USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 821 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 HIS : no HE2:sc= 1.2 K(o=2.2,f=-3.3!) USER MOD Set 1.2: A 180 ASN : amide:sc= 0.975 K(o=2.2,f=1.2) USER MOD Set 2.1: A 133 MET CE :methyl 145:sc= -5.38! (180deg=-7.44!) USER MOD Set 2.2: A 212 MET CE :methyl -116:sc= -8.38! (180deg=-7.45!) USER MOD Set 3.1: A 131 SER OG : rot -164:sc= 1.23 USER MOD Set 3.2: A 216 GLN : amide:sc= -0.732 K(o=0.5,f=-1.9) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 MET CE :methyl 172:sc= -3.94! (180deg=-4.33!) USER MOD Single : A 134 SER OG : rot -49:sc= 0.28 USER MOD Single : A 139 HIS :FLIP no HD1:sc= -0.29 F(o=-4.3!,f=-0.29) USER MOD Single : A 142 ASN : amide:sc= -2.05 K(o=-2.1,f=-4.9!) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 148 TYR OH : rot -125:sc= 0.00888 USER MOD Single : A 149 TYR OH : rot -122:sc= -6.13! USER MOD Single : A 152 ASN : amide:sc= -10.7! C(o=-11!,f=-12!) USER MOD Single : A 153 MET CE :methyl 159:sc= -10.5! (180deg=-12.6!) USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 156 TYR OH : rot 137:sc= -1.82! USER MOD Single : A 158 ASN : amide:sc= -0.475 K(o=-0.47,f=-1.4) USER MOD Single : A 159 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.9) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot -177:sc= -0.209 USER MOD Single : A 167 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 168 TYR OH : rot 30:sc= 0.00707 USER MOD Single : A 169 SER OG : rot 180:sc= 0 USER MOD Single : A 170 ASN : amide:sc= 0.511 K(o=0.51,f=-0.54) USER MOD Single : A 171 GLN :FLIP amide:sc= -0.706 F(o=-5.5!,f=-0.71) USER MOD Single : A 172 ASN : amide:sc= 0.113 K(o=0.11,f=-5.9!) USER MOD Single : A 173 SER OG : rot 180:sc= 0 USER MOD Single : A 182 THR OG1 : rot 75:sc= -1.85! USER MOD Single : A 184 LYS NZ :NH3+ 163:sc= -0.0319 (180deg=-0.291) USER MOD Single : A 185 GLN :FLIP amide:sc= -1.7 F(o=-2.4!,f=-1.7) USER MOD Single : A 186 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-11!) USER MOD Single : A 187 THR OG1 : rot -160:sc= 1.09 USER MOD Single : A 189 THR OG1 : rot 22:sc= 1.19 USER MOD Single : A 190 THR OG1 : rot 115:sc= 1.23 USER MOD Single : A 191 THR OG1 : rot 160:sc= -0.987 USER MOD Single : A 192 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 193 LYS NZ :NH3+ -149:sc= 1.28 (180deg=-0.271) USER MOD Single : A 196 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 THR OG1 : rot 180:sc= -0.0915 USER MOD Single : A 200 THR OG1 : rot 180:sc= 0 USER MOD Single : A 203 LYS NZ :NH3+ 158:sc= 1.2 (180deg=1.09) USER MOD Single : A 205 MET CE :methyl -112:sc= -5.89! (180deg=-13!) USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 215 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 217 TYR OH : rot -138:sc= -1.18 USER MOD Single : A 218 GLN : amide:sc= -0.107 K(o=-0.11,f=-1.2!) USER MOD Single : A 219 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 221 SER OG : rot 7:sc= 1.25 USER MOD Single : A 222 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 225 TYR OH : rot 180:sc= 0 USER MOD Single : A 226 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 124 -13.245 7.284 -2.284 1.00 1.95 N ATOM 2 CA LEU A 124 -12.400 7.288 -3.476 1.00 1.36 C ATOM 3 C LEU A 124 -12.983 8.177 -4.559 1.00 1.43 C ATOM 4 O LEU A 124 -12.543 8.133 -5.710 1.00 2.13 O ATOM 5 CB LEU A 124 -12.225 5.875 -4.045 1.00 1.23 C ATOM 6 CG LEU A 124 -11.528 4.859 -3.140 1.00 1.15 C ATOM 7 CD1 LEU A 124 -12.445 4.413 -2.014 1.00 1.32 C ATOM 8 CD2 LEU A 124 -11.069 3.666 -3.959 1.00 1.75 C ATOM 0 HA LEU A 124 -11.429 7.676 -3.168 1.00 1.36 H new ATOM 0 HB2 LEU A 124 -13.210 5.485 -4.301 1.00 1.23 H new ATOM 0 HB3 LEU A 124 -11.660 5.949 -4.974 1.00 1.23 H new ATOM 0 HG LEU A 124 -10.657 5.336 -2.691 1.00 1.15 H new ATOM 0 HD11 LEU A 124 -11.924 3.691 -1.385 1.00 1.32 H new ATOM 0 HD12 LEU A 124 -12.731 5.277 -1.414 1.00 1.32 H new ATOM 0 HD13 LEU A 124 -13.339 3.951 -2.434 1.00 1.32 H new ATOM 0 HD21 LEU A 124 -10.573 2.946 -3.307 1.00 1.75 H new ATOM 0 HD22 LEU A 124 -11.931 3.195 -4.430 1.00 1.75 H new ATOM 0 HD23 LEU A 124 -10.372 3.999 -4.728 1.00 1.75 H new ATOM 20 N GLY A 125 -13.959 8.990 -4.196 1.00 1.19 N ATOM 21 CA GLY A 125 -14.580 9.866 -5.162 1.00 1.32 C ATOM 22 C GLY A 125 -13.727 11.090 -5.446 1.00 1.24 C ATOM 23 O GLY A 125 -14.175 12.224 -5.269 1.00 1.68 O ATOM 0 H GLY A 125 -14.333 9.059 -3.249 1.00 1.19 H new ATOM 0 HA2 GLY A 125 -14.752 9.320 -6.090 1.00 1.32 H new ATOM 0 HA3 GLY A 125 -15.556 10.181 -4.792 1.00 1.32 H new ATOM 27 N GLY A 126 -12.493 10.857 -5.874 1.00 1.13 N ATOM 28 CA GLY A 126 -11.571 11.943 -6.129 1.00 1.14 C ATOM 29 C GLY A 126 -10.147 11.583 -5.763 1.00 1.08 C ATOM 30 O GLY A 126 -9.213 12.297 -6.135 1.00 1.83 O ATOM 0 H GLY A 126 -12.113 9.927 -6.050 1.00 1.13 H new ATOM 0 HA2 GLY A 126 -11.615 12.215 -7.184 1.00 1.14 H new ATOM 0 HA3 GLY A 126 -11.880 12.820 -5.560 1.00 1.14 H new ATOM 34 N TYR A 127 -9.987 10.491 -5.008 1.00 0.61 N ATOM 35 CA TYR A 127 -8.661 9.967 -4.681 1.00 0.44 C ATOM 36 C TYR A 127 -7.792 9.814 -5.916 1.00 0.45 C ATOM 37 O TYR A 127 -8.252 9.438 -6.995 1.00 0.71 O ATOM 38 CB TYR A 127 -8.737 8.634 -3.913 1.00 0.37 C ATOM 39 CG TYR A 127 -9.098 8.825 -2.460 1.00 0.46 C ATOM 40 CD1 TYR A 127 -9.199 10.091 -1.902 1.00 1.26 C ATOM 41 CD2 TYR A 127 -9.346 7.725 -1.645 1.00 0.86 C ATOM 42 CE1 TYR A 127 -9.534 10.254 -0.571 1.00 1.38 C ATOM 43 CE2 TYR A 127 -9.678 7.881 -0.322 1.00 0.92 C ATOM 44 CZ TYR A 127 -9.753 9.208 0.207 1.00 0.78 C ATOM 45 OH TYR A 127 -10.089 9.280 1.532 1.00 0.96 O ATOM 0 H TYR A 127 -10.760 9.955 -4.613 1.00 0.61 H new ATOM 0 HA TYR A 127 -8.196 10.705 -4.027 1.00 0.44 H new ATOM 0 HB2 TYR A 127 -9.476 7.987 -4.386 1.00 0.37 H new ATOM 0 HB3 TYR A 127 -7.776 8.123 -3.982 1.00 0.37 H new ATOM 0 HD1 TYR A 127 -9.014 10.960 -2.515 1.00 1.26 H new ATOM 0 HD2 TYR A 127 -9.276 6.731 -2.061 1.00 0.86 H new ATOM 0 HE1 TYR A 127 -9.618 11.250 -0.161 1.00 1.38 H new ATOM 0 HE2 TYR A 127 -9.878 7.024 0.304 1.00 0.92 H new ATOM 0 HH TYR A 127 -10.200 8.375 1.891 1.00 0.96 H new ATOM 55 N MET A 128 -6.531 10.109 -5.716 1.00 0.38 N ATOM 56 CA MET A 128 -5.526 10.080 -6.738 1.00 0.41 C ATOM 57 C MET A 128 -4.725 8.822 -6.498 1.00 0.42 C ATOM 58 O MET A 128 -4.031 8.698 -5.501 1.00 0.43 O ATOM 59 CB MET A 128 -4.711 11.396 -6.636 1.00 0.46 C ATOM 60 CG MET A 128 -3.466 11.359 -5.759 1.00 0.45 C ATOM 61 SD MET A 128 -2.024 10.728 -6.628 1.00 0.52 S ATOM 62 CE MET A 128 -1.071 10.177 -5.224 1.00 0.46 C ATOM 0 H MET A 128 -6.168 10.385 -4.803 1.00 0.38 H new ATOM 0 HA MET A 128 -5.911 10.041 -7.757 1.00 0.41 H new ATOM 0 HB2 MET A 128 -4.411 11.690 -7.642 1.00 0.46 H new ATOM 0 HB3 MET A 128 -5.371 12.177 -6.259 1.00 0.46 H new ATOM 0 HG2 MET A 128 -3.254 12.364 -5.393 1.00 0.45 H new ATOM 0 HG3 MET A 128 -3.660 10.736 -4.886 1.00 0.45 H new ATOM 0 HE1 MET A 128 -0.198 9.624 -5.571 1.00 0.46 H new ATOM 0 HE2 MET A 128 -0.746 11.040 -4.643 1.00 0.46 H new ATOM 0 HE3 MET A 128 -1.686 9.529 -4.599 1.00 0.46 H new ATOM 72 N LEU A 129 -4.918 7.825 -7.341 1.00 0.57 N ATOM 73 CA LEU A 129 -4.313 6.547 -7.064 1.00 0.66 C ATOM 74 C LEU A 129 -2.837 6.741 -6.817 1.00 0.56 C ATOM 75 O LEU A 129 -2.084 7.119 -7.718 1.00 0.56 O ATOM 76 CB LEU A 129 -4.552 5.538 -8.163 1.00 0.92 C ATOM 77 CG LEU A 129 -4.173 4.131 -7.751 1.00 0.37 C ATOM 78 CD1 LEU A 129 -5.328 3.179 -7.977 1.00 1.12 C ATOM 79 CD2 LEU A 129 -2.930 3.692 -8.503 1.00 1.15 C ATOM 0 H LEU A 129 -5.472 7.875 -8.196 1.00 0.57 H new ATOM 0 HA LEU A 129 -4.785 6.136 -6.172 1.00 0.66 H new ATOM 0 HB2 LEU A 129 -5.604 5.559 -8.448 1.00 0.92 H new ATOM 0 HB3 LEU A 129 -3.977 5.822 -9.044 1.00 0.92 H new ATOM 0 HG LEU A 129 -3.947 4.118 -6.685 1.00 0.37 H new ATOM 0 HD11 LEU A 129 -5.035 2.174 -7.675 1.00 1.12 H new ATOM 0 HD12 LEU A 129 -6.185 3.500 -7.386 1.00 1.12 H new ATOM 0 HD13 LEU A 129 -5.596 3.177 -9.033 1.00 1.12 H new ATOM 0 HD21 LEU A 129 -2.662 2.679 -8.203 1.00 1.15 H new ATOM 0 HD22 LEU A 129 -3.127 3.713 -9.575 1.00 1.15 H new ATOM 0 HD23 LEU A 129 -2.107 4.369 -8.272 1.00 1.15 H new ATOM 91 N GLY A 130 -2.465 6.517 -5.566 1.00 0.57 N ATOM 92 CA GLY A 130 -1.180 6.912 -5.067 1.00 0.55 C ATOM 93 C GLY A 130 -0.064 6.085 -5.623 1.00 0.53 C ATOM 94 O GLY A 130 0.475 5.214 -4.939 1.00 0.58 O ATOM 0 H GLY A 130 -3.056 6.054 -4.875 1.00 0.57 H new ATOM 0 HA2 GLY A 130 -1.007 7.960 -5.312 1.00 0.55 H new ATOM 0 HA3 GLY A 130 -1.178 6.834 -3.980 1.00 0.55 H new ATOM 98 N SER A 131 0.225 6.343 -6.891 1.00 0.56 N ATOM 99 CA SER A 131 1.382 5.778 -7.574 1.00 0.62 C ATOM 100 C SER A 131 1.327 4.260 -7.657 1.00 0.63 C ATOM 101 O SER A 131 1.538 3.556 -6.667 1.00 1.04 O ATOM 102 CB SER A 131 2.669 6.214 -6.869 1.00 0.71 C ATOM 103 OG SER A 131 2.787 7.627 -6.886 1.00 1.30 O ATOM 0 H SER A 131 -0.341 6.955 -7.479 1.00 0.56 H new ATOM 0 HA SER A 131 1.369 6.158 -8.596 1.00 0.62 H new ATOM 0 HB2 SER A 131 2.667 5.855 -5.840 1.00 0.71 H new ATOM 0 HB3 SER A 131 3.531 5.765 -7.362 1.00 0.71 H new ATOM 0 HG SER A 131 3.708 7.881 -6.668 1.00 1.30 H new ATOM 109 N ALA A 132 1.052 3.746 -8.847 1.00 0.64 N ATOM 110 CA ALA A 132 1.143 2.319 -9.066 1.00 0.58 C ATOM 111 C ALA A 132 2.609 1.904 -9.146 1.00 0.53 C ATOM 112 O ALA A 132 3.141 1.651 -10.227 1.00 0.65 O ATOM 113 CB ALA A 132 0.401 1.895 -10.319 1.00 0.71 C ATOM 0 H ALA A 132 0.768 4.290 -9.662 1.00 0.64 H new ATOM 0 HA ALA A 132 0.669 1.815 -8.223 1.00 0.58 H new ATOM 0 HB1 ALA A 132 0.493 0.817 -10.449 1.00 0.71 H new ATOM 0 HB2 ALA A 132 -0.652 2.161 -10.226 1.00 0.71 H new ATOM 0 HB3 ALA A 132 0.828 2.402 -11.184 1.00 0.71 H new ATOM 119 N MET A 133 3.265 1.913 -7.994 1.00 0.46 N ATOM 120 CA MET A 133 4.652 1.483 -7.873 1.00 0.49 C ATOM 121 C MET A 133 4.814 0.041 -8.326 1.00 0.61 C ATOM 122 O MET A 133 3.848 -0.701 -8.414 1.00 1.65 O ATOM 123 CB MET A 133 5.141 1.645 -6.421 1.00 0.48 C ATOM 124 CG MET A 133 4.171 1.142 -5.366 1.00 0.41 C ATOM 125 SD MET A 133 4.705 -0.355 -4.513 1.00 0.73 S ATOM 126 CE MET A 133 3.577 -0.355 -3.113 1.00 0.40 C ATOM 0 H MET A 133 2.850 2.219 -7.114 1.00 0.46 H new ATOM 0 HA MET A 133 5.260 2.115 -8.520 1.00 0.49 H new ATOM 0 HB2 MET A 133 6.086 1.114 -6.309 1.00 0.48 H new ATOM 0 HB3 MET A 133 5.344 2.700 -6.236 1.00 0.48 H new ATOM 0 HG2 MET A 133 4.015 1.929 -4.629 1.00 0.41 H new ATOM 0 HG3 MET A 133 3.207 0.952 -5.838 1.00 0.41 H new ATOM 0 HE1 MET A 133 3.313 -1.381 -2.859 1.00 0.40 H new ATOM 0 HE2 MET A 133 4.059 0.118 -2.258 1.00 0.40 H new ATOM 0 HE3 MET A 133 2.674 0.198 -3.373 1.00 0.40 H new ATOM 136 N SER A 134 6.037 -0.355 -8.609 1.00 0.72 N ATOM 137 CA SER A 134 6.313 -1.721 -9.013 1.00 0.60 C ATOM 138 C SER A 134 6.928 -2.457 -7.836 1.00 0.52 C ATOM 139 O SER A 134 7.791 -3.323 -7.996 1.00 0.74 O ATOM 140 CB SER A 134 7.252 -1.726 -10.223 1.00 0.71 C ATOM 141 OG SER A 134 7.380 -3.025 -10.780 1.00 1.49 O ATOM 0 H SER A 134 6.858 0.249 -8.567 1.00 0.72 H new ATOM 0 HA SER A 134 5.392 -2.225 -9.306 1.00 0.60 H new ATOM 0 HB2 SER A 134 6.873 -1.040 -10.981 1.00 0.71 H new ATOM 0 HB3 SER A 134 8.234 -1.360 -9.924 1.00 0.71 H new ATOM 0 HG SER A 134 7.575 -3.669 -10.067 1.00 1.49 H new ATOM 147 N ARG A 135 6.436 -2.095 -6.652 1.00 0.47 N ATOM 148 CA ARG A 135 6.958 -2.568 -5.377 1.00 0.43 C ATOM 149 C ARG A 135 8.323 -1.965 -5.074 1.00 0.47 C ATOM 150 O ARG A 135 9.238 -2.024 -5.892 1.00 0.59 O ATOM 151 CB ARG A 135 7.011 -4.094 -5.286 1.00 0.55 C ATOM 152 CG ARG A 135 5.733 -4.659 -4.709 1.00 0.49 C ATOM 153 CD ARG A 135 5.286 -3.824 -3.535 1.00 1.38 C ATOM 154 NE ARG A 135 3.834 -3.862 -3.345 1.00 2.40 N ATOM 155 CZ ARG A 135 3.161 -4.933 -2.910 1.00 3.22 C ATOM 156 NH1 ARG A 135 3.800 -6.068 -2.667 1.00 3.47 N ATOM 157 NH2 ARG A 135 1.851 -4.876 -2.724 1.00 4.16 N ATOM 0 H ARG A 135 5.649 -1.453 -6.554 1.00 0.47 H new ATOM 0 HA ARG A 135 6.253 -2.227 -4.618 1.00 0.43 H new ATOM 0 HB2 ARG A 135 7.180 -4.513 -6.278 1.00 0.55 H new ATOM 0 HB3 ARG A 135 7.855 -4.393 -4.665 1.00 0.55 H new ATOM 0 HG2 ARG A 135 4.955 -4.675 -5.472 1.00 0.49 H new ATOM 0 HG3 ARG A 135 5.891 -5.690 -4.394 1.00 0.49 H new ATOM 0 HD2 ARG A 135 5.778 -4.181 -2.630 1.00 1.38 H new ATOM 0 HD3 ARG A 135 5.604 -2.792 -3.684 1.00 1.38 H new ATOM 0 HE