USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 754 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 Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc=-0.00691 X(o=-0.0069,f=-0.079) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -0.0378 K(o=-0.038,f=-1.5) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -22:sc= 0.113 USER MOD Single : A 66 MET CE :methyl -178:sc= -0.0513 (180deg=-0.0615) USER MOD Single : A 67 MET CE :methyl 145:sc= -2.23 (180deg=-4.97!) USER MOD Single : A 70 THR OG1 : rot -71:sc= 0.477 USER MOD Single : A 72 SER OG : rot 30:sc= 0.139 USER MOD Single : A 74 ASN : amide:sc= -3.51! C(o=-3.5!,f=-9.1!) USER MOD Single : A 76 THR OG1 : rot -160:sc= -0.29 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 66:sc= 1 USER MOD Single : A 84 THR OG1 : rot 107:sc= 0.094 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 90 SER OG : rot 80:sc= 0.573 USER MOD Single : A 93 ASN : amide:sc= -2.49 X(o=-2.5,f=-2.4!) USER MOD Single : A 95 ASN : amide:sc= -1.27 K(o=-1.3,f=-2.4!) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.495 USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0319 F(o=-0.78,f=-0.032) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -118:sc= -0.955 (180deg=-1.61) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 131 CYS SG : rot 180:sc= 0 USER MOD Single : A 135 THR OG1 : rot -179:sc= -0.503 USER MOD ----------------------------------------------------------------- ATOM 69 N LYS A 4 3.438 4.493 -6.819 1.00 43.03 N ATOM 70 CA LYS A 4 4.645 5.307 -6.906 1.00 11.13 C ATOM 71 C LYS A 4 5.481 5.177 -5.637 1.00 21.23 C ATOM 72 O LYS A 4 6.076 6.149 -5.171 1.00 54.32 O ATOM 73 CB LYS A 4 4.279 6.775 -7.140 1.00 21.52 C ATOM 74 CG LYS A 4 3.793 7.063 -8.550 1.00 21.24 C ATOM 75 CD LYS A 4 4.915 7.586 -9.430 1.00 43.13 C ATOM 76 CE LYS A 4 4.521 8.880 -10.125 1.00 41.42 C ATOM 77 NZ LYS A 4 5.155 10.068 -9.487 1.00 73.44 N ATOM 0 HA LYS A 4 5.236 4.947 -7.748 1.00 11.13 H new ATOM 0 HB2 LYS A 4 3.504 7.065 -6.431 1.00 21.52 H new ATOM 0 HB3 LYS A 4 5.150 7.396 -6.931 1.00 21.52 H new ATOM 0 HG2 LYS A 4 3.381 6.153 -8.987 1.00 21.24 H new ATOM 0 HG3 LYS A 4 2.985 7.794 -8.515 1.00 21.24 H new ATOM 0 HD2 LYS A 4 5.806 7.754 -8.825 1.00 43.13 H new ATOM 0 HD3 LYS A 4 5.174 6.835 -10.176 1.00 43.13 H new ATOM 0 HE2 LYS A 4 4.813 8.832 -11.174 1.00 41.42 H new ATOM 0 HE3 LYS A 4 3.437 8.990 -10.100 1.00 41.42 H new ATOM 0 HZ1 LYS A 4 4.862 10.930 -9.990 1.00 73.44 H new ATOM 0 HZ2 LYS A 4 4.857 10.129 -8.493 1.00 73.44 H new ATOM 0 HZ3 LYS A 4 6.190 9.976 -9.533 1.00 73.44 H new ATOM 91 N ASP A 5 5.523 3.970 -5.083 1.00 5.11 N ATOM 92 CA ASP A 5 6.289 3.712 -3.869 1.00 4.30 C ATOM 93 C ASP A 5 7.708 3.264 -4.206 1.00 41.54 C ATOM 94 O ASP A 5 8.200 2.271 -3.670 1.00 75.34 O ATOM 95 CB ASP A 5 5.594 2.648 -3.018 1.00 42.41 C ATOM 96 CG ASP A 5 6.227 2.497 -1.649 1.00 3.51 C ATOM 97 OD1 ASP A 5 6.220 3.482 -0.880 1.00 74.44 O ATOM 98 OD2 ASP A 5 6.731 1.395 -1.346 1.00 43.50 O ATOM 0 H ASP A 5 5.036 3.155 -5.455 1.00 5.11 H new ATOM 0 HA ASP A 5 6.346 4.641 -3.301 1.00 4.30 H new ATOM 0 HB2 ASP A 5 4.542 2.910 -2.902 1.00 42.41 H new ATOM 0 HB3 ASP A 5 5.629 1.691 -3.539 1.00 42.41 H new ATOM 103 N ILE A 6 8.360 4.003 -5.098 1.00 51.10 N ATOM 104 CA ILE A 6 9.722 3.682 -5.506 1.00 73.45 C ATOM 105 C ILE A 6 10.673 3.708 -4.315 1.00 64.44 C ATOM 106 O ILE A 6 10.284 4.066 -3.204 1.00 54.10 O ATOM 107 CB ILE A 6 10.233 4.661 -6.580 1.00 24.43 C ATOM 108 CG1 ILE A 6 10.001 6.106 -6.135 1.00 52.02 C ATOM 109 CG2 ILE A 6 9.547 4.393 -7.911 1.00 3.11 C ATOM 110 CD1 ILE A 6 11.167 7.024 -6.429 1.00 72.32 C ATOM 0 H ILE A 6 7.967 4.828 -5.552 1.00 51.10 H new ATOM 0 HA ILE A 6 9.698 2.676 -5.926 1.00 73.45 H new ATOM 0 HB ILE A 6 11.304 4.509 -6.710 1.00 24.43 H new ATOM 0 HG12 ILE A 6 9.111 6.492 -6.632 1.00 52.02 H new ATOM 0 HG13 ILE A 6 9.799 6.120 -5.064 1.00 52.02 H new ATOM 0 HG21 ILE A 6 9.919 5.093 -8.659 1.00 3.11 H new ATOM 0 HG22 ILE A 6 9.759 3.373 -8.231 1.00 3.11 H new ATOM 0 HG23 ILE A 6 8.470 4.521 -7.798 1.00 3.11 H new ATOM 0 HD11 ILE A 6 10.932 8.032 -6.087 1.00 72.32 H new ATOM 0 HD12 ILE A 6 12.055 6.662 -5.910 1.00 72.32 H new ATOM 0 HD13 ILE A 6 11.356 7.040 -7.502 1.00 72.32 H new ATOM 122 N ARG A 7 11.924 3.327 -4.556 1.00 31.03 N ATOM 123 CA ARG A 7 12.932 3.307 -3.503 1.00 2.11 C ATOM 124 C ARG A 7 13.627 4.661 -3.390 1.00 12.12 C ATOM 125 O ARG A 7 14.855 4.742 -3.394 1.00 42.01 O ATOM 126 CB ARG A 7 13.966 2.213 -3.778 1.00 13.23 C ATOM 127 CG ARG A 7 14.857 1.904 -2.586 1.00 10.21 C ATOM 128 CD ARG A 7 14.424 0.628 -1.882 1.00 74.44 C ATOM 129 NE ARG A 7 14.467 0.762 -0.429 1.00 31.02 N ATOM 130 CZ ARG A 7 14.257 -0.247 0.409 1.00 35.01 C ATOM 131 NH1 ARG A 7 13.990 -1.458 -0.060 1.00 62.20 N ATOM 132 NH2 ARG A 7 14.313 -0.046 1.719 1.00 11.35 N ATOM 0 H ARG A 7 12.263 3.028 -5.471 1.00 31.03 H new ATOM 0 HA ARG A 7 12.431 3.095 -2.559 1.00 2.11 H new ATOM 0 HB2 ARG A 7 13.448 1.303 -4.079 1.00 13.23 H new ATOM 0 HB3 ARG A 7 14.590 2.518 -4.618 1.00 13.23 H new ATOM 0 HG2 ARG A 7 15.890 1.804 -2.919 1.00 10.21 H new ATOM 0 HG3 ARG A 7 14.828 2.736 -1.883 1.00 10.21 H new ATOM 0 HD2 ARG A 7 13.412 0.369 -2.192 1.00 74.44 H new ATOM 0 HD3 ARG A 7 15.072 -0.193 -2.189 1.00 74.44 H new ATOM 0 HE ARG A 7 14.669 1.681 -0.036 1.00 31.02 H new ATOM 0 HH11 ARG A 7 13.945 -1.617 -1.067 1.00 62.20 H new ATOM 0 HH12 ARG A 7 13.829 -2.231 0.586 1.00 62.20 H new ATOM 0 HH21 ARG A 7 14.518 0.884 2.084 1.00 11.35 H new ATOM 0 HH22 ARG A 7 14.152 -0.822 2.361 1.00 11.35 H new ATOM 146 N ASP A 8 12.832 5.721 -3.289 1.00 63.03 N ATOM 147 CA ASP A 8 13.370 7.072 -3.175 1.00 23.44 C ATOM 148 C ASP A 8 14.324 7.376 -4.326 1.00 10.34 C ATOM 149 O ASP A 8 15.241 8.186 -4.188 1.00 12.44 O ATOM 150 CB ASP A 8 14.093 7.244 -1.838 1.00 22.33 C ATOM 151 CG ASP A 8 13.946 8.644 -1.276 1.00 13.01 C ATOM 152 OD1 ASP A 8 14.344 9.605 -1.967 1.00 33.12 O ATOM 153 OD2 ASP A 8 13.433 8.779 -0.145 1.00 1.01 O ATOM 0 H ASP A 8 11.813 5.671 -3.284 1.00 63.03 H new ATOM 0 HA ASP A 8 12.537 7.774 -3.222 1.00 23.44 H new ATOM 0 HB2 ASP A 8 13.699 6.524 -1.120 1.00 22.33 H new ATOM 0 HB3 ASP A 8 15.151 7.017 -1.969 1.00 22.33 H new ATOM 158 N TYR A 9 14.102 6.721 -5.460 1.00 2.42 N ATOM 159 CA TYR A 9 14.944 6.920 -6.634 1.00 31.52 C ATOM 160 C TYR A 9 16.401 6.596 -6.320 1.00 5.30 C ATOM 161 O TYR A 9 17.136 7.434 -5.799 1.00 2.21 O ATOM 162 CB TYR A 9 14.826 8.360 -7.135 1.00 33.12 C ATOM 163 CG TYR A 9 13.547 8.634 -7.895 1.00 24.25 C ATOM 164 CD1 TYR A 9 13.120 7.781 -8.905 1.00 25.31 C ATOM 165 CD2 TYR A 9 12.767 9.746 -7.603 1.00 22.21 C ATOM 166 CE1 TYR A 9 11.954 8.027 -9.602 1.00 54.23 C ATOM 167 CE2 TYR A 9 11.598 9.999 -8.294 1.00 43.30 C ATOM 168 CZ TYR A 9 11.196 9.137 -9.293 1.00 12.32 C ATOM 169 OH TYR A 9 10.033 9.387 -9.985 1.00 12.25 O ATOM 0 H TYR A 9 13.347 6.048 -5.591 1.00 2.42 H new ATOM 0 HA TYR A 9 14.600 6.242 -7.415 1.00 31.52 H new ATOM 0 HB2 TYR A 9 14.885 9.038 -6.284 1.00 33.12 H new ATOM 0 HB3 TYR A 9 15.676 8.582 -7.779 1.00 33.12 H new ATOM 0 HD1 TYR A 9 13.710 6.910 -9.149 1.00 25.31 H new ATOM 0 HD2 TYR A 9 13.080 10.424 -6.823 1.00 22.21 H new ATOM 0 HE1 TYR A 9 11.637 7.354 -10.385 1.00 54.23 H new ATOM 0 HE2 TYR A 9 11.002 10.867 -8.053 1.00 43.30 H new ATOM 0 HH TYR A 9 9.619 10.207 -9.643 1.00 12.25 H new ATOM 179 N ASN A 10 16.812 5.374 -6.642 1.00 44.24 N ATOM 180 CA ASN A 10 18.182 4.938 -6.396 1.00 1.44 C ATOM 181 C ASN A 10 18.473 3.624 -7.114 1.00 54.20 C ATOM 182 O ASN A 10 19.173 3.600 -8.127 1.00 34.15 O ATOM 183 CB ASN A 10 18.425 4.776 -4.894 1.00 10.13 C ATOM 184 CG ASN A 10 19.784 4.176 -4.589 1.00 41.33 C ATOM 185 OD1 ASN A 10 19.898 2.987 -4.293 1.00 33.15 O ATOM 186 ND2 ASN A 10 20.824 5.000 -4.662 1.00 34.44 N ATOM 0 H ASN A 10 16.216 4.668 -7.074 1.00 44.24 H new ATOM 0 HA ASN A 10 18.855 5.701 -6.787 1.00 1.44 H new ATOM 0 HB2 ASN A 10 18.343 5.749 -4.409 1.00 10.13 H new ATOM 0 HB3 ASN A 10 17.647 4.141 -4.469 1.00 10.13 H new ATOM 0 HD21 ASN A 10 21.764 4.654 -4.469 1.00 34.44 H new ATOM 0 HD22 ASN A 10 20.683 5.979 -4.911 1.00 34.44 H new ATOM 193 N ASP A 11 17.930 2.534 -6.583 1.00 71.15 N ATOM 194 CA ASP A 11 18.129 1.216 -7.174 1.00 71.34 C ATOM 195 C ASP A 11 16.871 0.363 -7.037 1.00 43.23 C ATOM 196 O ASP A 11 16.933 -0.787 -6.604 1.00 65.15 O ATOM 197 CB ASP A 11 19.313 0.510 -6.512 1.00 62.11 C ATOM 198 CG ASP A 11 20.648 1.061 -6.974 1.00 72.25 C ATOM 199 OD1 ASP A 11 20.853 1.168 -8.202 1.00 15.51 O ATOM 200 OD2 ASP A 11 21.487 1.385 -6.109 1.00 2.11 O ATOM 0 H ASP A 11 17.349 2.537 -5.745 1.00 71.15 H new ATOM 0 HA ASP A 11 18.342 1.349 -8.235 1.00 71.34 H new ATOM 0 HB2 ASP A 11 19.235 0.614 -5.430 1.00 62.11 H new ATOM 0 HB3 ASP A 11 19.267 -0.556 -6.734 1.00 62.11 H new ATOM 205 N ALA A 12 15.731 0.936 -7.408 1.00 11.20 N ATOM 206 CA ALA A 12 14.459 0.229 -7.327 1.00 60.22 C ATOM 207 C ALA A 12 14.384 -0.886 -8.365 1.00 52.23 C ATOM 208 O ALA A 12 13.815 -1.947 -8.110 1.00 60.40 O ATOM 209 CB ALA A 12 13.302 1.200 -7.509 1.00 3.44 C ATOM 0 H ALA A 12 15.662 1.888 -7.768 1.00 11.20 H new ATOM 0 HA ALA A 12 14.386 -0.224 -6.338 1.00 60.22 H new ATOM 0 HB1 ALA A 12 12.359 0.658 -7.446 1.00 3.44 H new ATOM 0 HB2 ALA A 12 13.337 1.959 -6.727 1.00 3.44 H new ATOM 0 HB3 ALA A 12 13.380 1.680 -8.484 1.00 3.44 H new ATOM 215 N ASP A 13 14.960 -0.637 -9.536 1.00 62.20 N ATOM 216 CA ASP A 13 14.959 -1.620 -10.613 1.00 72.41 C ATOM 217 C ASP A 13 15.476 -2.968 -10.119 1.00 74.13 C ATOM 218 O ASP A 13 14.950 -4.018 -10.488 1.00 31.04 O ATOM 219 CB ASP A 13 15.814 -1.129 -11.782 1.00 23.21 C ATOM 220 CG ASP A 13 15.550 0.324 -12.122 1.00 53.24 C ATOM 221 OD1 ASP A 13 14.366 0.691 -12.277 1.00 62.11 O ATOM 222 OD2 ASP A 13 16.526 1.095 -12.235 1.00 62.21 O ATOM 0 H ASP A 13 15.434 0.237 -9.764 1.00 62.20 H new ATOM 0 HA ASP A 13 13.932 -1.748 -10.954 1.00 72.41 H new ATOM 0 HB2 ASP A 13 16.868 -1.256 -11.536 1.00 23.21 H new ATOM 0 HB3 ASP A 13 15.615 -1.746 -12.658 1.00 23.21 H new ATOM 227 N MET A 14 16.509 -2.930 -9.285 1.00 1.04 N ATOM 228 CA MET A 14 17.097 -4.149 -8.741 1.00 12.35 C ATOM 229 C MET A 14 16.035 -5.008 -8.061 1.00 41.11 C ATOM 230 O MET A 14 16.118 -6.236 -8.070 1.00 52.44 O ATOM 231 CB MET A 14 18.206 -3.805 -7.744 1.00 54.12 C ATOM 232 CG MET A 14 19.516 -3.410 -8.406 1.00 22.53 C ATOM 233 SD MET A 14 20.761 -2.875 -7.216 1.00 50.12 S ATOM 234 CE MET A 14 21.433 -4.452 -6.696 1.00 41.35 C ATOM 0 H MET A 14 16.957 -2.069 -8.971 1.00 1.04 H new ATOM 0 HA MET A 14 17.524 -4.717 -9.567 1.00 12.35 H new ATOM 0 HB2 MET A 14 17.869 -2.988 -7.106 1.00 54.12 H new ATOM 0 HB3 MET A 14 18.380 -4.664 -7.096 1.00 54.12 H new ATOM 0 HG2 MET A 14 19.902 -4.257 -8.974 1.00 22.53 H new ATOM 0 HG3 MET A 14 19.331 -2.606 -9.119 1.00 22.53 H new ATOM 0 HE1 MET A 14 22.218 -4.287 -5.957 1.00 41.35 H new ATOM 0 HE2 MET A 14 20.641 -5.057 -6.255 1.00 41.35 H new ATOM 0 HE3 MET A 14 21.850 -4.972 -7.558 1.00 41.35 H new ATOM 244 N ALA A 15 15.039 -4.354 -7.472 1.00 71.24 N ATOM 245 CA ALA A 15 13.961 -5.059 -6.790 1.00 53.31 C ATOM 246 C ALA A 15 13.208 -5.973 -7.751 1.00 24.53 C ATOM 247 O ALA A 15 12.567 -6.937 -7.331 1.00 53.31 O ATOM 248 CB ALA A 15 13.005 -4.065 -6.147 1.00 12.10 C ATOM 0 H ALA A 15 14.957 -3.338 -7.454 1.00 71.24 H new ATOM 0 HA ALA A 15 14.402 -5.680 -6.010 1.00 53.31 H new ATOM 0 HB1 ALA A 15 12.205 -4.605 -5.641 1.00 12.10 H new ATOM 0 HB2 ALA A 15 13.546 -3.456 -5.423 1.00 12.10 H new ATOM 0 HB3 ALA A 15 12.578 -3.421 -6.916 1.00 12.10 H new ATOM 254 N ARG A 16 13.291 -5.665 -9.041 1.00 22.52 N ATOM 255 CA ARG A 16 12.616 -6.459 -10.061 1.00 23.24 C ATOM 256 C ARG A 16 13.105 -7.904 -10.037 1.00 24.43 C ATOM 257 O ARG A 16 12.363 -8.828 -10.373 1.00 61.11 O ATOM 258 CB ARG A 16 12.850 -5.854 -11.446 1.00 15.51 C ATOM 259 CG ARG A 16 11.722 -6.126 -12.428 1.00 32.43 C ATOM 260 CD ARG A 16 11.986 -7.381 -13.245 1.00 21.31 C ATOM 261 NE ARG A 16 13.033 -7.175 -14.242 1.00 4.13 N ATOM 262 CZ ARG A 16 13.222 -7.974 -15.286 1.00 11.01 C ATOM 263 NH1 ARG A 16 12.437 -9.027 -15.469 1.00 65.11 N ATOM 264 NH2 ARG A 16 14.196 -7.720 -16.150 1.00 25.02 N ATOM 0 H ARG A 16 13.819 -4.872 -9.405 1.00 22.52 H new ATOM 0 HA ARG A 16 11.548 -6.451 -9.844 1.00 23.24 H new ATOM 0 HB2 ARG A 16 12.981 -4.777 -11.345 1.00 15.51 H new ATOM 0 HB3 ARG A 16 13.779 -6.251 -11.854 1.00 15.51 H new ATOM 0 HG2 ARG A 16 10.783 -6.235 -11.885 1.00 32.43 H new ATOM 0 HG3 ARG A 16 11.606 -5.273 -13.096 1.00 32.43 H new ATOM 0 HD2 ARG A 16 12.275 -8.193 -12.578 1.00 21.31 H new ATOM 0 HD3 ARG A 16 11.067 -7.689 -13.743 1.00 21.31 H new ATOM 0 HE ARG A 16 13.653 -6.373 -14.130 1.00 4.13 H new ATOM 0 HH11 ARG A 16 11.686 -9.225 -14.807 1.00 65.11 H new ATOM 0 HH12 ARG A 16 12.584 -9.639 -16.271 1.00 65.11 H new ATOM 0 HH21 ARG A 16 14.801 -6.910 -16.013 1.00 25.02 H new ATOM 0 HH22 ARG A 16 14.340 -8.334 -16.951 1.00 25.02 H new ATOM 278 N LEU A 17 14.358 -8.093 -9.638 1.00 4.23 N ATOM 279 CA LEU A 17 14.948 -9.426 -9.570 1.00 54.41 C ATOM 280 C LEU A 17 14.059 -10.374 -8.771 1.00 43.21 C ATOM 281 O LEU A 17 14.039 -11.580 -9.020 1.00 33.12 O ATOM 282 CB LEU A 17 16.339 -9.358 -8.938 1.00 61.14 C ATOM 283 CG LEU A 17 16.381 -9.311 -7.411 1.00 20.04 C ATOM 284 CD1 LEU A 17 16.453 -10.717 -6.835 1.00 1.20 C ATOM 285 CD2 LEU A 17 17.561 -8.477 -6.935 1.00 5.30 C ATOM 0 H LEU A 17 14.986 -7.340 -9.356 1.00 4.23 H new ATOM 0 HA LEU A 17 15.036 -9.810 -10.586 1.00 54.41 H new ATOM 0 HB2 LEU A 17 16.910 -10.225 -9.271 1.00 61.14 H new ATOM 0 HB3 LEU A 17 16.848 -8.474 -9.323 1.00 61.14 H new ATOM 0 HG LEU A 17 15.463 -8.842 -7.056 1.00 20.04 H new ATOM 0 HD11 LEU A 17 16.482 -10.663 -5.747 1.00 1.20 H new ATOM 0 HD12 LEU A 17 15.576 -11.283 -7.147 1.00 1.20 H new ATOM 0 HD13 LEU A 17 17.353 -11.213 -7.198 1.00 1.20 H new ATOM 0 HD21 LEU A 17 17.575 -8.455 -5.845 1.00 5.30 H new ATOM 0 HD22 LEU A 17 18.489 -8.917 -7.301 1.00 5.30 H new ATOM 0 HD23 LEU A 17 17.466 -7.461 -7.317 1.00 5.30 H new ATOM 297 N LEU A 18 13.325 -9.821 -7.812 1.00 50.11 N ATOM 298 CA LEU A 18 12.432 -10.617 -6.977 1.00 51.12 C ATOM 299 C LEU A 18 11.505 -11.473 -7.834 1.00 32.21 C ATOM 300 O LEU A 18 11.196 -12.611 -7.483 1.00 60.51 O ATOM 301 CB LEU A 18 11.607 -9.706 -6.066 1.00 72.32 C ATOM 302 CG LEU A 18 12.242 -9.347 -4.723 1.00 24.03 C ATOM 303 CD1 LEU A 18 13.356 -8.329 -4.914 1.00 61.33 C ATOM 304 CD2 LEU A 18 11.191 -8.815 -3.760 1.00 54.45 C ATOM 0 H LEU A 18 13.330 -8.825 -7.593 1.00 50.11 H new ATOM 0 HA LEU A 18 13.042 -11.279 -6.362 1.00 51.12 H new ATOM 0 HB2 LEU A 18 11.397 -8.782 -6.604 1.00 72.32 H new ATOM 0 HB3 LEU A 18 10.649 -10.189 -5.875 1.00 72.32 H new ATOM 0 HG LEU A 18 12.673 -10.252 -4.294 1.00 24.03 H new ATOM 0 HD11 LEU A 18 13.796 -8.086 -3.947 1.00 61.33 H new ATOM 0 HD12 LEU A 18 14.122 -8.747 -5.567 1.00 61.33 H new ATOM 0 HD13 LEU A 18 12.949 -7.424 -5.365 1.00 61.33 H new ATOM 0 HD21 LEU A 18 11.662 -8.565 -2.809 1.00 54.45 H new ATOM 0 HD22 LEU A 18 10.729 -7.922 -4.182 1.00 54.45 H new ATOM 0 HD23 LEU A 18 10.428 -9.576 -3.598 1.00 54.45 H new ATOM 316 N GLU A 19 11.066 -10.918 -8.959 1.00 44.23 N ATOM 317 CA GLU A 19 10.176 -11.632 -9.866 1.00 73.14 C ATOM 318 C GLU A 19 10.741 -13.006 -10.214 1.00 30.31 C ATOM 319 O GLU A 19 9.993 -13.948 -10.475 1.00 12.11 O ATOM 320 CB GLU A 19 9.956 -10.821 -11.145 1.00 11.31 C ATOM 321 CG GLU A 19 9.014 -11.487 -12.134 1.00 43.22 C ATOM 322 CD GLU A 19 7.584 -11.539 -11.634 1.00 31.14 C ATOM 323 OE1 GLU A 19 7.272 -12.434 -10.821 1.00 15.24 O ATOM 324 OE2 GLU A 19 6.777 -10.684 -12.055 1.00 71.23 O ATOM 0 H GLU A 19 11.312 -9.976 -9.264 1.00 44.23 H new ATOM 0 HA GLU A 19 9.219 -11.768 -9.361 1.00 73.14 H new ATOM 0 HB2 GLU A 19 9.558 -9.842 -10.880 1.00 11.31 H new ATOM 0 HB3 GLU A 19 10.918 -10.654 -11.629 1.00 11.31 H new ATOM 0 HG2 GLU A 19 9.045 -10.946 -13.080 1.00 43.22 H new ATOM 0 HG3 GLU A 19 9.362 -12.500 -12.335 1.00 43.22 H new ATOM 331 N GLN A 20 12.066 -13.111 -10.215 1.00 71.53 N ATOM 332 CA GLN A 20 12.731 -14.370 -10.532 1.00 5.40 C ATOM 333 C GLN A 20 12.206 -15.500 -9.653 1.00 55.25 C ATOM 334 O GLN A 20 12.162 -16.656 -10.073 1.00 71.24 O ATOM 335 CB GLN A 20 14.244 -14.230 -10.353 1.00 2.14 C ATOM 336 CG GLN A 20 15.033 -15.410 -10.897 1.00 32.25 C ATOM 337 CD GLN A 20 15.675 -16.238 -9.801 1.00 2.43 C ATOM 338 OE1 GLN A 20 15.115 -16.393 -8.715 1.00 4.20 O ATOM 339 NE2 GLN A 20 16.857 -16.775 -10.080 1.00 1.22 N ATOM 0 H GLN A 20 12.700 -12.341 -10.000 1.00 71.53 H new ATOM 0 HA GLN A 20 12.515 -14.614 -11.572 1.00 5.40 H new ATOM 0 HB2 GLN A 20 14.578 -13.320 -10.851 1.00 2.14 H new ATOM 0 HB3 GLN A 20 14.467 -14.113 -9.292 1.00 2.14 H new ATOM 0 HG2 GLN A 20 14.371 -16.045 -11.486 1.00 32.25 H new ATOM 0 HG3 GLN A 20 15.807 -15.045 -11.572 1.00 32.25 H new ATOM 0 HE21 GLN A 20 17.285 -16.621 -10.993 1.00 1.22 H new ATOM 0 HE22 GLN A 20 17.337 -17.342 -9.381 1.00 1.22 H new ATOM 348 N TRP A 21 11.808 -15.158 -8.433 1.00 50.34 N ATOM 349 CA TRP A 21 11.285 -16.145 -7.495 1.00 41.33 C ATOM 350 C TRP A 21 10.147 -16.942 -8.122 1.00 71.24 C ATOM 351 O TRP A 21 10.045 -18.153 -7.927 1.00 43.21 O ATOM 352 CB TRP A 21 10.800 -15.457 -6.218 1.00 75.31 C ATOM 353 CG TRP A 21 11.915 -15.034 -5.311 1.00 13.13 C ATOM 354 CD1 TRP A 21 13.150 -15.607 -5.208 1.00 30.25 C ATOM 355 CD2 TRP A 21 11.895 -13.948 -4.378 1.00 1.12 C ATOM 356 NE1 TRP A 21 13.899 -14.943 -4.267 1.00 24.04 N ATOM 357 CE2 TRP A 21 13.153 -13.921 -3.744 1.00 14.42 C ATOM 358 CE3 TRP A 21 10.939 -12.995 -4.018 1.00 14.11 C ATOM 359 CZ2 TRP A 21 13.475 -12.978 -2.771 1.00 30.43 C ATOM 360 CZ3 TRP A 21 11.260 -12.061 -3.052 1.00 11.42 C ATOM 361 CH2 TRP A 21 12.519 -12.057 -2.438 1.00 24.23 C ATOM 0 H TRP A 21 11.837 -14.205 -8.070 1.00 50.34 H new ATOM 0 HA TRP A 21 12.091 -16.835 -7.244 1.00 41.33 H new ATOM 0 HB2 TRP A 21 10.209 -14.582 -6.488 1.00 75.31 H new ATOM 0 HB3 TRP A 21 10.139 -16.134 -5.678 1.00 75.31 H new ATOM 0 HD1 TRP A 21 13.488 -16.457 -5.782 1.00 30.25 H new ATOM 0 HE1 TRP A 21 14.856 -15.174 -4.001 1.00 24.04 H new ATOM 0 HE3 TRP A 21 9.966 -12.989 -4.487 1.00 14.11 H new ATOM 0 HZ2 TRP A 21 14.445 -12.974 -2.296 1.00 30.43 H new ATOM 0 HZ3 TRP A 21 10.527 -11.321 -2.765 1.00 11.42 H new ATOM 0 HH2 TRP A 21 12.740 -11.313 -1.687 1.00 24.23 H new ATOM 372 N GLU A 22 9.294 -16.256 -8.876 1.00 13.40 N ATOM 373 CA GLU A 22 8.163 -16.902 -9.531 1.00 35.13 C ATOM 374 C GLU A 22 8.634 -18.034 -10.439 1.00 50.24 C ATOM 375 O GLU A 22 8.389 -19.209 -10.166 1.00 11.25 O ATOM 376 CB GLU A 22 7.363 -15.881 -10.342 1.00 52.04 C ATOM 377 CG GLU A 22 6.420 -15.038 -9.500 1.00 72.13 C ATOM 378 CD GLU A 22 7.132 -14.315 -8.374 1.00 43.52 C ATOM 379 OE1 GLU A 22 8.167 -13.669 -8.644 1.00 34.15 O ATOM 380 OE2 GLU A 22 6.654 -14.394 -7.223 1.00 5.01 O ATOM 0 H GLU A 22 9.365 -15.253 -9.048 1.00 13.40 H new ATOM 0 HA GLU A 22 7.521 -17.324 -8.758 1.00 35.13 H new ATOM 0 HB2 GLU A 22 8.056 -15.222 -10.866 1.00 52.04 H new ATOM 0 HB3 GLU A 22 6.786 -16.406 -11.103 1.00 52.04 H new ATOM 0 HG2 GLU A 22 5.923 -14.308 -10.139 1.00 72.13 H new ATOM 0 HG3 GLU A 22 5.642 -15.677 -9.082 1.00 72.13 H new ATOM 387 N LYS A 23 9.312 -17.671 -11.523 1.00 53.11 N ATOM 388 CA LYS A 23 9.819 -18.653 -12.473 1.00 61.55 C ATOM 389 C LYS A 23 8.674 -19.417 -13.130 1.00 74.31 C ATOM 390 O LYS A 23 8.874 -20.495 -13.690 1.00 22.32 O ATOM 391 CB LYS A 23 10.763 -19.633 -11.771 1.00 53.43 C ATOM 392 CG LYS A 23 11.787 -20.262 -12.700 1.00 34.33 C ATOM 393 CD LYS A 23 11.923 -21.755 -12.449 1.00 51.25 C ATOM 394 CE LYS A 23 12.158 -22.518 -13.744 1.00 53.11 C ATOM 395 NZ LYS A 23 13.075 -23.675 -13.548 1.00 15.24 N ATOM 0 H LYS A 23 9.523 -16.703 -11.765 1.00 53.11 H new ATOM 0 HA LYS A 23 10.369 -18.120 -13.248 1.00 61.55 H new ATOM 0 HB2 LYS A 23 11.285 -19.111 -10.969 1.00 53.43 H new ATOM 0 HB3 LYS A 23 10.173 -20.423 -11.306 1.00 53.43 H new ATOM 0 HG2 LYS A 23 11.494 -20.091 -13.736 1.00 34.33 H new ATOM 0 HG3 LYS A 23 12.754 -19.779 -12.559 1.00 34.33 H new ATOM 0 HD2 LYS A 23 12.751 -21.936 -11.763 1.00 51.25 H new ATOM 0 HD3 LYS A 23 11.020 -22.127 -11.964 1.00 51.25 H new ATOM 0 HE2 LYS A 23 11.204 -22.873 -14.135 1.00 53.11 H new ATOM 0 HE3 LYS A 23 12.578 -21.845 -14.491 1.00 53.11 H new ATOM 0 HZ1 LYS A 23 13.209 -24.169 -14.453 1.00 15.24 H new ATOM 0 HZ2 LYS A 23 13.994 -23.335 -13.199 1.00 15.24 H new ATOM 0 HZ3 LYS A 23 12.663 -24.331 -12.854 1.00 15.24 H new ATOM 409 N ASP A 24 7.474 -18.851 -13.059 1.00 71.30 N ATOM 410 CA ASP A 24 6.297 -19.478 -13.649 1.00 73.00 C ATOM 411 C ASP A 24 6.456 -19.620 -15.160 1.00 2.05 C ATOM 412 O ASP A 24 5.988 -20.591 -15.755 1.00 14.53 O ATOM 413 CB ASP A 24 5.044 -18.661 -13.331 1.00 12.45 C ATOM 414 CG ASP A 24 4.005 -19.465 -12.574 1.00 52.31 C ATOM 415 OD1 ASP A 24 4.292 -19.881 -11.432 1.00 11.42 O ATOM 416 OD2 ASP A 24 2.904 -19.678 -13.124 1.00 1.50 O ATOM 0 H ASP A 24 7.291 -17.959 -12.599 1.00 71.30 H new ATOM 0 HA ASP A 24 6.192 -20.473 -13.217 1.00 73.00 H new ATOM 0 HB2 ASP A 24 5.323 -17.788 -12.742 1.00 12.45 H new ATOM 0 HB3 ASP A 24 4.608 -18.293 -14.260 1.00 12.45 H new ATOM 421 N ASP A 25 7.119 -18.646 -15.773 1.00 50.03 N ATOM 422 CA ASP A 25 7.340 -18.662 -17.215 1.00 23.04 C ATOM 423 C ASP A 25 6.016 -18.586 -17.969 1.00 3.14 C ATOM 424 O ASP A 25 5.877 -19.145 -19.057 1.00 3.23 O ATOM 425 CB ASP A 25 8.101 -19.925 -17.621 1.00 62.02 C ATOM 426 CG ASP A 25 9.150 -19.653 -18.682 1.00 11.14 C ATOM 427 OD1 ASP A 25 8.914 -18.775 -19.538 1.00 35.51 O ATOM 428 OD2 ASP A 25 10.207 -20.318 -18.656 1.00 31.03 O ATOM 0 H ASP A 25 7.513 -17.836 -15.295 1.00 50.03 H new ATOM 0 HA ASP A 25 7.936 -17.788 -17.476 1.00 23.04 H new ATOM 0 HB2 ASP A 25 8.581 -20.355 -16.742 1.00 62.02 H new ATOM 0 HB3 ASP A 25 7.395 -20.667 -17.994 1.00 62.02 H new ATOM 433 N ASP A 26 5.047 -17.892 -17.383 1.00 31.25 N ATOM 434 CA ASP A 26 3.734 -17.743 -17.999 1.00 14.13 C ATOM 435 C ASP A 26 3.833 -16.965 -19.307 1.00 74.45 C ATOM 436 O ASP A 26 2.938 -17.034 -20.151 1.00 31.33 O ATOM 437 CB ASP A 26 2.775 -17.034 -17.041 1.00 11.40 C ATOM 438 CG ASP A 26 1.389 -16.863 -17.630 1.00 54.04 C ATOM 439 OD1 ASP A 26 0.667 -17.875 -17.753 1.00 70.11 O ATOM 440 OD2 ASP A 26 1.025 -15.717 -17.968 1.00 71.32 O ATOM 0 H ASP A 26 5.146 -17.424 -16.482 1.00 31.25 H new ATOM 0 HA ASP A 26 3.347 -18.738 -18.217 1.00 14.13 H new ATOM 0 HB2 ASP A 26 2.705 -17.604 -16.114 1.00 11.40 H new ATOM 0 HB3 ASP A 26 3.181 -16.055 -16.784 1.00 11.40 H new ATOM 445 N ILE A 27 4.925 -16.226 -19.469 