USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 916 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 14 HIS : no HD1:sc= -0.111 K(o=-0.097,f=-0.82) USER MOD Set 1.2: A 85 LYS NZ :NH3+ 141:sc= 0.014 (180deg=0) USER MOD Set 2.1: A 59 GLN : amide:sc= -5.54! C(o=-5.5!,f=-4.4!) USER MOD Set 2.2: A 96 TYR OH : rot 4:sc= 0.0484 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 170:sc= 0.0266 (180deg=-0.0805) USER MOD Single : A 6 ASN : amide:sc= 0.0186 K(o=0.019,f=-2.1!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 18:sc= 0.331 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.13) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -150:sc= -0.204 (180deg=-0.766) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot -10:sc= -2.14 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0713 USER MOD Single : A 57 HIS : no HE2:sc= -1.85 X(o=-1.8,f=-1.7!) USER MOD Single : A 63 ASN : amide:sc= -1.51 K(o=-1.5,f=-5.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -3.52 K(o=-3.5,f=-7.7!) USER MOD Single : A 69 THR OG1 : rot 125:sc= -0.277 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 143:sc= -0.159 (180deg=-0.316) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 81 CYS SG : rot -99:sc= 0.453 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=-0.0051) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 ASN : amide:sc= -2.06! K(o=-2.1!,f=0.53) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 CYS SG : rot 69:sc= 0.287 USER MOD Single : A 98 SER OG : rot -35:sc= 0.0964 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc=-0.00314 X(o=-0.0031,f=0.24) USER MOD Single : A 105 MET CE :methyl 163:sc= -1.4 (180deg=-2.39) USER MOD Single : A 107 CYS SG : rot -1:sc= 0.162 USER MOD Single : A 112 SER OG : rot 133:sc= -0.0881 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 2 30.380 1.226 23.239 1.00 75.31 N ATOM 2 CA PRO A 2 29.555 1.455 22.049 1.00 61.44 C ATOM 3 C PRO A 2 29.994 0.597 20.866 1.00 14.32 C ATOM 4 O PRO A 2 31.187 0.459 20.596 1.00 34.01 O ATOM 5 CB PRO A 2 29.776 2.938 21.744 1.00 12.42 C ATOM 6 CG PRO A 2 31.107 3.252 22.334 1.00 45.13 C ATOM 7 CD PRO A 2 31.236 2.382 23.553 1.00 31.31 C ATOM 0 HA PRO A 2 28.511 1.192 22.220 1.00 61.44 H new ATOM 0 HB2 PRO A 2 29.764 3.127 20.671 1.00 12.42 H new ATOM 0 HB3 PRO A 2 28.992 3.554 22.185 1.00 12.42 H new ATOM 0 HG2 PRO A 2 31.907 3.048 21.623 1.00 45.13 H new ATOM 0 HG3 PRO A 2 31.177 4.307 22.599 1.00 45.13 H new ATOM 0 HD2 PRO A 2 32.270 2.082 23.725 1.00 31.31 H new ATOM 0 HD3 PRO A 2 30.900 2.898 24.452 1.00 31.31 H new ATOM 15 N SER A 3 29.021 0.024 20.164 1.00 25.11 N ATOM 16 CA SER A 3 29.308 -0.823 19.012 1.00 12.01 C ATOM 17 C SER A 3 28.038 -1.102 18.214 1.00 51.22 C ATOM 18 O SER A 3 27.089 -1.698 18.723 1.00 75.14 O ATOM 19 CB SER A 3 29.939 -2.141 19.465 1.00 35.05 C ATOM 20 OG SER A 3 30.602 -2.785 18.392 1.00 41.14 O ATOM 0 H SER A 3 28.028 0.131 20.373 1.00 25.11 H new ATOM 0 HA SER A 3 30.012 -0.294 18.370 1.00 12.01 H new ATOM 0 HB2 SER A 3 30.647 -1.950 20.272 1.00 35.05 H new ATOM 0 HB3 SER A 3 29.167 -2.798 