ARG A 135 3.302 -3.018 -3.558 1.00 2.40 H new ATOM 0 HH11 ARG A 135 4.808 -6.127 -2.812 1.00 3.47 H new ATOM 0 HH12 ARG A 135 3.284 -6.883 -2.335 1.00 3.47 H new ATOM 0 HH21 ARG A 135 1.346 -4.010 -2.913 1.00 4.16 H new ATOM 0 HH22 ARG A 135 1.347 -5.698 -2.392 1.00 4.16 H new ATOM 171 N PRO A 136 8.480 -1.373 -3.875 1.00 0.43 N ATOM 172 CA PRO A 136 9.772 -0.897 -3.377 1.00 0.49 C ATOM 173 C PRO A 136 10.581 -2.073 -2.860 1.00 0.46 C ATOM 174 O PRO A 136 11.492 -1.920 -2.050 1.00 0.58 O ATOM 175 CB PRO A 136 9.404 0.049 -2.224 1.00 0.52 C ATOM 176 CG PRO A 136 7.910 0.125 -2.220 1.00 0.47 C ATOM 177 CD PRO A 136 7.420 -1.115 -2.901 1.00 0.40 C ATOM 0 HA PRO A 136 10.372 -0.404 -4.142 1.00 0.49 H new ATOM 0 HB2 PRO A 136 9.779 -0.329 -1.273 1.00 0.52 H new ATOM 0 HB3 PRO A 136 9.845 1.035 -2.371 1.00 0.52 H new ATOM 0 HG2 PRO A 136 7.527 0.185 -1.201 1.00 0.47 H new ATOM 0 HG3 PRO A 136 7.565 1.017 -2.743 1.00 0.47 H new ATOM 0 HD2 PRO A 136 7.299 -1.943 -2.202 1.00 0.40 H new ATOM 0 HD3 PRO A 136 6.454 -0.961 -3.382 1.00 0.40 H new ATOM 185 N LEU A 137 10.201 -3.238 -3.377 1.00 0.42 N ATOM 186 CA LEU A 137 10.738 -4.536 -3.026 1.00 0.48 C ATOM 187 C LEU A 137 11.027 -4.694 -1.542 1.00 0.45 C ATOM 188 O LEU A 137 12.099 -4.410 -1.025 1.00 0.62 O ATOM 189 CB LEU A 137 11.852 -5.023 -3.977 1.00 0.70 C ATOM 190 CG LEU A 137 13.004 -4.075 -4.411 1.00 0.77 C ATOM 191 CD1 LEU A 137 12.507 -2.932 -5.283 1.00 1.32 C ATOM 192 CD2 LEU A 137 13.790 -3.543 -3.224 1.00 1.33 C ATOM 0 H LEU A 137 9.472 -3.298 -4.088 1.00 0.42 H new ATOM 0 HA LEU A 137 9.931 -5.248 -3.202 1.00 0.48 H new ATOM 0 HB2 LEU A 137 12.313 -5.893 -3.510 1.00 0.70 H new ATOM 0 HB3 LEU A 137 11.365 -5.371 -4.888 1.00 0.70 H new ATOM 0 HG LEU A 137 13.683 -4.681 -5.011 1.00 0.77 H new ATOM 0 HD11 LEU A 137 13.347 -2.296 -5.562 1.00 1.32 H new ATOM 0 HD12 LEU A 137 12.043 -3.336 -6.183 1.00 1.32 H new ATOM 0 HD13 LEU A 137 11.774 -2.344 -4.730 1.00 1.32 H new ATOM 0 HD21 LEU A 137 14.584 -2.886 -3.578 1.00 1.33 H new ATOM 0 HD22 LEU A 137 13.123 -2.985 -2.567 1.00 1.33 H new ATOM 0 HD23 LEU A 137 14.228 -4.376 -2.674 1.00 1.33 H new ATOM 204 N ILE A 138 9.994 -5.173 -0.884 1.00 0.38 N ATOM 205 CA ILE A 138 9.941 -5.316 0.554 1.00 0.39 C ATOM 206 C ILE A 138 10.571 -6.637 1.005 1.00 0.50 C ATOM 207 O ILE A 138 10.873 -6.802 2.181 1.00 1.19 O ATOM 208 CB ILE A 138 8.463 -5.243 0.971 1.00 0.38 C ATOM 209 CG1 ILE A 138 7.860 -3.881 0.590 1.00 0.25 C ATOM 210 CG2 ILE A 138 8.265 -5.512 2.443 1.00 0.57 C ATOM 211 CD1 ILE A 138 8.346 -2.729 1.442 1.00 0.31 C ATOM 0 H ILE A 138 9.141 -5.483 -1.350 1.00 0.38 H new ATOM 0 HA ILE A 138 10.512 -4.519 1.031 1.00 0.39 H new ATOM 0 HB ILE A 138 7.941 -6.030 0.427 1.00 0.38 H new ATOM 0 HG12 ILE A 138 8.095 -3.671 -0.454 1.00 0.25 H new ATOM 0 HG13 ILE A 138 6.774 -3.942 0.666 1.00 0.25 H new ATOM 0 HG21 ILE A 138 7.204 -5.448 2.685 1.00 0.57 H new ATOM 0 HG22 ILE A 138 8.633 -6.510 2.683 1.00 0.57 H new ATOM 0 HG23 ILE A 138 8.815 -4.773 3.025 1.00 0.57 H new ATOM 0 HD11 ILE A 138 7.873 -1.805 1.109 1.00 0.31 H new ATOM 0 HD12 ILE A 138 8.087 -2.913 2.485 1.00 0.31 H new ATOM 0 HD13 ILE A 138 9.428 -2.638 1.347 1.00 0.31 H new ATOM 223 N HIS A 139 10.806 -7.546 0.032 1.00 0.65 N ATOM 224 CA HIS A 139 11.433 -8.877 0.260 1.00 0.75 C ATOM 225 C HIS A 139 11.054 -9.496 1.603 1.00 0.84 C ATOM 226 O HIS A 139 10.019 -10.138 1.687 1.00 1.80 O ATOM 227 CB HIS A 139 12.972 -8.843 0.105 1.00 0.84 C ATOM 228 CG HIS A 139 13.590 -7.524 0.444 1.00 0.72 C ATOM 229 ND1 HIS A 139 13.647 -6.862 1.616 1.00 1.02 N flip ATOM 230 CD2 HIS A 139 14.134 -6.686 -0.493 1.00 1.15 C flip ATOM 231 CE1 HIS A 139 14.192 -5.629 1.376 1.00 1.08 C flip ATOM 232 NE2 HIS A 139 14.491 -5.559 0.088 1.00 1.33 N flip ATOM 0 H HIS A 139 10.565 -7.379 -0.945 1.00 0.65 H new ATOM 0 HA HIS A 139 11.026 -9.516 -0.524 1.00 0.75 H new ATOM 0 HB2 HIS A 139 13.408 -9.611 0.743 1.00 0.84 H new ATOM 0 HB3 HIS A 139 13.229 -9.099 -0.923 1.00 0.84 H new ATOM 0 HD2 HIS A 139 14.252 -6.913 -1.542 1.00 1.15 H new ATOM 0 HE1 HIS A 139 14.350 -4.851 2.108 1.00 1.08 H new ATOM 0 HE2 HIS A 139 14.926 -4.763 -0.378 1.00 1.33 H new ATOM 241 N PHE A 140 11.918 -9.260 2.617 1.00 0.66 N ATOM 242 CA PHE A 140 11.809 -9.755 4.007 1.00 0.54 C ATOM 243 C PHE A 140 12.988 -10.656 4.338 1.00 0.63 C ATOM 244 O PHE A 140 13.596 -10.526 5.401 1.00 0.76 O ATOM 245 CB PHE A 140 10.493 -10.480 4.349 1.00 0.53 C ATOM 246 CG PHE A 140 9.314 -9.559 4.447 1.00 0.40 C ATOM 247 CD1 PHE A 140 9.390 -8.394 5.187 1.00 0.72 C ATOM 248 CD2 PHE A 140 8.125 -9.873 3.815 1.00 0.71 C ATOM 249 CE1 PHE A 140 8.302 -7.559 5.297 1.00 0.74 C ATOM 250 CE2 PHE A 140 7.032 -9.043 3.925 1.00 0.67 C ATOM 251 CZ PHE A 140 7.155 -7.835 4.590 1.00 0.35 C ATOM 0 H PHE A 140 12.753 -8.690 2.480 1.00 0.66 H new ATOM 0 HA PHE A 140 11.815 -8.856 4.624 1.00 0.54 H new ATOM 0 HB2 PHE A 140 10.294 -11.234 3.587 1.00 0.53 H new ATOM 0 HB3 PHE A 140 10.613 -11.007 5.296 1.00 0.53 H new ATOM 0 HD1 PHE A 140 10.313 -8.136 5.684 1.00 0.72 H new ATOM 0 HD2 PHE A 140 8.053 -10.778 3.230 1.00 0.71 H new ATOM 0 HE1 PHE A 140 8.348 -6.690 5.936 1.00 0.74 H new ATOM 0 HE2 PHE A 140 6.084 -9.333 3.495 1.00 0.67 H new ATOM 0 HZ PHE A 140 6.353 -7.112 4.554 1.00 0.35 H new ATOM 261 N GLY A 141 13.330 -11.541 3.417 1.00 0.66 N ATOM 262 CA GLY A 141 14.393 -12.497 3.669 1.00 0.77 C ATOM 263 C GLY A 141 13.813 -13.825 4.085 1.00 0.74 C ATOM 264 O GLY A 141 14.511 -14.713 4.577 1.00 0.86 O ATOM 0 H GLY A 141 12.893 -11.617 2.499 1.00 0.66 H new ATOM 0 HA2 GLY A 141 14.999 -12.622 2.772 1.00 0.77 H new ATOM 0 HA3 GLY A 141 15.053 -12.120 4.450 1.00 0.77 H new ATOM 268 N ASN A 142 12.516 -13.932 3.882 1.00 0.63 N ATOM 269 CA ASN A 142 11.751 -15.126 4.207 1.00 0.63 C ATOM 270 C ASN A 142 11.563 -15.970 2.959 1.00 0.63 C ATOM 271 O ASN A 142 12.152 -15.701 1.913 1.00 0.65 O ATOM 272 CB ASN A 142 10.360 -14.761 4.753 1.00 0.61 C ATOM 273 CG ASN A 142 10.412 -13.825 5.954 1.00 0.81 C ATOM 274 OD1 ASN A 142 9.515 -13.010 6.159 1.00 1.68 O ATOM 275 ND2 ASN A 142 11.452 -13.942 6.769 1.00 1.02 N ATOM 0 H ASN A 142 11.952 -13.183 3.481 1.00 0.63 H new ATOM 0 HA ASN A 142 12.304 -15.679 4.967 1.00 0.63 H new ATOM 0 HB2 ASN A 142 9.777 -14.292 3.960 1.00 0.61 H new ATOM 0 HB3 ASN A 142 9.837 -15.675 5.035 1.00 0.61 H new ATOM 0 HD21 ASN A 142 11.523 -13.346 7.593 1.00 1.02 H new ATOM 0 HD22 ASN A 142 12.180 -14.628 6.571 1.00 1.02 H new ATOM 282 N ASP A 143 10.787 -17.020 3.088 1.00 0.66 N ATOM 283 CA ASP A 143 10.396 -17.823 1.945 1.00 0.67 C ATOM 284 C ASP A 143 8.975 -17.507 1.544 1.00 0.61 C ATOM 285 O ASP A 143 8.727 -16.938 0.484 1.00 0.57 O ATOM 286 CB ASP A 143 10.537 -19.315 2.237 1.00 0.79 C ATOM 287 CG ASP A 143 10.110 -20.161 1.055 1.00 1.34 C ATOM 288 OD1 ASP A 143 10.856 -20.207 0.056 1.00 1.77 O ATOM 289 OD2 ASP A 143 9.028 -20.774 1.114 1.00 2.11 O ATOM 0 H ASP A 143 10.409 -17.343 3.979 1.00 0.66 H new ATOM 0 HA ASP A 143 11.065 -17.575 1.121 1.00 0.67 H new ATOM 0 HB2 ASP A 143 11.573 -19.540 2.490 1.00 0.79 H new ATOM 0 HB3 ASP A 143 9.933 -19.574 3.107 1.00 0.79 H new ATOM 294 N TYR A 144 8.043 -17.849 2.424 1.00 0.64 N ATOM 295 CA TYR A 144 6.637 -17.753 2.102 1.00 0.62 C ATOM 296 C TYR A 144 6.070 -16.401 2.490 1.00 0.55 C ATOM 297 O TYR A 144 5.053 -16.002 1.954 1.00 0.53 O ATOM 298 CB TYR A 144 5.837 -18.874 2.766 1.00 0.76 C ATOM 299 CG TYR A 144 4.456 -19.046 2.173 1.00 0.80 C ATOM 300 CD1 TYR A 144 4.276 -19.318 0.822 1.00 1.17 C ATOM 301 CD2 TYR A 144 3.328 -18.947 2.976 1.00 0.98 C ATOM 302 CE1 TYR A 144 3.010 -19.485 0.293 1.00 1.28 C ATOM 303 CE2 TYR A 144 2.061 -19.112 2.455 1.00 1.09 C ATOM 304 CZ TYR A 144 1.926 -19.340 1.055 1.00 1.08 C ATOM 305 OH TYR A 144 0.645 -19.551 0.589 1.00 1.26 O ATOM 0 H TYR A 144 8.241 -18.194 3.363 1.00 0.64 H new ATOM 0 HA TYR A 144 6.548 -17.862 1.021 1.00 0.62 H new ATOM 0 HB2 TYR A 144 6.386 -19.811 2.671 1.00 0.76 H new ATOM 0 HB3 TYR A 144 5.745 -18.665 3.832 1.00 0.76 H new ATOM 0 HD1 TYR A 144 5.138 -19.400 0.176 1.00 1.17 H new ATOM 0 HD2 TYR A 144 3.444 -18.737 4.029 1.00 0.98 H new ATOM 0 HE1 TYR A 144 2.898 -19.736 -0.751 1.00 1.28 H new ATOM 0 HE2 TYR A 144 1.191 -19.069 3.094 1.00 1.09 H new ATOM 0 HH TYR A 144 0.003 -19.390 1.312 1.00 1.26 H new ATOM 315 N GLU A 145 6.705 -15.696 3.423 1.00 0.58 N ATOM 316 CA GLU A 145 6.273 -14.334 3.725 1.00 0.54 C ATOM 317 C GLU A 145 6.797 -13.371 2.671 1.00 0.51 C ATOM 318 O GLU A 145 6.115 -12.409 2.314 1.00 0.50 O ATOM 319 CB GLU A 145 6.698 -13.881 5.113 1.00 0.61 C ATOM 320 CG GLU A 145 6.076 -14.694 6.231 1.00 0.76 C ATOM 321 CD GLU A 145 6.214 -14.025 7.582 1.00 1.31 C ATOM 322 OE1 GLU A 145 5.714 -12.890 7.741 1.00 1.71 O ATOM 323 OE2 GLU A 145 6.802 -14.636 8.498 1.00 1.74 O ATOM 0 H GLU A 145 7.498 -16.032 3.969 1.00 0.58 H new ATOM 0 HA GLU A 145 5.183 -14.332 3.710 1.00 0.54 H new ATOM 0 HB2 GLU A 145 7.784 -13.943 5.190 1.00 0.61 H new ATOM 0 HB3 GLU A 145 6.428 -12.833 5.243 1.00 0.61 H new ATOM 0 HG2 GLU A 145 5.020 -14.854 6.015 1.00 0.76 H new ATOM 0 HG3 GLU A 145 6.547 -15.677 6.266 1.00 0.76 H new ATOM 330 N ASP A 146 8.010 -13.632 2.176 1.00 0.54 N ATOM 331 CA ASP A 146 8.523 -12.909 1.013 1.00 0.54 C ATOM 332 C ASP A 146 7.599 -13.128 -0.131 1.00 0.48 C ATOM 333 O ASP A 146 7.092 -12.200 -0.747 1.00 0.51 O ATOM 334 CB ASP A 146 9.874 -13.414 0.548 1.00 0.57 C ATOM 335 CG ASP A 146 11.004 -12.941 1.419 1.00 0.87 C ATOM 336 OD1 ASP A 146 10.767 -12.724 2.608 1.00 1.30 O ATOM 337 OD2 ASP A 146 12.130 -12.752 0.908 1.00 1.38 O ATOM 0 H ASP A 146 8.647 -14.331 2.558 1.00 0.54 H new ATOM 0 HA ASP A 146 8.610 -11.865 1.314 1.00 0.54 H new ATOM 0 HB2 ASP A 146 9.864 -14.504 0.534 1.00 0.57 H new ATOM 0 HB3 ASP A 146 10.048 -13.083 -0.476 1.00 0.57 H new ATOM 342 N ARG A 147 7.422 -14.399 -0.415 1.00 0.44 N ATOM 343 CA ARG A 147 6.570 -14.838 -1.469 1.00 0.45 C ATOM 344 C ARG A 147 5.173 -14.255 -1.270 1.00 0.38 C ATOM 345 O ARG A 147 4.583 -13.729 -2.199 1.00 0.35 O ATOM 346 CB ARG A 147 6.549 -16.362 -1.485 1.00 0.59 C ATOM 347 CG ARG A 147 5.875 -16.962 -2.713 1.00 0.80 C ATOM 348 CD ARG A 147 4.396 -16.701 -2.715 1.00 0.67 C ATOM 349 NE ARG A 147 3.815 -16.878 -4.045 1.00 1.38 N ATOM 350 CZ ARG A 147 2.658 -17.491 -4.293 1.00 1.78 C ATOM 351 NH1 ARG A 147 1.919 -17.972 -3.304 1.00 1.90 N ATOM 352 NH2 ARG A 147 2.233 -17.602 -5.542 1.00 2.55 N ATOM 0 H ARG A 147 7.877 -15.157 0.093 1.00 0.44 H new ATOM 0 HA ARG A 147 6.941 -14.490 -2.433 1.00 0.45 H new ATOM 0 HB2 ARG A 147 7.574 -16.729 -1.430 1.00 0.59 H new ATOM 0 HB3 ARG A 147 6.035 -16.717 -0.592 1.00 0.59 H new ATOM 0 HG2 ARG A 147 6.320 -16.542 -3.615 1.00 0.80 H new ATOM 0 HG3 ARG A 147 6.055 -18.037 -2.739 1.00 0.80 H new ATOM 0 HD2 ARG A 147 3.907 -17.375 -2.012 1.00 0.67 H new ATOM 0 HD3 ARG A 147 4.206 -15.686 -2.367 1.00 0.67 H new ATOM 0 HE ARG A 147 4.333 -16.505 -4.841 1.00 1.38 H new ATOM 0 HH11 ARG A 147 2.234 -17.875 -2.339 1.00 1.90 H new ATOM 0 HH12 ARG A 147 1.035 -18.439 -3.508 1.00 1.90 H new ATOM 0 HH21 ARG A 147 2.790 -17.220 -6.306 1.00 2.55 H new ATOM 0 HH22 ARG A 147 1.349 -18.070 -5.740 1.00 2.55 H new ATOM 366 N TYR A 148 4.655 -14.365 -0.056 1.00 0.39 N ATOM 367 CA TYR A 148 3.377 -13.760 0.297 1.00 0.38 C ATOM 368 C TYR A 148 3.354 -12.316 -0.153 1.00 0.32 C ATOM 369 O TYR A 148 2.489 -11.927 -0.918 1.00 0.44 O ATOM 370 CB TYR A 148 3.154 -13.838 1.806 1.00 0.53 C ATOM 371 CG TYR A 148 1.961 -14.661 2.260 1.00 0.90 C ATOM 372 CD1 TYR A 148 1.352 -15.538 1.374 1.00 1.93 C ATOM 373 CD2 TYR A 148 1.442 -14.569 3.548 1.00 1.13 C ATOM 374 CE1 TYR A 148 0.267 -16.298 1.752 1.00 2.86 C ATOM 375 CE2 TYR A 148 0.356 -15.334 3.933 1.00 1.93 C ATOM 376 CZ TYR A 148 -0.220 -16.137 3.155 1.00 2.73 C ATOM 377 OH TYR A 148 -1.299 -16.973 3.407 1.00 3.74 O ATOM 0 H TYR A 148 5.103 -14.872 0.707 1.00 0.39 H new ATOM 0 HA TYR A 148 2.577 -14.306 -0.204 1.00 0.38 H new ATOM 0 HB2 TYR A 148 4.052 -14.252 2.265 1.00 0.53 H new ATOM 0 HB3 TYR A 148 3.038 -12.824 2.189 1.00 0.53 H new ATOM 0 HD1 TYR A 148 1.736 -15.627 0.368 1.00 1.93 H new ATOM 0 HD2 TYR A 148 1.894 -13.891 4.257 1.00 1.13 H new ATOM 0 HE1 TYR A 148 -0.211 -16.980 1.064 1.00 2.86 H new ATOM 0 