1.00 54.12 N ATOM 446 CA ILE A 27 5.140 -15.436 -20.675 1.00 12.30 C ATOM 447 C ILE A 27 6.293 -15.996 -21.501 1.00 0.44 C ATOM 448 O ILE A 27 7.278 -16.490 -20.953 1.00 40.22 O ATOM 449 CB ILE A 27 5.433 -13.962 -20.337 1.00 41.14 C ATOM 450 CG1 ILE A 27 6.728 -13.849 -19.531 1.00 4.22 C ATOM 451 CG2 ILE A 27 4.270 -13.353 -19.569 1.00 54.23 C ATOM 452 CD1 ILE A 27 7.957 -13.634 -20.387 1.00 74.23 C ATOM 0 H ILE A 27 5.675 -16.158 -18.781 1.00 54.12 H new ATOM 0 HA ILE A 27 4.220 -15.491 -21.257 1.00 12.30 H new ATOM 0 HB ILE A 27 5.557 -13.409 -21.268 1.00 41.14 H new ATOM 0 HG12 ILE A 27 6.637 -13.022 -18.827 1.00 4.22 H new ATOM 0 HG13 ILE A 27 6.860 -14.757 -18.942 1.00 4.22 H new ATOM 0 HG21 ILE A 27 4.492 -12.311 -19.338 1.00 54.23 H new ATOM 0 HG22 ILE A 27 3.366 -13.405 -20.176 1.00 54.23 H new ATOM 0 HG23 ILE A 27 4.117 -13.906 -18.642 1.00 54.23 H new ATOM 0 HD11 ILE A 27 8.837 -13.563 -19.748 1.00 74.23 H new ATOM 0 HD12 ILE A 27 8.073 -14.472 -21.074 1.00 74.23 H new ATOM 0 HD13 ILE A 27 7.847 -12.711 -20.957 1.00 74.23 H new ATOM 1035 N THR A 64 19.115 3.029 -24.325 1.00 54.01 N ATOM 1036 CA THR A 64 17.815 3.528 -23.895 1.00 35.55 C ATOM 1037 C THR A 64 17.196 2.613 -22.844 1.00 14.25 C ATOM 1038 O THR A 64 17.600 1.460 -22.693 1.00 64.54 O ATOM 1039 CB THR A 64 16.842 3.658 -25.082 1.00 12.43 C ATOM 1040 OG1 THR A 64 16.764 2.417 -25.790 1.00 72.44 O ATOM 1041 CG2 THR A 64 17.289 4.761 -26.029 1.00 3.41 C ATOM 0 HA THR A 64 17.982 4.514 -23.462 1.00 35.55 H new ATOM 0 HB THR A 64 15.858 3.914 -24.690 1.00 12.43 H new ATOM 0 HG1 THR A 64 17.568 1.887 -25.610 1.00 72.44 H new ATOM 0 HG21 THR A 64 16.587 4.834 -26.859 1.00 3.41 H new ATOM 0 HG22 THR A 64 17.319 5.710 -25.494 1.00 3.41 H new ATOM 0 HG23 THR A 64 18.283 4.530 -26.413 1.00 3.41 H new ATOM 1049 N LEU A 65 16.212 3.134 -22.118 1.00 41.23 N ATOM 1050 CA LEU A 65 15.536 2.364 -21.081 1.00 32.45 C ATOM 1051 C LEU A 65 14.072 2.132 -21.441 1.00 70.33 C ATOM 1052 O LEU A 65 13.307 3.080 -21.612 1.00 51.31 O ATOM 1053 CB LEU A 65 15.633 3.086 -19.736 1.00 1.41 C ATOM 1054 CG LEU A 65 15.173 4.545 -19.723 1.00 30.42 C ATOM 1055 CD1 LEU A 65 14.366 4.838 -18.468 1.00 0.43 C ATOM 1056 CD2 LEU A 65 16.368 5.482 -19.823 1.00 33.24 C ATOM 0 H LEU A 65 15.865 4.087 -22.229 1.00 41.23 H new ATOM 0 HA LEU A 65 16.030 1.396 -21.003 1.00 32.45 H new ATOM 0 HB2 LEU A 65 15.042 2.533 -19.006 1.00 1.41 H new ATOM 0 HB3 LEU A 65 16.669 3.050 -19.401 1.00 1.41 H new ATOM 0 HG LEU A 65 14.533 4.713 -20.589 1.00 30.42 H new ATOM 0 HD11 LEU A 65 14.047 5.880 -18.476 1.00 0.43 H new ATOM 0 HD12 LEU A 65 13.490 4.191 -18.440 1.00 0.43 H new ATOM 0 HD13 LEU A 65 14.982 4.654 -17.588 1.00 0.43 H new ATOM 0 HD21 LEU A 65 16.022 6.516 -19.812 1.00 33.24 H new ATOM 0 HD22 LEU A 65 17.034 5.314 -18.977 1.00 33.24 H new ATOM 0 HD23 LEU A 65 16.905 5.289 -20.752 1.00 33.24 H new ATOM 1068 N MET A 66 13.689 0.864 -21.553 1.00 63.14 N ATOM 1069 CA MET A 66 12.316 0.508 -21.890 1.00 71.43 C ATOM 1070 C MET A 66 12.015 -0.934 -21.493 1.00 21.12 C ATOM 1071 O MET A 66 12.591 -1.872 -22.043 1.00 60.11 O ATOM 1072 CB MET A 66 12.070 0.698 -23.388 1.00 72.23 C ATOM 1073 CG MET A 66 10.616 0.518 -23.793 1.00 72.50 C ATOM 1074 SD MET A 66 10.259 1.198 -25.424 1.00 64.24 S ATOM 1075 CE MET A 66 8.468 1.185 -25.413 1.00 24.42 C ATOM 0 H MET A 66 14.310 0.067 -21.415 1.00 63.14 H new ATOM 0 HA MET A 66 11.650 1.167 -21.333 1.00 71.43 H new ATOM 0 HB2 MET A 66 12.398 1.696 -23.678 1.00 72.23 H new ATOM 0 HB3 MET A 66 12.683 -0.013 -23.942 1.00 72.23 H new ATOM 0 HG2 MET A 66 10.370 -0.544 -23.785 1.00 72.50 H new ATOM 0 HG3 MET A 66 9.975 1.000 -23.055 1.00 72.50 H new ATOM 0 HE1 MET A 66 8.096 1.545 -26.372 1.00 24.42 H new ATOM 0 HE2 MET A 66 8.113 0.168 -25.244 1.00 24.42 H new ATOM 0 HE3 MET A 66 8.104 1.834 -24.616 1.00 24.42 H new ATOM 1085 N MET A 67 11.110 -1.102 -20.534 1.00 62.42 N ATOM 1086 CA MET A 67 10.733 -2.430 -20.064 1.00 62.54 C ATOM 1087 C MET A 67 9.338 -2.413 -19.448 1.00 70.31 C ATOM 1088 O MET A 67 9.055 -1.619 -18.551 1.00 75.01 O ATOM 1089 CB MET A 67 11.749 -2.940 -19.041 1.00 24.33 C ATOM 1090 CG MET A 67 11.635 -4.430 -18.761 1.00 62.12 C ATOM 1091 SD MET A 67 12.868 -5.012 -17.581 1.00 13.34 S ATOM 1092 CE MET A 67 14.369 -4.828 -18.540 1.00 51.11 C ATOM 0 H MET A 67 10.625 -0.336 -20.068 1.00 62.42 H new ATOM 0 HA MET A 67 10.724 -3.102 -20.922 1.00 62.54 H new ATOM 0 HB2 MET A 67 12.755 -2.722 -19.401 1.00 24.33 H new ATOM 0 HB3 MET A 67 11.619 -2.392 -18.108 1.00 24.33 H new ATOM 0 HG2 MET A 67 10.639 -4.648 -18.377 1.00 62.12 H new ATOM 0 HG3 MET A 67 11.744 -4.981 -19.695 1.00 62.12 H new ATOM 0 HE1 MET A 67 15.187 -4.535 -17.882 1.00 51.11 H new ATOM 0 HE2 MET A 67 14.612 -5.775 -19.021 1.00 51.11 H new ATOM 0 HE3 MET A 67 14.223 -4.061 -19.301 1.00 51.11 H new ATOM 1102 N PHE A 68 8.470 -3.294 -19.935 1.00 50.10 N ATOM 1103 CA PHE A 68 7.104 -3.379 -19.433 1.00 14.34 C ATOM 1104 C PHE A 68 6.730 -4.823 -19.113 1.00 61.34 C ATOM 1105 O PHE A 68 6.739 -5.687 -19.991 1.00 32.14 O ATOM 1106 CB PHE A 68 6.124 -2.801 -20.457 1.00 23.23 C ATOM 1107 CG PHE A 68 6.439 -1.388 -20.857 1.00 24.31 C ATOM 1108 CD1 PHE A 68 6.771 -0.441 -19.901 1.00 74.14 C ATOM 1109 CD2 PHE A 68 6.405 -1.007 -22.189 1.00 21.44 C ATOM 1110 CE1 PHE A 68 7.060 0.860 -20.267 1.00 62.10 C ATOM 1111 CE2 PHE A 68 6.694 0.292 -22.560 1.00 41.23 C ATOM 1112 CZ PHE A 68 7.023 1.227 -21.598 1.00 61.32 C ATOM 0 H PHE A 68 8.689 -3.959 -20.677 1.00 50.10 H new ATOM 0 HA PHE A 68 7.045 -2.795 -18.514 1.00 14.34 H new ATOM 0 HB2 PHE A 68 6.127 -3.431 -21.346 1.00 23.23 H new ATOM 0 HB3 PHE A 68 5.116 -2.837 -20.044 1.00 23.23 H new ATOM 0 HD1 PHE A 68 6.804 -0.723 -18.859 1.00 74.14 H new ATOM 0 HD2 PHE A 68 6.150 -1.734 -22.946 1.00 21.44 H new ATOM 0 HE1 PHE A 68 7.315 1.589 -19.512 1.00 62.10 H new ATOM 0 HE2 PHE A 68 6.663 0.576 -23.601 1.00 41.23 H new ATOM 0 HZ PHE A 68 7.251 2.243 -21.886 1.00 61.32 H new ATOM 1122 N VAL A 69 6.403 -5.078 -17.851 1.00 32.45 N ATOM 1123 CA VAL A 69 6.026 -6.417 -17.414 1.00 73.51 C ATOM 1124 C VAL A 69 4.958 -6.361 -16.327 1.00 42.11 C ATOM 1125 O VAL A 69 4.897 -5.408 -15.550 1.00 0.24 O ATOM 1126 CB VAL A 69 7.243 -7.198 -16.883 1.00 75.31 C ATOM 1127 CG1 VAL A 69 6.872 -8.649 -16.617 1.00 74.32 C ATOM 1128 CG2 VAL A 69 8.403 -7.107 -17.863 1.00 14.10 C ATOM 0 H VAL A 69 6.391 -4.375 -17.112 1.00 32.45 H new ATOM 0 HA VAL A 69 5.625 -6.933 -18.287 1.00 73.51 H new ATOM 0 HB VAL A 69 7.557 -6.750 -15.940 1.00 75.31 H new ATOM 0 HG11 VAL A 69 7.744 -9.185 -16.243 1.00 74.32 H new ATOM 0 HG12 VAL A 69 6.075 -8.691 -15.875 1.00 74.32 H new ATOM 0 HG13 VAL A 69 6.531 -9.113 -17.543 1.00 74.32 H new ATOM 0 HG21 VAL A 69 9.254 -7.664 -17.472 1.00 14.10 H new ATOM 0 HG22 VAL A 69 8.103 -7.529 -18.822 1.00 14.10 H new ATOM 0 HG23 VAL A 69 8.684 -6.063 -17.998 1.00 14.10 H new ATOM 1138 N THR A 70 4.117 -7.389 -16.277 1.00 71.13 N ATOM 1139 CA THR A 70 3.051 -7.457 -15.286 1.00 53.10 C ATOM 1140 C THR A 70 2.434 -8.850 -15.236 1.00 71.13 C ATOM 1141 O THR A 70 1.349 -9.079 -15.770 1.00 54.15 O ATOM 1142 CB THR A 70 1.943 -6.428 -15.581 1.00 1.20 C ATOM 1143 OG1 THR A 70 0.805 -6.681 -14.750 1.00 1.14 O ATOM 1144 CG2 THR A 70 1.530 -6.481 -17.044 1.00 65.32 C ATOM 0 H THR A 70 4.154 -8.186 -16.912 1.00 71.13 H new ATOM 0 HA THR A 70 3.502 -7.228 -14.321 1.00 53.10 H new ATOM 0 HB THR A 70 2.335 -5.434 -15.366 1.00 1.20 H new ATOM 0 HG1 THR A 70 0.356 -7.499 -15.050 1.00 1.14 H new ATOM 0 HG21 THR A 70 0.747 -5.746 -17.228 1.00 65.32 H new ATOM 0 HG22 THR A 70 2.392 -6.259 -17.674 1.00 65.32 H new ATOM 0 HG23 THR A 70 1.155 -7.477 -17.280 1.00 65.32 H new ATOM 1152 N VAL A 71 3.132 -9.779 -14.591 1.00 4.21 N ATOM 1153 CA VAL A 71 2.652 -11.150 -14.470 1.00 20.12 C ATOM 1154 C VAL A 71 3.580 -11.982 -13.592 1.00 2.01 C ATOM 1155 O VAL A 71 4.731 -11.611 -13.362 1.00 22.32 O ATOM 1156 CB VAL A 71 2.526 -11.825 -15.849 1.00 5.42 C ATOM 1157 CG1 VAL A 71 3.899 -12.197 -16.388 1.00 41.34 C ATOM 1158 CG2 VAL A 71 1.628 -13.049 -15.762 1.00 65.55 C ATOM 0 H VAL A 71 4.032 -9.607 -14.144 1.00 4.21 H new ATOM 0 HA VAL A 71 1.666 -11.100 -14.007 1.00 20.12 H new ATOM 0 HB VAL A 71 2.070 -11.117 -16.541 1.00 5.42 H new ATOM 0 HG11 VAL A 71 3.791 -12.673 -17.363 1.00 41.34 H new ATOM 0 HG12 VAL A 71 4.506 -11.297 -16.489 1.00 41.34 H new ATOM 0 HG13 VAL A 71 4.385 -12.888 -15.699 1.00 41.34 H new ATOM 0 HG21 VAL A 71 1.550 -13.514 -16.745 1.00 65.55 H new ATOM 0 HG22 VAL A 71 2.053 -13.763 -15.056 1.00 65.55 H new ATOM 0 HG23 VAL A 71 0.636 -12.749 -15.423 1.00 65.55 H new ATOM 1168 N SER A 72 3.072 -13.109 -13.104 1.00 72.23 N ATOM 1169 CA SER A 72 3.854 -13.993 -12.248 1.00 62.24 C ATOM 1170 C SER A 72 4.736 -14.917 -13.083 1.00 70.11 C ATOM 1171 O SER A 72 4.242 -15.700 -13.894 1.00 2.42 O ATOM 1172 CB SER A 72 2.930 -14.822 -11.355 1.00 33.13 C ATOM 1173 OG SER A 72 1.896 -15.428 -12.112 1.00 45.32 O ATOM 0 H SER A 72 2.122 -13.432 -13.287 1.00 72.23 H new ATOM 0 HA SER A 72 4.496 -13.375 -11.620 1.00 62.24 H new ATOM 0 HB2 SER A 72 3.508 -15.591 -10.843 1.00 33.13 H new ATOM 0 HB3 SER A 72 2.495 -14.184 -10.585 1.00 33.13 H new ATOM 0 HG SER A 72 2.219 -15.611 -13.019 1.00 45.32 H new ATOM 1179 N GLY A 73 6.046 -14.819 -12.878 1.00 21.43 N ATOM 1180 CA GLY A 73 6.977 -15.651 -13.618 1.00 30.01 C ATOM 1181 C GLY A 73 7.751 -14.869 -14.660 1.00 52.35 C ATOM 1182 O GLY A 73 7.237 -14.587 -15.742 1.00 10.50 O ATOM 0 H GLY A 73 6.479 -14.178 -12.213 1.00 21.43 H new ATOM 0 HA2 GLY A 73 7.677 -16.115 -12.923 1.00 30.01 H new ATOM 0 HA3 GLY A 73 6.430 -16.458 -14.106 1.00 30.01 H new ATOM 1186 N ASN A 74 8.990 -14.516 -14.334 1.00 51.21 N ATOM 1187 CA ASN A 74 9.835 -13.759 -15.250 1.00 44.11 C ATOM 1188 C ASN A 74 11.262 -13.659 -14.717 1.00 55.03 C ATOM 1189 O ASN A 74 11.699 -12.614 -14.235 1.00 52.12 O ATOM 1190 CB ASN A 74 9.261 -12.358 -15.467 1.00 51.44 C ATOM 1191 CG ASN A 74 8.436 -12.261 -16.736 1.00 60.33 C ATOM 1192 OD1 ASN A 74 8.884 -12.657 -17.813 1.00 33.55 O ATOM 1193 ND2 ASN A 74 7.224 -11.733 -16.615 1.00 51.41 N ATOM 0 H ASN A 74 9.431 -14.742 -13.442 1.00 51.21 H new ATOM 0 HA ASN A 74 9.858 -14.287 -16.204 1.00 44.11 H new ATOM 0 HB2 ASN A 74 8.641 -12.086 -14.612 1.00 51.44 H new ATOM 0 HB3 ASN A 74 10.077 -11.637 -15.512 1.00 51.44 H new ATOM 0 HD21 ASN A 74 6.623 -11.642 -17.434 1.00 51.41 H new ATOM 0 HD22 ASN A 74 6.894 -11.418 -15.703 1.00 51.41 H new ATOM 1200 N PRO A 75 12.006 -14.771 -14.806 1.00 34.52 N ATOM 1201 CA PRO A 75 13.394 -14.835 -14.339 1.00 13.40 C ATOM 1202 C PRO A 75 14.337 -14.016 -15.214 1.00 23.33 C ATOM 1203 O PRO A 75 14.627 -14.389 -16.351 1.00 52.13 O ATOM 1204 CB PRO A 75 13.733 -16.324 -14.435 1.00 33.32 C ATOM 1205 CG PRO A 75 12.816 -16.855 -15.483 1.00 3.32 C ATOM 1206 CD PRO A 75 11.549 -16.053 -15.369 1.00 21.20 C ATOM 0 HA PRO A 75 13.506 -14.423 -13.336 1.00 13.40 H new ATOM 0 HB2 PRO A 75 14.777 -16.475 -14.709 1.00 33.32 H new ATOM 0 HB3 PRO A 75 13.578 -16.828 -13.481 1.00 33.32 H new ATOM 0 HG2 PRO A 75 13.256 -16.751 -16.475 1.00 3.32 H new ATOM 0 HG3 PRO A 75 12.621 -17.916 -15.330 1.00 3.32 H new ATOM 0 HD2 PRO A 75 11.070 -15.918 -16.339 1.00 21.20 H new ATOM 0 HD3 PRO A 75 10.822 -16.541 -14.720 