19.866 1.00 35.05 H new ATOM 0 HG SER A 3 30.998 -3.624 18.708 1.00 41.14 H new ATOM 26 N LYS A 4 28.028 -0.666 16.959 1.00 41.23 N ATOM 27 CA LYS A 4 26.877 -0.868 16.087 1.00 71.10 C ATOM 28 C LYS A 4 27.257 -0.654 14.625 1.00 30.13 C ATOM 29 O LYS A 4 27.902 0.336 14.279 1.00 24.42 O ATOM 30 CB LYS A 4 25.744 0.084 16.475 1.00 13.40 C ATOM 31 CG LYS A 4 26.180 1.535 16.585 1.00 14.24 C ATOM 32 CD LYS A 4 25.095 2.397 17.209 1.00 1.44 C ATOM 33 CE LYS A 4 24.856 2.026 18.665 1.00 61.42 C ATOM 34 NZ LYS A 4 24.034 3.047 19.371 1.00 45.54 N ATOM 0 H LYS A 4 28.805 -0.170 16.523 1.00 41.23 H new ATOM 0 HA LYS A 4 26.537 -1.896 16.209 1.00 71.10 H new ATOM 0 HB2 LYS A 4 24.947 0.008 15.735 1.00 13.40 H new ATOM 0 HB3 LYS A 4 25.324 -0.234 17.429 1.00 13.40 H new ATOM 0 HG2 LYS A 4 27.087 1.599 17.186 1.00 14.24 H new ATOM 0 HG3 LYS A 4 26.426 1.918 15.595 1.00 14.24 H new ATOM 0 HD2 LYS A 4 25.380 3.447 17.142 1.00 1.44 H new ATOM 0 HD3 LYS A 4 24.169 2.282 16.646 1.00 1.44 H new ATOM 0 HE2 LYS A 4 24.356 1.059 18.716 1.00 61.42 H new ATOM 0 HE3 LYS A 4 25.814 1.916 19.174 1.00 61.42 H new ATOM 0 HZ1 LYS A 4 23.894 2.757 20.360 1.00 45.54 H new ATOM 0 HZ2 LYS A 4 24.523 3.965 19.345 1.00 45.54 H new ATOM 0 HZ3 LYS A 4 23.110 3.134 18.902 1.00 45.54 H new ATOM 48 N LYS A 5 26.852 -1.587 13.771 1.00 74.14 N ATOM 49 CA LYS A 5 27.147 -1.500 12.345 1.00 33.14 C ATOM 50 C LYS A 5 26.467 -2.630 11.579 1.00 24.50 C ATOM 51 O LYS A 5 26.223 -3.705 12.127 1.00 51.44 O ATOM 52 CB LYS A 5 28.659 -1.548 12.113 1.00 75.43 C ATOM 53 CG LYS A 5 29.257 -0.208 11.724 1.00 3.31 C ATOM 54 CD LYS A 5 30.661 -0.041 12.282 1.00 13.12 C ATOM 55 CE LYS A 5 30.665 0.832 13.528 1.00 61.40 C ATOM 56 NZ LYS A 5 30.695 0.018 14.775 1.00 54.11 N ATOM 0 H LYS A 5 26.318 -2.413 14.041 1.00 74.14 H new ATOM 0 HA LYS A 5 26.759 -0.551 11.976 1.00 33.14 H new ATOM 0 HB2 LYS A 5 29.146 -1.904 13.021 1.00 75.43 H new ATOM 0 HB3 LYS A 5 28.875 -2.274 11.329 1.00 75.43 H new ATOM 0 HG2 LYS A 5 29.284 -0.122 10.638 1.00 3.31 H new ATOM 0 HG3 LYS A 5 28.620 0.596 12.092 1.00 3.31 H new ATOM 0 HD2 LYS A 5 31.078 -1.020 12.521 1.00 13.12 H new ATOM 0 HD3 LYS A 5 31.305 0.403 11.523 1.00 13.12 H new ATOM 0 HE2 LYS A 5 31.531 1.494 13.505 1.00 61.40 H new ATOM 0 HE3 LYS A 5 29.779 1.467 13.530 1.00 61.40 H new ATOM 0 HZ1 LYS A 5 30.867 0.639 15.591 1.00 54.11 H new ATOM 0 HZ2 LYS A 5 29.783 -0.467 14.895 1.00 54.11 H new ATOM 0 HZ3 LYS A 5 31.456 -0.688 14.711 1.00 54.11 H new ATOM 70 N ASN A 6 26.167 -2.381 10.309 1.00 55.13 N ATOM 71 CA ASN A 6 25.516 -3.379 9.467 1.00 3.20 C ATOM 72 C ASN A 6 26.017 -3.287 8.029 1.00 50.02 C ATOM 73 O ASN A 6 26.815 -2.413 7.693 1.00 60.12 O ATOM 74 CB ASN A 6 23.998 -3.195 9.503 1.00 73.11 C ATOM 75 CG ASN A 6 23.266 -4.487 9.811 1.00 62.32 C ATOM 76 OD1 ASN A 6 23.609 -5.548 9.288 1.00 42.43 O ATOM 77 ND2 ASN A 6 22.252 -4.404 10.664 1.00 53.13 N ATOM 0 H ASN A 6 26.364 -1.497 9.840 1.00 55.13 H new ATOM 0 HA ASN A 6 25.765 -4.366 9.857 1.00 3.20 H new ATOM 0 HB2 ASN A 6 23.743 -2.448 10.255 1.00 73.11 H new ATOM 0 HB3 ASN A 6 