HE2 TYR A 148 -0.013 -15.238 4.944 1.00 1.93 H new ATOM 0 HH TYR A 148 -2.056 -16.442 3.732 1.00 3.74 H new ATOM 387 N TYR A 149 4.303 -11.528 0.326 1.00 0.27 N ATOM 388 CA TYR A 149 4.512 -10.184 -0.186 1.00 0.25 C ATOM 389 C TYR A 149 4.612 -10.137 -1.727 1.00 0.25 C ATOM 390 O TYR A 149 4.021 -9.263 -2.363 1.00 0.29 O ATOM 391 CB TYR A 149 5.774 -9.578 0.439 1.00 0.35 C ATOM 392 CG TYR A 149 6.514 -8.665 -0.501 1.00 0.31 C ATOM 393 CD1 TYR A 149 6.006 -7.413 -0.817 1.00 1.17 C ATOM 394 CD2 TYR A 149 7.739 -9.031 -1.029 1.00 0.85 C ATOM 395 CE1 TYR A 149 6.702 -6.552 -1.635 1.00 1.32 C ATOM 396 CE2 TYR A 149 8.436 -8.178 -1.855 1.00 0.80 C ATOM 397 CZ TYR A 149 7.829 -7.029 -2.306 1.00 0.63 C ATOM 398 OH TYR A 149 8.622 -6.090 -2.956 1.00 0.81 O ATOM 0 H TYR A 149 4.944 -11.798 1.072 1.00 0.27 H new ATOM 0 HA TYR A 149 3.637 -9.597 0.093 1.00 0.25 H new ATOM 0 HB2 TYR A 149 5.498 -9.022 1.335 1.00 0.35 H new ATOM 0 HB3 TYR A 149 6.439 -10.382 0.755 1.00 0.35 H new ATOM 0 HD1 TYR A 149 5.051 -7.110 -0.415 1.00 1.17 H new ATOM 0 HD2 TYR A 149 8.154 -9.999 -0.790 1.00 0.85 H new ATOM 0 HE1 TYR A 149 6.382 -5.527 -1.755 1.00 1.32 H new ATOM 0 HE2 TYR A 149 9.450 -8.409 -2.146 1.00 0.80 H new ATOM 0 HH TYR A 149 8.685 -6.317 -3.907 1.00 0.81 H new ATOM 408 N ARG A 150 5.352 -11.061 -2.318 1.00 0.27 N ATOM 409 CA ARG A 150 5.664 -11.003 -3.749 1.00 0.30 C ATOM 410 C ARG A 150 4.435 -11.280 -4.612 1.00 0.33 C ATOM 411 O ARG A 150 4.366 -10.877 -5.771 1.00 0.40 O ATOM 412 CB ARG A 150 6.771 -11.990 -4.103 1.00 0.32 C ATOM 413 CG ARG A 150 6.258 -13.359 -4.503 1.00 0.78 C ATOM 414 CD ARG A 150 7.304 -14.144 -5.267 1.00 0.83 C ATOM 415 NE ARG A 150 7.794 -13.407 -6.431 1.00 0.94 N ATOM 416 CZ ARG A 150 8.741 -13.863 -7.248 1.00 1.23 C ATOM 417 NH1 ARG A 150 9.238 -15.085 -7.081 1.00 1.61 N ATOM 418 NH2 ARG A 150 9.180 -13.106 -8.246 1.00 1.36 N ATOM 0 H ARG A 150 5.752 -11.865 -1.833 1.00 0.27 H new ATOM 0 HA ARG A 150 6.005 -9.989 -3.958 1.00 0.30 H new ATOM 0 HB2 ARG A 150 7.364 -11.580 -4.921 1.00 0.32 H new ATOM 0 HB3 ARG A 150 7.438 -12.097 -3.248 1.00 0.32 H new ATOM 0 HG2 ARG A 150 5.965 -13.913 -3.611 1.00 0.78 H new ATOM 0 HG3 ARG A 150 5.364 -13.248 -5.117 1.00 0.78 H new ATOM 0 HD2 ARG A 150 8.139 -14.376 -4.606 1.00 0.83 H new ATOM 0 HD3 ARG A 150 6.880 -15.095 -5.591 1.00 0.83 H new ATOM 0 HE ARG A 150 7.388 -12.492 -6.628 1.00 0.94 H new ATOM 0 HH11 ARG A 150 8.894 -15.677 -6.325 1.00 1.61 H new ATOM 0 HH12 ARG A 150 9.963 -15.431 -7.709 1.00 1.61 H new ATOM 0 HH21 ARG A 150 8.792 -12.174 -8.388 1.00 1.36 H new ATOM 0 HH22 ARG A 150 9.906 -13.457 -8.871 1.00 1.36 H new ATOM 432 N GLU A 151 3.478 -11.964 -4.038 1.00 0.36 N ATOM 433 CA GLU A 151 2.260 -12.294 -4.724 1.00 0.45 C ATOM 434 C GLU A 151 1.245 -11.260 -4.299 1.00 0.49 C ATOM 435 O GLU A 151 0.344 -10.893 -5.046 1.00 0.59 O ATOM 436 CB GLU A 151 1.798 -13.718 -4.394 1.00 0.57 C ATOM 437 CG GLU A 151 1.716 -14.007 -2.912 1.00 0.82 C ATOM 438 CD GLU A 151 0.699 -15.080 -2.586 1.00 1.60 C ATOM 439 OE1 GLU A 151 -0.341 -15.138 -3.272 1.00 2.11 O ATOM 440 OE2 GLU A 151 0.942 -15.875 -1.657 1.00 2.16 O ATOM 0 H GLU A 151 3.524 -12.308 -3.079 1.00 0.36 H new ATOM 0 HA GLU A 151 2.399 -12.278 -5.805 1.00 0.45 H new ATOM 0 HB2 GLU A 151 0.818 -13.885 -4.842 1.00 0.57 H new ATOM 0 HB3 GLU A 151 2.484 -14.428 -4.855 1.00 0.57 H new ATOM 0 HG2 GLU A 151 2.696 -14.318 -2.551 1.00 0.82 H new ATOM 0 HG3 GLU A 151 1.457 -13.091 -2.380 1.00 0.82 H new ATOM 447 N ASN A 152 1.481 -10.756 -3.076 1.00 0.45 N ATOM 448 CA ASN A 152 0.747 -9.647 -2.459 1.00 0.50 C ATOM 449 C ASN A 152 0.895 -8.388 -3.277 1.00 0.55 C ATOM 450 O ASN A 152 0.449 -7.322 -2.909 1.00 0.88 O ATOM 451 CB ASN A 152 1.188 -9.471 -0.988 1.00 0.46 C ATOM 452 CG ASN A 152 1.494 -8.046 -0.547 1.00 0.51 C ATOM 453 OD1 ASN A 152 0.609 -7.295 -0.183 1.00 0.85 O ATOM 454 ND2 ASN A 152 2.761 -7.679 -0.547 1.00 0.67 N ATOM 0 H ASN A 152 2.215 -11.125 -2.471 1.00 0.45 H new ATOM 0 HA ASN A 152 -0.318 -9.878 -2.445 1.00 0.50 H new ATOM 0 HB2 ASN A 152 0.403 -9.868 -0.344 1.00 0.46 H new ATOM 0 HB3 ASN A 152 2.076 -10.080 -0.821 1.00 0.46 H new ATOM 0 HD21 ASN A 152 3.021 -6.743 -0.236 1.00 0.67 H new ATOM 0 HD22 ASN A 152 3.481 -8.331 -0.858 1.00 0.67 H new ATOM 461 N MET A 153 1.603 -8.498 -4.354 1.00 0.43 N ATOM 462 CA MET A 153 1.726 -7.400 -5.254 1.00 0.46 C ATOM 463 C MET A 153 0.770 -7.524 -6.450 1.00 0.51 C ATOM 464 O MET A 153 0.610 -6.594 -7.236 1.00 0.63 O ATOM 465 CB MET A 153 3.164 -7.331 -5.637 1.00 0.42 C ATOM 466 CG MET A 153 3.519 -7.821 -7.025 1.00 0.92 C ATOM 467 SD MET A 153 5.300 -7.908 -7.207 1.00 1.27 S ATOM 468 CE MET A 153 5.701 -8.187 -5.485 1.00 1.39 C ATOM 0 H MET A 153 2.106 -9.341 -4.632 1.00 0.43 H new ATOM 0 HA MET A 153 1.427 -6.463 -4.784 1.00 0.46 H new ATOM 0 HB2 MET A 153 3.491 -6.295 -5.547 1.00 0.42 H new ATOM 0 HB3 MET A 153 3.738 -7.911 -4.914 1.00 0.42 H new ATOM 0 HG2 MET A 153 3.079 -8.803 -7.196 1.00 0.92 H new ATOM 0 HG3 MET A 153 3.101 -7.149 -7.775 1.00 0.92 H new ATOM 0 HE1 MET A 153 6.692 -8.634 -5.410 1.00 1.39 H new ATOM 0 HE2 MET A 153 5.690 -7.237 -4.950 1.00 1.39 H new ATOM 0 HE3 MET A 153 4.965 -8.860 -5.044 1.00 1.39 H new ATOM 478 N TYR A 154 0.127 -8.675 -6.569 1.00 0.49 N ATOM 479 CA TYR A 154 -0.913 -8.875 -7.573 1.00 0.55 C ATOM 480 C TYR A 154 -2.279 -8.914 -6.897 1.00 0.47 C ATOM 481 O TYR A 154 -3.225 -8.251 -7.320 1.00 0.59 O ATOM 482 CB TYR A 154 -0.679 -10.176 -8.344 1.00 0.66 C ATOM 483 CG TYR A 154 0.548 -10.157 -9.225 1.00 1.18 C ATOM 484 CD1 TYR A 154 0.489 -9.677 -10.527 1.00 2.12 C ATOM 485 CD2 TYR A 154 1.770 -10.609 -8.747 1.00 1.57 C ATOM 486 CE1 TYR A 154 1.614 -9.651 -11.329 1.00 3.05 C ATOM 487 CE2 TYR A 154 2.897 -10.588 -9.541 1.00 2.39 C ATOM 488 CZ TYR A 154 2.798 -10.135 -10.858 1.00 3.08 C ATOM 489 OH TYR A 154 3.946 -10.076 -11.623 1.00 4.05 O ATOM 0 H TYR A 154 0.306 -9.489 -5.982 1.00 0.49 H new ATOM 0 HA TYR A 154 -0.879 -8.045 -8.278 1.00 0.55 H new ATOM 0 HB2 TYR A 154 -0.590 -10.997 -7.632 1.00 0.66 H new ATOM 0 HB3 TYR A 154 -1.553 -10.383 -8.961 1.00 0.66 H new ATOM 0 HD1 TYR A 154 -0.451 -9.318 -10.919 1.00 2.12 H new ATOM 0 HD2 TYR A 154 1.839 -10.983 -7.736 1.00 1.57 H new ATOM 0 HE1 TYR A 154 1.555 -9.247 -12.329 1.00 3.05 H new ATOM 0 HE2 TYR A 154 3.847 -10.919 -9.148 1.00 2.39 H new ATOM 0 HH TYR A 154 4.693 -10.468 -11.123 1.00 4.05 H new ATOM 499 N ARG A 155 -2.347 -9.694 -5.827 1.00 0.37 N ATOM 500 CA ARG A 155 -3.551 -9.846 -5.019 1.00 0.36 C ATOM 501 C ARG A 155 -3.786 -8.598 -4.212 1.00 0.31 C ATOM 502 O ARG A 155 -4.888 -8.062 -4.150 1.00 0.41 O ATOM 503 CB ARG A 155 -3.342 -11.009 -4.077 1.00 0.43 C ATOM 504 CG ARG A 155 -1.964 -10.990 -3.450 1.00 0.63 C ATOM 505 CD ARG A 155 -1.684 -12.320 -2.767 1.00 0.58 C ATOM 506 NE ARG A 155 -0.703 -12.242 -1.703 1.00 0.78 N ATOM 507 CZ ARG A 155 -0.906 -12.751 -0.491 1.00 1.20 C ATOM 508 NH1 ARG A 155 -2.059 -13.332 -0.192 1.00 1.05 N ATOM 509 NH2 ARG A 155 0.040 -12.683 0.421 1.00 1.89 N ATOM 0 H ARG A 155 -1.558 -10.246 -5.491 1.00 0.37 H new ATOM 0 HA ARG A 155 -4.412 -10.021 -5.664 1.00 0.36 H new ATOM 0 HB2 ARG A 155 -4.098 -10.980 -3.292 1.00 0.43 H new ATOM 0 HB3 ARG A 155 -3.481 -11.944 -4.619 1.00 0.43 H new ATOM 0 HG2 ARG A 155 -1.211 -10.799 -4.214 1.00 0.63 H new ATOM 0 HG3 ARG A 155 -1.896 -10.179 -2.725 1.00 0.63 H new ATOM 0 HD2 ARG A 155 -2.616 -12.711 -2.359 1.00 0.58 H new ATOM 0 HD3 ARG A 155 -1.338 -13.035 -3.514 1.00 0.58 H new ATOM 0 HE ARG A 155 0.184 -11.775 -1.892 1.00 0.78 H new ATOM 0 HH11 ARG A 155 -2.797 -13.391 -0.893 1.00 1.05 H new ATOM 0 HH12 ARG A 155 -2.208 -13.720 0.739 1.00 1.05 H new ATOM 0 HH21 ARG A 155 0.931 -12.239 0.199 1.00 1.89 H new ATOM 0 HH22 ARG A 155 -0.118 -13.074 1.350 1.00 1.89 H new ATOM 523 N TYR A 156 -2.722 -8.158 -3.588 1.00 0.27 N ATOM 524 CA TYR A 156 -2.696 -6.897 -2.921 1.00 0.28 C ATOM 525 C TYR A 156 -1.954 -6.029 -3.868 1.00 0.39 C ATOM 526 O TYR A 156 -1.198 -6.547 -4.675 1.00 0.78 O ATOM 527 CB TYR A 156 -1.988 -7.043 -1.592 1.00 0.35 C ATOM 528 CG TYR A 156 -2.644 -8.092 -0.737 1.00 0.95 C ATOM 529 CD1 TYR A 156 -3.994 -8.022 -0.431 1.00 1.51 C ATOM 530 CD2 TYR A 156 -1.922 -9.172 -0.269 1.00 1.36 C ATOM 531 CE1 TYR A 156 -4.599 -9.005 0.318 1.00 2.14 C ATOM 532 CE2 TYR A 156 -2.516 -10.151 0.484 1.00 1.99 C ATOM 533 CZ TYR A 156 -3.853 -10.066 0.774 1.00 2.31 C ATOM 534 OH TYR A 156 -4.448 -11.057 1.504 1.00 2.98 O ATOM 0 H TYR A 156 -1.845 -8.676 -3.533 1.00 0.27 H new ATOM 0 HA TYR A 156 -3.679 -6.488 -2.686 1.00 0.28 H new ATOM 0 HB2 TYR A 156 -0.944 -7.308 -1.761 1.00 0.35 H new ATOM 0 HB3 TYR A 156 -1.993 -6.087 -1.068 1.00 0.35 H new ATOM 0 HD1 TYR A 156 -4.578 -7.185 -0.785 1.00 1.51 H new ATOM 0 HD2 TYR A 156 -0.870 -9.247 -0.501 1.00 1.36 H new ATOM 0 HE1 TYR A 156 -5.653 -8.943 0.546 1.00 2.14 H new ATOM 0 HE2 TYR A 156 -1.934 -10.985 0.847 1.00 1.99 H new ATOM 0 HH TYR A 156 -4.128 -11.929 1.193 1.00 2.98 H new ATOM 544 N PRO A 157 -2.162 -4.751 -3.910 1.00 0.28 N ATOM 545 CA PRO A 157 -1.581 -4.027 -4.984 1.00 0.29 C ATOM 546 C PRO A 157 -0.306 -3.300 -4.607 1.00 0.34 C ATOM 547 O PRO A 157 0.028 -3.141 -3.432 1.00 0.66 O ATOM 548 CB PRO A 157 -2.672 -3.019 -5.249 1.00 0.31 C ATOM 549 CG PRO A 157 -3.021 -2.609 -3.853 1.00 0.32 C ATOM 550 CD PRO A 157 -3.003 -3.897 -3.053 1.00 0.33 C ATOM 0 HA PRO A 157 -1.289 -4.667 -5.817 1.00 0.29 H new ATOM 0 HB2 PRO A 157 -2.322 -2.180 -5.851 1.00 0.31 H new ATOM 0 HB3 PRO A 157 -3.520 -3.457 -5.775 1.00 0.31 H new ATOM 0 HG2 PRO A 157 -2.302 -1.890 -3.461 1.00 0.32 H new ATOM 0 HG3 PRO A 157 -4.001 -2.133 -3.814 1.00 0.32 H new ATOM 0 HD2 PRO A 157 -2.574 -3.760 -2.060 1.00 0.33 H new ATOM 0 HD3 PRO A 157 -4.002 -4.310 -2.914 1.00 0.33 H new ATOM 558 N ASN A 158 0.380 -2.827 -5.612 1.00 0.32 N ATOM 559 CA ASN A 158 1.481 -1.924 -5.408 1.00 0.31 C ATOM 560 C ASN A 158 1.033 -0.516 -5.738 1.00 0.33 C ATOM 561 O ASN A 158 1.597 0.155 -6.592 1.00 0.42 O ATOM 562 CB ASN A 158 2.690 -2.341 -6.237 1.00 0.40 C ATOM 563 CG ASN A 158 2.331 -3.239 -7.406 1.00 0.74 C ATOM 564 OD1 ASN A 158 2.342 -4.458 -7.284 1.00 1.47 O ATOM 565 ND2 ASN A 158 2.019 -2.646 -8.545 1.00 1.42 N ATOM 0 H ASN A 158 0.194 -3.054 -6.589 1.00 0.32 H new ATOM 0 HA ASN A 158 1.791 -1.957 -4.363 1.00 0.31 H new ATOM 0 HB2 ASN A 158 3.190 -1.448 -6.613 1.00 0.40 H new ATOM 0 HB3 ASN A 158 3.402 -2.859 -5.594 1.00 0.40 H new ATOM 0 HD21 ASN A 158 1.776 -3.206 -9.362 1.00 1.42 H new ATOM 0 HD22 ASN A 158 2.021 -1.628 -8.607 1.00 1.42 H new ATOM 572 N GLN A 159 -0.027 -0.109 -5.062 1.00 0.30 N ATOM 573 CA GLN A 159 -0.615 1.204 -5.232 1.00 0.31 C ATOM 574 C GLN A 159 -1.586 1.458 -4.092 1.00 0.28 C ATOM 575 O GLN A 159 -2.003 0.515 -3.421 1.00 0.29 O ATOM 576 CB GLN A 159 -1.341 1.287 -6.572 1.00 0.38 C ATOM 577 CG GLN A 159 -2.423 0.229 -6.740 1.00 0.44 C ATOM 578 CD GLN A 159 -2.993 0.177 -8.145 1.00 0.92 C ATOM 579 OE1 GLN A 159 -2.298 0.446 -9.122 1.00 1.63 O ATOM 580 NE2 GLN A 159 -4.268 -0.167 -8.255 1.00 1.50 N ATOM 0 H GLN A 159 -0.507 -0.688 -4.373 1.00 0.30 H new ATOM 0 HA GLN A 159 0.169 1.961 -5.221 1.00 0.31 H new ATOM 0 HB2 GLN A 159 -1.790 2.275 -6.673 1.00 0.38 H new ATOM 0 HB3 GLN A 159 -0.614 1.184 -7.378 1.00 0.38 H new ATOM 0 HG2 GLN A 159 -2.010 -0.747 -6.486 1.00 0.44 H new ATOM 0 HG3 GLN A 159 -3.230 0.428 -6.034 1.00 0.44 H new ATOM 0 HE21 GLN A 159 -4.812 -0.383 -7.420 1.00 1.50 H new ATOM 0 HE22 GLN A 159 -4.706 -0.216 -9.175 1.00 1.50 H new ATOM 589 N VAL A 160 -1.962 2.706 -3.880 1.00 0.30 N ATOM 590 CA VAL A 160 -2.854 3.045 -2.798 1.00 0.28 C ATOM 591 C VAL A 160 -3.872 4.074 -3.256 1.00 0.31 C ATOM 592 O VAL A 160 -3.745 4.641 -4.335 1.00 0.53 O ATOM 593 CB VAL A 160 -2.102 3.546 -1.551 1.00 0.28 C ATOM 594 CG1 VAL A 160 -1.710 2.383 -0.649 1.00 0.30 C ATOM 595 CG2 VAL A 160 -0.870 4.333 -1.956 1.00 0.29 C ATOM 0 H VAL A 160 -1.661 3.499 -4.446 1.00 0.30 H new ATOM 0 HA VAL A 160 -3.373 2.131 -2.510 1.00 0.28 H new ATOM 0 HB VAL A 160 -2.771 4.202 -0.994 1.00 0.28 H new ATOM 0 HG11 VAL A 160 -1.180 2.763 0.225 1.00 0.30 H new ATOM 0 HG12 VAL A 160 -2.607 1.853 -0.328 1.00 0.30 H new ATOM 0 HG13 VAL A 160 -1.062 1.699 -1.198 1.00 0.30 H new ATOM 0 HG21 