1.00 21.20 H new ATOM 1214 N THR A 76 14.815 -12.898 -14.676 1.00 25.40 N ATOM 1215 CA THR A 76 15.726 -12.027 -15.408 1.00 10.13 C ATOM 1216 C THR A 76 16.572 -11.191 -14.454 1.00 50.24 C ATOM 1217 O THR A 76 16.816 -10.010 -14.700 1.00 54.01 O ATOM 1218 CB THR A 76 14.961 -11.086 -16.357 1.00 41.43 C ATOM 1219 OG1 THR A 76 13.670 -11.630 -16.651 1.00 54.22 O ATOM 1220 CG2 THR A 76 15.735 -10.876 -17.650 1.00 53.41 C ATOM 0 H THR A 76 14.586 -12.575 -13.736 1.00 25.40 H new ATOM 0 HA THR A 76 16.378 -12.673 -15.996 1.00 10.13 H new ATOM 0 HB THR A 76 14.844 -10.122 -15.861 1.00 41.43 H new ATOM 0 HG1 THR A 76 13.322 -11.221 -17.471 1.00 54.22 H new ATOM 0 HG21 THR A 76 15.175 -10.208 -18.305 1.00 53.41 H new ATOM 0 HG22 THR A 76 16.706 -10.434 -17.425 1.00 53.41 H new ATOM 0 HG23 THR A 76 15.879 -11.835 -18.148 1.00 53.41 H new ATOM 1228 N GLU A 77 17.018 -11.811 -13.366 1.00 75.44 N ATOM 1229 CA GLU A 77 17.837 -11.122 -12.376 1.00 72.43 C ATOM 1230 C GLU A 77 19.026 -10.433 -13.039 1.00 23.42 C ATOM 1231 O GLU A 77 19.450 -9.357 -12.616 1.00 73.23 O ATOM 1232 CB GLU A 77 18.330 -12.108 -11.315 1.00 64.12 C ATOM 1233 CG GLU A 77 19.383 -11.526 -10.386 1.00 54.03 C ATOM 1234 CD GLU A 77 19.675 -12.424 -9.200 1.00 70.42 C ATOM 1235 OE1 GLU A 77 19.157 -13.561 -9.176 1.00 4.22 O ATOM 1236 OE2 GLU A 77 20.420 -11.992 -8.297 1.00 5.41 O ATOM 0 H GLU A 77 16.826 -12.789 -13.148 1.00 75.44 H new ATOM 0 HA GLU A 77 17.220 -10.362 -11.896 1.00 72.43 H new ATOM 0 HB2 GLU A 77 17.480 -12.445 -10.721 1.00 64.12 H new ATOM 0 HB3 GLU A 77 18.741 -12.987 -11.811 1.00 64.12 H new ATOM 0 HG2 GLU A 77 20.303 -11.359 -10.946 1.00 54.03 H new ATOM 0 HG3 GLU A 77 19.047 -10.553 -10.026 1.00 54.03 H new ATOM 1243 N LYS A 78 19.562 -11.062 -14.080 1.00 10.23 N ATOM 1244 CA LYS A 78 20.702 -10.511 -14.803 1.00 21.23 C ATOM 1245 C LYS A 78 20.336 -9.190 -15.471 1.00 1.32 C ATOM 1246 O LYS A 78 20.943 -8.156 -15.195 1.00 2.33 O ATOM 1247 CB LYS A 78 21.195 -11.508 -15.855 1.00 13.53 C ATOM 1248 CG LYS A 78 22.663 -11.867 -15.711 1.00 63.23 C ATOM 1249 CD LYS A 78 23.553 -10.888 -16.459 1.00 72.32 C ATOM 1250 CE LYS A 78 25.008 -11.025 -16.040 1.00 24.34 C ATOM 1251 NZ LYS A 78 25.590 -12.326 -16.471 1.00 70.42 N ATOM 0 H LYS A 78 19.225 -11.954 -14.442 1.00 10.23 H new ATOM 0 HA LYS A 78 21.501 -10.325 -14.085 1.00 21.23 H new ATOM 0 HB2 LYS A 78 20.599 -12.418 -15.789 1.00 13.53 H new ATOM 0 HB3 LYS A 78 21.028 -11.089 -16.847 1.00 13.53 H new ATOM 0 HG2 LYS A 78 22.935 -11.874 -14.655 1.00 63.23 H new ATOM 0 HG3 LYS A 78 22.831 -12.875 -16.090 1.00 63.23 H new ATOM 0 HD2 LYS A 78 23.464 -11.061 -17.532 1.00 72.32 H new ATOM 0 HD3 LYS A 78 23.214 -9.869 -16.271 1.00 72.32 H new ATOM 0 HE2 LYS A 78 25.588 -10.208 -16.469 1.00 24.34 H new ATOM 0 HE3 LYS A 78 25.084 -10.935 -14.956 1.00 24.34 H new ATOM 0 HZ1 LYS A 78 26.583 -12.380 -16.166 1.00 70.42 H new ATOM 0 HZ2 LYS A 78 25.053 -13.106 -16.041 1.00 70.42 H new ATOM 0 HZ3 LYS A 78 25.541 -12.402 -17.507 1.00 70.42 H new ATOM 1265 N GLU A 79 19.339 -9.232 -16.349 1.00 62.03 N ATOM 1266 CA GLU A 79 18.893 -8.037 -17.055 1.00 51.25 C ATOM 1267 C GLU A 79 18.511 -6.934 -16.072 1.00 23.43 C ATOM 1268 O GLU A 79 18.664 -5.747 -16.361 1.00 63.11 O ATOM 1269 CB GLU A 79 17.702 -8.365 -17.958 1.00 35.44 C ATOM 1270 CG GLU A 79 17.446 -7.322 -19.032 1.00 60.24 C ATOM 1271 CD GLU A 79 17.089 -7.939 -20.371 1.00 20.11 C ATOM 1272 OE1 GLU A 79 18.012 -8.380 -21.087 1.00 21.13 O ATOM 1273 OE2 GLU A 79 15.885 -7.981 -20.702 1.00 45.30 O ATOM 0 H GLU A 79 18.825 -10.080 -16.588 1.00 62.03 H new ATOM 0 HA GLU A 79 19.719 -7.681 -17.670 1.00 51.25 H new ATOM 0 HB2 GLU A 79 17.873 -9.330 -18.435 1.00 35.44 H new ATOM 0 HB3 GLU A 79 16.808 -8.468 -17.343 1.00 35.44 H new ATOM 0 HG2 GLU A 79 16.637 -6.666 -18.711 1.00 60.24 H new ATOM 0 HG3 GLU A 79 18.333 -6.700 -19.148 1.00 60.24 H new ATOM 1280 N THR A 80 18.012 -7.336 -14.907 1.00 5.45 N ATOM 1281 CA THR A 80 17.607 -6.384 -13.880 1.00 51.43 C ATOM 1282 C THR A 80 18.729 -5.399 -13.569 1.00 73.51 C ATOM 1283 O THR A 80 18.553 -4.187 -13.687 1.00 32.34 O ATOM 1284 CB THR A 80 17.193 -7.100 -12.581 1.00 62.41 C ATOM 1285 OG1 THR A 80 16.202 -8.095 -12.864 1.00 44.34 O ATOM 1286 CG2 THR A 80 16.647 -6.108 -11.566 1.00 0.21 C ATOM 0 H THR A 80 17.879 -8.314 -14.651 1.00 5.45 H new ATOM 0 HA THR A 80 16.749 -5.840 -14.275 1.00 51.43 H new ATOM 0 HB THR A 80 18.077 -7.578 -12.159 1.00 62.41 H new ATOM 0 HG1 THR A 80 16.598 -8.804 -13.412 1.00 44.34 H new ATOM 0 HG21 THR A 80 16.361 -6.637 -10.657 1.00 0.21 H new ATOM 0 HG22 THR A 80 17.413 -5.370 -11.330 1.00 0.21 H new ATOM 0 HG23 THR A 80 15.774 -5.605 -11.982 1.00 0.21 H new ATOM 1294 N GLU A 81 19.882 -5.929 -13.172 1.00 74.34 N ATOM 1295 CA GLU A 81 21.032 -5.096 -12.844 1.00 40.55 C ATOM 1296 C GLU A 81 21.367 -4.153 -13.997 1.00 22.20 C ATOM 1297 O GLU A 81 21.719 -2.994 -13.781 1.00 51.15 O ATOM 1298 CB GLU A 81 22.245 -5.968 -12.515 1.00 61.04 C ATOM 1299 CG GLU A 81 23.346 -5.226 -11.776 1.00 32.21 C ATOM 1300 CD GLU A 81 24.435 -6.152 -11.269 1.00 54.12 C ATOM 1301 OE1 GLU A 81 24.355 -7.367 -11.546 1.00 24.31 O ATOM 1302 OE2 GLU A 81 25.365 -5.662 -10.596 1.00 42.11 O ATOM 0 H GLU A 81 20.044 -6.931 -13.070 1.00 74.34 H new ATOM 0 HA GLU A 81 20.777 -4.497 -11.970 1.00 40.55 H new ATOM 0 HB2 GLU A 81 21.920 -6.815 -11.910 1.00 61.04 H new ATOM 0 HB3 GLU A 81 22.651 -6.375 -13.441 1.00 61.04 H new ATOM 0 HG2 GLU A 81 23.787 -4.482 -12.440 1.00 32.21 H new ATOM 0 HG3 GLU A 81 22.913 -4.685 -10.934 1.00 32.21 H new ATOM 1309 N GLU A 82 21.256 -4.661 -15.221 1.00 13.05 N ATOM 1310 CA GLU A 82 21.548 -3.865 -16.407 1.00 23.12 C ATOM 1311 C GLU A 82 20.661 -2.625 -16.463 1.00 33.15 C ATOM 1312 O GLU A 82 20.987 -1.645 -17.132 1.00 44.33 O ATOM 1313 CB GLU A 82 21.352 -4.703 -17.672 1.00 22.43 C ATOM 1314 CG GLU A 82 22.588 -4.773 -18.553 1.00 53.25 C ATOM 1315 CD GLU A 82 23.753 -5.464 -17.872 1.00 13.00 C ATOM 1316 OE1 GLU A 82 23.639 -6.675 -17.588 1.00 3.25 O ATOM 1317 OE2 GLU A 82 24.777 -4.795 -17.623 1.00 0.20 O ATOM 0 H GLU A 82 20.966 -5.619 -15.417 1.00 13.05 H new ATOM 0 HA GLU A 82 22.588 -3.544 -16.350 1.00 23.12 H new ATOM 0 HB2 GLU A 82 21.062 -5.714 -17.387 1.00 22.43 H new ATOM 0 HB3 GLU A 82 20.527 -4.286 -18.250 1.00 22.43 H new ATOM 0 HG2 GLU A 82 22.344 -5.304 -19.473 1.00 53.25 H new ATOM 0 HG3 GLU A 82 22.885 -3.763 -18.836 1.00 53.25 H new ATOM 1324 N ILE A 83 19.537 -2.677 -15.755 1.00 41.31 N ATOM 1325 CA ILE A 83 18.603 -1.558 -15.723 1.00 72.44 C ATOM 1326 C ILE A 83 19.224 -0.342 -15.045 1.00 31.22 C ATOM 1327 O ILE A 83 19.042 0.792 -15.490 1.00 24.24 O ATOM 1328 CB ILE A 83 17.301 -1.933 -14.990 1.00 4.31 C ATOM 1329 CG1 ILE A 83 16.663 -3.164 -15.635 1.00 75.14 C ATOM 1330 CG2 ILE A 83 16.332 -0.760 -14.999 1.00 61.12 C ATOM 1331 CD1 ILE A 83 15.454 -3.680 -14.887 1.00 33.33 C ATOM 0 H ILE A 83 19.252 -3.481 -15.196 1.00 41.31 H new ATOM 0 HA ILE A 83 18.369 -1.312 -16.759 1.00 72.44 H new ATOM 0 HB ILE A 83 17.541 -2.173 -13.954 1.00 4.31 H new ATOM 0 HG12 ILE A 83 16.371 -2.919 -16.656 1.00 75.14 H new ATOM 0 HG13 ILE A 83 17.407 -3.958 -15.698 1.00 75.14 H new ATOM 0 HG21 ILE A 83 15.417 -1.040 -14.477 1.00 61.12 H new ATOM 0 HG22 ILE A 83 16.789 0.093 -14.497 1.00 61.12 H new ATOM 0 HG23 ILE A 83 16.095 -0.492 -16.029 1.00 61.12 H new ATOM 0 HD11 ILE A 83 15.053 -4.554 -15.401 1.00 33.33 H new ATOM 0 HD12 ILE A 83 15.744 -3.957 -13.873 1.00 33.33 H new ATOM 0 HD13 ILE A 83 14.692 -2.902 -14.846 1.00 33.33 H new ATOM 1343 N THR A 84 19.960 -0.585 -13.965 1.00 31.53 N ATOM 1344 CA THR A 84 20.609 0.489 -13.224 1.00 61.13 C ATOM 1345 C THR A 84 21.402 1.398 -14.156 1.00 60.14 C ATOM 1346 O THR A 84 21.512 2.601 -13.920 1.00 53.15 O ATOM 1347 CB THR A 84 21.553 -0.066 -12.141 1.00 43.11 C ATOM 1348 OG1 THR A 84 21.831 0.947 -11.168 1.00 4.00 O ATOM 1349 CG2 THR A 84 22.855 -0.555 -12.757 1.00 62.52 C ATOM 0 H THR A 84 20.121 -1.517 -13.584 1.00 31.53 H new ATOM 0 HA THR A 84 19.818 1.065 -12.745 1.00 61.13 H new ATOM 0 HB THR A 84 21.059 -0.909 -11.657 1.00 43.11 H new ATOM 0 HG1 THR A 84 21.348 0.746 -10.339 1.00 4.00 H new ATOM 0 HG21 THR A 84 23.506 -0.942 -11.973 1.00 62.52 H new ATOM 0 HG22 THR A 84 22.643 -1.346 -13.476 1.00 62.52 H new ATOM 0 HG23 THR A 84 23.351 0.273 -13.264 1.00 62.52 H new ATOM 1357 N SER A 85 21.953 0.815 -15.216 1.00 51.14 N ATOM 1358 CA SER A 85 22.739 1.573 -16.183 1.00 71.11 C ATOM 1359 C SER A 85 21.845 2.497 -17.005 1.00 2.13 C ATOM 1360 O SER A 85 22.030 3.715 -17.011 1.00 65.22 O ATOM 1361 CB SER A 85 23.499 0.623 -17.111 1.00 3.15 C ATOM 1362 OG SER A 85 24.853 0.496 -16.711 1.00 60.25 O ATOM 0 H SER A 85 21.870 -0.179 -15.427 1.00 51.14 H new ATOM 0 HA SER A 85 23.455 2.183 -15.633 1.00 71.11 H new ATOM 0 HB2 SER A 85 23.021 -0.357 -17.105 1.00 3.15 H new ATOM 0 HB3 SER A 85 23.452 0.994 -18.135 1.00 3.15 H new ATOM 0 HG SER A 85 25.317 -0.117 -17.318 1.00 60.25 H new ATOM 1368 N LEU A 86 20.875 1.910 -17.697 1.00 24.21 N ATOM 1369 CA LEU A 86 19.951 2.679 -18.523 1.00 43.10 C ATOM 1370 C LEU A 86 19.256 3.760 -17.701 1.00 22.41 C ATOM 1371 O LEU A 86 18.911 4.822 -18.219 1.00 61.40 O ATOM 1372 CB LEU A 86 18.910 1.754 -19.155 1.00 32.22 C ATOM 1373 CG LEU A 86 19.441 0.443 -19.737 1.00 1.43 C ATOM 1374 CD1 LEU A 86 18.330 -0.315 -20.447 1.00 2.34 C ATOM 1375 CD2 LEU A 86 20.598 0.713 -20.688 1.00 71.41 C ATOM 0 H LEU A 86 20.708 0.904 -17.703 1.00 24.21 H new ATOM 0 HA LEU A 86 20.525 3.163 -19.313 1.00 43.10 H new ATOM 0 HB2 LEU A 86 18.160 1.516 -18.401 1.00 32.22 H new ATOM 0 HB3 LEU A 86 18.402 2.301 -19.949 1.00 32.22 H new ATOM 0 HG LEU A 86 19.807 -0.175 -18.917 1.00 1.43 H new ATOM 0 HD11 LEU A 86 18.727 -1.245 -20.855 1.00 2.34 H new ATOM 0 HD12 LEU A 86 17.533 -0.540 -19.739 1.00 2.34 H new ATOM 0 HD13 LEU A 86 17.933 0.296 -21.258 1.00 2.34 H new ATOM 0 HD21 LEU A 86 20.964 -0.231 -21.093 1.00 71.41 H new ATOM 0 HD22 LEU A 86 20.257 1.350 -21.504 1.00 71.41 H new ATOM 0 HD23 LEU A 86 21.403 1.213 -20.149 1.00 71.41 H new ATOM 1387 N TRP A 87 19.056 3.482 -16.418 1.00 1.12 N ATOM 1388 CA TRP A 87 18.404 4.432 -15.523 1.00 61.12 C ATOM 1389 C TRP A 87 19.070 5.801 -15.604 1.00 1.01 C ATOM 1390 O TRP A 87 18.396 6.830 -15.587 1.00 15.20 O ATOM 1391 CB TRP A 87 18.442 3.917 -14.084 1.00 22.45 C ATOM 1392 CG TRP A 87 17.488 4.628 -13.173 1.00 0.04 C ATOM 1393 CD1 TRP A 87 16.164 4.874 -13.402 1.00 64.54 C ATOM 1394 CD2 TRP A 87 17.785 5.187 -11.888 1.00 52.25 C ATOM 1395 NE1 TRP A 87 15.620 5.552 -12.338 1.00 64.23 N ATOM 1396 CE2 TRP A 87 16.594 5.756 -11.396 1.00 74.51 C ATOM 1397 CE3 TRP A 87 18.940 5.261 -11.106 1.00 0.43 C ATOM 1398 CZ2 TRP A 87 16.528 6.389 -10.158 1.00 53.22 C ATOM 1399 CZ3 TRP A 87 18.873 5.891 -9.877 1.00 61.04 C ATOM 1400 CH2 TRP A 87 17.674 6.447 -9.413 1.00 11.41 C ATOM 0 H TRP A 87 19.336 2.607 -15.974 1.00 1.12 H new ATOM 0 HA TRP A 87 17.365 4.535 -15.837 1.00 61.12 H new ATOM 0 HB2 TRP A 87 18.211 2.852 -14.081 1.00 22.45 H new ATOM 0 HB3 TRP A 87 19.454 4.025 -13.694 1.00 22.45 H new ATOM 0 HD1 TRP A 87 15.624 4.579 -14.289 1.00 64.54 H new ATOM 0 HE1 TRP A 87 14.649 5.854 -12.262 1.00 64.23 H new ATOM 0 HE3 TRP A 87 19.869 4.834 -11.455 1.00 0.43 H new ATOM 0 HZ2 TRP A 