.159 1.00 0.00 C ATOM 760 O GLY A 204 13.701 1.202 5.192 1.00 0.00 O ATOM 761 OXT GLY A 204 12.293 2.739 5.892 1.00 0.00 O ATOM 0 H GLY A 204 13.090 3.396 2.218 1.00 0.00 H new ATOM 0 HA2 GLY A 204 14.866 3.536 4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 204 13.299 4.302 4.266 1.00 0.00 H new TER 765 GLY A 204