VAL A 160 -0.350 4.680 -1.063 1.00 0.29 H new ATOM 0 HG22 VAL A 160 -0.205 3.694 -2.538 1.00 0.29 H new ATOM 0 HG23 VAL A 160 -1.168 5.191 -2.559 1.00 0.29 H new ATOM 605 N TYR A 161 -4.898 4.281 -2.463 1.00 0.32 N ATOM 606 CA TYR A 161 -6.003 5.136 -2.858 1.00 0.36 C ATOM 607 C TYR A 161 -6.105 6.361 -1.970 1.00 0.34 C ATOM 608 O TYR A 161 -6.538 6.259 -0.824 1.00 0.42 O ATOM 609 CB TYR A 161 -7.291 4.360 -2.745 1.00 0.49 C ATOM 610 CG TYR A 161 -7.470 3.268 -3.769 1.00 0.44 C ATOM 611 CD1 TYR A 161 -7.950 3.572 -5.036 1.00 0.65 C ATOM 612 CD2 TYR A 161 -7.142 1.949 -3.488 1.00 0.38 C ATOM 613 CE1 TYR A 161 -8.100 2.596 -5.996 1.00 0.74 C ATOM 614 CE2 TYR A 161 -7.292 0.962 -4.445 1.00 0.49 C ATOM 615 CZ TYR A 161 -7.828 1.223 -5.613 1.00 0.63 C ATOM 616 OH TYR A 161 -7.903 0.316 -6.654 1.00 0.82 O ATOM 0 H TYR A 161 -4.994 3.868 -1.535 1.00 0.32 H new ATOM 0 HA TYR A 161 -5.827 5.461 -3.883 1.00 0.36 H new ATOM 0 HB2 TYR A 161 -7.344 3.917 -1.751 1.00 0.49 H new ATOM 0 HB3 TYR A 161 -8.125 5.056 -2.829 1.00 0.49 H new ATOM 0 HD1 TYR A 161 -8.211 4.593 -5.273 1.00 0.65 H new ATOM 0 HD2 TYR A 161 -6.765 1.690 -2.510 1.00 0.38 H new ATOM 0 HE1 TYR A 161 -8.410 2.844 -7.000 1.00 0.74 H new ATOM 0 HE2 TYR A 161 -6.961 -0.043 -4.226 1.00 0.49 H new ATOM 0 HH TYR A 161 -7.707 -0.584 -6.319 1.00 0.82 H new ATOM 626 N TYR A 162 -5.700 7.514 -2.481 1.00 0.31 N ATOM 627 CA TYR A 162 -5.769 8.738 -1.700 1.00 0.27 C ATOM 628 C TYR A 162 -5.526 9.961 -2.571 1.00 0.31 C ATOM 629 O TYR A 162 -5.094 9.839 -3.675 1.00 0.55 O ATOM 630 CB TYR A 162 -4.767 8.684 -0.565 1.00 0.39 C ATOM 631 CG TYR A 162 -3.346 8.639 -1.046 1.00 0.46 C ATOM 632 CD1 TYR A 162 -2.737 7.436 -1.328 1.00 0.77 C ATOM 633 CD2 TYR A 162 -2.609 9.798 -1.197 1.00 0.89 C ATOM 634 CE1 TYR A 162 -1.438 7.382 -1.750 1.00 1.16 C ATOM 635 CE2 TYR A 162 -1.303 9.750 -1.619 1.00 1.29 C ATOM 636 CZ TYR A 162 -0.746 8.571 -1.959 1.00 1.35 C ATOM 637 OH TYR A 162 0.573 8.489 -2.308 1.00 1.82 O ATOM 0 H TYR A 162 -5.324 7.627 -3.423 1.00 0.31 H new ATOM 0 HA TYR A 162 -6.773 8.823 -1.283 1.00 0.27 H new ATOM 0 HB2 TYR A 162 -4.902 9.556 0.075 1.00 0.39 H new ATOM 0 HB3 TYR A 162 -4.966 7.805 0.048 1.00 0.39 H new ATOM 0 HD1 TYR A 162 -3.296 6.519 -1.214 1.00 0.77 H new ATOM 0 HD2 TYR A 162 -3.065 10.753 -0.981 1.00 0.89 H new ATOM 0 HE1 TYR A 162 -0.956 6.430 -1.919 1.00 1.16 H new ATOM 0 HE2 TYR A 162 -0.722 10.658 -1.678 1.00 1.29 H new ATOM 0 HH TYR A 162 0.951 9.391 -2.371 1.00 1.82 H new ATOM 647 N ARG A 163 -5.776 11.134 -2.050 1.00 0.26 N ATOM 648 CA ARG A 163 -5.581 12.378 -2.787 1.00 0.32 C ATOM 649 C ARG A 163 -4.234 12.958 -2.368 1.00 0.36 C ATOM 650 O ARG A 163 -3.654 12.465 -1.417 1.00 0.41 O ATOM 651 CB ARG A 163 -6.705 13.353 -2.456 1.00 0.41 C ATOM 652 CG ARG A 163 -6.701 13.754 -0.998 1.00 0.75 C ATOM 653 CD ARG A 163 -7.672 14.882 -0.725 1.00 1.28 C ATOM 654 NE ARG A 163 -7.638 15.284 0.684 1.00 1.93 N ATOM 655 CZ ARG A 163 -8.072 16.457 1.147 1.00 2.58 C ATOM 656 NH1 ARG A 163 -8.689 17.310 0.340 1.00 2.91 N ATOM 657 NH2 ARG A 163 -7.915 16.760 2.430 1.00 3.26 N ATOM 0 H ARG A 163 -6.122 11.265 -1.100 1.00 0.26 H new ATOM 0 HA ARG A 163 -5.594 12.198 -3.862 1.00 0.32 H new ATOM 0 HB2 ARG A 163 -6.606 14.244 -3.076 1.00 0.41 H new ATOM 0 HB3 ARG A 163 -7.664 12.897 -2.703 1.00 0.41 H new ATOM 0 HG2 ARG A 163 -6.962 12.893 -0.383 1.00 0.75 H new ATOM 0 HG3 ARG A 163 -5.696 14.061 -0.708 1.00 0.75 H new ATOM 0 HD2 ARG A 163 -7.427 15.737 -1.355 1.00 1.28 H new ATOM 0 HD3 ARG A 163 -8.681 14.569 -0.992 1.00 1.28 H new ATOM 0 HE ARG A 163 -7.256 14.620 1.358 1.00 1.93 H new ATOM 0 HH11 ARG A 163 -8.834 17.070 -0.641 1.00 2.91 H new ATOM 0 HH12 ARG A 163 -9.019 18.206 0.700 1.00 2.91 H new ATOM 0 HH21 ARG A 163 -7.463 16.096 3.059 1.00 3.26 H new ATOM 0 HH22 ARG A 163 -8.246 17.656 2.787 1.00 3.26 H new ATOM 671 N PRO A 164 -3.714 14.023 -3.000 1.00 0.45 N ATOM 672 CA PRO A 164 -2.306 14.380 -2.842 1.00 0.51 C ATOM 673 C PRO A 164 -2.058 15.254 -1.631 1.00 0.51 C ATOM 674 O PRO A 164 -2.697 16.295 -1.425 1.00 0.57 O ATOM 675 CB PRO A 164 -2.013 15.222 -4.093 1.00 0.65 C ATOM 676 CG PRO A 164 -3.240 15.130 -4.941 1.00 0.80 C ATOM 677 CD PRO A 164 -4.365 14.888 -3.978 1.00 0.53 C ATOM 0 HA PRO A 164 -1.690 13.489 -2.718 1.00 0.51 H new ATOM 0 HB2 PRO A 164 -1.798 16.257 -3.827 1.00 0.65 H new ATOM 0 HB3 PRO A 164 -1.141 14.842 -4.625 1.00 0.65 H new ATOM 0 HG2 PRO A 164 -3.397 16.048 -5.508 1.00 0.80 H new ATOM 0 HG3 PRO A 164 -3.159 14.319 -5.664 1.00 0.80 H new ATOM 0 HD2 PRO A 164 -4.731 15.812 -3.531 1.00 0.53 H new ATOM 0 HD3 PRO A 164 -5.218 14.404 -4.454 1.00 0.53 H new ATOM 685 N VAL A 165 -1.115 14.794 -0.832 1.00 0.52 N ATOM 686 CA VAL A 165 -0.818 15.386 0.447 1.00 0.50 C ATOM 687 C VAL A 165 0.456 16.205 0.398 1.00 0.49 C ATOM 688 O VAL A 165 1.452 15.811 -0.206 1.00 0.47 O ATOM 689 CB VAL A 165 -0.661 14.300 1.523 1.00 0.50 C ATOM 690 CG1 VAL A 165 0.448 13.335 1.130 1.00 1.31 C ATOM 691 CG2 VAL A 165 -0.392 14.919 2.885 1.00 1.15 C ATOM 0 H VAL A 165 -0.530 13.990 -1.060 1.00 0.52 H new ATOM 0 HA VAL A 165 -1.653 16.040 0.697 1.00 0.50 H new ATOM 0 HB VAL A 165 -1.595 13.743 1.596 1.00 0.50 H new ATOM 0 HG11 VAL A 165 0.553 12.569 1.898 1.00 1.31 H new ATOM 0 HG12 VAL A 165 0.200 12.864 0.179 1.00 1.31 H new ATOM 0 HG13 VAL A 165 1.387 13.880 1.031 1.00 1.31 H new ATOM 0 HG21 VAL A 165 -0.285 14.129 3.629 1.00 1.15 H new ATOM 0 HG22 VAL A 165 0.526 15.505 2.843 1.00 1.15 H new ATOM 0 HG23 VAL A 165 -1.224 15.567 3.161 1.00 1.15 H new ATOM 701 N ASP A 166 0.388 17.354 1.035 1.00 0.62 N ATOM 702 CA ASP A 166 1.535 18.211 1.246 1.00 0.67 C ATOM 703 C ASP A 166 1.064 19.405 2.069 1.00 0.90 C ATOM 704 O ASP A 166 1.447 20.554 1.867 1.00 1.48 O ATOM 705 CB ASP A 166 2.170 18.601 -0.101 1.00 0.62 C ATOM 706 CG ASP A 166 3.280 19.630 0.042 1.00 0.70 C ATOM 707 OD1 ASP A 166 4.269 19.355 0.754 1.00 0.90 O ATOM 708 OD2 ASP A 166 3.181 20.707 -0.584 1.00 1.07 O ATOM 0 H ASP A 166 -0.478 17.725 1.427 1.00 0.62 H new ATOM 0 HA ASP A 166 2.325 17.702 1.798 1.00 0.67 H new ATOM 0 HB2 ASP A 166 2.570 17.707 -0.580 1.00 0.62 H new ATOM 0 HB3 ASP A 166 1.397 18.997 -0.760 1.00 0.62 H new ATOM 713 N GLN A 167 0.212 19.085 3.036 1.00 0.75 N ATOM 714 CA GLN A 167 -0.460 20.088 3.846 1.00 0.96 C ATOM 715 C GLN A 167 -0.735 19.560 5.254 1.00 0.87 C ATOM 716 O GLN A 167 -1.592 20.081 5.967 1.00 1.10 O ATOM 717 CB GLN A 167 -1.769 20.490 3.163 1.00 1.34 C ATOM 718 CG GLN A 167 -2.617 19.295 2.750 1.00 1.50 C ATOM 719 CD GLN A 167 -3.845 19.689 1.958 1.00 2.16 C ATOM 720 OE1 GLN A 167 -4.407 20.763 2.152 1.00 2.71 O ATOM 721 NE2 GLN A 167 -4.259 18.824 1.045 1.00 2.72 N ATOM 0 H GLN A 167 -0.031 18.124 3.278 1.00 0.75 H new ATOM 0 HA GLN A 167 0.187 20.960 3.939 1.00 0.96 H new ATOM 0 HB2 GLN A 167 -2.346 21.121 3.839 1.00 1.34 H new ATOM 0 HB3 GLN A 167 -1.543 21.090 2.281 1.00 1.34 H new ATOM 0 HG2 GLN A 167 -2.010 18.614 2.154 1.00 1.50 H new ATOM 0 HG3 GLN A 167 -2.926 18.750 3.642 1.00 1.50 H new ATOM 0 HE21 GLN A 167 -3.763 17.942 0.916 1.00 2.72 H new ATOM 0 HE22 GLN A 167 -5.074 19.040 0.471 1.00 2.72 H new ATOM 730 N TYR A 168 -0.004 18.521 5.645 1.00 0.82 N ATOM 731 CA TYR A 168 -0.131 17.939 6.978 1.00 0.92 C ATOM 732 C TYR A 168 1.254 17.751 7.588 1.00 0.95 C ATOM 733 O TYR A 168 2.261 18.081 6.958 1.00 1.61 O ATOM 734 CB TYR A 168 -0.843 16.582 6.928 1.00 1.02 C ATOM 735 CG TYR A 168 -2.257 16.619 6.388 1.00 1.24 C ATOM 736 CD1 TYR A 168 -3.235 17.405 6.985 1.00 1.62 C ATOM 737 CD2 TYR A 168 -2.618 15.846 5.293 1.00 2.02 C ATOM 738 CE1 TYR A 168 -4.531 17.417 6.502 1.00 2.11 C ATOM 739 CE2 TYR A 168 -3.908 15.858 4.803 1.00 2.63 C ATOM 740 CZ TYR A 168 -4.860 16.642 5.411 1.00 2.50 C ATOM 741 OH TYR A 168 -6.148 16.641 4.934 1.00 3.21 O ATOM 0 H TYR A 168 0.688 18.061 5.053 1.00 0.82 H new ATOM 0 HA TYR A 168 -0.724 18.620 7.588 1.00 0.92 H new ATOM 0 HB2 TYR A 168 -0.253 15.902 6.313 1.00 1.02 H new ATOM 0 HB3 TYR A 168 -0.866 16.164 7.934 1.00 1.02 H new ATOM 0 HD1 TYR A 168 -2.979 18.015 7.839 1.00 1.62 H new ATOM 0 HD2 TYR A 168 -1.876 15.224 4.816 1.00 2.02 H new ATOM 0 HE1 TYR A 168 -5.282 18.031 6.978 1.00 2.11 H new ATOM 0 HE2 TYR A 168 -4.169 15.255 3.946 1.00 2.63 H new ATOM 0 HH TYR A 168 -6.563 17.511 5.111 1.00 3.21 H new ATOM 751 N SER A 169 1.306 17.232 8.806 1.00 1.17 N ATOM 752 CA SER A 169 2.577 16.893 9.426 1.00 1.17 C ATOM 753 C SER A 169 2.658 15.391 9.694 1.00 1.05 C ATOM 754 O SER A 169 3.678 14.755 9.422 1.00 1.12 O ATOM 755 CB SER A 169 2.775 17.686 10.720 1.00 1.40 C ATOM 756 OG SER A 169 1.707 17.473 11.627 1.00 1.94 O ATOM 0 H SER A 169 0.487 17.037 9.382 1.00 1.17 H new ATOM 0 HA SER A 169 3.378 17.162 8.737 1.00 1.17 H new ATOM 0 HB2 SER A 169 3.715 17.393 11.188 1.00 1.40 H new ATOM 0 HB3 SER A 169 2.851 18.748 10.489 1.00 1.40 H new ATOM 0 HG SER A 169 1.863 17.991 12.444 1.00 1.94 H new ATOM 762 N ASN A 170 1.574 14.822 10.225 1.00 0.98 N ATOM 763 CA ASN A 170 1.504 13.381 10.453 1.00 0.89 C ATOM 764 C ASN A 170 1.417 12.634 9.130 1.00 0.68 C ATOM 765 O ASN A 170 0.493 12.842 8.341 1.00 0.75 O ATOM 766 CB ASN A 170 0.317 12.999 11.366 1.00 1.08 C ATOM 767 CG ASN A 170 -0.963 13.785 11.104 1.00 1.74 C ATOM 768 OD1 ASN A 170 -1.675 14.142 12.039 1.00 2.20 O ATOM 769 ND2 ASN A 170 -1.288 14.028 9.844 1.00 2.25 N ATOM 0 H ASN A 170 0.738 15.335 10.503 1.00 0.98 H new ATOM 0 HA ASN A 170 2.420 13.088 10.965 1.00 0.89 H new ATOM 0 HB2 ASN A 170 0.107 11.937 11.242 1.00 1.08 H new ATOM 0 HB3 ASN A 170 0.612 13.146 12.405 1.00 1.08 H new ATOM 0 HD21 ASN A 170 -2.152 14.525 9.627 1.00 2.25 H new ATOM 0 HD22 ASN A 170 -0.675 13.718 9.090 1.00 2.25 H new ATOM 776 N GLN A 171 2.390 11.779 8.873 1.00 0.63 N ATOM 777 CA GLN A 171 2.400 11.028 7.631 1.00 0.56 C ATOM 778 C GLN A 171 1.622 9.730 7.793 1.00 0.47 C ATOM 779 O GLN A 171 1.027 9.237 6.848 1.00 0.60 O ATOM 780 CB GLN A 171 3.834 10.748 7.147 1.00 0.86 C ATOM 781 CG GLN A 171 4.571 9.641 7.895 1.00 0.71 C ATOM 782 CD GLN A 171 4.959 10.014 9.315 1.00 1.11 C ATOM 783 OE1 GLN A 171 4.108 9.682 10.271 1.00 1.63 O flip ATOM 784 NE2 GLN A 171 6.024 10.578 9.553 1.00 1.41 N flip ATOM 0 H GLN A 171 3.173 11.589 9.498 1.00 0.63 H new ATOM 0 HA GLN A 171 1.913 11.637 6.869 1.00 0.56 H new ATOM 0 HB2 GLN A 171 3.798 10.487 6.089 1.00 0.86 H new ATOM 0 HB3 GLN A 171 4.414 11.667 7.229 1.00 0.86 H new ATOM 0 HG2 GLN A 171 3.941 8.752 7.922 1.00 0.71 H new ATOM 0 HG3 GLN A 171 5.471 9.377 7.340 1.00 0.71 H new ATOM 0 HE21 GLN A 171 6.656 10.819 8.789 1.00 1.41 H new ATOM 0 HE22 GLN A 171 6.277 10.806 10.515 1.00 1.41 H new ATOM 793 N ASN A 172 1.578 9.217 9.015 1.00 0.47 N ATOM 794 CA ASN A 172 0.971 7.917 9.274 1.00 0.49 C ATOM 795 C ASN A 172 -0.545 8.024 9.239 1.00 0.42 C ATOM 796 O ASN A 172 -1.225 7.146 8.723 1.00 0.52 O ATOM 797 CB ASN A 172 1.431 7.345 10.625 1.00 0.65 C ATOM 798 CG ASN A 172 1.071 8.236 11.802 1.00 1.19 C ATOM 799 OD1 ASN A 172 1.069 9.466 11.690 1.00 1.88 O ATOM 800 ND2 ASN A 172 0.749 7.625 12.929 1.00 1.56 N ATOM 0 H ASN A 172 1.955 9.680 9.842 1.00 0.47 H new ATOM 0 HA ASN A 172 1.297 7.234 8.489 1.00 0.49 H new ATOM 0 HB2 ASN A 172 0.981 6.363 10.769 1.00 0.65 H new ATOM 0 HB3 ASN A 172 2.511 7.201 10.603 1.00 0.65 H new ATOM 0 HD21 ASN A 172 0.486 8.172 13.749 1.00 1.56 H new ATOM 0 HD22 ASN A 172 0.764 6.606 12.979 1.00 1.56 H new ATOM 807 N SER A 173 -1.064 9.123 9.766 1.00 0.41 N ATOM 808 CA SER A 173 -2.495 9.354 9.797 1.00 0.46 C ATOM 809 C SER A 173 -3.066 9.349 8.381 1.00 0.37 C ATOM 810 O SER A 173 -3.967 8.575 8.066 1.00 0.36 O ATOM 811 CB SER A 173 -2.786 10.684 10.494 1.00 0.60 C ATOM 812 OG SER A 173 -4.180 10.914 10.629 1.00 0.74 O ATOM 0 H SER A 173 -0.509 9.872 10.180 1.00 0.41 H new ATOM 0 HA SER A 173 -2.975 8.551 10.357 1.00 0.46 H new ATOM 0 HB2 SER A 173 -2.320 10.688 11.479 1.00 0.60 H new ATOM 0 HB3 SER A 173 -2.337 11.498 9.926 1.00 0.60 H new ATOM 0 HG SER A 173 -4.328 11.771 11.080 1.00 0.74 H new ATOM 818 N PHE A 174 -2.512 10.204 7.532 1.00 0.33 N ATOM 819 CA PHE A 174 -2.976 10.343 6.157 1.00 0.32 C ATOM 820 C PHE A 174 -2.733 9.065 5.365 1.00 0.24 C ATOM 821 O PHE A 174 -3.590 8.614 4.605 1.00 0.30 O ATOM 822 CB PHE A 174 -2.251 