23.659 -2.809 8.542 1.00 73.11 H new ATOM 0 HD21 ASN A 6 21.723 -5.240 10.910 1.00 53.13 H new ATOM 0 HD22 ASN A 6 22.003 -3.504 11.074 1.00 53.13 H new ATOM 84 N GLY A 7 25.541 -4.196 7.183 1.00 63.01 N ATOM 85 CA GLY A 7 25.951 -4.200 5.791 1.00 70.13 C ATOM 86 C GLY A 7 25.771 -5.556 5.137 1.00 12.13 C ATOM 87 O GLY A 7 26.704 -6.358 5.088 1.00 12.42 O ATOM 0 H GLY A 7 24.879 -4.929 7.437 1.00 63.01 H new ATOM 0 HA2 GLY A 7 25.373 -3.456 5.243 1.00 70.13 H new ATOM 0 HA3 GLY A 7 26.998 -3.903 5.723 1.00 70.13 H new ATOM 91 N ARG A 8 24.568 -5.814 4.636 1.00 75.04 N ATOM 92 CA ARG A 8 24.267 -7.084 3.985 1.00 44.43 C ATOM 93 C ARG A 8 23.553 -6.858 2.656 1.00 53.43 C ATOM 94 O ARG A 8 23.409 -5.722 2.202 1.00 64.54 O ATOM 95 CB ARG A 8 23.405 -7.958 4.897 1.00 4.34 C ATOM 96 CG ARG A 8 24.042 -8.241 6.248 1.00 10.03 C ATOM 97 CD ARG A 8 24.665 -9.628 6.291 1.00 51.42 C ATOM 98 NE ARG A 8 23.684 -10.658 6.619 1.00 31.44 N ATOM 99 CZ ARG A 8 23.217 -10.865 7.846 1.00 43.31 C ATOM 100 NH1 ARG A 8 23.640 -10.115 8.854 1.00 12.33 N ATOM 101 NH2 ARG A 8 22.326 -11.822 8.065 1.00 34.55 N ATOM 0 H ARG A 8 23.785 -5.161 4.668 1.00 75.04 H new ATOM 0 HA ARG A 8 25.210 -7.595 3.789 1.00 44.43 H new ATOM 0 HB2 ARG A 8 22.444 -7.468 5.053 1.00 4.34 H new ATOM 0 HB3 ARG A 8 23.203 -8.904 4.395 1.00 4.34 H new ATOM 0 HG2 ARG A 8 24.806 -7.491 6.456 1.00 10.03 H new ATOM 0 HG3 ARG A 8 23.289 -8.155 7.032 1.00 10.03 H new ATOM 0 HD2 ARG A 8 25.117 -9.852 5.325 1.00 51.42 H new ATOM 0 HD3 ARG A 8 25.467 -9.643 7.029 1.00 51.42 H new ATOM 0 HE ARG A 8 23.338 -11.251 5.865 1.00 31.44 H new ATOM 0 HH11 ARG A 8 24.325 -9.378 8.689 1.00 12.33 H new ATOM 0 HH12 ARG A 8 23.280 -10.275 9.795 1.00 12.33 H new ATOM 0 HH21 ARG A 8 21.998 -12.400 7.291 1.00 34.55 H new ATOM 0 HH22 ARG A 8 21.968 -11.980 9.007 1.00 34.55 H new ATOM 115 N SER A 9 23.107 -7.946 2.037 1.00 73.21 N ATOM 116 CA SER A 9 22.411 -7.867 0.758 1.00 73.41 C ATOM 117 C SER A 9 20.990 -8.409 0.878 1.00 33.43 C ATOM 118 O SER A 9 20.668 -9.137 1.817 1.00 42.20 O ATOM 119 CB SER A 9 23.177 -8.647 -0.313 1.00 0.15 C ATOM 120 OG SER A 9 24.551 -8.753 0.019 1.00 35.44 O ATOM 0 H SER A 9 23.215 -8.893 2.400 1.00 73.21 H new ATOM 0 HA SER A 9 22.358 -6.818 0.466 1.00 73.41 H new ATOM 0 HB2 SER A 9 22.747 -9.643 -0.419 1.00 0.15 H new ATOM 0 HB3 SER A 9 23.070 -8.149 -1.277 1.00 0.15 H new ATOM 0 HG SER A 9 25.018 -9.257 -0.680 1.00 35.44 H new ATOM 126 N GLY A 10 20.142 -8.049 -0.081 1.00 0.35 N ATOM 127 CA GLY A 10 18.765 -8.507 -0.064 1.00 41.23 C ATOM 128 C GLY A 10 17.774 -7.371 -0.221 1.00 41.40 C ATOM 129 O GLY A 10 18.131 -6.256 -0.603 1.00 13.34 O ATOM 0 H GLY A 10 20.384 -7.448 -0.869 1.00 0.35 H new ATOM 0 HA2 GLY A 10 18.616 -9.229 -0.867 1.00 41.23 H new ATOM 0 HA3 GLY A 10 18.570 -9.028 0.873 1.00 41.23 H new ATOM 133 N PRO A 11 16.496 -7.650 0.076 1.00 3.53 N ATOM 134 CA PRO A 11 15.424 -6.655 -0.027 1.00 62.12 C ATOM 135 C PRO A 11 15.537 -5.568 1.036 1.00 30.24 C ATOM 136 O PRO A 11 15.916 -5.839 2.175 1.00 25.51 O ATOM 137 CB PRO A 11 14.153 -7.481 0.185 1.00 52.24 C ATOM 