87 15.605 6.819 -9.798 1.00 53.22 H new ATOM 0 HZ3 TRP A 87 19.760 5.955 -9.264 1.00 61.04 H new ATOM 0 HH2 TRP A 87 17.654 6.931 -8.448 1.00 11.41 H new ATOM 1411 N GLN A 88 20.396 5.805 -15.692 1.00 2.11 N ATOM 1412 CA GLN A 88 21.152 7.049 -15.775 1.00 10.32 C ATOM 1413 C GLN A 88 20.680 7.896 -16.952 1.00 72.44 C ATOM 1414 O GLN A 88 20.651 9.123 -16.876 1.00 11.14 O ATOM 1415 CB GLN A 88 22.647 6.755 -15.910 1.00 71.42 C ATOM 1416 CG GLN A 88 23.534 7.780 -15.223 1.00 12.12 C ATOM 1417 CD GLN A 88 24.497 7.151 -14.236 1.00 31.43 C ATOM 1418 OE1 GLN A 88 24.095 6.377 -13.366 1.00 63.33 O ATOM 1419 NE2 GLN A 88 25.777 7.480 -14.365 1.00 71.31 N ATOM 0 H GLN A 88 20.969 4.961 -15.708 1.00 2.11 H new ATOM 0 HA GLN A 88 20.981 7.610 -14.856 1.00 10.32 H new ATOM 0 HB2 GLN A 88 22.854 5.770 -15.492 1.00 71.42 H new ATOM 0 HB3 GLN A 88 22.906 6.714 -16.968 1.00 71.42 H new ATOM 0 HG2 GLN A 88 24.099 8.329 -15.976 1.00 12.12 H new ATOM 0 HG3 GLN A 88 22.909 8.505 -14.703 1.00 12.12 H new ATOM 0 HE21 GLN A 88 26.066 8.125 -15.100 1.00 71.31 H new ATOM 0 HE22 GLN A 88 26.471 7.087 -13.729 1.00 71.31 H new ATOM 1428 N GLY A 89 20.311 7.230 -18.043 1.00 15.31 N ATOM 1429 CA GLY A 89 19.845 7.938 -19.221 1.00 61.44 C ATOM 1430 C GLY A 89 18.588 8.742 -18.956 1.00 41.11 C ATOM 1431 O GLY A 89 18.513 9.921 -19.301 1.00 5.54 O ATOM 0 H GLY A 89 20.327 6.214 -18.131 1.00 15.31 H new ATOM 0 HA2 GLY A 89 20.631 8.605 -19.575 1.00 61.44 H new ATOM 0 HA3 GLY A 89 19.652 7.221 -20.019 1.00 61.44 H new ATOM 1435 N SER A 90 17.597 8.103 -18.343 1.00 73.04 N ATOM 1436 CA SER A 90 16.334 8.765 -18.037 1.00 42.32 C ATOM 1437 C SER A 90 16.575 10.077 -17.295 1.00 74.45 C ATOM 1438 O SER A 90 15.793 11.022 -17.412 1.00 64.21 O ATOM 1439 CB SER A 90 15.443 7.848 -17.198 1.00 71.41 C ATOM 1440 OG SER A 90 16.082 6.609 -16.944 1.00 61.55 O ATOM 0 H SER A 90 17.644 7.128 -18.048 1.00 73.04 H new ATOM 0 HA SER A 90 15.831 8.986 -18.978 1.00 42.32 H new ATOM 0 HB2 SER A 90 15.200 8.336 -16.254 1.00 71.41 H new ATOM 0 HB3 SER A 90 14.501 7.675 -17.719 1.00 71.41 H new ATOM 0 HG SER A 90 16.727 6.717 -16.215 1.00 61.55 H new ATOM 1446 N LEU A 91 17.661 10.127 -16.532 1.00 73.42 N ATOM 1447 CA LEU A 91 18.006 11.322 -15.770 1.00 60.32 C ATOM 1448 C LEU A 91 18.115 12.538 -16.684 1.00 62.24 C ATOM 1449 O LEU A 91 17.577 13.604 -16.384 1.00 21.40 O ATOM 1450 CB LEU A 91 19.324 11.111 -15.023 1.00 62.12 C ATOM 1451 CG LEU A 91 19.490 11.895 -13.721 1.00 23.53 C ATOM 1452 CD1 LEU A 91 20.833 11.584 -13.079 1.00 5.23 C ATOM 1453 CD2 LEU A 91 19.351 13.388 -13.976 1.00 3.34 C ATOM 0 H LEU A 91 18.318 9.354 -16.424 1.00 73.42 H new ATOM 0 HA LEU A 91 17.211 11.504 -15.047 1.00 60.32 H new ATOM 0 HB2 LEU A 91 19.426 10.049 -14.800 1.00 62.12 H new ATOM 0 HB3 LEU A 91 20.144 11.377 -15.691 1.00 62.12 H new ATOM 0 HG LEU A 91 18.702 11.590 -13.032 1.00 23.53 H new ATOM 0 HD11 LEU A 91 20.934 12.151 -12.153 1.00 5.23 H new ATOM 0 HD12 LEU A 91 20.893 10.518 -12.860 1.00 5.23 H new ATOM 0 HD13 LEU A 91 21.636 11.860 -13.763 1.00 5.23 H new ATOM 0 HD21 LEU A 91 19.472 13.930 -13.038 1.00 3.34 H new ATOM 0 HD22 LEU A 91 20.117 13.709 -14.682 1.00 3.34 H new ATOM 0 HD23 LEU A 91 18.365 13.596 -14.391 1.00 3.34 H new ATOM 1465 N PHE A 92 18.813 12.370 -17.803 1.00 3.24 N ATOM 1466 CA PHE A 92 18.992 13.454 -18.762 1.00 20.20 C ATOM 1467 C PHE A 92 17.646 13.930 -19.301 1.00 44.22 C ATOM 1468 O PHE A 92 17.401 15.130 -19.413 1.00 54.42 O ATOM 1469 CB PHE A 92 19.885 12.998 -19.918 1.00 31.11 C ATOM 1470 CG PHE A 92 19.967 13.992 -21.040 1.00 54.45 C ATOM 1471 CD1 PHE A 92 20.651 15.186 -20.878 1.00 11.23 C ATOM 1472 CD2 PHE A 92 19.359 13.734 -22.258 1.00 73.24 C ATOM 1473 CE1 PHE A 92 20.728 16.103 -21.909 1.00 4.42 C ATOM 1474 CE2 PHE A 92 19.433 14.647 -23.293 1.00 62.12 C ATOM 1475 CZ PHE A 92 20.118 15.834 -23.118 1.00 33.32 C ATOM 0 H PHE A 92 19.264 11.494 -18.068 1.00 3.24 H new ATOM 0 HA PHE A 92 19.473 14.286 -18.247 1.00 20.20 H new ATOM 0 HB2 PHE A 92 20.889 12.808 -19.538 1.00 31.11 H new ATOM 0 HB3 PHE A 92 19.507 12.053 -20.308 1.00 31.11 H new ATOM 0 HD1 PHE A 92 21.130 15.403 -19.935 1.00 11.23 H new ATOM 0 HD2 PHE A 92 18.821 12.808 -22.400 1.00 73.24 H new ATOM 0 HE1 PHE A 92 21.265 17.030 -21.769 1.00 4.42 H new ATOM 0 HE2 PHE A 92 18.956 14.433 -24.238 1.00 62.12 H new ATOM 0 HZ PHE A 92 20.176 16.550 -23.925 1.00 33.32 H new ATOM 1485 N ASN A 93 16.779 12.980 -19.634 1.00 61.21 N ATOM 1486 CA ASN A 93 15.458 13.301 -20.163 1.00 5.41 C ATOM 1487 C ASN A 93 14.702 14.225 -19.213 1.00 20.44 C ATOM 1488 O ASN A 93 14.329 15.339 -19.579 1.00 24.32 O ATOM 1489 CB ASN A 93 14.654 12.021 -20.396 1.00 50.02 C ATOM 1490 CG ASN A 93 13.977 12.003 -21.753 1.00 33.11 C ATOM 1491 OD1 ASN A 93 14.639 12.028 -22.790 1.00 43.32 O ATOM 1492 ND2 ASN A 93 12.649 11.959 -21.751 1.00 5.01 N ATOM 0 H ASN A 93 16.967 11.981 -19.547 1.00 61.21 H new ATOM 0 HA ASN A 93 15.590 13.816 -21.114 1.00 5.41 H new ATOM 0 HB2 ASN A 93 15.316 11.159 -20.312 1.00 50.02 H new ATOM 0 HB3 ASN A 93 13.900 11.922 -19.615 1.00 50.02 H new ATOM 0 HD21 ASN A 93 12.138 11.945 -22.634 1.00 5.01 H new ATOM 0 HD22 ASN A 93 12.141 11.940 -20.867 1.00 5.01 H new ATOM 1499 N ALA A 94 14.479 13.753 -17.990 1.00 65.22 N ATOM 1500 CA ALA A 94 13.770 14.536 -16.986 1.00 43.33 C ATOM 1501 C ALA A 94 14.371 14.326 -15.601 1.00 2.23 C ATOM 1502 O ALA A 94 15.098 15.179 -15.093 1.00 43.15 O ATOM 1503 CB ALA A 94 12.292 14.176 -16.983 1.00 21.31 C ATOM 0 H ALA A 94 14.780 12.832 -17.671 1.00 65.22 H new ATOM 0 HA ALA A 94 13.875 15.590 -17.242 1.00 43.33 H new ATOM 0 HB1 ALA A 94 11.775 14.768 -16.228 1.00 21.31 H new ATOM 0 HB2 ALA A 94 11.865 14.385 -17.964 1.00 21.31 H new ATOM 0 HB3 ALA A 94 12.176 13.116 -16.755 1.00 21.31 H new ATOM 1509 N ASN A 95 14.062 13.185 -14.993 1.00 52.23 N ATOM 1510 CA ASN A 95 14.571 12.864 -13.665 1.00 32.11 C ATOM 1511 C ASN A 95 14.071 11.497 -13.207 1.00 12.34 C ATOM 1512 O ASN A 95 13.132 11.401 -12.416 1.00 2.35 O ATOM 1513 CB ASN A 95 14.147 13.938 -12.660 1.00 64.54 C ATOM 1514 CG ASN A 95 15.277 14.892 -12.324 1.00 54.32 C ATOM 1515 OD1 ASN A 95 16.449 14.517 -12.347 1.00 50.44 O ATOM 1516 ND2 ASN A 95 14.927 16.134 -12.009 1.00 41.12 N ATOM 0 H ASN A 95 13.462 12.467 -15.399 1.00 52.23 H new ATOM 0 HA ASN A 95 15.659 12.834 -13.717 1.00 32.11 H new ATOM 0 HB2 ASN A 95 13.308 14.502 -13.067 1.00 64.54 H new ATOM 0 HB3 ASN A 95 13.796 13.459 -11.746 1.00 64.54 H new ATOM 0 HD21 ASN A 95 15.643 16.821 -11.773 1.00 41.12 H new ATOM 0 HD22 ASN A 95 13.942 16.400 -12.003 1.00 41.12 H new ATOM 1523 N TYR A 96 14.704 10.443 -13.708 1.00 44.14 N ATOM 1524 CA TYR A 96 14.323 9.082 -13.352 1.00 62.43 C ATOM 1525 C TYR A 96 12.825 8.867 -13.547 1.00 24.44 C ATOM 1526 O TYR A 96 12.034 9.061 -12.624 1.00 10.51 O ATOM 1527 CB TYR A 96 14.708 8.784 -11.902 1.00 45.41 C ATOM 1528 CG TYR A 96 16.103 9.242 -11.540 1.00 65.13 C ATOM 1529 CD1 TYR A 96 17.205 8.829 -12.280 1.00 52.12 C ATOM 1530 CD2 TYR A 96 16.320 10.086 -10.458 1.00 65.03 C ATOM 1531 CE1 TYR A 96 18.481 9.244 -11.953 1.00 63.21 C ATOM 1532 CE2 TYR A 96 17.593 10.507 -10.125 1.00 22.12 C ATOM 1533 CZ TYR A 96 18.670 10.083 -10.875 1.00 3.11 C ATOM 1534 OH TYR A 96 19.940 10.499 -10.545 1.00 52.01 O ATOM 0 H TYR A 96 15.484 10.505 -14.362 1.00 44.14 H new ATOM 0 HA TYR A 96 14.859 8.398 -14.010 1.00 62.43 H new ATOM 0 HB2 TYR A 96 13.992 9.268 -11.238 1.00 45.41 H new ATOM 0 HB3 TYR A 96 14.630 7.711 -11.727 1.00 45.41 H new ATOM 0 HD1 TYR A 96 17.061 8.172 -13.125 1.00 52.12 H new ATOM 0 HD2 TYR A 96 15.479 10.419 -9.867 1.00 65.03 H new ATOM 0 HE1 TYR A 96 19.326 8.913 -12.538 1.00 63.21 H new ATOM 0 HE2 TYR A 96 17.744 11.165 -9.282 1.00 22.12 H new ATOM 0 HH TYR A 96 19.899 11.087 -9.762 1.00 52.01 H new ATOM 1544 N ASP A 97 12.444 8.463 -14.753 1.00 41.15 N ATOM 1545 CA ASP A 97 11.042 8.219 -15.071 1.00 13.35 C ATOM 1546 C ASP A 97 10.734 6.725 -15.058 1.00 54.30 C ATOM 1547 O ASP A 97 10.317 6.158 -16.068 1.00 44.12 O ATOM 1548 CB ASP A 97 10.695 8.813 -16.437 1.00 20.31 C ATOM 1549 CG ASP A 97 10.303 10.275 -16.351 1.00 33.45 C ATOM 1550 OD1 ASP A 97 9.275 10.576 -15.708 1.00 60.45 O ATOM 1551 OD2 ASP A 97 11.023 11.118 -16.926 1.00 31.52 O ATOM 0 H ASP A 97 13.087 8.297 -15.527 1.00 41.15 H new ATOM 0 HA ASP A 97 10.432 8.704 -14.308 1.00 13.35 H new ATOM 0 HB2 ASP A 97 11.551 8.708 -17.103 1.00 20.31 H new ATOM 0 HB3 ASP A 97 9.876 8.246 -16.879 1.00 20.31 H new ATOM 1556 N VAL A 98 10.942 6.093 -13.908 1.00 30.25 N ATOM 1557 CA VAL A 98 10.687 4.665 -13.763 1.00 74.41 C ATOM 1558 C VAL A 98 9.860 4.378 -12.515 1.00 31.33 C ATOM 1559 O VAL A 98 10.008 5.048 -11.494 1.00 13.45 O ATOM 1560 CB VAL A 98 12.000 3.864 -13.691 1.00 5.14 C ATOM 1561 CG1 VAL A 98 12.870 4.154 -14.905 1.00 30.54 C ATOM 1562 CG2 VAL A 98 12.746 4.180 -12.403 1.00 1.11 C ATOM 0 H VAL A 98 11.287 6.548 -13.062 1.00 30.25 H new ATOM 0 HA VAL A 98 10.128 4.353 -14.645 1.00 74.41 H new ATOM 0 HB VAL A 98 11.758 2.801 -13.693 1.00 5.14 H new ATOM 0 HG11 VAL A 98 13.793 3.579 -14.837 1.00 30.54 H new ATOM 0 HG12 VAL A 98 12.334 3.873 -15.812 1.00 30.54 H new ATOM 0 HG13 VAL A 98 13.106 5.218 -14.938 1.00 30.54 H new ATOM 0 HG21 VAL A 98 13.672 3.605 -12.368 1.00 1.11 H new ATOM 0 HG22 VAL A 98 12.978 5.244 -12.369 1.00 1.11 H new ATOM 0 HG23 VAL A 98 12.123 3.917 -11.548 1.00 1.11 H new ATOM 1572 N GLN A 99 8.990 3.377 -12.605 1.00 24.43 N ATOM 1573 CA GLN A 99 8.140 3.001 -11.482 1.00 14.14 C ATOM 1574 C GLN A 99 8.184 1.495 -11.245 1.00 55.01 C ATOM 1575 O GLN A 99 8.282 0.711 -12.189 1.00 52.35 O ATOM 1576 CB GLN A 99 6.699 3.448 -11.734 1.00 73.23 C ATOM 1577 CG GLN A 99 5.776 3.225 -10.547 1.00 53.41 C ATOM 1578 CD GLN A 99 4.607 2.318 -10.878 1.00 51.54 C ATOM 1579 OE1 GLN A 99 4.895 1.192 -11.520 1.00 73.33 O flip ATOM 1580 NE2 GLN A 99 3.458 2.627 -10.561 1.00 14.00 N flip ATOM 0 H GLN A 99 8.856 2.812 -13.444 1.00 24.43 H new ATOM 0 HA GLN A 99 8.518 3.501 -10.590 1.00 14.14 H new ATOM 0 HB2 GLN A 99 6.696 4.507 -11.992 1.00 73.23 H new ATOM 0 HB3 GLN A 99 6.306 2.909 -12.596 1.00 73.23 H new ATOM 0 HG2 GLN A 99 6.346 2.791 -9.725 1.00 53.41 H new ATOM 0 HG3 GLN A 99 5.398 4.187 -10.200 1.00 53.41 H new ATOM 0 HE21 GLN A 99 3.283 3.503 -10.068 1.00 14.00 H new ATOM 0 HE22 GLN A 99 2.681 2.007 -10.791 1.00 14.00 H new ATOM 1589 N ARG A 100 8.111 1.097 -9.979 1.00 55.41 N ATOM 1590 CA ARG A 100 8.144 -0.315 -9.619 1.00 14.13 C ATOM 1591 C ARG A 100 6.997 -0.662 -8.673 1.00 5.40 C ATOM 1592 O ARG A 100 6.670 0.108 -7.769 1.00 71.23 O ATOM 1593 CB ARG A 100 9.482 -0.665 -8.965 1.00 72.25 C ATOM 1594 CG ARG A 100 9.654 -2.150 -8.689 1.00 2.35 C ATOM 1595 CD ARG A 100 9.863 -2.419 -7.207 1.00 21.34 C ATOM 1596 NE ARG A 100 8.648 -2.185 -6.431 1.00 50.20 N ATOM 1597 CZ ARG A 100 8.642 -1.980 -5.118 1.00 71.45 C ATOM 1598 NH1 ARG A 100 9.780 -1.981 -4.439 1.00 23.42 N ATOM 1599 NH2 ARG A 100 7.495 -1.774 -4.483 1.00 63.03 N ATOM 0 H ARG A 100 8.029 1.733 -9.186 1.00 55.41 H new ATOM 0 HA ARG A 100 8.029 -0.900 -10.532 1.00 14.13 H new ATOM 0 HB2 ARG A 100 10.292 -0.328 -9.612 1.00 72.25 H new ATOM 0 HB3 ARG A 100 9.573 -0.117 -8.027 1.00 72.25 H new ATOM 0 HG2 ARG A 100 8.774 -2.691 -9.038 1.00 2.35 H new ATOM 0 HG3 ARG