11.520 5.496 1.00 0.40 C ATOM 823 CG PHE A 174 -2.451 11.615 4.011 1.00 0.61 C ATOM 824 CD1 PHE A 174 -1.641 10.908 3.138 1.00 0.99 C ATOM 825 CD2 PHE A 174 -3.461 12.408 3.490 1.00 1.12 C ATOM 826 CE1 PHE A 174 -1.836 10.993 1.774 1.00 1.29 C ATOM 827 CE2 PHE A 174 -3.660 12.493 2.133 1.00 1.41 C ATOM 828 CZ PHE A 174 -2.792 11.793 1.266 1.00 1.33 C ATOM 0 H PHE A 174 -1.734 10.817 7.774 1.00 0.33 H new ATOM 0 HA PHE A 174 -4.050 10.531 6.166 1.00 0.32 H new ATOM 0 HB2 PHE A 174 -2.593 12.447 5.957 1.00 0.40 H new ATOM 0 HB3 PHE A 174 -1.184 11.436 5.702 1.00 0.40 H new ATOM 0 HD1 PHE A 174 -0.850 10.285 3.528 1.00 0.99 H new ATOM 0 HD2 PHE A 174 -4.100 12.966 4.159 1.00 1.12 H new ATOM 0 HE1 PHE A 174 -1.215 10.412 1.108 1.00 1.29 H new ATOM 0 HE2 PHE A 174 -4.469 13.087 1.735 1.00 1.41 H new ATOM 0 HZ PHE A 174 -2.895 11.900 0.196 1.00 1.33 H new ATOM 838 N VAL A 175 -1.564 8.483 5.557 1.00 0.20 N ATOM 839 CA VAL A 175 -1.138 7.351 4.758 1.00 0.20 C ATOM 840 C VAL A 175 -1.848 6.063 5.147 1.00 0.22 C ATOM 841 O VAL A 175 -2.567 5.492 4.342 1.00 0.25 O ATOM 842 CB VAL A 175 0.373 7.167 4.864 1.00 0.28 C ATOM 843 CG1 VAL A 175 0.766 5.767 4.469 1.00 0.33 C ATOM 844 CG2 VAL A 175 1.079 8.189 3.996 1.00 0.41 C ATOM 0 H VAL A 175 -0.890 8.778 6.263 1.00 0.20 H new ATOM 0 HA VAL A 175 -1.409 7.571 3.725 1.00 0.20 H new ATOM 0 HB VAL A 175 0.675 7.321 5.900 1.00 0.28 H new ATOM 0 HG11 VAL A 175 1.847 5.656 4.551 1.00 0.33 H new ATOM 0 HG12 VAL A 175 0.276 5.052 5.130 1.00 0.33 H new ATOM 0 HG13 VAL A 175 0.459 5.580 3.440 1.00 0.33 H new ATOM 0 HG21 VAL A 175 2.157 8.052 4.076 1.00 0.41 H new ATOM 0 HG22 VAL A 175 0.773 8.058 2.958 1.00 0.41 H new ATOM 0 HG23 VAL A 175 0.815 9.193 4.328 1.00 0.41 H new ATOM 854 N HIS A 176 -1.601 5.574 6.355 1.00 0.26 N ATOM 855 CA HIS A 176 -2.375 4.450 6.896 1.00 0.33 C ATOM 856 C HIS A 176 -3.896 4.590 6.625 1.00 0.30 C ATOM 857 O HIS A 176 -4.604 3.589 6.534 1.00 0.32 O ATOM 858 CB HIS A 176 -2.112 4.296 8.395 1.00 0.46 C ATOM 859 CG HIS A 176 -2.421 2.928 8.916 1.00 0.73 C ATOM 860 ND1 HIS A 176 -1.500 1.900 8.930 1.00 0.97 N ATOM 861 CD2 HIS A 176 -3.561 2.415 9.429 1.00 1.40 C ATOM 862 CE1 HIS A 176 -2.065 0.815 9.426 1.00 1.32 C ATOM 863 NE2 HIS A 176 -3.314 1.104 9.738 1.00 1.69 N ATOM 0 H HIS A 176 -0.878 5.930 6.980 1.00 0.26 H new ATOM 0 HA HIS A 176 -2.040 3.552 6.377 1.00 0.33 H new ATOM 0 HB2 HIS A 176 -1.066 4.526 8.598 1.00 0.46 H new ATOM 0 HB3 HIS A 176 -2.711 5.027 8.938 1.00 0.46 H new ATOM 0 HD1 HIS A 176 -0.535 1.968 8.608 1.00 0.97 H new ATOM 0 HD2 HIS A 176 -4.494 2.941 9.569 1.00 1.40 H new ATOM 0 HE1 HIS A 176 -1.587 -0.145 9.554 1.00 1.32 H new ATOM 872 N ASP A 177 -4.397 5.824 6.513 1.00 0.30 N ATOM 873 CA ASP A 177 -5.782 6.072 6.060 1.00 0.33 C ATOM 874 C ASP A 177 -5.975 5.659 4.608 1.00 0.28 C ATOM 875 O ASP A 177 -6.928 4.957 4.289 1.00 0.29 O ATOM 876 CB ASP A 177 -6.128 7.553 6.249 1.00 0.41 C ATOM 877 CG ASP A 177 -7.483 7.930 5.686 1.00 0.60 C ATOM 878 OD1 ASP A 177 -8.499 7.671 6.361 1.00 0.81 O ATOM 879 OD2 ASP A 177 -7.535 8.468 4.557 1.00 0.84 O ATOM 0 H ASP A 177 -3.870 6.670 6.728 1.00 0.30 H new ATOM 0 HA ASP A 177 -6.456 5.464 6.664 1.00 0.33 H new ATOM 0 HB2 ASP A 177 -6.105 7.791 7.312 1.00 0.41 H new ATOM 0 HB3 ASP A 177 -5.361 8.162 5.770 1.00 0.41 H new ATOM 884 N CYS A 178 -5.042 6.044 3.755 1.00 0.26 N ATOM 885 CA CYS A 178 -5.098 5.741 2.334 1.00 0.27 C ATOM 886 C CYS A 178 -5.093 4.233 2.119 1.00 0.24 C ATOM 887 O CYS A 178 -5.632 3.722 1.141 1.00 0.29 O ATOM 888 CB CYS A 178 -3.895 6.363 1.626 1.00 0.34 C ATOM 889 SG CYS A 178 -2.522 5.201 1.330 1.00 0.79 S ATOM 0 H CYS A 178 -4.218 6.579 4.030 1.00 0.26 H new ATOM 0 HA CYS A 178 -6.017 6.156 1.921 1.00 0.27 H new ATOM 0 HB2 CYS A 178 -4.222 6.773 0.671 1.00 0.34 H new ATOM 0 HB3 CYS A 178 -3.528 7.198 2.223 1.00 0.34 H new ATOM 894 N VAL A 179 -4.462 3.521 3.039 1.00 0.23 N ATOM 895 CA VAL A 179 -4.446 2.079 2.988 1.00 0.22 C ATOM 896 C VAL A 179 -5.698 1.514 3.647 1.00 0.22 C ATOM 897 O VAL A 179 -6.175 0.452 3.273 1.00 0.22 O ATOM 898 CB VAL A 179 -3.185 1.509 3.641 1.00 0.21 C ATOM 899 CG1 VAL A 179 -2.050 2.503 3.538 1.00 0.21 C ATOM 900 CG2 VAL A 179 -3.432 1.085 5.072 1.00 0.24 C ATOM 0 H VAL A 179 -3.956 3.924 3.828 1.00 0.23 H new ATOM 0 HA VAL A 179 -4.436 1.779 1.940 1.00 0.22 H new ATOM 0 HB VAL A 179 -2.900 0.608 3.098 1.00 0.21 H new ATOM 0 HG11 VAL A 179 -1.158 2.087 4.006 1.00 0.21 H new ATOM 0 HG12 VAL A 179 -1.845 2.713 2.488 1.00 0.21 H new ATOM 0 HG13 VAL A 179 -2.328 3.427 4.045 1.00 0.21 H new ATOM 0 HG21 VAL A 179 -2.511 0.686 5.497 1.00 0.24 H new ATOM 0 HG22 VAL A 179 -3.758 1.946 5.655 1.00 0.24 H new ATOM 0 HG23 VAL A 179 -4.205 0.317 5.096 1.00 0.24 H new ATOM 910 N ASN A 180 -6.261 2.254 4.599 1.00 0.25 N ATOM 911 CA ASN A 180 -7.575 1.919 5.144 1.00 0.27 C ATOM 912 C ASN A 180 -8.606 2.014 4.037 1.00 0.27 C ATOM 913 O ASN A 180 -9.777 1.713 4.222 1.00 0.30 O ATOM 914 CB ASN A 180 -7.957 2.859 6.288 1.00 0.31 C ATOM 915 CG ASN A 180 -7.761 2.229 7.652 1.00 0.77 C ATOM 916 OD1 ASN A 180 -8.675 1.619 8.200 1.00 1.41 O ATOM 917 ND2 ASN A 180 -6.571 2.373 8.209 1.00 1.30 N ATOM 0 H ASN A 180 -5.832 3.084 5.007 1.00 0.25 H new ATOM 0 HA ASN A 180 -7.540 0.905 5.541 1.00 0.27 H new ATOM 0 HB2 ASN A 180 -7.358 3.767 6.222 1.00 0.31 H new ATOM 0 HB3 ASN A 180 -9.000 3.156 6.176 1.00 0.31 H new ATOM 0 HD21 ASN A 180 -6.386 1.970 9.127 1.00 1.30 H new ATOM 0 HD22 ASN A 180 -5.838 2.887 7.720 1.00 1.30 H new ATOM 924 N ILE A 181 -8.148 2.525 2.910 1.00 0.25 N ATOM 925 CA ILE A 181 -8.884 2.490 1.667 1.00 0.29 C ATOM 926 C ILE A 181 -8.434 1.300 0.803 1.00 0.27 C ATOM 927 O ILE A 181 -9.249 0.534 0.312 1.00 0.36 O ATOM 928 CB ILE A 181 -8.639 3.784 0.878 1.00 0.35 C ATOM 929 CG1 ILE A 181 -8.333 4.931 1.811 1.00 0.49 C ATOM 930 CG2 ILE A 181 -9.845 4.151 0.083 1.00 0.40 C ATOM 931 CD1 ILE A 181 -9.534 5.399 2.603 1.00 1.14 C ATOM 0 H ILE A 181 -7.240 2.983 2.834 1.00 0.25 H new ATOM 0 HA ILE A 181 -9.943 2.387 1.904 1.00 0.29 H new ATOM 0 HB ILE A 181 -7.792 3.604 0.216 1.00 0.35 H new ATOM 0 HG12 ILE A 181 -7.547 4.627 2.503 1.00 0.49 H new ATOM 0 HG13 ILE A 181 -7.942 5.767 1.231 1.00 0.49 H new ATOM 0 HG21 ILE A 181 -9.651 5.071 -0.469 1.00 0.40 H new ATOM 0 HG22 ILE A 181 -10.076 3.349 -0.618 1.00 0.40 H new ATOM 0 HG23 ILE A 181 -10.691 4.302 0.754 1.00 0.40 H new ATOM 0 HD11 ILE A 181 -9.242 6.224 3.252 1.00 1.14 H new ATOM 0 HD12 ILE A 181 -10.313 5.734 1.918 1.00 1.14 H new ATOM 0 HD13 ILE A 181 -9.913 4.576 3.210 1.00 1.14 H new ATOM 943 N THR A 182 -7.119 1.131 0.692 1.00 0.20 N ATOM 944 CA THR A 182 -6.509 0.223 -0.282 1.00 0.20 C ATOM 945 C THR A 182 -6.636 -1.213 0.119 1.00 0.24 C ATOM 946 O THR A 182 -7.067 -2.072 -0.659 1.00 0.26 O ATOM 947 CB THR A 182 -5.013 0.496 -0.461 1.00 0.20 C ATOM 948 OG1 THR A 182 -4.824 1.775 -1.015 1.00 0.22 O ATOM 949 CG2 THR A 182 -4.392 -0.530 -1.390 1.00 0.26 C ATOM 0 H THR A 182 -6.442 1.621 1.276 1.00 0.20 H new ATOM 0 HA THR A 182 -7.050 0.407 -1.210 1.00 0.20 H new ATOM 0 HB THR A 182 -4.536 0.436 0.517 1.00 0.20 H new ATOM 0 HG1 THR A 182 -4.981 2.456 -0.328 1.00 0.22 H new ATOM 0 HG21 THR A 182 -3.329 -0.320 -1.505 1.00 0.26 H new ATOM 0 HG22 THR A 182 -4.521 -1.527 -0.969 1.00 0.26 H new ATOM 0 HG23 THR A 182 -4.879 -0.481 -2.364 1.00 0.26 H new ATOM 957 N VAL A 183 -6.247 -1.451 1.342 1.00 0.28 N ATOM 958 CA VAL A 183 -6.220 -2.771 1.900 1.00 0.36 C ATOM 959 C VAL A 183 -7.642 -3.261 2.066 1.00 0.44 C ATOM 960 O VAL A 183 -7.902 -4.350 2.548 1.00 0.74 O ATOM 961 CB VAL A 183 -5.437 -2.773 3.227 1.00 0.34 C ATOM 962 CG1 VAL A 183 -4.324 -1.756 3.155 1.00 0.26 C ATOM 963 CG2 VAL A 183 -6.323 -2.524 4.438 1.00 0.40 C ATOM 0 H VAL A 183 -5.936 -0.723 1.985 1.00 0.28 H new ATOM 0 HA VAL A 183 -5.701 -3.457 1.230 1.00 0.36 H new ATOM 0 HB VAL A 183 -5.017 -3.770 3.361 1.00 0.34 H new ATOM 0 HG11 VAL A 183 -3.769 -1.757 4.093 1.00 0.26 H new ATOM 0 HG12 VAL A 183 -3.651 -2.010 2.336 1.00 0.26 H new ATOM 0 HG13 VAL A 183 -4.746 -0.766 2.984 1.00 0.26 H new ATOM 0 HG21 VAL A 183 -5.715 -2.537 5.343 1.00 0.40 H new ATOM 0 HG22 VAL A 183 -6.808 -1.553 4.341 1.00 0.40 H new ATOM 0 HG23 VAL A 183 -7.082 -3.304 4.500 1.00 0.40 H new ATOM 973 N LYS A 184 -8.561 -2.394 1.693 1.00 0.32 N ATOM 974 CA LYS A 184 -9.959 -2.716 1.678 1.00 0.34 C ATOM 975 C LYS A 184 -10.329 -3.245 0.308 1.00 0.35 C ATOM 976 O LYS A 184 -10.644 -4.415 0.135 1.00 0.37 O ATOM 977 CB LYS A 184 -10.779 -1.470 2.001 1.00 0.38 C ATOM 978 CG LYS A 184 -10.482 -0.875 3.367 1.00 0.43 C ATOM 979 CD LYS A 184 -9.637 -1.795 4.213 1.00 0.76 C ATOM 980 CE LYS A 184 -9.642 -1.441 5.685 1.00 0.60 C ATOM 981 NZ LYS A 184 -10.984 -1.617 6.302 1.00 1.00 N ATOM 0 H LYS A 184 -8.350 -1.443 1.391 1.00 0.32 H new ATOM 0 HA LYS A 184 -10.171 -3.477 2.429 1.00 0.34 H new ATOM 0 HB2 LYS A 184 -10.590 -0.715 1.238 1.00 0.38 H new ATOM 0 HB3 LYS A 184 -11.839 -1.720 1.947 1.00 0.38 H new ATOM 0 HG2 LYS A 184 -9.968 0.078 3.243 1.00 0.43 H new ATOM 0 HG3 LYS A 184 -11.419 -0.667 3.883 1.00 0.43 H new ATOM 0 HD2 LYS A 184 -9.996 -2.817 4.093 1.00 0.76 H new ATOM 0 HD3 LYS A 184 -8.611 -1.772 3.846 1.00 0.76 H new ATOM 0 HE2 LYS A 184 -8.919 -2.065 6.209 1.00 0.60 H new ATOM 0 HE3 LYS A 184 -9.320 -0.407 5.809 1.00 0.60 H new ATOM 0 HZ1 LYS A 184 -10.889 -1.647 7.337 1.00 1.00 H new ATOM 0 HZ2 LYS A 184 -11.597 -0.821 6.034 1.00 1.00 H new ATOM 0 HZ3 LYS A 184 -11.406 -2.507 5.967 1.00 1.00 H new ATOM 995 N GLN A 185 -10.214 -2.362 -0.665 1.00 0.38 N ATOM 996 CA GLN A 185 -10.474 -2.655 -2.072 1.00 0.49 C ATOM 997 C GLN A 185 -9.935 -4.024 -2.470 1.00 0.51 C ATOM 998 O GLN A 185 -10.562 -4.780 -3.209 1.00 0.64 O ATOM 999 CB GLN A 185 -9.764 -1.583 -2.887 1.00 0.60 C ATOM 1000 CG GLN A 185 -9.980 -0.201 -2.313 1.00 0.78 C ATOM 1001 CD GLN A 185 -11.193 0.489 -2.899 1.00 1.38 C ATOM 1002 OE1 GLN A 185 -11.395 0.315 -4.194 1.00 1.83 O flip ATOM 1003 NE2 GLN A 185 -11.909 1.213 -2.210 1.00 2.13 N flip ATOM 0 H GLN A 185 -9.931 -1.396 -0.501 1.00 0.38 H new ATOM 0 HA GLN A 185 -11.549 -2.662 -2.252 1.00 0.49 H new ATOM 0 HB2 GLN A 185 -8.696 -1.800 -2.919 1.00 0.60 H new ATOM 0 HB3 GLN A 185 -10.126 -1.610 -3.915 1.00 0.60 H new ATOM 0 HG2 GLN A 185 -10.095 -0.275 -1.232 1.00 0.78 H new ATOM 0 HG3 GLN A 185 -9.095 0.408 -2.498 1.00 0.78 H new ATOM 0 HE21 GLN A 185 -11.718 1.320 -1.214 1.00 2.13 H new ATOM 0 HE22 GLN A 185 -12.694 1.707 -2.635 1.00 2.13 H new ATOM 1012 N HIS A 186 -8.766 -4.322 -1.951 1.00 0.45 N ATOM 1013 CA HIS A 186 -8.015 -5.494 -2.335 1.00 0.54 C ATOM 1014 C HIS A 186 -8.197 -6.688 -1.394 1.00 0.69 C ATOM 1015 O HIS A 186 -7.628 -7.751 -1.620 1.00 1.31 O ATOM 1016 CB HIS A 186 -6.554 -5.113 -2.457 1.00 0.49 C ATOM 1017 CG HIS A 186 -6.197 -4.751 -3.865 1.00 0.53 C ATOM 1018 ND1 HIS A 186 -5.573 -5.618 -4.731 1.00 0.68 N ATOM 1019 CD2 HIS A 186 -6.425 -3.617 -4.571 1.00 0.54 C ATOM 1020 CE1 HIS A 186 -5.432 -5.039 -5.907 1.00 0.72 C ATOM 1021 NE2 HIS A 186 -5.942 -3.824 -5.839 1.00 0.66 N ATOM 0 H HIS A 186 -8.305 -3.751 -1.243 1.00 0.45 H new ATOM 0 HA HIS A 186 -8.405 -5.834 -3.294 1.00 0.54 H new ATOM 0 HB2 HIS A 186 -6.340 -4.271 -1.798 1.00 0.49 H new ATOM 0 HB3 HIS A 186 -5.931 -5.944 -2.125 1.00 0.49 H new ATOM 0 HD1 HIS A 186 -5.267 -6.563 -4.499 1.00 0.68 H new ATOM 0 HD2 HIS A 186 -6.898 -2.718 -4.204 1.00 0.54 H new ATOM 0 HE1 HIS A 186 -4.976 -5.484 -6.779 1.00 0.72 H new ATOM 1030 N THR A 187 -8.996 -6.517 -0.365 1.00 0.38 N ATOM 1031 CA THR A 187 -9.050 -7.472 0.729 1.00 0.45 C ATOM 1032 C THR A 187 -10.490 -7.671 1.229 1.00 0.54 C ATOM 1033 O THR A 187 -10.733 -8.262 2.280 1.00 0.83 O ATOM 1034 CB THR A 187 -8.133 -6.969 1.861 1.00 0.57 C ATOM 1035 OG1 THR A 187 -6.839 -6.680 1.323 1.00 1.63 O ATOM 1036 CG2 THR A 187 -7.988 -7.960 3.007 1.00 0.88 C ATOM 0 H THR A 187 -9.624 -5.720 -0.259 1.00 0.38 H new ATOM 0 HA THR A 187 -8.703 -8.444 0.380 1.00 0.45 H new ATOM 0 HB THR A 187 -8.600 -6.074 2.273 1.00 0.57 H new ATOM 0 HG1 THR A 187 -6.179 -6.665 2.048 1.00 1.63 H new ATOM 0 HG21 THR A 187 -7.330 -7.542 3.768 1.00 0.88 H new ATOM 0 HG22 THR A 187 -8.967 -8.158 3.443 1.00 0.88 H new ATOM 0 HG23 THR A 187 -7.563 -8.891 2.631 1.00 0.88 H new