138 CG PRO A 11 14.595 -8.659 0.982 1.00 13.24 C ATOM 139 CD PRO A 11 16.000 -8.957 0.537 1.00 13.01 C ATOM 0 HA PRO A 11 15.450 -6.124 -0.979 1.00 62.12 H new ATOM 0 HB2 PRO A 11 13.392 -6.908 0.715 1.00 52.24 H new ATOM 0 HB3 PRO A 11 13.717 -7.787 -0.766 1.00 52.24 H new ATOM 0 HG2 PRO A 11 14.562 -8.442 2.050 1.00 13.24 H new ATOM 0 HG3 PRO A 11 13.941 -9.514 0.810 1.00 13.24 H new ATOM 0 HD2 PRO A 11 16.605 -9.351 1.353 1.00 13.01 H new ATOM 0 HD3 PRO A 11 16.020 -9.699 -0.261 1.00 13.01 H new ATOM 147 N GLN A 12 15.205 -4.339 0.657 1.00 55.41 N ATOM 148 CA GLN A 12 15.269 -3.211 1.579 1.00 22.34 C ATOM 149 C GLN A 12 13.927 -2.492 1.655 1.00 55.11 C ATOM 150 O GLN A 12 13.076 -2.619 0.774 1.00 60.31 O ATOM 151 CB GLN A 12 16.362 -2.232 1.146 1.00 31.51 C ATOM 152 CG GLN A 12 17.681 -2.432 1.875 1.00 41.22 C ATOM 153 CD GLN A 12 18.645 -1.281 1.663 1.00 54.22 C ATOM 154 OE1 GLN A 12 18.435 -0.179 2.170 1.00 14.32 O ATOM 155 NE2 GLN A 12 19.709 -1.531 0.910 1.00 45.12 N ATOM 0 H GLN A 12 14.889 -4.098 -0.282 1.00 55.41 H new ATOM 0 HA GLN A 12 15.509 -3.598 2.569 1.00 22.34 H new ATOM 0 HB2 GLN A 12 16.529 -2.338 0.074 1.00 31.51 H new ATOM 0 HB3 GLN A 12 16.014 -1.213 1.315 1.00 31.51 H new ATOM 0 HG2 GLN A 12 17.488 -2.548 2.942 1.00 41.22 H new ATOM 0 HG3 GLN A 12 18.145 -3.357 1.532 1.00 41.22 H new ATOM 0 HE21 GLN A 12 19.844 -2.459 0.509 1.00 45.12 H new ATOM 0 HE22 GLN A 12 20.392 -0.795 0.732 1.00 45.12 H new ATOM 164 N PRO A 13 13.729 -1.718 2.732 1.00 3.52 N ATOM 165 CA PRO A 13 12.492 -0.962 2.948 1.00 34.33 C ATOM 166 C PRO A 13 12.340 0.195 1.967 1.00 32.01 C ATOM 167 O PRO A 13 13.328 0.791 1.536 1.00 32.44 O ATOM 168 CB PRO A 13 12.643 -0.435 4.378 1.00 74.35 C ATOM 169 CG PRO A 13 14.114 -0.378 4.607 1.00 75.13 C ATOM 170 CD PRO A 13 14.700 -1.519 3.822 1.00 74.11 C ATOM 0 HA PRO A 13 11.606 -1.579 2.798 1.00 34.33 H new ATOM 0 HB2 PRO A 13 12.187 0.549 4.488 1.00 74.35 H new ATOM 0 HB3 PRO A 13 12.156 -1.094 5.096 1.00 74.35 H new ATOM 0 HG2 PRO A 13 14.524 0.576 4.274 1.00 75.13 H new ATOM 0 HG3 PRO A 13 14.348 -0.473 5.667 1.00 75.13 H new ATOM 0 HD2 PRO A 13 15.691 -1.276 3.438 1.00 74.11 H new ATOM 0 HD3 PRO A 13 14.806 -2.415 4.434 1.00 74.11 H new ATOM 178 N HIS A 14 11.096 0.509 1.617 1.00 4.14 N ATOM 179 CA HIS A 14 10.816 1.597 0.687 1.00 34.10 C ATOM 180 C HIS A 14 9.643 2.442 1.177 1.00 64.31 C ATOM 181 O HIS A 14 9.045 2.152 2.213 1.00 22.51 O ATOM 182 CB HIS A 14 10.512 1.041 -0.704 1.00 61.54 C ATOM 183 CG HIS A 14 11.695 0.402 -1.365 1.00 51.54 C ATOM 184 ND1 HIS A 14 12.004 -0.934 -1.228 1.00 33.42 N ATOM 185 CD2 HIS A 14 12.646 0.925 -2.174 1.00 2.50 C ATOM 186 CE1 HIS A 14 13.095 -1.206 -1.922 1.00 13.35 C ATOM 187 NE2 HIS A 14 13.504 -0.094 -2.506 1.00 22.04 N ATOM 0 H HIS A 14 10.267 0.026 1.963 1.00 4.14 H new ATOM 0 HA HIS A 14 11.701 2.232 0.631 1.00 34.10 H new ATOM 0 HB2 HIS A 14 9.710 0.307 -0.626 1.00 61.54 H new ATOM 0 HB3 HIS A 14 10.145 1.849 -1.337 1.00 61.54 H new ATOM 0 HD2 HIS A 14 12.717 1.953 -2.498 1.00 2.50 H new ATOM 0 HE1 HIS A 14 13.571 -2.172 -1.999 1.00 13.35 