A 100 10.506 -2.530 -9.253 1.00 2.35 H new ATOM 0 HD2 ARG A 100 10.189 -3.450 -7.068 1.00 21.34 H new ATOM 0 HD3 ARG A 100 10.662 -1.779 -6.832 1.00 21.34 H new ATOM 0 HE ARG A 100 7.755 -2.179 -6.924 1.00 50.20 H new ATOM 0 HH11 ARG A 100 10.663 -2.139 -4.924 1.00 23.42 H new ATOM 0 HH12 ARG A 100 9.773 -1.823 -3.431 1.00 23.42 H new ATOM 0 HH21 ARG A 100 6.617 -1.773 -5.003 1.00 63.03 H new ATOM 0 HH22 ARG A 100 7.491 -1.617 -3.475 1.00 63.03 H new ATOM 1613 N PHE A 101 6.391 -1.824 -8.888 1.00 22.53 N ATOM 1614 CA PHE A 101 5.281 -2.273 -8.056 1.00 14.32 C ATOM 1615 C PHE A 101 5.244 -3.796 -7.972 1.00 3.13 C ATOM 1616 O PHE A 101 5.428 -4.488 -8.973 1.00 42.25 O ATOM 1617 CB PHE A 101 3.955 -1.750 -8.613 1.00 11.33 C ATOM 1618 CG PHE A 101 2.863 -1.669 -7.585 1.00 31.24 C ATOM 1619 CD1 PHE A 101 3.035 -0.924 -6.429 1.00 74.11 C ATOM 1620 CD2 PHE A 101 1.665 -2.339 -7.773 1.00 72.24 C ATOM 1621 CE1 PHE A 101 2.032 -0.848 -5.481 1.00 55.42 C ATOM 1622 CE2 PHE A 101 0.658 -2.266 -6.829 1.00 62.13 C ATOM 1623 CZ PHE A 101 0.842 -1.520 -5.681 1.00 62.52 C ATOM 0 H PHE A 101 6.650 -2.472 -9.632 1.00 22.53 H new ATOM 0 HA PHE A 101 5.429 -1.875 -7.052 1.00 14.32 H new ATOM 0 HB2 PHE A 101 4.115 -0.760 -9.040 1.00 11.33 H new ATOM 0 HB3 PHE A 101 3.630 -2.399 -9.426 1.00 11.33 H new ATOM 0 HD1 PHE A 101 3.964 -0.397 -6.267 1.00 74.11 H new ATOM 0 HD2 PHE A 101 1.516 -2.925 -8.668 1.00 72.24 H new ATOM 0 HE1 PHE A 101 2.179 -0.264 -4.585 1.00 55.42 H new ATOM 0 HE2 PHE A 101 -0.272 -2.792 -6.989 1.00 62.13 H new ATOM 0 HZ PHE A 101 0.057 -1.462 -4.941 1.00 62.52 H new ATOM 1633 N ILE A 102 5.007 -4.310 -6.770 1.00 35.51 N ATOM 1634 CA ILE A 102 4.946 -5.751 -6.555 1.00 14.23 C ATOM 1635 C ILE A 102 3.779 -6.122 -5.645 1.00 50.15 C ATOM 1636 O ILE A 102 3.679 -5.640 -4.517 1.00 43.42 O ATOM 1637 CB ILE A 102 6.252 -6.284 -5.938 1.00 3.42 C ATOM 1638 CG1 ILE A 102 6.679 -5.408 -4.757 1.00 74.44 C ATOM 1639 CG2 ILE A 102 7.351 -6.337 -6.989 1.00 10.12 C ATOM 1640 CD1 ILE A 102 7.964 -5.862 -4.102 1.00 31.42 C ATOM 0 H ILE A 102 4.854 -3.751 -5.931 1.00 35.51 H new ATOM 0 HA ILE A 102 4.802 -6.210 -7.533 1.00 14.23 H new ATOM 0 HB ILE A 102 6.077 -7.295 -5.571 1.00 3.42 H new ATOM 0 HG12 ILE A 102 6.799 -4.381 -5.102 1.00 74.44 H new ATOM 0 HG13 ILE A 102 5.883 -5.403 -4.012 1.00 74.44 H new ATOM 0 HG21 ILE A 102 8.268 -6.716 -6.538 1.00 10.12 H new ATOM 0 HG22 ILE A 102 7.046 -6.997 -7.801 1.00 10.12 H new ATOM 0 HG23 ILE A 102 7.527 -5.336 -7.382 1.00 10.12 H new ATOM 0 HD11 ILE A 102 8.205 -5.196 -3.274 1.00 31.42 H new ATOM 0 HD12 ILE A 102 7.842 -6.878 -3.727 1.00 31.42 H new ATOM 0 HD13 ILE A 102 8.772 -5.840 -4.833 1.00 31.42 H new ATOM 1652 N VAL A 103 2.898 -6.984 -6.144 1.00 3.11 N ATOM 1653 CA VAL A 103 1.739 -7.423 -5.376 1.00 4.13 C ATOM 1654 C VAL A 103 1.324 -8.836 -5.767 1.00 72.45 C ATOM 1655 O VAL A 103 1.360 -9.203 -6.941 1.00 41.44 O ATOM 1656 CB VAL A 103 0.542 -6.474 -5.574 1.00 64.11 C ATOM 1657 CG1 VAL A 103 -0.666 -6.968 -4.794 1.00 31.43 C ATOM 1658 CG2 VAL A 103 0.912 -5.058 -5.160 1.00 54.43 C ATOM 0 H VAL A 103 2.965 -7.392 -7.077 1.00 3.11 H new ATOM 0 HA VAL A 103 2.032 -7.411 -4.326 1.00 4.13 H new ATOM 0 HB VAL A 103 0.280 -6.462 -6.632 1.00 64.11 H new ATOM 0 HG11 VAL A 103 -1.502 -6.285 -4.946 1.00 31.43 H new ATOM 0 HG12 VAL A 103 -0.942 -7.963 -5.143 1.00 31.43 H new ATOM 0 HG13 VAL A 103 -0.421 -7.011 -3.733 1.00 31.43 H new ATOM 0 HG21 VAL A 103 0.055 -4.400 -5.306 1.00 54.43 H new ATOM 0 HG22 VAL A 103 1.200 -5.050 -4.109 1.00 54.43 H new ATOM 0 HG23 VAL A 103 1.746 -4.707 -5.768 1.00 54.43 H new ATOM 1668 N GLY A 104 0.928 -9.628 -4.775 1.00 11.31 N ATOM 1669 CA GLY A 104 0.510 -10.993 -5.036 1.00 4.20 C ATOM 1670 C GLY A 104 1.666 -11.884 -5.448 1.00 15.22 C ATOM 1671 O GLY A 104 2.777 -11.747 -4.936 1.00 52.24 O ATOM 0 H GLY A 104 0.889 -9.348 -3.795 1.00 11.31 H new ATOM 0 HA2 GLY A 104 0.040 -11.403 -4.142 1.00 4.20 H new ATOM 0 HA3 GLY A 104 -0.245 -10.995 -5.823 1.00 4.20 H new ATOM 1675 N SER A 105 1.403 -12.801 -6.374 1.00 11.43 N ATOM 1676 CA SER A 105 2.428 -13.722 -6.850 1.00 2.51 C ATOM 1677 C SER A 105 3.033 -13.230 -8.161 1.00 43.14 C ATOM 1678 O SER A 105 3.856 -13.912 -8.772 1.00 70.15 O ATOM 1679 CB SER A 105 1.839 -15.120 -7.040 1.00 33.52 C ATOM 1680 OG SER A 105 0.993 -15.469 -5.957 1.00 43.13 O ATOM 0 H SER A 105 0.489 -12.926 -6.809 1.00 11.43 H new ATOM 0 HA SER A 105 3.217 -13.768 -6.100 1.00 2.51 H new ATOM 0 HB2 SER A 105 1.275 -15.157 -7.972 1.00 33.52 H new ATOM 0 HB3 SER A 105 2.645 -15.849 -7.126 1.00 33.52 H new ATOM 0 HG SER A 105 0.628 -16.367 -6.103 1.00 43.13 H new ATOM 1686 N ASP A 106 2.619 -12.042 -8.588 1.00 5.34 N ATOM 1687 CA ASP A 106 3.120 -11.457 -9.826 1.00 4.41 C ATOM 1688 C ASP A 106 3.722 -10.078 -9.571 1.00 61.21 C ATOM 1689 O ASP A 106 3.250 -9.333 -8.712 1.00 52.05 O ATOM 1690 CB ASP A 106 1.996 -11.353 -10.857 1.00 71.25 C ATOM 1691 CG ASP A 106 0.757 -10.681 -10.298 1.00 63.33 C ATOM 1692 OD1 ASP A 106 0.789 -9.449 -10.099 1.00 41.42 O ATOM 1693 OD2 ASP A 106 -0.244 -11.388 -10.061 1.00 13.14 O ATOM 0 H ASP A 106 1.938 -11.465 -8.095 1.00 5.34 H new ATOM 0 HA ASP A 106 3.902 -12.109 -10.216 1.00 4.41 H new ATOM 0 HB2 ASP A 106 2.351 -10.792 -11.722 1.00 71.25 H new ATOM 0 HB3 ASP A 106 1.737 -12.351 -11.209 1.00 71.25 H new ATOM 1698 N ARG A 107 4.767 -9.746 -10.322 1.00 24.52 N ATOM 1699 CA ARG A 107 5.435 -8.459 -10.176 1.00 2.24 C ATOM 1700 C ARG A 107 5.472 -7.711 -11.505 1.00 71.24 C ATOM 1701 O ARG A 107 5.596 -8.320 -12.568 1.00 15.03 O ATOM 1702 CB ARG A 107 6.858 -8.655 -9.649 1.00 61.02 C ATOM 1703 CG ARG A 107 6.915 -9.283 -8.266 1.00 54.21 C ATOM 1704 CD ARG A 107 8.340 -9.347 -7.741 1.00 65.35 C ATOM 1705 NE ARG A 107 8.384 -9.428 -6.284 1.00 3.11 N ATOM 1706 CZ ARG A 107 7.998 -10.496 -5.595 1.00 70.01 C ATOM 1707 NH1 ARG A 107 7.542 -11.568 -6.228 1.00 50.02 N ATOM 1708 NH2 ARG A 107 8.068 -10.493 -4.270 1.00 71.30 N ATOM 0 H ARG A 107 5.169 -10.351 -11.038 1.00 24.52 H new ATOM 0 HA ARG A 107 4.868 -7.864 -9.460 1.00 2.24 H new ATOM 0 HB2 ARG A 107 7.411 -9.283 -10.347 1.00 61.02 H new ATOM 0 HB3 ARG A 107 7.362 -7.689 -9.621 1.00 61.02 H new ATOM 0 HG2 ARG A 107 6.298 -8.705 -7.577 1.00 54.21 H new ATOM 0 HG3 ARG A 107 6.495 -10.288 -8.304 1.00 54.21 H new ATOM 0 HD2 ARG A 107 8.845 -10.214 -8.167 1.00 65.35 H new ATOM 0 HD3 ARG A 107 8.888 -8.465 -8.072 1.00 65.35 H new ATOM 0 HE ARG A 107 8.730 -8.620 -5.767 1.00 3.11 H new ATOM 0 HH11 ARG A 107 7.487 -11.574 -7.246 1.00 50.02 H new ATOM 0 HH12 ARG A 107 7.246 -12.387 -5.696 1.00 50.02 H new ATOM 0 HH21 ARG A 107 8.418 -9.670 -3.780 1.00 71.30 H new ATOM 0 HH22 ARG A 107 7.771 -11.314 -3.742 1.00 71.30 H new ATOM 1722 N ALA A 108 5.363 -6.388 -11.438 1.00 30.41 N ATOM 1723 CA ALA A 108 5.385 -5.558 -12.636 1.00 22.04 C ATOM 1724 C ALA A 108 6.488 -4.508 -12.555 1.00 40.11 C ATOM 1725 O ALA A 108 6.785 -3.988 -11.479 1.00 42.33 O ATOM 1726 CB ALA A 108 4.033 -4.891 -12.841 1.00 30.42 C ATOM 0 H ALA A 108 5.259 -5.868 -10.567 1.00 30.41 H new ATOM 0 HA ALA A 108 5.593 -6.202 -13.491 1.00 22.04 H new ATOM 0 HB1 ALA A 108 4.064 -4.274 -13.739 1.00 30.42 H new ATOM 0 HB2 ALA A 108 3.263 -5.655 -12.952 1.00 30.42 H new ATOM 0 HB3 ALA A 108 3.802 -4.265 -11.979 1.00 30.42 H new ATOM 1732 N ILE A 109 7.091 -4.202 -13.699 1.00 4.54 N ATOM 1733 CA ILE A 109 8.161 -3.213 -13.756 1.00 61.14 C ATOM 1734 C ILE A 109 7.904 -2.188 -14.856 1.00 33.22 C ATOM 1735 O ILE A 109 7.369 -2.518 -15.914 1.00 72.44 O ATOM 1736 CB ILE A 109 9.529 -3.878 -14.000 1.00 0.54 C ATOM 1737 CG1 ILE A 109 10.651 -2.844 -13.879 1.00 30.21 C ATOM 1738 CG2 ILE A 109 9.559 -4.543 -15.367 1.00 40.25 C ATOM 1739 CD1 ILE A 109 11.033 -2.210 -15.198 1.00 53.10 C ATOM 0 H ILE A 109 6.857 -4.624 -14.598 1.00 4.54 H new ATOM 0 HA ILE A 109 8.177 -2.709 -12.789 1.00 61.14 H new ATOM 0 HB ILE A 109 9.684 -4.646 -13.242 1.00 0.54 H new ATOM 0 HG12 ILE A 109 10.340 -2.062 -13.186 1.00 30.21 H new ATOM 0 HG13 ILE A 109 11.530 -3.322 -13.447 1.00 30.21 H new ATOM 0 HG21 ILE A 109 10.532 -5.008 -15.524 1.00 40.25 H new ATOM 0 HG22 ILE A 109 8.780 -5.304 -15.419 1.00 40.25 H new ATOM 0 HG23 ILE A 109 9.386 -3.794 -16.140 1.00 40.25 H new ATOM 0 HD11 ILE A 109 11.833 -1.488 -15.036 1.00 53.10 H new ATOM 0 HD12 ILE A 109 11.375 -2.982 -15.887 1.00 53.10 H new ATOM 0 HD13 ILE A 109 10.167 -1.702 -15.622 1.00 53.10 H new ATOM 1751 N PHE A 110 8.290 -0.943 -14.598 1.00 54.14 N ATOM 1752 CA PHE A 110 8.102 0.131 -15.566 1.00 53.35 C ATOM 1753 C PHE A 110 9.312 1.060 -15.590 1.00 41.11 C ATOM 1754 O PHE A 110 9.722 1.589 -14.557 1.00 50.13 O ATOM 1755 CB PHE A 110 6.839 0.929 -15.236 1.00 13.32 C ATOM 1756 CG PHE A 110 6.632 2.121 -16.127 1.00 21.23 C ATOM 1757 CD1 PHE A 110 5.912 2.005 -17.305 1.00 11.14 C ATOM 1758 CD2 PHE A 110 7.159 3.356 -15.786 1.00 54.44 C ATOM 1759 CE1 PHE A 110 5.719 3.100 -18.127 1.00 25.44 C ATOM 1760 CE2 PHE A 110 6.969 4.454 -16.604 1.00 41.50 C ATOM 1761 CZ PHE A 110 6.250 4.326 -17.776 1.00 72.31 C ATOM 0 H PHE A 110 8.735 -0.653 -13.727 1.00 54.14 H new ATOM 0 HA PHE A 110 7.992 -0.319 -16.553 1.00 53.35 H new ATOM 0 HB2 PHE A 110 5.973 0.272 -15.315 1.00 13.32 H new ATOM 0 HB3 PHE A 110 6.891 1.265 -14.200 1.00 13.32 H new ATOM 0 HD1 PHE A 110 5.497 1.048 -17.585 1.00 11.14 H new ATOM 0 HD2 PHE A 110 7.724 3.462 -14.872 1.00 54.44 H new ATOM 0 HE1 PHE A 110 5.154 2.997 -19.042 1.00 25.44 H new ATOM 0 HE2 PHE A 110 7.383 5.412 -16.326 1.00 41.50 H new ATOM 0 HZ PHE A 110 6.103 5.183 -18.417 1.00 72.31 H new ATOM 1771 N MET A 111 9.880 1.253 -16.776 1.00 74.43 N ATOM 1772 CA MET A 111 11.043 2.118 -16.935 1.00 73.22 C ATOM 1773 C MET A 111 11.042 2.783 -18.308 1.00 11.22 C ATOM 1774 O MET A 111 11.043 2.106 -19.337 1.00 54.41 O ATOM 1775 CB MET A 111 12.331 1.316 -16.745 1.00 65.52 C ATOM 1776 CG MET A 111 12.486 0.171 -17.734 1.00 3.23 C ATOM 1777 SD MET A 111 13.867 -0.915 -17.328 1.00 33.43 S ATOM 1778 CE MET A 111 15.020 -0.500 -18.633 1.00 42.53 C ATOM 0 H MET A 111 9.554 0.822 -17.641 1.00 74.43 H new ATOM 0 HA MET A 111 10.993 2.897 -16.174 1.00 73.22 H new ATOM 0 HB2 MET A 111 13.185 1.987 -16.842 1.00 65.52 H new ATOM 0 HB3 MET A 111 12.354 0.915 -15.732 1.00 65.52 H new ATOM 0 HG2 MET A 111 11.565 -0.412 -17.757 1.00 3.23 H new ATOM 0 HG3 MET A 111 12.631 0.578 -18.735 1.00 3.23 H new ATOM 0 HE1 MET A 111 15.213 -1.383 -19.242 1.00 42.53 H new ATOM 0 HE2 MET A 111 14.595 0.286 -19.257 1.00 42.53 H new ATOM 0 HE3 MET A 111 15.955 -0.150 -18.195 1.00 42.53 H new ATOM 1788 N LEU A 112 11.040 4.112 -18.316 1.00 70.53 N ATOM 1789 CA LEU A 112 11.039 4.869 -19.563 1.00 72.22 C ATOM 1790 C LEU A 112 11.745 6.209 -19.387 1.00 1.20 C ATOM 1791 O LEU A 112 11.739 6.787 -18.300 1.00 25.33 O ATOM 1792 CB LEU A 112 9.604 5.095 -20.044 1.00 64.53 C ATOM 1793 CG LEU A 112 9.297 4.646 -21.474 1.00 5.14 C ATOM 1794 CD1 LEU A 112 10.042 5.513 -22.477 1.00 5.13 C ATOM 1795 CD2 LEU A 112 9.658 3.180 -21.662 1.00 23.24 C ATOM 0 H LEU A 112 11.039 4.687 -17.474 1.00 70.53 H new ATOM 0 HA LEU A 112 11.580 4.290 -20.311 1.00 72.22 H new ATOM 0 HB2 LEU A 112 8.928 4.572 -19.367 1.00 64.53 H new ATOM 0 HB3 LEU A 112 9.378 6.158 -19.962 1.00 64.53 H new ATOM 0 HG LEU A 112 8.227 4.761 -21.649 