ATOM 1044 N VAL A 188 -11.457 -7.211 0.446 1.00 0.41 N ATOM 1045 CA VAL A 188 -12.857 -7.335 0.840 1.00 0.46 C ATOM 1046 C VAL A 188 -13.660 -8.120 -0.198 1.00 0.45 C ATOM 1047 O VAL A 188 -14.884 -8.207 -0.122 1.00 0.57 O ATOM 1048 CB VAL A 188 -13.479 -5.947 1.071 1.00 0.51 C ATOM 1049 CG1 VAL A 188 -12.596 -5.160 2.023 1.00 0.53 C ATOM 1050 CG2 VAL A 188 -13.656 -5.195 -0.241 1.00 0.49 C ATOM 0 H VAL A 188 -11.303 -6.755 -0.453 1.00 0.41 H new ATOM 0 HA VAL A 188 -12.892 -7.891 1.777 1.00 0.46 H new ATOM 0 HB VAL A 188 -14.469 -6.072 1.509 1.00 0.51 H new ATOM 0 HG11 VAL A 188 -13.030 -4.175 2.192 1.00 0.53 H new ATOM 0 HG12 VAL A 188 -12.521 -5.691 2.972 1.00 0.53 H new ATOM 0 HG13 VAL A 188 -11.602 -5.049 1.590 1.00 0.53 H new ATOM 0 HG21 VAL A 188 -14.098 -4.218 -0.044 1.00 0.49 H new ATOM 0 HG22 VAL A 188 -12.685 -5.064 -0.719 1.00 0.49 H new ATOM 0 HG23 VAL A 188 -14.312 -5.763 -0.900 1.00 0.49 H new ATOM 1060 N THR A 189 -12.931 -8.706 -1.138 1.00 0.38 N ATOM 1061 CA THR A 189 -13.478 -9.481 -2.252 1.00 0.41 C ATOM 1062 C THR A 189 -12.310 -9.947 -3.096 1.00 0.34 C ATOM 1063 O THR A 189 -12.200 -11.111 -3.472 1.00 0.35 O ATOM 1064 CB THR A 189 -14.443 -8.660 -3.149 1.00 0.50 C ATOM 1065 OG1 THR A 189 -15.730 -8.544 -2.531 1.00 0.64 O ATOM 1066 CG2 THR A 189 -14.588 -9.299 -4.526 1.00 0.51 C ATOM 0 H THR A 189 -11.912 -8.656 -1.150 1.00 0.38 H new ATOM 0 HA THR A 189 -14.055 -10.309 -1.840 1.00 0.41 H new ATOM 0 HB THR A 189 -14.016 -7.665 -3.271 1.00 0.50 H new ATOM 0 HG1 THR A 189 -15.642 -8.679 -1.564 1.00 0.64 H new ATOM 0 HG21 THR A 189 -15.269 -8.703 -5.134 1.00 0.51 H new ATOM 0 HG22 THR A 189 -13.613 -9.343 -5.011 1.00 0.51 H new ATOM 0 HG23 THR A 189 -14.985 -10.308 -4.419 1.00 0.51 H new ATOM 1074 N THR A 190 -11.433 -8.992 -3.356 1.00 0.32 N ATOM 1075 CA THR A 190 -10.178 -9.227 -4.038 1.00 0.34 C ATOM 1076 C THR A 190 -9.355 -10.307 -3.331 1.00 0.34 C ATOM 1077 O THR A 190 -8.535 -10.986 -3.949 1.00 0.42 O ATOM 1078 CB THR A 190 -9.403 -7.906 -4.100 1.00 0.39 C ATOM 1079 OG1 THR A 190 -10.155 -6.945 -4.854 1.00 0.54 O ATOM 1080 CG2 THR A 190 -8.030 -8.082 -4.716 1.00 0.55 C ATOM 0 H THR A 190 -11.578 -8.017 -3.094 1.00 0.32 H new ATOM 0 HA THR A 190 -10.377 -9.587 -5.047 1.00 0.34 H new ATOM 0 HB THR A 190 -9.261 -7.553 -3.078 1.00 0.39 H new ATOM 0 HG1 THR A 190 -10.420 -6.205 -4.269 1.00 0.54 H new ATOM 0 HG21 THR A 190 -7.516 -7.121 -4.740 1.00 0.55 H new ATOM 0 HG22 THR A 190 -7.452 -8.788 -4.120 1.00 0.55 H new ATOM 0 HG23 THR A 190 -8.133 -8.464 -5.732 1.00 0.55 H new ATOM 1088 N THR A 191 -9.588 -10.476 -2.037 1.00 0.34 N ATOM 1089 CA THR A 191 -8.932 -11.526 -1.288 1.00 0.47 C ATOM 1090 C THR A 191 -9.663 -12.853 -1.429 1.00 0.35 C ATOM 1091 O THR A 191 -9.053 -13.899 -1.611 1.00 0.34 O ATOM 1092 CB THR A 191 -8.850 -11.186 0.197 1.00 0.83 C ATOM 1093 OG1 THR A 191 -9.991 -10.407 0.572 1.00 1.66 O ATOM 1094 CG2 THR A 191 -7.562 -10.452 0.509 1.00 1.23 C ATOM 0 H THR A 191 -10.226 -9.898 -1.489 1.00 0.34 H new ATOM 0 HA THR A 191 -7.928 -11.613 -1.702 1.00 0.47 H new ATOM 0 HB THR A 191 -8.849 -12.109 0.776 1.00 0.83 H new ATOM 0 HG1 THR A 191 -10.116 -10.457 1.543 1.00 1.66 H new ATOM 0 HG21 THR A 191 -7.524 -10.219 1.573 1.00 1.23 H new ATOM 0 HG22 THR A 191 -6.712 -11.081 0.245 1.00 1.23 H new ATOM 0 HG23 THR A 191 -7.522 -9.527 -0.066 1.00 1.23 H new ATOM 1102 N THR A 192 -10.983 -12.798 -1.368 1.00 0.46 N ATOM 1103 CA THR A 192 -11.793 -14.004 -1.308 1.00 0.60 C ATOM 1104 C THR A 192 -12.050 -14.595 -2.690 1.00 0.59 C ATOM 1105 O THR A 192 -13.100 -15.186 -2.940 1.00 0.73 O ATOM 1106 CB THR A 192 -13.134 -13.726 -0.611 1.00 0.76 C ATOM 1107 OG1 THR A 192 -13.800 -12.625 -1.244 1.00 0.69 O ATOM 1108 CG2 THR A 192 -12.924 -13.414 0.862 1.00 0.90 C ATOM 0 H THR A 192 -11.518 -11.929 -1.359 1.00 0.46 H new ATOM 0 HA THR A 192 -11.226 -14.733 -0.729 1.00 0.60 H new ATOM 0 HB THR A 192 -13.751 -14.621 -0.694 1.00 0.76 H new ATOM 0 HG1 THR A 192 -14.654 -12.457 -0.794 1.00 0.69 H new ATOM 0 HG21 THR A 192 -13.887 -13.221 1.334 1.00 0.90 H new ATOM 0 HG22 THR A 192 -12.445 -14.263 1.349 1.00 0.90 H new ATOM 0 HG23 THR A 192 -12.289 -12.534 0.961 1.00 0.90 H new ATOM 1116 N LYS A 193 -11.082 -14.458 -3.581 1.00 0.51 N ATOM 1117 CA LYS A 193 -11.178 -15.073 -4.893 1.00 0.58 C ATOM 1118 C LYS A 193 -10.369 -16.362 -4.926 1.00 0.69 C ATOM 1119 O LYS A 193 -9.955 -16.841 -5.985 1.00 0.82 O ATOM 1120 CB LYS A 193 -10.741 -14.090 -5.989 1.00 0.53 C ATOM 1121 CG LYS A 193 -9.438 -13.360 -5.704 1.00 0.45 C ATOM 1122 CD LYS A 193 -8.221 -14.202 -6.036 1.00 0.53 C ATOM 1123 CE LYS A 193 -6.937 -13.454 -5.728 1.00 0.57 C ATOM 1124 NZ LYS A 193 -5.739 -14.181 -6.232 1.00 1.12 N ATOM 0 H LYS A 193 -10.225 -13.929 -3.420 1.00 0.51 H new ATOM 0 HA LYS A 193 -12.219 -15.329 -5.091 1.00 0.58 H new ATOM 0 HB2 LYS A 193 -10.639 -14.635 -6.927 1.00 0.53 H new ATOM 0 HB3 LYS A 193 -11.531 -13.353 -6.133 1.00 0.53 H new ATOM 0 HG2 LYS A 193 -9.407 -12.437 -6.283 1.00 0.45 H new ATOM 0 HG3 LYS A 193 -9.405 -13.077 -4.652 1.00 0.45 H new ATOM 0 HD2 LYS A 193 -8.251 -15.130 -5.465 1.00 0.53 H new ATOM 0 HD3 LYS A 193 -8.242 -14.476 -7.091 1.00 0.53 H new ATOM 0 HE2 LYS A 193 -6.977 -12.462 -6.179 1.00 0.57 H new ATOM 0 HE3 LYS A 193 -6.849 -13.311 -4.651 1.00 0.57 H new ATOM 0 HZ1 LYS A 193 -4.928 -13.985 -5.612 1.00 1.12 H new ATOM 0 HZ2 LYS A 193 -5.931 -15.203 -6.239 1.00 1.12 H new ATOM 0 HZ3 LYS A 193 -5.521 -13.863 -7.198 1.00 1.12 H new ATOM 1138 N GLY A 194 -10.178 -16.933 -3.746 1.00 0.70 N ATOM 1139 CA GLY A 194 -9.373 -18.123 -3.608 1.00 0.81 C ATOM 1140 C GLY A 194 -7.989 -17.773 -3.121 1.00 0.75 C ATOM 1141 O GLY A 194 -7.041 -18.547 -3.260 1.00 0.86 O ATOM 0 H GLY A 194 -10.573 -16.586 -2.872 1.00 0.70 H new ATOM 0 HA2 GLY A 194 -9.848 -18.811 -2.908 1.00 0.81 H new ATOM 0 HA3 GLY A 194 -9.308 -18.638 -4.566 1.00 0.81 H new ATOM 1145 N GLU A 195 -7.880 -16.586 -2.550 1.00 0.63 N ATOM 1146 CA GLU A 195 -6.626 -16.104 -2.020 1.00 0.60 C ATOM 1147 C GLU A 195 -6.659 -16.204 -0.505 1.00 0.59 C ATOM 1148 O GLU A 195 -7.731 -16.326 0.093 1.00 0.63 O ATOM 1149 CB GLU A 195 -6.396 -14.651 -2.455 1.00 0.64 C ATOM 1150 CG GLU A 195 -4.966 -14.181 -2.294 1.00 0.72 C ATOM 1151 CD GLU A 195 -4.029 -14.923 -3.216 1.00 0.84 C ATOM 1152 OE1 GLU A 195 -3.525 -15.993 -2.817 1.00 1.29 O ATOM 1153 OE2 GLU A 195 -3.816 -14.441 -4.349 1.00 1.40 O ATOM 0 H GLU A 195 -8.658 -15.935 -2.443 1.00 0.63 H new ATOM 0 HA GLU A 195 -5.806 -16.711 -2.404 1.00 0.60 H new ATOM 0 HB2 GLU A 195 -6.688 -14.545 -3.500 1.00 0.64 H new ATOM 0 HB3 GLU A 195 -7.049 -14.000 -1.874 1.00 0.64 H new ATOM 0 HG2 GLU A 195 -4.909 -13.112 -2.500 1.00 0.72 H new ATOM 0 HG3 GLU A 195 -4.650 -14.324 -1.261 1.00 0.72 H new ATOM 1160 N ASN A 196 -5.498 -16.164 0.113 1.00 0.64 N ATOM 1161 CA ASN A 196 -5.417 -16.237 1.560 1.00 0.69 C ATOM 1162 C ASN A 196 -5.135 -14.861 2.121 1.00 0.63 C ATOM 1163 O ASN A 196 -4.334 -14.115 1.558 1.00 0.80 O ATOM 1164 CB ASN A 196 -4.305 -17.195 2.002 1.00 0.91 C ATOM 1165 CG ASN A 196 -4.491 -18.604 1.477 1.00 1.07 C ATOM 1166 OD1 ASN A 196 -5.184 -19.419 2.087 1.00 1.13 O ATOM 1167 ND2 ASN A 196 -3.860 -18.911 0.353 1.00 1.99 N ATOM 0 H ASN A 196 -4.598 -16.082 -0.360 1.00 0.64 H new ATOM 0 HA ASN A 196 -6.370 -16.610 1.936 1.00 0.69 H new ATOM 0 HB2 ASN A 196 -3.345 -16.810 1.660 1.00 0.91 H new ATOM 0 HB3 ASN A 196 -4.268 -17.221 3.091 1.00 0.91 H new ATOM 0 HD21 ASN A 196 -3.939 -19.851 -0.036 1.00 1.99 H new ATOM 0 HD22 ASN A 196 -3.295 -18.208 -0.123 1.00 1.99 H new ATOM 1174 N PHE A 197 -5.811 -14.508 3.203 1.00 0.54 N ATOM 1175 CA PHE A 197 -5.472 -13.299 3.917 1.00 0.53 C ATOM 1176 C PHE A 197 -5.550 -13.514 5.419 1.00 0.56 C ATOM 1177 O PHE A 197 -6.626 -13.601 6.012 1.00 0.68 O ATOM 1178 CB PHE A 197 -6.316 -12.094 3.477 1.00 0.52 C ATOM 1179 CG PHE A 197 -7.793 -12.199 3.716 1.00 1.12 C ATOM 1180 CD1 PHE A 197 -8.547 -13.201 3.131 1.00 1.63 C ATOM 1181 CD2 PHE A 197 -8.426 -11.269 4.519 1.00 1.49 C ATOM 1182 CE1 PHE A 197 -9.911 -13.276 3.349 1.00 2.36 C ATOM 1183 CE2 PHE A 197 -9.784 -11.335 4.742 1.00 2.19 C ATOM 1184 CZ PHE A 197 -10.532 -12.341 4.158 1.00 2.61 C ATOM 0 H PHE A 197 -6.588 -15.038 3.598 1.00 0.54 H new ATOM 0 HA PHE A 197 -4.440 -13.060 3.660 1.00 0.53 H new ATOM 0 HB2 PHE A 197 -5.947 -11.209 3.996 1.00 0.52 H new ATOM 0 HB3 PHE A 197 -6.152 -11.931 2.412 1.00 0.52 H new ATOM 0 HD1 PHE A 197 -8.066 -13.932 2.498 1.00 1.63 H new ATOM 0 HD2 PHE A 197 -7.848 -10.480 4.978 1.00 1.49 H new ATOM 0 HE1 PHE A 197 -10.490 -14.063 2.889 1.00 2.36 H new ATOM 0 HE2 PHE A 197 -10.264 -10.601 5.373 1.00 2.19 H new ATOM 0 HZ PHE A 197 -11.596 -12.397 4.333 1.00 2.61 H new ATOM 1194 N THR A 198 -4.384 -13.645 6.011 1.00 0.55 N ATOM 1195 CA THR A 198 -4.242 -13.734 7.443 1.00 0.60 C ATOM 1196 C THR A 198 -3.442 -12.544 7.930 1.00 0.52 C ATOM 1197 O THR A 198 -2.984 -11.773 7.122 1.00 0.43 O ATOM 1198 CB THR A 198 -3.586 -15.068 7.879 1.00 0.74 C ATOM 1199 OG1 THR A 198 -3.564 -15.178 9.312 1.00 1.12 O ATOM 1200 CG2 THR A 198 -2.166 -15.189 7.340 1.00 0.78 C ATOM 0 H THR A 198 -3.500 -13.693 5.505 1.00 0.55 H new ATOM 0 HA THR A 198 -5.233 -13.718 7.896 1.00 0.60 H new ATOM 0 HB THR A 198 -4.187 -15.877 7.464 1.00 0.74 H new ATOM 0 HG1 THR A 198 -3.148 -16.027 9.569 1.00 1.12 H new ATOM 0 HG21 THR A 198 -1.733 -16.136 7.664 1.00 0.78 H new ATOM 0 HG22 THR A 198 -2.186 -15.153 6.251 1.00 0.78 H new ATOM 0 HG23 THR A 198 -1.561 -14.365 7.720 1.00 0.78 H new ATOM 1208 N GLU A 199 -3.385 -12.333 9.233 1.00 0.59 N ATOM 1209 CA GLU A 199 -2.532 -11.306 9.845 1.00 0.63 C ATOM 1210 C GLU A 199 -1.179 -11.185 9.134 1.00 0.55 C ATOM 1211 O GLU A 199 -0.664 -10.084 8.963 1.00 0.53 O ATOM 1212 CB GLU A 199 -2.309 -11.600 11.326 1.00 0.82 C ATOM 1213 CG GLU A 199 -1.804 -10.399 12.111 1.00 1.14 C ATOM 1214 CD GLU A 199 -2.776 -9.232 12.077 1.00 2.11 C ATOM 1215 OE1 GLU A 199 -3.931 -9.391 12.527 1.00 2.55 O ATOM 1216 OE2 GLU A 199 -2.388 -8.141 11.607 1.00 2.91 O ATOM 0 H GLU A 199 -3.930 -12.869 9.909 1.00 0.59 H new ATOM 0 HA GLU A 199 -3.055 -10.356 9.740 1.00 0.63 H new ATOM 0 HB2 GLU A 199 -3.245 -11.944 11.765 1.00 0.82 H new ATOM 0 HB3 GLU A 199 -1.592 -12.416 11.423 1.00 0.82 H new ATOM 0 HG2 GLU A 199 -1.630 -10.693 13.146 1.00 1.14 H new ATOM 0 HG3 GLU A 199 -0.844 -10.080 11.704 1.00 1.14 H new ATOM 1223 N THR A 200 -0.612 -12.308 8.713 1.00 0.56 N ATOM 1224 CA THR A 200 0.607 -12.278 7.924 1.00 0.57 C ATOM 1225 C THR A 200 0.363 -11.646 6.550 1.00 0.44 C ATOM 1226 O THR A 200 1.212 -10.915 6.045 1.00 0.44 O ATOM 1227 CB THR A 200 1.221 -13.678 7.768 1.00 0.73 C ATOM 1228 OG1 THR A 200 1.605 -14.170 9.058 1.00 0.92 O ATOM 1229 CG2 THR A 200 2.433 -13.626 6.856 1.00 0.99 C ATOM 0 H THR A 200 -0.975 -13.242 8.904 1.00 0.56 H new ATOM 0 HA THR A 200 1.321 -11.659 8.467 1.00 0.57 H new ATOM 0 HB THR A 200 0.482 -14.345 7.324 1.00 0.73 H new ATOM 0 HG1 THR A 200 1.996 -15.064 8.964 1.00 0.92 H new ATOM 0 HG21 THR A 200 2.856 -14.625 6.756 1.00 0.99 H new ATOM 0 HG22 THR A 200 2.134 -13.259 5.874 1.00 0.99 H new ATOM 0 HG23 THR A 200 3.180 -12.957 7.282 1.00 0.99 H new ATOM 1237 N ASP A 201 -0.802 -11.904 5.961 1.00 0.41 N ATOM 1238 CA ASP A 201 -1.191 -11.223 4.729 1.00 0.36 C ATOM 1239 C ASP A 201 -1.477 -9.781 4.996 1.00 0.31 C ATOM 1240 O ASP A 201 -1.266 -8.917 4.153 1.00 0.34 O ATOM 1241 CB ASP A 201 -2.404 -11.821 4.047 1.00 0.45 C ATOM 1242 CG ASP A 201 -2.139 -13.217 3.532 1.00 0.92 C ATOM 1243 OD1 ASP A 201 -1.555 -13.349 2.444 1.00 1.49 O ATOM 1244 OD2 ASP A 201 -2.499 -14.187 4.233 1.00 1.27 O ATOM 0 H ASP A 201 -1.487 -12.573 6.313 1.00 0.41 H new ATOM 0 HA ASP A 201 -0.340 -11.345 4.059 1.00 0.36 H new ATOM 0 HB2 ASP A 201 -3.238 -11.847 4.749 1.00 0.45 H new ATOM 0 HB3 ASP A 201 -2.705 -11.181 3.218 1.00 0.45 H new ATOM 1249 N ILE A 202 -1.973 -9.536 6.174 1.00 0.30 N ATOM 1250 CA ILE A 202 -2.282 -8.207 6.597 1.00 0.32 C ATOM 1251 C ILE A 202 -1.040 -7.362 6.563 1.00 0.31 C ATOM 1252 O ILE A 202 -0.990 -6.337 5.904 1.00 0.34 O ATOM 1253 CB ILE A 202 -2.833 -8.215 8.008 1.00 0.41 C ATOM 1254 CG1 ILE A 202 -3.957 -9.218 8.089 1.00 0.48 C ATOM 1255 CG2 ILE A 202 -3.293 -6.847 8.442 1.00 0.54 C