H new ATOM 0 HE2 HIS A 14 14.324 -0.007 -3.106 1.00 22.04 H new ATOM 195 N LYS A 15 9.320 3.489 0.426 1.00 64.15 N ATOM 196 CA LYS A 15 8.220 4.377 0.782 1.00 71.53 C ATOM 197 C LYS A 15 6.990 4.090 -0.074 1.00 65.44 C ATOM 198 O LYS A 15 6.084 4.917 -0.173 1.00 44.22 O ATOM 199 CB LYS A 15 8.641 5.838 0.614 1.00 4.10 C ATOM 200 CG LYS A 15 9.291 6.134 -0.727 1.00 24.44 C ATOM 201 CD LYS A 15 10.747 6.538 -0.564 1.00 21.45 C ATOM 202 CE LYS A 15 11.683 5.367 -0.821 1.00 72.51 C ATOM 203 NZ LYS A 15 13.092 5.812 -1.006 1.00 14.43 N ATOM 0 H LYS A 15 9.805 3.744 -0.434 1.00 64.15 H new ATOM 0 HA LYS A 15 7.965 4.197 1.826 1.00 71.53 H new ATOM 0 HB2 LYS A 15 7.765 6.476 0.732 1.00 4.10 H new ATOM 0 HB3 LYS A 15 9.336 6.101 1.411 1.00 4.10 H new ATOM 0 HG2 LYS A 15 9.226 5.253 -1.366 1.00 24.44 H new ATOM 0 HG3 LYS A 15 8.745 6.933 -1.229 1.00 24.44 H new ATOM 0 HD2 LYS A 15 10.980 7.349 -1.254 1.00 21.45 H new ATOM 0 HD3 LYS A 15 10.909 6.920 0.444 1.00 21.45 H new ATOM 0 HE2 LYS A 15 11.629 4.669 0.015 1.00 72.51 H new ATOM 0 HE3 LYS A 15 11.353 4.827 -1.709 1.00 72.51 H new ATOM 0 HZ1 LYS A 15 13.698 4.984 -1.179 1.00 14.43 H new ATOM 0 HZ2 LYS A 15 13.148 6.458 -1.819 1.00 14.43 H new ATOM 0 HZ3 LYS A 15 13.416 6.305 -0.149 1.00 14.43 H new ATOM 217 N ARG A 16 6.966 2.912 -0.690 1.00 54.12 N ATOM 218 CA ARG A 16 5.847 2.517 -1.537 1.00 70.54 C ATOM 219 C ARG A 16 5.525 1.036 -1.357 1.00 64.21 C ATOM 220 O ARG A 16 6.401 0.180 -1.487 1.00 52.33 O ATOM 221 CB ARG A 16 6.165 2.805 -3.006 1.00 13.33 C ATOM 222 CG ARG A 16 6.365 4.282 -3.307 1.00 35.33 C ATOM 223 CD ARG A 16 7.831 4.608 -3.544 1.00 55.35 C ATOM 224 NE ARG A 16 8.284 4.163 -4.859 1.00 42.34 N ATOM 225 CZ ARG A 16 9.564 4.074 -5.204 1.00 20.22 C ATOM 226 NH1 ARG A 16 10.512 4.396 -4.335 1.00 11.53 N ATOM 227 NH2 ARG A 16 9.898 3.660 -6.420 1.00 12.24 N ATOM 0 H ARG A 16 7.708 2.216 -0.618 1.00 54.12 H new ATOM 0 HA ARG A 16 4.975 3.100 -1.239 1.00 70.54 H new ATOM 0 HB2 ARG A 16 7.066 2.260 -3.288 1.00 13.33 H new ATOM 0 HB3 ARG A 16 5.354 2.423 -3.626 1.00 13.33 H new ATOM 0 HG2 ARG A 16 5.783 4.557 -4.187 1.00 35.33 H new ATOM 0 HG3 ARG A 16 5.988 4.878 -2.476 1.00 35.33 H new ATOM 0 HD2 ARG A 16 7.983 5.684 -3.453 1.00 55.35 H new ATOM 0 HD3 ARG A 16 8.437 4.134 -2.772 1.00 55.35 H new ATOM 0 HE ARG A 16 7.579 3.906 -5.550 1.00 42.34 H new ATOM 0 HH11 ARG A 16 10.259 4.713 -3.399 1.00 11.53 H new ATOM 0 HH12 ARG A 16 11.494 4.327 -4.602 1.00 11.53 H new ATOM 0 HH21 ARG A 16 9.172 3.410 -7.091 1.00 12.24 H new ATOM 0 HH22 ARG A 16 10.881 3.592 -6.684 1.00 12.24 H new ATOM 241 N TRP A 17 4.266 0.742 -1.057 1.00 13.03 N ATOM 242 CA TRP A 17 3.829 -0.635 -0.858 1.00 32.31 C ATOM 243 C TRP A 17 2.363 -0.802 -1.242 1.00 72.30 C ATOM 244 O TRP A 17 1.521 0.025 -0.892 1.00 42.45 O ATOM 245 CB TRP A 17 4.038 -1.053 0.599 1.00 60.24 C ATOM 246 CG TRP A 17 5.479 -1.263 0.955 1.00 35.12 C ATOM 247 CD1 TRP A 17 6.324 -0.352 1.520 1.00 2.41 C ATOM 248 CD2 TRP A 17 6.242 -2.460 0.769 1.00 32.01 C ATOM 249 NE1 TRP A 17 7.567 -0.910 1.696 1.00 4.13 N ATOM 250 CE2 TRP A 17 7.543 -2.203 1.244 1.00 13.34 C ATOM 251 CE3 TRP A 17 5.953 -3.724 0.249 1.00 33.52 C ATOM 252 CZ2 TRP A 17 8.550 -3.163 1.213 1.00 31.40 C ATOM 253 CZ3 TRP A 17 6.954 -4.677 0.218 1.00 14.24 C ATOM 254 CH2 TRP A 17 8.239 -4.393 0.699 1.00 50.25 C ATOM 0 H TRP A 17 3.529 1.438 -0.946 1.00 13.03 H new ATOM 0 HA TRP A 17 4.429 -1.277 -1.503 1.00 32.31 H new ATOM 0 HB2 TRP A 17 3.617 -0.289 1.253 1.00 60.24 H new ATOM 0 HB3 TRP A 17 3.486 -1.974 0.788 1.00 60.24 H new ATOM 0 HD1 TRP A 17 6.055 0.659 1.789 1.00 2.41 H new ATOM 0 HE1 TRP A 17 8.377 -0.438 2.098 1.00 4.13 H new ATOM 0 HE3 TRP A 17 4.965 -3.953 -0.122 1.00 33.52 H new ATOM 0 HZ2 TRP A 17 9.542 -2.945 1.581 1.00 31.40 H new ATOM 0 HZ3 TRP A 17 6.742 -5.657 -0.184 1.00 14.24 H new ATOM 0 HH2 TRP A 17 8.999 -5.160 0.664 1.00 50.25 H new ATOM 265 N VAL A 18 2.063 -1.878 -1.963 1.00 42.02 N ATOM 266 CA VAL A 18 0.698 -2.154 -2.394 1.00 13.24 C ATOM 267 C VAL A 18 0.112 -3.341 -1.637 1.00 1.42 C ATOM 268 O VAL A 18 0.843 -4.137 -1.048 1.00 2.03 O ATOM 269 CB VAL A 18 0.633 -2.441 -3.906 1.00 11.45 C ATOM 270 CG1 VAL A 18 1.177 -1.261 -4.697 1.00 12.12 C ATOM 271 CG2 VAL A 18 1.395 -3.714 -4.239 1.00 44.10 C ATOM 0 H VAL A 18 2.748 -2.573 -2.261 1.00 42.02 H new ATOM 0 HA VAL A 18 0.111 -1.262 -2.176 1.00 13.24 H new ATOM 0 HB VAL A 18 -0.410 -2.586 -4.187 1.00 11.45 H new ATOM 0 HG11 VAL A 18 1.123 -1.482 -5.763 1.00 12.12 H new ATOM 0 HG12 VAL A 18 0.584 -0.373 -4.480 1.00 12.12 H new ATOM 0 HG13 VAL A 18 2.215 -1.082 -4.416 1.00 12.12 H new ATOM 0 HG21 VAL A 18 1.339 -3.902 -5.311 1.00 44.10 H new ATOM 0 HG22 VAL A 18 2.438 -3.601 -3.945 1.00 44.10 H new ATOM 0 HG23 VAL A 18 0.955 -4.553 -3.700 1.00 44.10 H new ATOM 281 N PHE A 19 -1.212 -3.453 -1.657 1.00 61.21 N ATOM 282 CA PHE A 19 -1.897 -4.543 -0.972 1.00 60.22 C ATOM 283 C PHE A 19 -2.996 -5.132 -1.851 1.00 74.22 C ATOM 284 O PHE A 19 -3.659 -4.415 -2.602 1.00 12.03 O ATOM 285 CB PHE A 19 -2.493 -4.050 0.348 1.00 53.43 C ATOM 286 CG PHE A 19 -3.325 -2.808 0.202 1.00 14.32 C ATOM 287 CD1 PHE A 19 -2.727 -1.559 0.152 1.00 13.14 C ATOM 288 CD2 PHE A 19 -4.706 -2.889 0.116 1.00 61.11 C ATOM 289 CE1 PHE A 19 -3.490 -0.414 0.018 1.00 31.02 C ATOM 290 CE2 PHE A 19 -5.474 -1.748 -0.019 1.00 2.12 C ATOM 291 CZ PHE A 19 -4.865 -0.509 -0.066 1.00 53.25 C ATOM 0 H PHE A 19 -1.832 -2.803 -2.140 1.00 61.21 H new ATOM 0 HA PHE A 19 -1.166 -5.324 -0.763 1.00 60.22 H new ATOM 0 HB2 PHE A 19 -3.107 -4.841 0.778 1.00 53.43 H new ATOM 0 HB3 PHE A 19 -1.684 -3.856 1.053 1.00 53.43 H new ATOM 0 HD1 PHE A 19 -1.652 -1.479 0.219 1.00 13.14 H new ATOM 0 HD2 PHE A 19 -5.187 -3.855 0.155 1.00 61.11 H new ATOM 0 HE1 PHE A 19 -3.011 0.553 -0.021 1.00 31.02 H new ATOM 0 HE2 PHE A 19 -6.549 -1.825 -0.088 1.00 2.12 H new ATOM 0 HZ PHE A 19 -5.463 0.384 -0.168 1.00 53.25 H new ATOM 301 N THR A 20 -3.185 -6.445 -1.753 1.00 43.44 N ATOM 302 CA THR A 20 -4.202 -7.132 -2.540 1.00 5.53 C ATOM 303 C THR A 20 -4.745 -8.346 -1.795 1.00 51.42 C ATOM 304 O THR A 20 -3.982 -9.189 -1.322 1.00 35.04 O ATOM 305 CB THR A 20 -3.646 -7.586 -3.903 1.00 1.33 C ATOM 