1.00 5.14 H new ATOM 0 HD11 LEU A 112 9.812 5.179 -23.489 1.00 5.13 H new ATOM 0 HD12 LEU A 112 9.734 6.552 -22.359 1.00 5.13 H new ATOM 0 HD13 LEU A 112 11.115 5.430 -22.303 1.00 5.13 H new ATOM 0 HD21 LEU A 112 9.433 2.878 -22.685 1.00 23.24 H new ATOM 0 HD22 LEU A 112 10.721 3.039 -21.468 1.00 23.24 H new ATOM 0 HD23 LEU A 112 9.079 2.571 -20.968 1.00 23.24 H new ATOM 1807 N ARG A 113 12.351 6.699 -20.464 1.00 15.22 N ATOM 1808 CA ARG A 113 13.060 7.972 -20.428 1.00 42.23 C ATOM 1809 C ARG A 113 12.081 9.138 -20.320 1.00 22.44 C ATOM 1810 O ARG A 113 12.380 10.156 -19.696 1.00 42.44 O ATOM 1811 CB ARG A 113 13.925 8.134 -21.680 1.00 74.41 C ATOM 1812 CG ARG A 113 13.146 8.003 -22.979 1.00 11.31 C ATOM 1813 CD ARG A 113 12.762 9.365 -23.537 1.00 62.33 C ATOM 1814 NE ARG A 113 12.614 9.339 -24.990 1.00 62.50 N ATOM 1815 CZ ARG A 113 11.637 8.694 -25.618 1.00 12.13 C ATOM 1816 NH1 ARG A 113 10.726 8.027 -24.923 1.00 74.44 N ATOM 1817 NH2 ARG A 113 11.569 8.717 -26.943 1.00 2.13 N ATOM 0 H ARG A 113 12.365 6.234 -21.372 1.00 15.22 H new ATOM 0 HA ARG A 113 13.702 7.976 -19.547 1.00 42.23 H new ATOM 0 HB2 ARG A 113 14.409 9.110 -21.653 1.00 74.41 H new ATOM 0 HB3 ARG A 113 14.717 7.385 -21.664 1.00 74.41 H new ATOM 0 HG2 ARG A 113 13.746 7.464 -23.712 1.00 11.31 H new ATOM 0 HG3 ARG A 113 12.246 7.412 -22.807 1.00 11.31 H new ATOM 0 HD2 ARG A 113 11.827 9.692 -23.083 1.00 62.33 H new ATOM 0 HD3 ARG A 113 13.522 10.097 -23.263 1.00 62.33 H new ATOM 0 HE ARG A 113 13.298 9.844 -25.553 1.00 62.50 H new ATOM 0 HH11 ARG A 113 10.774 8.008 -23.904 1.00 74.44 H new ATOM 0 HH12 ARG A 113 9.977 7.532 -25.407 1.00 74.44 H new ATOM 0 HH21 ARG A 113 12.267 9.230 -27.481 1.00 2.13 H new ATOM 0 HH22 ARG A 113 10.818 8.221 -27.424 1.00 2.13 H new ATOM 1831 N ASP A 114 10.912 8.980 -20.930 1.00 50.11 N ATOM 1832 CA ASP A 114 9.889 10.019 -20.902 1.00 35.53 C ATOM 1833 C ASP A 114 9.105 9.974 -19.593 1.00 63.14 C ATOM 1834 O ASP A 114 9.132 10.922 -18.809 1.00 60.45 O ATOM 1835 CB ASP A 114 8.935 9.858 -22.087 1.00 23.50 C ATOM 1836 CG ASP A 114 9.044 11.001 -23.077 1.00 23.50 C ATOM 1837 OD1 ASP A 114 10.131 11.172 -23.668 1.00 50.15 O ATOM 1838 OD2 ASP A 114 8.043 11.723 -23.261 1.00 12.01 O ATOM 0 H ASP A 114 10.649 8.143 -21.450 1.00 50.11 H new ATOM 0 HA ASP A 114 10.386 10.986 -20.975 1.00 35.53 H new ATOM 0 HB2 ASP A 114 9.148 8.918 -22.596 1.00 23.50 H new ATOM 0 HB3 ASP A 114 7.911 9.796 -21.719 1.00 23.50 H new ATOM 1843 N GLY A 115 8.407 8.866 -19.365 1.00 31.31 N ATOM 1844 CA GLY A 115 7.625 8.719 -18.151 1.00 72.33 C ATOM 1845 C GLY A 115 6.165 9.073 -18.356 1.00 3.44 C ATOM 1846 O GLY A 115 5.338 8.200 -18.617 1.00 50.30 O ATOM 0 H GLY A 115 8.369 8.068 -19.999 1.00 31.31 H new ATOM 0 HA2 GLY A 115 7.700 7.691 -17.796 1.00 72.33 H new ATOM 0 HA3 GLY A 115 8.045 9.356 -17.373 1.00 72.33 H new ATOM 1850 N SER A 116 5.848 10.358 -18.235 1.00 13.54 N ATOM 1851 CA SER A 116 4.477 10.826 -18.402 1.00 53.03 C ATOM 1852 C SER A 116 3.892 10.333 -19.723 1.00 5.42 C ATOM 1853 O SER A 116 2.851 9.677 -19.747 1.00 62.13 O ATOM 1854 CB SER A 116 4.426 12.354 -18.348 1.00 4.12 C ATOM 1855 OG SER A 116 3.193 12.805 -17.816 1.00 53.11 O ATOM 0 H SER A 116 6.522 11.094 -18.022 1.00 13.54 H new ATOM 0 HA SER A 116 3.879 10.421 -17.585 1.00 53.03 H new ATOM 0 HB2 SER A 116 5.248 12.727 -17.736 1.00 4.12 H new ATOM 0 HB3 SER A 116 4.564 12.761 -19.350 1.00 4.12 H new ATOM 0 HG SER A 116 3.186 13.785 -17.791 1.00 53.11 H new ATOM 1861 N TYR A 117 4.570 10.655 -20.819 1.00 4.32 N ATOM 1862 CA TYR A 117 4.118 10.248 -22.144 1.00 45.51 C ATOM 1863 C TYR A 117 3.925 8.737 -22.214 1.00 25.35 C ATOM 1864 O TYR A 117 2.992 8.247 -22.849 1.00 44.55 O ATOM 1865 CB TYR A 117 5.123 10.695 -23.208 1.00 30.03 C ATOM 1866 CG TYR A 117 4.476 11.266 -24.450 1.00 23.43 C ATOM 1867 CD1 TYR A 117 4.105 12.603 -24.512 1.00 30.12 C ATOM 1868 CD2 TYR A 117 4.238 10.467 -25.562 1.00 14.14 C ATOM 1869 CE1 TYR A 117 3.513 13.128 -25.644 1.00 42.02 C ATOM 1870 CE2 TYR A 117 3.648 10.984 -26.699 1.00 14.12 C ATOM 1871 CZ TYR A 117 3.287 12.315 -26.735 1.00 72.20 C ATOM 1872 OH TYR A 117 2.699 12.835 -27.865 1.00 71.54 O ATOM 0 H TYR A 117 5.434 11.197 -20.816 1.00 4.32 H new ATOM 0 HA TYR A 117 3.158 10.727 -22.336 1.00 45.51 H new ATOM 0 HB2 TYR A 117 5.787 11.445 -22.777 1.00 30.03 H new ATOM 0 HB3 TYR A 117 5.743 9.844 -23.490 1.00 30.03 H new ATOM 0 HD1 TYR A 117 4.282 13.243 -23.660 1.00 30.12 H new ATOM 0 HD2 TYR A 117 4.519 9.425 -25.537 1.00 14.14 H new ATOM 0 HE1 TYR A 117 3.229 14.169 -25.675 1.00 42.02 H new ATOM 0 HE2 TYR A 117 3.470 10.350 -27.555 1.00 14.12 H new ATOM 0 HH TYR A 117 2.612 12.132 -28.542 1.00 71.54 H new ATOM 1882 N ALA A 118 4.815 8.002 -21.554 1.00 1.34 N ATOM 1883 CA ALA A 118 4.742 6.547 -21.537 1.00 64.42 C ATOM 1884 C ALA A 118 3.549 6.066 -20.718 1.00 64.31 C ATOM 1885 O ALA A 118 2.950 5.035 -21.024 1.00 31.00 O ATOM 1886 CB ALA A 118 6.034 5.960 -20.987 1.00 31.10 C ATOM 0 H ALA A 118 5.595 8.391 -21.024 1.00 1.34 H new ATOM 0 HA ALA A 118 4.607 6.203 -22.562 1.00 64.42 H new ATOM 0 HB1 ALA A 118 5.965 4.872 -20.980 1.00 31.10 H new ATOM 0 HB2 ALA A 118 6.870 6.267 -21.616 1.00 31.10 H new ATOM 0 HB3 ALA A 118 6.193 6.320 -19.971 1.00 31.10 H new ATOM 1892 N TRP A 119 3.211 6.817 -19.677 1.00 3.50 N ATOM 1893 CA TRP A 119 2.090 6.467 -18.813 1.00 74.52 C ATOM 1894 C TRP A 119 0.828 6.221 -19.633 1.00 33.43 C ATOM 1895 O TRP A 119 -0.001 5.384 -19.276 1.00 22.12 O ATOM 1896 CB TRP A 119 1.840 7.576 -17.790 1.00 43.14 C ATOM 1897 CG TRP A 119 0.788 7.229 -16.782 1.00 33.43 C ATOM 1898 CD1 TRP A 119 -0.560 7.159 -16.994 1.00 24.01 C ATOM 1899 CD2 TRP A 119 0.996 6.905 -15.403 1.00 11.35 C ATOM 1900 NE1 TRP A 119 -1.202 6.812 -15.830 1.00 24.14 N ATOM 1901 CE2 TRP A 119 -0.270 6.650 -14.839 1.00 24.20 C ATOM 1902 CE3 TRP A 119 2.128 6.805 -14.589 1.00 71.34 C ATOM 1903 CZ2 TRP A 119 -0.432 6.302 -13.501 1.00 4.15 C ATOM 1904 CZ3 TRP A 119 1.965 6.460 -13.261 1.00 64.12 C ATOM 1905 CH2 TRP A 119 0.694 6.211 -12.727 1.00 51.15 C ATOM 0 H TRP A 119 3.697 7.673 -19.410 1.00 3.50 H new ATOM 0 HA TRP A 119 2.344 5.548 -18.285 1.00 74.52 H new ATOM 0 HB2 TRP A 119 2.772 7.797 -17.270 1.00 43.14 H new ATOM 0 HB3 TRP A 119 1.544 8.484 -18.315 1.00 43.14 H new ATOM 0 HD1 TRP A 119 -1.049 7.349 -17.938 1.00 24.01 H new ATOM 0 HE1 TRP A 119 -2.209 6.694 -15.721 1.00 24.14 H new ATOM 0 HE3 TRP A 119 3.112 6.994 -14.991 1.00 71.34 H new ATOM 0 HZ2 TRP A 119 -1.411 6.110 -13.088 1.00 4.15 H new ATOM 0 HZ3 TRP A 119 2.833 6.381 -12.623 1.00 64.12 H new ATOM 0 HH2 TRP A 119 0.600 5.942 -11.685 1.00 51.15 H new ATOM 1916 N GLU A 120 0.689 6.955 -20.732 1.00 74.23 N ATOM 1917 CA GLU A 120 -0.474 6.815 -21.601 1.00 40.12 C ATOM 1918 C GLU A 120 -0.445 5.479 -22.339 1.00 2.44 C ATOM 1919 O GLU A 120 -1.438 4.752 -22.366 1.00 51.24 O ATOM 1920 CB GLU A 120 -0.526 7.965 -22.609 1.00 14.41 C ATOM 1921 CG GLU A 120 -1.794 8.799 -22.516 1.00 63.52 C ATOM 1922 CD GLU A 120 -1.877 9.856 -23.600 1.00 11.13 C ATOM 1923 OE1 GLU A 120 -1.342 10.965 -23.390 1.00 34.20 O ATOM 1924 OE2 GLU A 120 -2.477 9.574 -24.658 1.00 55.10 O ATOM 0 H GLU A 120 1.366 7.652 -21.042 1.00 74.23 H new ATOM 0 HA GLU A 120 -1.367 6.847 -20.977 1.00 40.12 H new ATOM 0 HB2 GLU A 120 0.337 8.612 -22.454 1.00 14.41 H new ATOM 0 HB3 GLU A 120 -0.442 7.558 -23.617 1.00 14.41 H new ATOM 0 HG2 GLU A 120 -2.662 8.143 -22.586 1.00 63.52 H new ATOM 0 HG3 GLU A 120 -1.837 9.281 -21.539 1.00 63.52 H new ATOM 1931 N ILE A 121 0.700 5.164 -22.935 1.00 2.34 N ATOM 1932 CA ILE A 121 0.859 3.917 -23.671 1.00 62.25 C ATOM 1933 C ILE A 121 0.796 2.714 -22.736 1.00 54.03 C ATOM 1934 O ILE A 121 -0.012 1.805 -22.930 1.00 23.22 O ATOM 1935 CB ILE A 121 2.192 3.884 -24.442 1.00 4.02 C ATOM 1936 CG1 ILE A 121 2.304 5.101 -25.363 1.00 23.40 C ATOM 1937 CG2 ILE A 121 2.311 2.595 -25.241 1.00 73.11 C ATOM 1938 CD1 ILE A 121 3.676 5.270 -25.977 1.00 25.52 C ATOM 0 H ILE A 121 1.531 5.755 -22.922 1.00 2.34 H new ATOM 0 HA ILE A 121 0.035 3.864 -24.383 1.00 62.25 H new ATOM 0 HB ILE A 121 3.011 3.919 -23.723 1.00 4.02 H new ATOM 0 HG12 ILE A 121 1.566 5.012 -26.161 1.00 23.40 H new ATOM 0 HG13 ILE A 121 2.055 5.999 -24.797 1.00 23.40 H new ATOM 0 HG21 ILE A 121 3.258 2.587 -25.780 1.00 73.11 H new ATOM 0 HG22 ILE A 121 2.272 1.742 -24.563 1.00 73.11 H new ATOM 0 HG23 ILE A 121 1.488 2.531 -25.953 1.00 73.11 H new ATOM 0 HD11 ILE A 121 3.682 6.152 -26.617 1.00 25.52 H new ATOM 0 HD12 ILE A 121 4.416 5.391 -25.186 1.00 25.52 H new ATOM 0 HD13 ILE A 121 3.920 4.389 -26.571 1.00 25.52 H new ATOM 1950 N LYS A 122 1.651 2.716 -21.720 1.00 24.01 N ATOM 1951 CA LYS A 122 1.692 1.627 -20.751 1.00 52.10 C ATOM 1952 C LYS A 122 0.316 1.397 -20.134 1.00 21.33 C ATOM 1953 O LYS A 122 -0.025 0.276 -19.754 1.00 44.22 O ATOM 1954 CB LYS A 122 2.711 1.933 -19.651 1.00 42.13 C ATOM 1955 CG LYS A 122 2.242 2.988 -18.664 1.00 24.53 C ATOM 1956 CD LYS A 122 1.560 2.360 -17.460 1.00 21.22 C ATOM 1957 CE LYS A 122 1.986 3.033 -16.164 1.00 60.11 C ATOM 1958 NZ LYS A 122 1.036 2.748 -15.053 1.00 41.40 N ATOM 0 H LYS A 122 2.326 3.461 -21.546 1.00 24.01 H new ATOM 0 HA LYS A 122 1.993 0.719 -21.274 1.00 52.10 H new ATOM 0 HB2 LYS A 122 2.935 1.014 -19.109 1.00 42.13 H new ATOM 0 HB3 LYS A 122 3.641 2.266 -20.111 1.00 42.13 H new ATOM 0 HG2 LYS A 122 3.094 3.582 -18.332 1.00 24.53 H new ATOM 0 HG3 LYS A 122 1.552 3.670 -19.160 1.00 24.53 H new ATOM 0 HD2 LYS A 122 0.478 2.436 -17.572 1.00 21.22 H new ATOM 0 HD3 LYS A 122 1.802 1.298 -17.416 1.00 21.22 H new ATOM 0 HE2 LYS A 122 2.983 2.689 -15.887 1.00 60.11 H new ATOM 0 HE3 LYS A 122 2.052 4.110 -16.319 1.00 60.11 H new ATOM 0 HZ1 LYS A 122 1.361 3.224 -14.187 1.00 41.40 H new ATOM 0 HZ2 LYS A 122 0.090 3.098 -15.306 1.00 41.40 H new ATOM 0 HZ3 LYS A 122 0.992 1.722 -14.888 1.00 41.40 H new ATOM 1972 N ASP A 123 -0.470 2.463 -20.038 1.00 12.02 N ATOM 1973 CA ASP A 123 -1.810 2.376 -19.469 1.00 52.20 C ATOM 1974 C ASP A 123 -2.614 1.265 -20.138 1.00 5.02 C ATOM 1975 O ASP A 123 -3.290 0.484 -19.468 1.00 4.01 O ATOM 1976 CB ASP A 123 -2.539 3.712 -19.621 1.00 55.00 C ATOM 1977 CG ASP A 123 -2.923 4.317 -18.285 1.00 51.51 C ATOM 1978 OD1 ASP A 123 -2.052 4.385 -17.393 1.00 33.22 O ATOM 1979 OD2 ASP A 123 -4.094 4.723 -18.132 1.00 14.24 O ATOM 0 H ASP A 123 -0.203 3.398 -20.347 1.00 12.02 H new ATOM 0 HA ASP A 123 -1.713 2.142 -18.409 1.00 52.20 H new ATOM 0 HB2 ASP A 123 -1.902 4.411 -20.163 1.00 55.00 H new ATOM 0 HB3 ASP A 123 -3.437 3.567 -20.222 1.00 55.00 H new ATOM 1984 N PHE A 124 -2.536 1.201 -21.463 1.00 25.22 N ATOM 1985 CA PHE A 124 -3.257 0.187 -22.223 1.00 21.31 C ATOM 1986 C PHE A 124 -2.656 -1.197 -21.990 1.00 54.34 C ATOM 1987 O PHE A 124 -3.365 -2.204 -22.004 1.00 71.10 O ATOM 1988 CB PHE A 124 -3.230 0.522 -23.715 1.00 51.44 C ATOM 1989 CG PHE A 124 -4.363 -0.091 -24.488 1.00 43.22 C ATOM 1990 CD1 PHE A 124 -4.395 -1.454 -24.731 1.00 30.51 C ATOM 1991 CD2 PHE A 124 -5.395 0.697 -24.972 1.00 62.24 C ATOM 1992 CE1 PHE A 124 -5.436 -2.022 -25.441 1.00 70.14 C ATOM 1993 CE2 PHE A 124 -6.438 0.135 -25.683 1.00 75.21 C ATOM 1994 CZ PHE A 124 -6.459 -1.226 -25.919 1.00 5.00 C ATOM 0 H PHE A 124 -1.981 1.839 -22.033 1.00 25.22 H new ATOM 0 HA PHE A 124 -4.291 0.178 -21.879 1.00 21.31 H new ATOM 0 HB2 PHE A 124 -3.262 1.605 -23.837 1.00 51.44 H new ATOM 0 HB3 PHE A 124 -2.285 0.181 -24.139 1.00 51.44 H new ATOM 0 HD1 PHE A 124 -3.597 -2.081 -24.361 1.00 30.51 H new ATOM 0 HD2 PHE A 124 -5.384 1.762 -24.792 1.00 62.24 H new ATOM 0 HE1 PHE A 124 -5.450 -3.087 -25.622 1.00 70.14 H new ATOM 0 HE2 PHE A 124 -7.237 0.760 -26.054 1.00 75.21 H new ATOM 0 HZ PHE A 124 -7.273 -1.667 -26.476 1.00 5.00 H new ATOM 2004 N LEU A 125 -1.346 -1.238 -21.778 1.00 2.22 N ATOM 2005 CA LEU A 125 -0.648 -2.497 -21.543 1.00 20.24 C ATOM 2006 C LEU A 125 -1.019 -3.080 -20.183 1.00 0.44 C ATOM 2007 O LEU A 125 -1.508 -4.206 -20.090 1.00 43.30 O ATOM 2008 CB LEU A 125 0.865 -2.288 -21.625 1.00 0.31 C ATOM 2009 CG LEU A 125 1.548 -2.815 -22.887 1.00 70.03 C ATOM 2010 CD1 LEU A 125 1.504 -4.335 -22.923 1.00 1.23 C ATOM 2011 CD2 LEU A 125 0.894 -2.232 -24.131 1.00 54.51 C ATOM 0 H LEU A 125 -0.745 -0.414 -21.764 1.00 2.22 H new ATOM 0 HA LEU A 125 -0.953 -3.202 -22.316 1.00 20.24 H new ATOM 0 HB2 LEU A 125 1.069 -1.220 -21.545 1.00 0.31 H new ATOM 0 HB3 LEU A 125 1.325 -2.766 -20.760 1.00 0.31 H new ATOM 0 HG LEU A 125 2.592 -2.502 -22.869 1.00 70.03 H new ATOM 0 HD11 LEU A 125 1.995 -4.692 -23.828 1.00 1.23 H new ATOM 0 HD12 LEU A 125 2.019 -4.735 -22.049 1.00 1.23 H new ATOM 0 HD13 LEU A 125 0.467 -4.669 -22.917 1.00 1.23 H new ATOM 0 HD21 LEU A 125 1.393 -2.618 -25.020 1.00 54.51 H new ATOM 0 HD22 LEU A 125 -0.159 -2.514 -24.155 1.00 54.51 H new ATOM 0 HD23 LEU A 125 0.978 -1.145 -24.111 1.00 54.51 H new ATOM 2023 N VAL A 126 -0.785 -2.304 -19.129 1.00 14.13 N ATOM 2024 CA VAL A 126 -1.098 -2.741 -17.773 1.00 60.03 C ATOM 2025 C VAL A 126 -2.536 -3.237 -17.674 1.00 30.31 C ATOM 2026 O VAL A 126 -2.848 -4.111 -16.865 1.00 5.15 O ATOM 2027 CB VAL A 126 -0.887 -1.605 -16.755 1.00 22.35 C ATOM 2028 CG1 VAL A 126 -1.792 -0.425 -17.075 1.00 22.42 C ATOM 2029 CG2 VAL A 126 -1.132 -2.107 -15.340 1.00 20.15 C ATOM 0 H VAL A 126 -0.380 -1.370 -19.188 1.00 14.13 H new ATOM 0 HA VAL A 126 -0.418 -3.560 -17.539 1.00 60.03 H new ATOM 0 HB VAL A 126 0.147 -1.267 -16.823 1.00 22.35 H new ATOM 0 HG11 VAL A 126 -1.628 0.368 -16.345 1.00 22.42 H new ATOM 0 HG12 VAL A 126 -1.564 -0.051 -18.073 1.00 22.42 H new ATOM 0 HG13 VAL A 126 -2.833 -0.744 -17.037 1.00 22.42 H new ATOM 0 HG21 VAL A 126 -0.979 -1.292 -14.633 1.00 20.15 H new ATOM 0 HG22 VAL A 126 -2.155 -2.473 -15.256 1.00 20.15 H new ATOM 0 HG23 VAL A 126 -0.438 -2.917 -15.116 1.00 20.15 H new ATOM 2039 N SER A 127 -3.409 -2.674 -18.503 1.00 72.41 N ATOM 2040 CA SER A 127 -4.816 -3.057 -18.507 1.00 32.33 C ATOM 2041 C SER A 127 -4.968 -4.568 -18.654 1.00 63.24 C ATOM 2042 O SER A 127 -5.924 -5.158 -18.152 1.00 23.20 O ATOM 2043 CB SER A 127 -5.557 -2.346 -19.640 1.00 53.23 C ATOM 2044 OG SER A 127 -6.948 -2.611 -19.586 1.00 32.30 O ATOM 0 H SER A 127 -3.167 -1.951 -19.181 1.00 72.41 H new ATOM 0 HA SER A 127 -5.251 -2.757 -17.554 1.00 32.33 H new ATOM 0 HB2 SER A 127 -5.386 -1.272 -19.573 1.00 53.23 H new ATOM 0 HB3 SER A 127 -5.159 -2.673 -20.600 1.00 53.23 H new ATOM 0 HG SER A 127 -7.399 -2.144 -20.320 1.00 32.30 H new ATOM 2050 N GLN A 128 -4.017 -5.187 -19.347 1.00 52.14 N ATOM 2051 CA GLN A 128 -4.045 -6.629 -19.562 1.00 41.22 C ATOM 2052 C GLN A 128 -3.768 -7.378 -18.263 1.00 63.22 C ATOM 2053 O GLN A 128 -4.375 -8.414 -17.991 1.00 10.11 O ATOM 2054 CB GLN A 128 -3.018 -7.027 -20.624 1.00 33.41 C ATOM 2055 CG GLN A 128 -3.515 -8.103 -21.577 1.00 3.50 C ATOM 2056 CD GLN A 128 -4.125 -7.527 -22.839 1.00 54.43 C ATOM 2057 OE1 GLN A 128 -5.336 -7.606 -23.049 1.00 72.02 O ATOM 2058 NE2 GLN A 128 -3.289 -6.942 -23.689 1.00 3.24 N ATOM 0 H GLN A 128 -3.218 -4.713 -19.769 1.00 52.14 H new ATOM 0 HA GLN A 128 -5.041 -6.900 -19.911 1.00 41.22 H new ATOM 0 HB2 GLN A 128 -2.741 -6.143 -21.199 1.00 33.41 H new ATOM 0 HB3 GLN A 128 -2.114 -7.381 -20.129 1.00 33.41 H new ATOM 0 HG2 GLN A 128 -2.685 -8.757 -21.845 1.00 3.50 H new ATOM 0 HG3 GLN A 128 -4.256 -8.720 -21.068 1.00 3.50 H new ATOM 0 HE21 GLN A 128 -2.292 -6.899 -23.476 1.00 3.24 H new ATOM 0 HE22 GLN A 128 -3.643 -6.536 -24.555 1.00 3.24 H new ATOM 2067 N ASP A 129 -2.847 -6.848 -17.465 1.00 71.54 N ATOM 2068 CA ASP A 129 -2.490 -7.467 -16.194 1.00 44.11 C ATOM 2069 C ASP A 129 -1.878 -8.847 -16.414 1.00 73.20 C ATOM 2070 O ASP A 129 -2.013 -9.738 -15.575 1.00 14.43 O ATOM 2071 CB ASP A 129 -3.720 -7.578 -15.293 1.00 34.41 C ATOM 2072 CG ASP A 129 -3.363 -7.556 -13.820 1.00 31.43 C ATOM 2073 OD1 ASP A 129 -2.435 -8.292 -13.423 1.00 5.40 O ATOM 2074 OD2 ASP A 129 -4.011 -6.804 -13.064 1.00 14.55 O ATOM 0 H ASP A 129 -2.335 -5.992 -17.676 1.00 71.54 H new ATOM 0 HA ASP A 129 -1.748 -6.835 -15.706 1.00 44.11 H new ATOM 0 HB2 ASP A 129 -4.402 -6.756 -15.511 1.00 34.41 H new ATOM 0 HB3 ASP A 129 -4.252 -8.502 -15.521 1.00 34.41 H new ATOM 2079 N ARG A 130 -1.207 -9.017 -17.548 1.00 62.42 N ATOM 2080 CA ARG A 130 -0.577 -10.290 -17.880 1.00 2.34 C ATOM 2081 C ARG A 130 0.142 -10.207 -19.223 1.00 72.01 C ATOM 2082 O ARG A 130 -0.292 -10.806 -20.208 1.00 24.30 O ATOM 2083 CB ARG A 130 -1.622 -11.406 -17.916 1.00 21.30 C ATOM 2084 CG ARG A 130 -2.861 -11.054 -18.722 1.00 73.53 C ATOM 2085 CD ARG A 130 -3.138 -12.091 -19.800 1.00 64.11 C ATOM 2086 NE ARG A 130 -4.489 -11.971 -20.341 1.00 62.51 N ATOM 2087 CZ ARG A 130 -5.576 -12.389 -19.702 1.00 61.52 C ATOM 2088 NH1 ARG A 130 -5.471 -12.951 -18.506 1.00 1.02 N ATOM 2089 NH2 ARG A 130 -6.771 -12.246 -20.260 1.00 52.41 N ATOM 0 H ARG A 130 -1.085 -8.290 -18.253 1.00 62.42 H new ATOM 0 HA ARG A 130 0.158 -10.515 -17.108 1.00 2.34 H new ATOM 0 HB2 ARG A 130 -1.168 -12.304 -18.336 1.00 21.30 H new ATOM 0 HB3 ARG A 130 -1.919 -11.647 -16.895 1.00 21.30 H new ATOM 0 HG2 ARG A 130 -3.721 -10.981 -18.056 1.00 73.53 H new ATOM 0 HG3 ARG A 130 -2.731 -10.075 -19.183 1.00 73.53 H new ATOM 0 HD2 ARG A 130 -2.413 -11.978 -20.606 1.00 64.11 H new ATOM 0 HD3 ARG A 130 -3.001 -13.090 -19.386 1.00 64.11 H new ATOM 0 HE ARG A 130 -4.604 -11.543 -21.260 1.00 62.51 H new ATOM 0 HH11 ARG A 130 -4.554 -13.063 -18.074 1.00 1.02 H new ATOM 0 HH12 ARG A 130 -6.307 -13.271 -18.018 1.00 1.02 H new ATOM 0 HH21 ARG A 130 -6.856 -11.815 -21.180 1.00 52.41 H new ATOM 0 HH22 ARG A 130 -7.605 -12.567 -19.769 1.00 52.41 H new ATOM 2103 N CYS A 131 1.240 -9.461 -19.255 1.00 64.04 N ATOM 2104 CA CYS A 131 2.019 -9.299 -20.478 1.00 54.44 C ATOM 2105 C CYS A 131 3.494 -9.082 -20.159 1.00 42.11 C ATOM 2106 O CYS A 131 3.837 -8.452 -19.159 1.00 40.33 O ATOM 2107 CB CYS A 131 1.483 -8.122 -21.296 1.00 20.30 C ATOM 2108 SG CYS A 131 0.668 -8.604 -22.836 1.00 74.21 S ATOM 0 H CYS A 131 1.611 -8.959 -18.449 1.00 64.04 H new ATOM 0 HA CYS A 131 1.924 -10.213 -21.064 1.00 54.44 H new ATOM 0 HB2 CYS A 131 0.777 -7.560 -20.684 1.00 20.30 H new ATOM 0 HB3 CYS A 131 2.309 -7.450 -21.529 1.00 20.30 H new ATOM 0 HG CYS A 131 0.247 -7.541 -23.455 1.00 74.21 H new ATOM 2114 N ALA A 132 4.363 -9.610 -21.015 1.00 21.02 N ATOM 2115 CA ALA A 132 5.802 -9.474 -20.824 1.00 72.12 C ATOM 2116 C ALA A 132 6.458 -8.825 -22.038 1.00 74.13 C ATOM 2117 O ALA A 132 6.360 -9.335 -23.154 1.00 23.32 O ATOM 2118 CB ALA A 132 6.428 -10.833 -20.547 1.00 1.32 C ATOM 0 H ALA A 132 4.096 -10.136 -21.847 1.00 21.02 H new ATOM 0 HA ALA A 132 5.970 -8.826 -19.964 1.00 72.12 H new ATOM 0 HB1 ALA A 132 7.503 -10.717 -20.406 1.00 1.32 H new ATOM 0 HB2 ALA A 132 5.988 -11.259 -19.645 1.00 1.32 H new ATOM 0 HB3 ALA A 132 6.242 -11.498 -21.391 1.00 1.32 H new ATOM 2124 N GLU A 133 7.124 -7.697 -21.813 1.00 24.41 N ATOM 2125 CA GLU A 133 7.795 -6.979 -22.890 1.00 54.32 C ATOM 2126 C GLU A 133 9.017 -6.229 -22.367 1.00 35.34 C ATOM 2127 O GLU A 133 8.987 -5.654 -21.279 1.00 32.04 O ATOM 2128 CB GLU A 133 6.828 -5.998 -23.557 1.00 42.42 C ATOM 2129 CG GLU A 133 6.233 -6.517 -24.855 1.00 60.12 C ATOM 2130 CD GLU A 133 4.805 -7.000 -24.690 1.00 62.10 C ATOM 2131 OE1 GLU A 133 3.906 -6.148 -24.532 1.00 52.04 O ATOM 2132 OE2 GLU A 133 4.587 -8.229 -24.718 1.00 60.21 O ATOM 0 H GLU A 133 7.213 -7.261 -20.895 1.00 24.41 H new ATOM 0 HA GLU A 133 8.128 -7.710 -23.627 1.00 54.32 H new ATOM 0 HB2 GLU A 133 6.020 -5.769 -22.863 1.00 42.42 H new ATOM 0 HB3 GLU A 133 7.352 -5.063 -23.756 1.00 42.42 H new ATOM 0 HG2 GLU A 133 6.261 -5.726 -25.605 1.00 60.12 H new ATOM 0 HG3 GLU A 133 6.848 -7.335 -25.231 1.00 60.12 H new ATOM 2139 N VAL A 134 10.091 -6.241 -23.149 1.00 60.42 N ATOM 2140 CA VAL A 134 11.323 -5.563 -22.766 1.00 25.20 C ATOM 2141 C VAL A 134 12.090 -5.082 -23.993 1.00 23.23 C ATOM 2142 O VAL A 134 12.203 -5.797 -24.989 1.00 32.41 O ATOM 2143 CB VAL A 134 12.235 -6.484 -21.933 1.00 11.33 C ATOM 2144 CG1 VAL A 134 12.515 -7.778 -22.681 1.00 75.01 C ATOM 2145 CG2 VAL A 134 13.532 -5.771 -21.580 1.00 71.12 C ATOM 0 H VAL A 134 10.133 -6.713 -24.052 1.00 60.42 H new ATOM 0 HA VAL A 134 11.036 -4.703 -22.160 1.00 25.20 H new ATOM 0 HB VAL A 134 11.720 -6.734 -21.005 1.00 11.33 H new ATOM 0 HG11 VAL A 134 13.161 -8.415 -22.077 1.00 75.01 H new ATOM 0 HG12 VAL A 134 11.576 -8.295 -22.878 1.00 75.01 H new ATOM 0 HG13 VAL A 134 13.010 -7.552 -23.626 1.00 75.01 H new ATOM 0 HG21 VAL A 134 14.164 -6.436 -20.992 1.00 71.12 H new ATOM 0 HG22 VAL A 134 14.053 -5.490 -22.495 1.00 71.12 H new ATOM 0 HG23 VAL A 134 13.309 -4.875 -21.000 1.00 71.12 H new ATOM 2155 N THR A 135 12.618 -3.864 -23.914 1.00 60.42 N ATOM 2156 CA THR A 135 13.374 -3.287 -25.018 1.00 2.51 C ATOM 2157 C THR A 135 14.686 -2.683 -24.529 1.00 51.11 C ATOM 2158 O THR A 135 14.691 -1.763 -23.710 1.00 52.45 O ATOM 2159 CB THR A 135 12.562 -2.199 -25.747 1.00 22.41 C ATOM 2160 OG1 THR A 135 11.229 -2.152 -25.226 1.00 60.14 O ATOM 2161 CG2 THR A 135 12.519 -2.469 -27.243 1.00 55.24 C ATOM 0 H THR A 135 12.536 -3.259 -23.097 1.00 60.42 H new ATOM 0 HA THR A 135 13.587 -4.099 -25.714 1.00 2.51 H new ATOM 0 HB THR A 135 13.050 -1.239 -25.581 1.00 22.41 H new ATOM 0 HG1 THR A 135 10.715 -1.468 -25.704 1.00 60.14 H new ATOM 0 HG21 THR A 135 11.941 -1.688 -27.737 1.00 55.24 H new ATOM 0 HG22 THR A 135 13.534 -2.476 -27.641 1.00 55.24 H new ATOM 0 HG23 THR A 135 12.052 -3.437 -27.425 1.00 55.24 H new ATOM 2169 N LEU A 136 15.797 -3.206 -25.036 1.00 2.53 N ATOM 2170 CA LEU A 136 17.117 -2.717 -24.651 1.00 31.10 C ATOM 2171 C LEU A 136 18.119 -2.904 -25.786 1.00 31.43 C ATOM 2172 O LEU A 136 18.127 -3.937 -26.455 1.00 13.11 O ATOM 2173 CB LEU A 136 17.606 -3.445 -23.398 1.00 3.02 C ATOM 2174 CG LEU A 136 17.830 -4.951 -23.540 1.00 52.14 C ATOM 2175 CD1 LEU A 136 19.236 -5.326 -23.099 1.00 41.04 C ATOM 2176 CD2 LEU A 136 16.793 -5.722 -22.737 1.00 23.43 C ATOM 0 H LEU A 136 15.811 -3.968 -25.714 1.00 2.53 H new ATOM 0 HA LEU A 136 17.035 -1.652 -24.436 1.00 31.10 H new ATOM 0 HB2 LEU A 136 18.542 -2.987 -23.079 1.00 3.02 H new ATOM 0 HB3 LEU A 136 16.882 -3.279 -22.600 1.00 3.02 H new ATOM 0 HG LEU A 136 17.719 -5.218 -24.591 1.00 52.14 H new ATOM 0 HD11 LEU A 136 19.377 -6.401 -23.207 1.00 41.04 H new ATOM 0 HD12 LEU A 136 19.964 -4.801 -23.718 1.00 41.04 H new ATOM 0 HD13 LEU A 136 19.377 -5.045 -22.055 1.00 41.04 H new ATOM 0 HD21 LEU A 136 16.968 -6.792 -22.850 1.00 23.43 H new ATOM 0 HD22 LEU A 136 16.872 -5.450 -21.684 1.00 23.43 H new ATOM 0 HD23 LEU A 136 15.795 -5.477 -23.101 1.00 23.43 H new