ATOM 1256 CD1 ILE A 202 -5.031 -9.034 7.035 1.00 0.53 C ATOM 0 H ILE A 202 -2.174 -10.256 6.868 1.00 0.30 H new ATOM 0 HA ILE A 202 -3.031 -7.795 5.921 1.00 0.32 H new ATOM 0 HB ILE A 202 -2.036 -8.503 8.693 1.00 0.41 H new ATOM 0 HG12 ILE A 202 -3.541 -10.221 7.997 1.00 0.48 H new ATOM 0 HG13 ILE A 202 -4.417 -9.153 9.075 1.00 0.48 H new ATOM 0 HG21 ILE A 202 -3.680 -6.899 9.459 1.00 0.54 H new ATOM 0 HG22 ILE A 202 -2.453 -6.153 8.409 1.00 0.54 H new ATOM 0 HG23 ILE A 202 -4.079 -6.498 7.772 1.00 0.54 H new ATOM 0 HD11 ILE A 202 -5.801 -9.795 7.163 1.00 0.53 H new ATOM 0 HD12 ILE A 202 -5.477 -8.045 7.139 1.00 0.53 H new ATOM 0 HD13 ILE A 202 -4.588 -9.130 6.044 1.00 0.53 H new ATOM 1268 N LYS A 203 -0.012 -7.842 7.227 1.00 0.32 N ATOM 1269 CA LYS A 203 1.187 -7.071 7.375 1.00 0.35 C ATOM 1270 C LYS A 203 1.823 -6.824 6.042 1.00 0.30 C ATOM 1271 O LYS A 203 1.885 -5.691 5.626 1.00 0.31 O ATOM 1272 CB LYS A 203 2.170 -7.733 8.323 1.00 0.44 C ATOM 1273 CG LYS A 203 2.192 -9.240 8.218 1.00 0.49 C ATOM 1274 CD LYS A 203 3.592 -9.815 8.329 1.00 0.61 C ATOM 1275 CE LYS A 203 4.362 -9.654 7.026 1.00 0.77 C ATOM 1276 NZ LYS A 203 5.681 -10.344 7.070 1.00 1.14 N ATOM 0 H LYS A 203 0.011 -8.761 7.669 1.00 0.32 H new ATOM 0 HA LYS A 203 0.908 -6.112 7.812 1.00 0.35 H new ATOM 0 HB2 LYS A 203 3.170 -7.349 8.122 1.00 0.44 H new ATOM 0 HB3 LYS A 203 1.920 -7.452 9.346 1.00 0.44 H new ATOM 0 HG2 LYS A 203 1.566 -9.664 9.003 1.00 0.49 H new ATOM 0 HG3 LYS A 203 1.755 -9.540 7.266 1.00 0.49 H new ATOM 0 HD2 LYS A 203 4.129 -9.316 9.135 1.00 0.61 H new ATOM 0 HD3 LYS A 203 3.534 -10.871 8.591 1.00 0.61 H new ATOM 0 HE2 LYS A 203 3.770 -10.055 6.203 1.00 0.77 H new ATOM 0 HE3 LYS A 203 4.514 -8.594 6.823 1.00 0.77 H new ATOM 0 HZ1 LYS A 203 6.004 -10.538 6.101 1.00 1.14 H new ATOM 0 HZ2 LYS A 203 6.375 -9.737 7.551 1.00 1.14 H new ATOM 0 HZ3 LYS A 203 5.587 -11.240 7.589 1.00 1.14 H new ATOM 1290 N ILE A 204 2.246 -7.882 5.352 1.00 0.29 N ATOM 1291 CA ILE A 204 2.898 -7.741 4.055 1.00 0.28 C ATOM 1292 C ILE A 204 2.170 -6.736 3.195 1.00 0.24 C ATOM 1293 O ILE A 204 2.773 -5.906 2.554 1.00 0.27 O ATOM 1294 CB ILE A 204 2.860 -9.052 3.294 1.00 0.28 C ATOM 1295 CG1 ILE A 204 1.469 -9.598 3.466 1.00 0.26 C ATOM 1296 CG2 ILE A 204 3.920 -10.022 3.777 1.00 0.38 C ATOM 1297 CD1 ILE A 204 1.174 -10.860 2.717 1.00 0.28 C ATOM 0 H ILE A 204 2.148 -8.846 5.671 1.00 0.29 H new ATOM 0 HA ILE A 204 3.922 -7.424 4.251 1.00 0.28 H new ATOM 0 HB ILE A 204 3.086 -8.896 2.239 1.00 0.28 H new ATOM 0 HG12 ILE A 204 1.297 -9.777 4.527 1.00 0.26 H new ATOM 0 HG13 ILE A 204 0.757 -8.835 3.152 1.00 0.26 H new ATOM 0 HG21 ILE A 204 3.855 -10.947 3.204 1.00 0.38 H new ATOM 0 HG22 ILE A 204 4.907 -9.580 3.642 1.00 0.38 H new ATOM 0 HG23 ILE A 204 3.761 -10.238 4.833 1.00 0.38 H new ATOM 0 HD11 ILE A 204 0.146 -11.166 2.911 1.00 0.28 H new ATOM 0 HD12 ILE A 204 1.306 -10.688 1.649 1.00 0.28 H new ATOM 0 HD13 ILE A 204 1.855 -11.646 3.045 1.00 0.28 H new ATOM 1309 N MET A 205 0.864 -6.812 3.208 1.00 0.21 N ATOM 1310 CA MET A 205 0.083 -6.013 2.322 1.00 0.23 C ATOM 1311 C MET A 205 -0.082 -4.604 2.838 1.00 0.22 C ATOM 1312 O MET A 205 0.326 -3.649 2.175 1.00 0.22 O ATOM 1313 CB MET A 205 -1.263 -6.654 2.091 1.00 0.29 C ATOM 1314 CG MET A 205 -2.363 -5.650 1.866 1.00 0.29 C ATOM 1315 SD MET A 205 -3.972 -6.295 2.316 1.00 0.41 S ATOM 1316 CE MET A 205 -3.600 -6.772 3.995 1.00 0.35 C ATOM 0 H MET A 205 0.326 -7.421 3.825 1.00 0.21 H new ATOM 0 HA MET A 205 0.615 -5.952 1.373 1.00 0.23 H new ATOM 0 HB2 MET A 205 -1.201 -7.316 1.227 1.00 0.29 H new ATOM 0 HB3 MET A 205 -1.516 -7.275 2.950 1.00 0.29 H new ATOM 0 HG2 MET A 205 -2.158 -4.752 2.449 1.00 0.29 H new ATOM 0 HG3 MET A 205 -2.373 -5.354 0.817 1.00 0.29 H new ATOM 0 HE1 MET A 205 -3.624 -7.859 4.078 1.00 0.35 H new ATOM 0 HE2 MET A 205 -2.608 -6.409 4.265 1.00 0.35 H new ATOM 0 HE3 MET A 205 -4.340 -6.340 4.668 1.00 0.35 H new ATOM 1326 N GLU A 206 -0.683 -4.478 4.016 1.00 0.23 N ATOM 1327 CA GLU A 206 -0.945 -3.176 4.580 1.00 0.25 C ATOM 1328 C GLU A 206 0.352 -2.432 4.705 1.00 0.24 C ATOM 1329 O GLU A 206 0.431 -1.283 4.346 1.00 0.26 O ATOM 1330 CB GLU A 206 -1.605 -3.268 5.950 1.00 0.29 C ATOM 1331 CG GLU A 206 -2.824 -4.169 6.000 1.00 0.37 C ATOM 1332 CD GLU A 206 -3.632 -3.933 7.256 1.00 0.57 C ATOM 1333 OE1 GLU A 206 -3.029 -3.710 8.325 1.00 1.00 O ATOM 1334 OE2 GLU A 206 -4.880 -3.988 7.181 1.00 1.25 O ATOM 0 H GLU A 206 -0.993 -5.262 4.590 1.00 0.23 H new ATOM 0 HA GLU A 206 -1.633 -2.652 3.916 1.00 0.25 H new ATOM 0 HB2 GLU A 206 -0.871 -3.630 6.670 1.00 0.29 H new ATOM 0 HB3 GLU A 206 -1.895 -2.267 6.268 1.00 0.29 H new ATOM 0 HG2 GLU A 206 -3.448 -3.989 5.125 1.00 0.37 H new ATOM 0 HG3 GLU A 206 -2.510 -5.212 5.958 1.00 0.37 H new ATOM 1341 N ARG A 207 1.377 -3.129 5.167 1.00 0.24 N ATOM 1342 CA ARG A 207 2.681 -2.533 5.382 1.00 0.25 C ATOM 1343 C ARG A 207 3.208 -1.914 4.097 1.00 0.26 C ATOM 1344 O ARG A 207 3.521 -0.737 4.072 1.00 0.35 O ATOM 1345 CB ARG A 207 3.657 -3.580 5.921 1.00 0.25 C ATOM 1346 CG ARG A 207 4.339 -4.415 4.856 1.00 0.25 C ATOM 1347 CD ARG A 207 4.927 -5.640 5.466 1.00 0.32 C ATOM 1348 NE ARG A 207 5.881 -5.305 6.522 1.00 0.47 N ATOM 1349 CZ ARG A 207 5.899 -5.841 7.743 1.00 0.69 C ATOM 1350 NH1 ARG A 207 4.947 -6.668 8.127 1.00 0.87 N ATOM 1351 NH2 ARG A 207 6.859 -5.513 8.594 1.00 0.89 N ATOM 0 H ARG A 207 1.327 -4.120 5.402 1.00 0.24 H new ATOM 0 HA ARG A 207 2.583 -1.738 6.122 1.00 0.25 H new ATOM 0 HB2 ARG A 207 4.421 -3.075 6.512 1.00 0.25 H new ATOM 0 HB3 ARG A 207 3.119 -4.245 6.596 1.00 0.25 H new ATOM 0 HG2 ARG A 207 3.621 -4.692 4.085 1.00 0.25 H new ATOM 0 HG3 ARG A 207 5.120 -3.831 4.369 1.00 0.25 H new ATOM 0 HD2 ARG A 207 4.131 -6.262 5.876 1.00 0.32 H new ATOM 0 HD3 ARG A 207 5.426 -6.228 4.696 1.00 0.32 H new ATOM 0 HE ARG A 207 6.591 -4.604 6.307 1.00 0.47 H new ATOM 0 HH11 ARG A 207 4.187 -6.903 7.488 1.00 0.87 H new ATOM 0 HH12 ARG A 207 4.970 -7.073 9.063 1.00 0.87 H new ATOM 0 HH21 ARG A 207 7.583 -4.851 8.315 1.00 0.89 H new ATOM 0 HH22 ARG A 207 6.874 -5.922 9.528 1.00 0.89 H new ATOM 1365 N VAL A 208 3.278 -2.694 3.023 1.00 0.23 N ATOM 1366 CA VAL A 208 3.847 -2.212 1.798 1.00 0.23 C ATOM 1367 C VAL A 208 3.000 -1.121 1.220 1.00 0.25 C ATOM 1368 O VAL A 208 3.498 -0.074 0.820 1.00 0.34 O ATOM 1369 CB VAL A 208 3.990 -3.333 0.767 1.00 0.22 C ATOM 1370 CG1 VAL A 208 4.689 -2.809 -0.444 1.00 0.28 C ATOM 1371 CG2 VAL A 208 4.745 -4.496 1.352 1.00 0.22 C ATOM 0 H VAL A 208 2.945 -3.658 2.989 1.00 0.23 H new ATOM 0 HA VAL A 208 4.838 -1.824 2.033 1.00 0.23 H new ATOM 0 HB VAL A 208 2.998 -3.685 0.482 1.00 0.22 H new ATOM 0 HG11 VAL A 208 4.791 -3.607 -1.179 1.00 0.28 H new ATOM 0 HG12 VAL A 208 4.109 -1.992 -0.874 1.00 0.28 H new ATOM 0 HG13 VAL A 208 5.677 -2.445 -0.164 1.00 0.28 H new ATOM 0 HG21 VAL A 208 4.837 -5.284 0.604 1.00 0.22 H new ATOM 0 HG22 VAL A 208 5.739 -4.168 1.657 1.00 0.22 H new ATOM 0 HG23 VAL A 208 4.207 -4.880 2.219 1.00 0.22 H new ATOM 1381 N VAL A 209 1.718 -1.370 1.198 1.00 0.22 N ATOM 1382 CA VAL A 209 0.782 -0.416 0.686 1.00 0.25 C ATOM 1383 C VAL A 209 0.856 0.882 1.514 1.00 0.27 C ATOM 1384 O VAL A 209 0.843 1.988 0.973 1.00 0.32 O ATOM 1385 CB VAL A 209 -0.632 -1.041 0.666 1.00 0.31 C ATOM 1386 CG1 VAL A 209 -1.593 -0.338 1.591 1.00 1.11 C ATOM 1387 CG2 VAL A 209 -1.174 -1.068 -0.746 1.00 1.19 C ATOM 0 H VAL A 209 1.298 -2.237 1.534 1.00 0.22 H new ATOM 0 HA VAL A 209 1.030 -0.150 -0.342 1.00 0.25 H new ATOM 0 HB VAL A 209 -0.535 -2.062 1.034 1.00 0.31 H new ATOM 0 HG11 VAL A 209 -2.569 -0.819 1.536 1.00 1.11 H new ATOM 0 HG12 VAL A 209 -1.219 -0.392 2.613 1.00 1.11 H new ATOM 0 HG13 VAL A 209 -1.686 0.706 1.294 1.00 1.11 H new ATOM 0 HG21 VAL A 209 -2.170 -1.511 -0.745 1.00 1.19 H new ATOM 0 HG22 VAL A 209 -1.229 -0.051 -1.134 1.00 1.19 H new ATOM 0 HG23 VAL A 209 -0.514 -1.662 -1.378 1.00 1.19 H new ATOM 1397 N GLU A 210 1.007 0.715 2.820 1.00 0.26 N ATOM 1398 CA GLU A 210 1.078 1.825 3.763 1.00 0.29 C ATOM 1399 C GLU A 210 2.410 2.570 3.701 1.00 0.29 C ATOM 1400 O GLU A 210 2.426 3.764 3.457 1.00 0.33 O ATOM 1401 CB GLU A 210 0.775 1.297 5.178 1.00 0.31 C ATOM 1402 CG GLU A 210 1.957 1.144 6.124 1.00 0.32 C ATOM 1403 CD GLU A 210 1.999 2.219 7.184 1.00 0.70 C ATOM 1404 OE1 GLU A 210 1.000 2.367 7.929 1.00 1.19 O ATOM 1405 OE2 GLU A 210 3.034 2.900 7.302 1.00 1.12 O ATOM 0 H GLU A 210 1.084 -0.202 3.260 1.00 0.26 H new ATOM 0 HA GLU A 210 0.326 2.564 3.486 1.00 0.29 H new ATOM 0 HB2 GLU A 210 0.053 1.968 5.643 1.00 0.31 H new ATOM 0 HB3 GLU A 210 0.290 0.326 5.081 1.00 0.31 H new ATOM 0 HG2 GLU A 210 1.908 0.167 6.605 1.00 0.32 H new ATOM 0 HG3 GLU A 210 2.883 1.170 5.549 1.00 0.32 H new ATOM 1412 N GLN A 211 3.533 1.890 3.842 1.00 0.27 N ATOM 1413 CA GLN A 211 4.773 2.607 4.031 1.00 0.31 C ATOM 1414 C GLN A 211 5.234 3.154 2.694 1.00 0.31 C ATOM 1415 O GLN A 211 6.156 3.962 2.609 1.00 0.34 O ATOM 1416 CB GLN A 211 5.860 1.732 4.682 1.00 0.34 C ATOM 1417 CG GLN A 211 6.127 0.410 3.972 1.00 0.39 C ATOM 1418 CD GLN A 211 7.527 -0.108 4.228 1.00 0.97 C ATOM 1419 OE1 GLN A 211 8.463 0.210 3.493 1.00 1.55 O ATOM 1420 NE2 GLN A 211 7.688 -0.905 5.271 1.00 1.56 N ATOM 0 H GLN A 211 3.610 0.873 3.830 1.00 0.27 H new ATOM 0 HA GLN A 211 4.595 3.431 4.722 1.00 0.31 H new ATOM 0 HB2 GLN A 211 6.789 2.301 4.722 1.00 0.34 H new ATOM 0 HB3 GLN A 211 5.570 1.523 5.712 1.00 0.34 H new ATOM 0 HG2 GLN A 211 5.401 -0.332 4.305 1.00 0.39 H new ATOM 0 HG3 GLN A 211 5.981 0.540 2.900 1.00 0.39 H new ATOM 0 HE21 GLN A 211 6.889 -1.146 5.857 1.00 1.56 H new ATOM 0 HE22 GLN A 211 8.612 -1.279 5.490 1.00 1.56 H new ATOM 1429 N MET A 212 4.557 2.711 1.651 1.00 0.30 N ATOM 1430 CA MET A 212 4.784 3.215 0.320 1.00 0.31 C ATOM 1431 C MET A 212 3.891 4.404 0.061 1.00 0.30 C ATOM 1432 O MET A 212 4.298 5.368 -0.573 1.00 0.33 O ATOM 1433 CB MET A 212 4.516 2.126 -0.682 1.00 0.34 C ATOM 1434 CG MET A 212 5.366 2.231 -1.912 1.00 1.17 C ATOM 1435 SD MET A 212 4.769 3.495 -3.040 1.00 1.65 S ATOM 1436 CE MET A 212 3.046 3.012 -3.090 1.00 0.37 C ATOM 0 H MET A 212 3.836 1.992 1.708 1.00 0.30 H new ATOM 0 HA MET A 212 5.822 3.535 0.224 1.00 0.31 H new ATOM 0 HB2 MET A 212 4.688 1.158 -0.211 1.00 0.34 H new ATOM 0 HB3 MET A 212 3.465 2.158 -0.971 1.00 0.34 H new ATOM 0 HG2 MET A 212 6.393 2.458 -1.624 1.00 1.17 H new ATOM 0 HG3 MET A 212 5.384 1.268 -2.423 1.00 1.17 H new ATOM 0 HE1 MET A 212 2.786 2.697 -4.100 1.00 0.37 H new ATOM 0 HE2 MET A 212 2.879 2.187 -2.398 1.00 0.37 H new ATOM 0 HE3 MET A 212 2.422 3.858 -2.802 1.00 0.37 H new ATOM 1446 N CYS A 213 2.671 4.327 0.562 1.00 0.28 N ATOM 1447 CA CYS A 213 1.789 5.479 0.601 1.00 0.27 C ATOM 1448 C CYS A 213 2.500 6.581 1.380 1.00 0.25 C ATOM 1449 O CYS A 213 2.442 7.756 1.037 1.00 0.25 O ATOM 1450 CB CYS A 213 0.473 5.081 1.279 1.00 0.36 C ATOM 1451 SG CYS A 213 -0.843 6.340 1.276 1.00 0.42 S ATOM 0 H CYS A 213 2.267 3.474 0.949 1.00 0.28 H new ATOM 0 HA CYS A 213 1.556 5.837 -0.402 1.00 0.27 H new ATOM 0 HB2 CYS A 213 0.092 4.185 0.789 1.00 0.36 H new ATOM 0 HB3 CYS A 213 0.688 4.812 2.313 1.00 0.36 H new ATOM 1456 N ILE A 214 3.211 6.155 2.418 1.00 0.25 N ATOM 1457 CA ILE A 214 4.058 7.027 3.214 1.00 0.27 C ATOM 1458 C ILE A 214 5.256 7.525 2.400 1.00 0.27 C ATOM 1459 O ILE A 214 5.666 8.682 2.512 1.00 0.29 O ATOM 1460 CB ILE A 214 4.543 6.285 4.485 1.00 0.30 C ATOM 1461 CG1 ILE A 214 3.715 6.692 5.702 1.00 0.33 C ATOM 1462 CG2 ILE A 214 6.009 6.545 4.738 1.00 0.31 C ATOM 1463 CD1 ILE A 214 4.131 6.005 6.985 1.00 0.36 C ATOM 0 H ILE A 214 3.214 5.184 2.731 1.00 0.25 H new ATOM 0 HA ILE A 214 3.469 7.894 3.512 1.00 0.27 H new ATOM 0 HB ILE A 214 4.408 5.216 4.317 1.00 0.30 H new ATOM 0 HG12 ILE A 214 3.793 7.771 5.838 1.00 0.33 H new ATOM 0 HG13 ILE A 214 2.666 6.470 5.506 1.00 0.33 H new ATOM 0 HG21 ILE A 214 6.323 6.013 5.636 1.00 0.31 H new ATOM 0 HG22 ILE A 214 6.593 6.196 3.886 1.00 0.31 H new ATOM 0 HG23 ILE A 214 6.171 7.614 4.875 1.00 0.31 H new ATOM 0 HD11 ILE A 214 3.496 6.346 7.803 1.00 0.36 H new ATOM 0 HD12 ILE A 214 4.026 4.926 6.870 1.00 0.36 H new ATOM 0 HD13 ILE A 214 5.170 6.247 7.207 1.00 0.36 H new ATOM 1475 N THR A 215 5.814 6.641 1.585 1.00 0.28 N ATOM 1476 CA THR A 215 6.923 6.993 