306 OG1 THR A 20 -2.655 -8.602 -3.714 1.00 4.43 O ATOM 307 CG2 THR A 20 -3.040 -6.413 -4.658 1.00 44.30 C ATOM 0 H THR A 20 -2.647 -7.054 -1.136 1.00 43.44 H new ATOM 0 HA THR A 20 -5.010 -6.419 -2.705 1.00 5.53 H new ATOM 0 HB THR A 20 -4.471 -7.989 -4.491 1.00 1.33 H new ATOM 0 HG1 THR A 20 -2.746 -8.984 -2.816 1.00 4.43 H new ATOM 0 HG21 THR A 20 -2.654 -6.758 -5.617 1.00 44.30 H new ATOM 0 HG22 THR A 20 -3.805 -5.654 -4.826 1.00 44.30 H new ATOM 0 HG23 THR A 20 -2.227 -5.985 -4.072 1.00 44.30 H new ATOM 315 N LEU A 21 -6.067 -8.429 -1.696 1.00 31.44 N ATOM 316 CA LEU A 21 -6.714 -9.542 -1.009 1.00 24.23 C ATOM 317 C LEU A 21 -7.965 -9.991 -1.757 1.00 0.24 C ATOM 318 O LEU A 21 -8.752 -9.167 -2.220 1.00 11.44 O ATOM 319 CB LEU A 21 -7.077 -9.142 0.422 1.00 21.14 C ATOM 320 CG LEU A 21 -7.649 -10.252 1.305 1.00 60.01 C ATOM 321 CD1 LEU A 21 -6.620 -10.702 2.331 1.00 72.25 C ATOM 322 CD2 LEU A 21 -8.922 -9.783 1.994 1.00 2.42 C ATOM 0 H LEU A 21 -6.712 -7.740 -2.082 1.00 31.44 H new ATOM 0 HA LEU A 21 -6.012 -10.376 -0.980 1.00 24.23 H new ATOM 0 HB2 LEU A 21 -6.184 -8.745 0.905 1.00 21.14 H new ATOM 0 HB3 LEU A 21 -7.803 -8.330 0.378 1.00 21.14 H new ATOM 0 HG LEU A 21 -7.896 -11.103 0.671 1.00 60.01 H new ATOM 0 HD11 LEU A 21 -7.045 -11.492 2.950 1.00 72.25 H new ATOM 0 HD12 LEU A 21 -5.735 -11.079 1.818 1.00 72.25 H new ATOM 0 HD13 LEU A 21 -6.341 -9.858 2.961 1.00 72.25 H new ATOM 0 HD21 LEU A 21 -9.315 -10.586 2.618 1.00 2.42 H new ATOM 0 HD22 LEU A 21 -8.701 -8.915 2.616 1.00 2.42 H new ATOM 0 HD23 LEU A 21 -9.664 -9.511 1.243 1.00 2.42 H new ATOM 334 N ASN A 22 -8.143 -11.303 -1.869 1.00 24.23 N ATOM 335 CA ASN A 22 -9.300 -11.862 -2.559 1.00 5.30 C ATOM 336 C ASN A 22 -10.513 -11.910 -1.636 1.00 11.44 C ATOM 337 O ASN A 22 -10.411 -12.322 -0.481 1.00 72.11 O ATOM 338 CB ASN A 22 -8.982 -13.266 -3.076 1.00 32.53 C ATOM 339 CG ASN A 22 -9.362 -13.446 -4.533 1.00 32.12 C ATOM 340 OD1 ASN A 22 -10.500 -13.189 -4.925 1.00 54.12 O ATOM 341 ND2 ASN A 22 -8.408 -13.890 -5.343 1.00 20.04 N ATOM 0 H ASN A 22 -7.501 -11.999 -1.491 1.00 24.23 H new ATOM 0 HA ASN A 22 -9.535 -11.215 -3.405 1.00 5.30 H new ATOM 0 HB2 ASN A 22 -7.917 -13.462 -2.954 1.00 32.53 H new ATOM 0 HB3 ASN A 22 -9.513 -14.002 -2.471 1.00 32.53 H new ATOM 0 HD21 ASN A 22 -8.605 -14.031 -6.334 1.00 20.04 H new ATOM 0 HD22 ASN A 22 -7.478 -14.090 -4.974 1.00 20.04 H new ATOM 348 N ASN A 23 -11.661 -11.485 -2.154 1.00 11.15 N ATOM 349 CA ASN A 23 -12.895 -11.479 -1.376 1.00 22.32 C ATOM 350 C ASN A 23 -12.686 -10.791 -0.030 1.00 54.13 C ATOM 351 O ASN A 23 -12.773 -11.409 1.031 1.00 2.22 O ATOM 352 CB ASN A 23 -13.391 -12.910 -1.158 1.00 14.11 C ATOM 353 CG ASN A 23 -14.744 -12.955 -0.473 1.00 4.51 C ATOM 354 OD1 ASN A 23 -14.854 -13.369 0.681 1.00 60.20 O ATOM 355 ND2 ASN A 23 -15.781 -12.526 -1.183 1.00 62.51 N ATOM 0 H ASN A 23 -11.763 -11.140 -3.109 1.00 11.15 H new ATOM 0 HA ASN A 23 -13.646 -10.922 -1.936 1.00 22.32 H new ATOM 0 HB2 ASN A 23 -13.456 -13.419 -2.119 1.00 14.11 H new ATOM 0 HB3 ASN A 23 -12.664 -13.456 -0.557 1.00 14.11 H new ATOM 0 HD21 