0.728 1.00 0.30 C ATOM 1477 C THR A 215 6.466 8.009 -0.294 1.00 0.30 C ATOM 1478 O THR A 215 7.170 8.977 -0.589 1.00 0.34 O ATOM 1479 CB THR A 215 7.492 5.756 0.011 1.00 0.34 C ATOM 1480 OG1 THR A 215 8.064 4.859 0.973 1.00 0.37 O ATOM 1481 CG2 THR A 215 8.538 6.157 -1.018 1.00 0.39 C ATOM 0 H THR A 215 5.510 5.671 1.504 1.00 0.28 H new ATOM 0 HA THR A 215 7.713 7.417 1.348 1.00 0.30 H new ATOM 0 HB THR A 215 6.678 5.254 -0.512 1.00 0.34 H new ATOM 0 HG1 THR A 215 7.348 4.376 1.436 1.00 0.37 H new ATOM 0 HG21 THR A 215 8.925 5.265 -1.511 1.00 0.39 H new ATOM 0 HG22 THR A 215 8.085 6.814 -1.760 1.00 0.39 H new ATOM 0 HG23 THR A 215 9.355 6.680 -0.521 1.00 0.39 H new ATOM 1489 N GLN A 216 5.283 7.796 -0.835 1.00 0.30 N ATOM 1490 CA GLN A 216 4.719 8.765 -1.733 1.00 0.32 C ATOM 1491 C GLN A 216 4.334 10.034 -0.992 1.00 0.30 C ATOM 1492 O GLN A 216 4.456 11.094 -1.549 1.00 0.45 O ATOM 1493 CB GLN A 216 3.542 8.180 -2.508 1.00 0.44 C ATOM 1494 CG GLN A 216 3.180 8.977 -3.753 1.00 1.08 C ATOM 1495 CD GLN A 216 4.390 9.324 -4.597 1.00 1.76 C ATOM 1496 OE1 GLN A 216 4.819 8.539 -5.442 1.00 2.17 O ATOM 1497 NE2 GLN A 216 4.931 10.512 -4.394 1.00 2.60 N ATOM 0 H GLN A 216 4.706 6.971 -0.668 1.00 0.30 H new ATOM 0 HA GLN A 216 5.482 9.034 -2.463 1.00 0.32 H new ATOM 0 HB2 GLN A 216 3.780 7.157 -2.798 1.00 0.44 H new ATOM 0 HB3 GLN A 216 2.673 8.131 -1.852 1.00 0.44 H new ATOM 0 HG2 GLN A 216 2.475 8.403 -4.354 1.00 1.08 H new ATOM 0 HG3 GLN A 216 2.673 9.895 -3.457 1.00 1.08 H new ATOM 0 HE21 GLN A 216 4.545 11.133 -3.683 1.00 2.60 H new ATOM 0 HE22 GLN A 216 5.735 10.808 -4.948 1.00 2.60 H new ATOM 1506 N TYR A 217 3.919 9.928 0.264 1.00 0.27 N ATOM 1507 CA TYR A 217 3.636 11.107 1.103 1.00 0.29 C ATOM 1508 C TYR A 217 4.821 12.077 1.100 1.00 0.30 C ATOM 1509 O TYR A 217 4.666 13.265 0.810 1.00 0.31 O ATOM 1510 CB TYR A 217 3.343 10.643 2.538 1.00 0.37 C ATOM 1511 CG TYR A 217 2.868 11.721 3.495 1.00 0.56 C ATOM 1512 CD1 TYR A 217 3.725 12.740 3.886 1.00 0.80 C ATOM 1513 CD2 TYR A 217 1.565 11.741 3.981 1.00 1.06 C ATOM 1514 CE1 TYR A 217 3.304 13.742 4.737 1.00 0.95 C ATOM 1515 CE2 TYR A 217 1.133 12.744 4.831 1.00 1.26 C ATOM 1516 CZ TYR A 217 1.986 13.652 5.294 1.00 1.04 C ATOM 1517 OH TYR A 217 1.591 14.748 6.044 1.00 1.26 O ATOM 0 H TYR A 217 3.767 9.036 0.735 1.00 0.27 H new ATOM 0 HA TYR A 217 2.770 11.630 0.697 1.00 0.29 H new ATOM 0 HB2 TYR A 217 2.587 9.859 2.499 1.00 0.37 H new ATOM 0 HB3 TYR A 217 4.248 10.193 2.947 1.00 0.37 H new ATOM 0 HD1 TYR A 217 4.740 12.749 3.518 1.00 0.80 H new ATOM 0 HD2 TYR A 217 0.878 10.960 3.690 1.00 1.06 H new ATOM 0 HE1 TYR A 217 3.951 14.573 4.977 1.00 0.95 H new ATOM 0 HE2 TYR A 217 0.094 12.789 5.121 1.00 1.26 H new ATOM 0 HH TYR A 217 1.125 14.442 6.850 1.00 1.26 H new ATOM 1527 N GLN A 218 6.006 11.570 1.416 1.00 0.33 N ATOM 1528 CA GLN A 218 7.192 12.416 1.488 1.00 0.42 C ATOM 1529 C GLN A 218 7.592 12.917 0.100 1.00 0.46 C ATOM 1530 O GLN A 218 8.104 14.027 -0.044 1.00 0.58 O ATOM 1531 CB GLN A 218 8.363 11.665 2.130 1.00 0.47 C ATOM 1532 CG GLN A 218 8.831 10.475 1.317 1.00 0.63 C ATOM 1533 CD GLN A 218 10.186 9.956 1.745 1.00 1.23 C ATOM 1534 OE1 GLN A 218 11.036 10.715 2.214 1.00 1.83 O ATOM 1535 NE2 GLN A 218 10.399 8.663 1.576 1.00 1.97 N ATOM 0 H GLN A 218 6.172 10.586 1.625 1.00 0.33 H new ATOM 0 HA GLN A 218 6.946 13.276 2.111 1.00 0.42 H new ATOM 0 HB2 GLN A 218 9.197 12.354 2.265 1.00 0.47 H new ATOM 0 HB3 GLN A 218 8.067 11.324 3.122 1.00 0.47 H new ATOM 0 HG2 GLN A 218 8.098 9.673 1.404 1.00 0.63 H new ATOM 0 HG3 GLN A 218 8.873 10.756 0.265 1.00 0.63 H new ATOM 0 HE21 GLN A 218 9.666 8.072 1.184 1.00 1.97 H new ATOM 0 HE22 GLN A 218 11.297 8.256 1.838 1.00 1.97 H new ATOM 1544 N GLN A 219 7.355 12.100 -0.922 1.00 0.42 N ATOM 1545 CA GLN A 219 7.683 12.480 -2.285 1.00 0.53 C ATOM 1546 C GLN A 219 6.591 13.380 -2.863 1.00 0.51 C ATOM 1547 O GLN A 219 6.842 14.191 -3.744 1.00 0.58 O ATOM 1548 CB GLN A 219 7.886 11.230 -3.145 1.00 0.60 C ATOM 1549 CG GLN A 219 8.219 11.537 -4.594 1.00 0.78 C ATOM 1550 CD GLN A 219 8.590 10.305 -5.394 1.00 0.98 C ATOM 1551 OE1 GLN A 219 8.117 9.201 -5.124 1.00 1.58 O ATOM 1552 NE2 GLN A 219 9.441 10.487 -6.388 1.00 1.70 N ATOM 0 H GLN A 219 6.938 11.174 -0.829 1.00 0.42 H new ATOM 0 HA GLN A 219 8.615 13.045 -2.283 1.00 0.53 H new ATOM 0 HB2 GLN A 219 8.688 10.630 -2.716 1.00 0.60 H new ATOM 0 HB3 GLN A 219 6.981 10.624 -3.109 1.00 0.60 H new ATOM 0 HG2 GLN A 219 7.363 12.022 -5.062 1.00 0.78 H new ATOM 0 HG3 GLN A 219 9.045 12.247 -4.628 1.00 0.78 H new ATOM 0 HE21 GLN A 219 9.810 11.418 -6.579 1.00 1.70 H new ATOM 0 HE22 GLN A 219 9.729 9.696 -6.964 1.00 1.70 H new ATOM 1561 N GLU A 220 5.387 13.233 -2.336 1.00 0.45 N ATOM 1562 CA GLU A 220 4.243 14.056 -2.706 1.00 0.46 C ATOM 1563 C GLU A 220 4.463 15.484 -2.272 1.00 0.46 C ATOM 1564 O GLU A 220 4.031 16.425 -2.939 1.00 0.49 O ATOM 1565 CB GLU A 220 2.989 13.521 -2.037 1.00 0.45 C ATOM 1566 CG GLU A 220 2.128 12.650 -2.918 1.00 0.75 C ATOM 1567 CD GLU A 220 1.068 11.955 -2.114 1.00 1.21 C ATOM 1568 OE1 GLU A 220 1.348 10.854 -1.597 1.00 1.74 O ATOM 1569 OE2 GLU A 220 -0.048 12.502 -2.019 1.00 1.62 O ATOM 0 H GLU A 220 5.172 12.530 -1.629 1.00 0.45 H new ATOM 0 HA GLU A 220 4.127 14.024 -3.789 1.00 0.46 H new ATOM 0 HB2 GLU A 220 3.279 12.949 -1.156 1.00 0.45 H new ATOM 0 HB3 GLU A 220 2.392 14.364 -1.687 1.00 0.45 H new ATOM 0 HG2 GLU A 220 1.662 13.258 -3.693 1.00 0.75 H new ATOM 0 HG3 GLU A 220 2.749 11.911 -3.424 1.00 0.75 H new ATOM 1576 N SER A 221 5.143 15.630 -1.148 1.00 0.46 N ATOM 1577 CA SER A 221 5.530 16.934 -0.655 1.00 0.51 C ATOM 1578 C SER A 221 6.300 17.680 -1.744 1.00 0.56 C ATOM 1579 O SER A 221 6.193 18.893 -1.888 1.00 0.63 O ATOM 1580 CB SER A 221 6.386 16.775 0.602 1.00 0.52 C ATOM 1581 OG SER A 221 6.477 17.995 1.314 1.00 0.74 O ATOM 0 H SER A 221 5.439 14.853 -0.558 1.00 0.46 H new ATOM 0 HA SER A 221 4.642 17.511 -0.397 1.00 0.51 H new ATOM 0 HB2 SER A 221 5.955 16.007 1.244 1.00 0.52 H new ATOM 0 HB3 SER A 221 7.384 16.436 0.325 1.00 0.52 H new ATOM 0 HG SER A 221 5.874 18.655 0.911 1.00 0.74 H new ATOM 1587 N GLN A 222 7.048 16.916 -2.534 1.00 0.57 N ATOM 1588 CA GLN A 222 7.811 17.457 -3.647 1.00 0.68 C ATOM 1589 C GLN A 222 7.016 17.334 -4.947 1.00 0.69 C ATOM 1590 O GLN A 222 7.267 18.046 -5.909 1.00 0.79 O ATOM 1591 CB GLN A 222 9.141 16.716 -3.757 1.00 0.77 C ATOM 1592 CG GLN A 222 9.321 15.957 -5.057 1.00 1.19 C ATOM 1593 CD GLN A 222 10.665 15.265 -5.153 1.00 1.31 C ATOM 1594 OE1 GLN A 222 10.806 14.107 -4.763 1.00 1.81 O ATOM 1595 NE2 GLN A 222 11.661 15.963 -5.668 1.00 1.52 N ATOM 0 H GLN A 222 7.140 15.907 -2.419 1.00 0.57 H new ATOM 0 HA GLN A 222 8.007 18.515 -3.470 1.00 0.68 H new ATOM 0 HB2 GLN A 222 9.954 17.434 -3.652 1.00 0.77 H new ATOM 0 HB3 GLN A 222 9.225 16.016 -2.926 1.00 0.77 H new ATOM 0 HG2 GLN A 222 8.528 15.215 -5.152 1.00 1.19 H new ATOM 0 HG3 GLN A 222 9.213 16.648 -5.893 1.00 1.19 H new ATOM 0 HE21 GLN A 222 11.504 16.921 -5.980 1.00 1.52 H new ATOM 0 HE22 GLN A 222 12.587 15.544 -5.753 1.00 1.52 H new ATOM 1604 N ALA A 223 6.072 16.409 -4.976 1.00 0.64 N ATOM 1605 CA ALA A 223 5.168 16.275 -6.112 1.00 0.71 C ATOM 1606 C ALA A 223 4.328 17.534 -6.244 1.00 0.71 C ATOM 1607 O ALA A 223 3.989 17.954 -7.350 1.00 0.82 O ATOM 1608 CB ALA A 223 4.282 15.049 -5.963 1.00 0.72 C ATOM 0 H ALA A 223 5.909 15.737 -4.226 1.00 0.64 H new ATOM 0 HA ALA A 223 5.759 16.144 -7.018 1.00 0.71 H new ATOM 0 HB1 ALA A 223 3.618 14.973 -6.824 1.00 0.72 H new ATOM 0 HB2 ALA A 223 4.904 14.156 -5.905 1.00 0.72 H new ATOM 0 HB3 ALA A 223 3.688 15.138 -5.053 1.00 0.72 H new ATOM 1614 N ALA A 224 4.014 18.140 -5.107 1.00 0.65 N ATOM 1615 CA ALA A 224 3.380 19.445 -5.088 1.00 0.72 C ATOM 1616 C ALA A 224 4.317 20.479 -5.698 1.00 0.82 C ATOM 1617 O ALA A 224 3.878 21.414 -6.357 1.00 0.93 O ATOM 1618 CB ALA A 224 2.999 19.832 -3.670 1.00 0.75 C ATOM 0 H ALA A 224 4.190 17.744 -4.184 1.00 0.65 H new ATOM 0 HA ALA A 224 2.466 19.406 -5.681 1.00 0.72 H new ATOM 0 HB1 ALA A 224 2.525 20.813 -3.676 1.00 0.75 H new ATOM 0 HB2 ALA A 224 2.304 19.096 -3.266 1.00 0.75 H new ATOM 0 HB3 ALA A 224 3.894 19.865 -3.049 1.00 0.75 H new ATOM 1624 N TYR A 225 5.617 20.283 -5.481 1.00 0.88 N ATOM 1625 CA TYR A 225 6.647 21.112 -6.103 1.00 1.02 C ATOM 1626 C TYR A 225 6.721 20.850 -7.605 1.00 1.13 C ATOM 1627 O TYR A 225 7.025 21.748 -8.388 1.00 1.30 O ATOM 1628 CB TYR A 225 8.012 20.857 -5.456 1.00 1.02 C ATOM 1629 CG TYR A 225 8.226 21.594 -4.152 1.00 1.29 C ATOM 1630 CD1 TYR A 225 7.492 21.262 -3.021 1.00 2.15 C ATOM 1631 CD2 TYR A 225 9.160 22.614 -4.051 1.00 1.62 C ATOM 1632 CE1 TYR A 225 7.686 21.930 -1.827 1.00 2.88 C ATOM 1633 CE2 TYR A 225 9.358 23.286 -2.862 1.00 2.22 C ATOM 1634 CZ TYR A 225 8.615 22.953 -1.760 1.00 2.75 C ATOM 1635 OH TYR A 225 8.820 23.604 -0.563 1.00 3.57 O ATOM 0 H TYR A 225 5.983 19.550 -4.873 1.00 0.88 H new ATOM 0 HA TYR A 225 6.376 22.156 -5.946 1.00 1.02 H new ATOM 0 HB2 TYR A 225 8.124 19.787 -5.279 1.00 1.02 H new ATOM 0 HB3 TYR A 225 8.794 21.147 -6.157 1.00 1.02 H new ATOM 0 HD1 TYR A 225 6.759 20.471 -3.075 1.00 2.15 H new ATOM 0 HD2 TYR A 225 9.743 22.887 -4.918 1.00 1.62 H new ATOM 0 HE1 TYR A 225 7.116 21.655 -0.952 1.00 2.88 H new ATOM 0 HE2 TYR A 225 10.096 24.072 -2.800 1.00 2.22 H new ATOM 0 HH TYR A 225 9.504 24.296 -0.680 1.00 3.57 H new ATOM 1645 N GLN A 226 6.440 19.615 -7.997 1.00 1.09 N ATOM 1646 CA GLN A 226 6.439 19.231 -9.404 1.00 1.27 C ATOM 1647 C GLN A 226 5.276 19.882 -10.144 1.00 1.36 C ATOM 1648 O GLN A 226 5.413 20.290 -11.296 1.00 1.55 O ATOM 1649 CB GLN A 226 6.366 17.708 -9.546 1.00 1.32 C ATOM 1650 CG GLN A 226 7.570 16.982 -8.963 1.00 1.60 C ATOM 1651 CD GLN A 226 8.869 17.396 -9.625 1.00 2.19 C ATOM 1652 OE1 GLN A 226 9.543 18.323 -9.178 1.00 2.87 O ATOM 1653 NE2 GLN A 226 9.224 16.716 -10.701 1.00 2.60 N ATOM 0 H GLN A 226 6.208 18.856 -7.356 1.00 1.09 H new ATOM 0 HA GLN A 226 7.371 19.581 -9.849 1.00 1.27 H new ATOM 0 HB2 GLN A 226 5.462 17.349 -9.054 1.00 1.32 H new ATOM 0 HB3 GLN A 226 6.276 17.454 -10.602 1.00 1.32 H new ATOM 0 HG2 GLN A 226 7.630 17.184 -7.893 1.00 1.60 H new ATOM 0 HG3 GLN A 226 7.433 15.907 -9.078 1.00 1.60 H new ATOM 0 HE21 GLN A 226 8.637 15.954 -11.039 1.00 2.60 H new ATOM 0 HE22 GLN A 226 10.085 16.953 -11.193 1.00 2.60 H new ATOM 1662 N ARG A 227 4.128 19.969 -9.481 1.00 1.25 N ATOM 1663 CA ARG A 227 2.958 20.610 -10.080 1.00 1.35 C ATOM 1664 C ARG A 227 2.921 22.111 -9.789 1.00 1.38 C ATOM 1665 O ARG A 227 2.041 22.818 -10.275 1.00 1.46 O ATOM 1666 CB ARG A 227 1.652 19.941 -9.632 1.00 1.32 C ATOM 1667 CG ARG A 227 1.545 19.679 -8.139 1.00 1.00 C ATOM 1668 CD ARG A 227 0.163 19.159 -7.765 1.00 1.08 C ATOM 1669 NE ARG A 227 -0.290 18.095 -8.664 1.00 1.97 N ATOM 1670 CZ ARG A 227 -1.559 17.699 -8.776 1.00 2.50 C ATOM 1671 NH1 ARG A 227 -2.501 18.218 -7.999 1.00 2.39 N ATOM 1672 NH2 ARG A 227 -1.884 16.771 -9.666 1.00 3.59 N ATOM 0 H ARG A 227 3.981 19.609 -8.538 1.00 1.25 H new ATOM 0 HA ARG A 227 3.049 20.481 -11.158 1.00 1.35 H new ATOM 0 HB2 ARG A 227 0.816 20.571 -9.936 1.00 1.32 H new ATOM 0 HB3 ARG A 227 1.547 18.994 -10.161 1.00 1.32 H new ATOM 0 HG2 ARG A 227 2.302 18.954 -7.840 1.00 1.00 H new ATOM 0 HG3 ARG A 227 1.750 20.598 -7.591 1.00 1.00 H new ATOM 0 HD2 ARG A 227 0.183 18.784 -6.742 1.00 1.08 H new ATOM 0 HD3 ARG A 227 -0.552 19.982 -7.789 1.00 1.08 H new ATOM 0 HE ARG A 227 0.409 17.627 -9.241 1.00 1.97 H new ATOM 0 HH11 ARG A 227 -2.258 18.927 -7.307 1.00 2.39 H new ATOM 0 HH12 ARG A 227 -3.468 17.908 -8.093 1.00 2.39 H new ATOM 0 HH21 ARG A 227 -1.165 16.362 -10.262 1.00 3.59 H new ATOM 0 HH22 ARG A 227 -2.853 16.466 -9.754 1.00 3.59 H new ATOM 1686 N ALA A 228 3.873 22.589 -8.998 1.00 1.34 N ATOM 1687 CA ALA A 228 3.976 24.014 -8.710 1.00 1.43 C ATOM 1688 C ALA A 228 4.877 24.701 -9.728 1.00 1.64 C ATOM 1689 CB ALA A 228 4.500 24.238 -7.299 1.00 1.40 C ATOM 0 H ALA A 228 4.583 22.013 -8.546 1.00 1.34 H new ATOM 0 HA ALA A 228 2.980 24.451 -8.781 1.00 1.43 H new ATOM 0 HB1 ALA A 228 4.570 25.308 -7.102 1.00 1.40 H new ATOM 0 HB2 ALA A 228 3.819 23.781 -6.581 1.00 1.40 H new ATOM 0 HB3 ALA A 228 5.487 23.786 -7.201 1.00 1.40 H new TER 1695 ALA A 228