ASN A 23 -16.716 -12.531 -0.775 1.00 62.51 H new ATOM 0 HD22 ASN A 23 -15.643 -12.191 -2.137 1.00 62.51 H new ATOM 362 N PRO A 24 -12.406 -9.480 -0.073 1.00 62.04 N ATOM 363 CA PRO A 24 -12.180 -8.679 1.133 1.00 15.41 C ATOM 364 C PRO A 24 -13.457 -8.478 1.943 1.00 60.51 C ATOM 365 O PRO A 24 -14.534 -8.280 1.382 1.00 55.51 O ATOM 366 CB PRO A 24 -11.682 -7.340 0.582 1.00 24.41 C ATOM 367 CG PRO A 24 -12.244 -7.265 -0.795 1.00 52.43 C ATOM 368 CD PRO A 24 -12.287 -8.679 -1.303 1.00 74.15 C ATOM 0 HA PRO A 24 -11.481 -9.161 1.817 1.00 15.41 H new ATOM 0 HB2 PRO A 24 -12.025 -6.507 1.196 1.00 24.41 H new ATOM 0 HB3 PRO A 24 -10.593 -7.298 0.568 1.00 24.41 H new ATOM 0 HG2 PRO A 24 -13.240 -6.823 -0.786 1.00 52.43 H new ATOM 0 HG3 PRO A 24 -11.623 -6.639 -1.436 1.00 52.43 H new ATOM 0 HD2 PRO A 24 -13.133 -8.840 -1.971 1.00 74.15 H new ATOM 0 HD3 PRO A 24 -11.386 -8.933 -1.862 1.00 74.15 H new ATOM 376 N SER A 25 -13.328 -8.532 3.265 1.00 73.22 N ATOM 377 CA SER A 25 -14.473 -8.360 4.152 1.00 61.02 C ATOM 378 C SER A 25 -14.630 -6.898 4.558 1.00 1.04 C ATOM 379 O SER A 25 -13.676 -6.122 4.504 1.00 74.21 O ATOM 380 CB SER A 25 -14.315 -9.234 5.398 1.00 52.42 C ATOM 381 OG SER A 25 -15.192 -10.346 5.355 1.00 13.22 O ATOM 0 H SER A 25 -12.443 -8.693 3.745 1.00 73.22 H new ATOM 0 HA SER A 25 -15.369 -8.667 3.613 1.00 61.02 H new ATOM 0 HB2 SER A 25 -13.285 -9.582 5.474 1.00 52.42 H new ATOM 0 HB3 SER A 25 -14.518 -8.641 6.290 1.00 52.42 H new ATOM 0 HG SER A 25 -15.071 -10.890 6.161 1.00 13.22 H new ATOM 387 N GLU A 26 -15.841 -6.530 4.966 1.00 62.41 N ATOM 388 CA GLU A 26 -16.123 -5.161 5.381 1.00 34.40 C ATOM 389 C GLU A 26 -15.214 -4.743 6.533 1.00 61.32 C ATOM 390 O GLU A 26 -14.881 -3.567 6.680 1.00 71.24 O ATOM 391 CB GLU A 26 -17.589 -5.024 5.798 1.00 11.33 C ATOM 392 CG GLU A 26 -18.447 -4.295 4.778 1.00 44.45 C ATOM 393 CD GLU A 26 -19.732 -3.756 5.374 1.00 12.31 C ATOM 394 OE1 GLU A 26 -19.671 -3.135 6.456 1.00 45.33 O ATOM 395 OE2 GLU A 26 -20.800 -3.955 4.758 1.00 35.04 O ATOM 0 H GLU A 26 -16.641 -7.160 5.018 1.00 62.41 H new ATOM 0 HA GLU A 26 -15.930 -4.504 4.533 1.00 34.40 H new ATOM 0 HB2 GLU A 26 -18.004 -6.018 5.966 1.00 11.33 H new ATOM 0 HB3 GLU A 26 -17.639 -4.493 6.748 1.00 11.33 H new ATOM 0 HG2 GLU A 26 -17.876 -3.471 4.351 1.00 44.45 H new ATOM 0 HG3 GLU A 26 -18.687 -4.974 3.960 1.00 44.45 H new ATOM 402 N ASP A 27 -14.816 -5.715 7.347 1.00 12.41 N ATOM 403 CA ASP A 27 -13.945 -5.449 8.486 1.00 40.10 C ATOM 404 C ASP A 27 -12.533 -5.105 8.021 1.00 31.44 C ATOM 405 O ASP A 27 -11.949 -4.115 8.461 1.00 72.43 O ATOM 406 CB ASP A 27 -13.908 -6.659 9.420 1.00 25.41 C ATOM 407 CG ASP A 27 -14.247 -6.296 10.852 1.00 23.14 C ATOM 408 OD1 ASP A 27 -15.449 -6.280 11.192 1.00 24.01 O ATOM 409 OD2 ASP A 27 -13.310 -6.029 11.634 1.00 53.42 O ATOM 0 H ASP A 27 -15.083 -6.694 7.239 1.00 12.41 H new ATOM 0 HA ASP A 27 -14.348 -4.594 9.029 1.00 40.10 H new ATOM 0 HB2 ASP A 27 -14.611 -7.411 9.063 1.00 25.41 H new ATOM 0 HB3 ASP A 27 -12.916 -7.109 9.388 1.00 25.41 H new ATOM 414 N GLU A 28 -11.991 -5.931 7.132 1.00 41.04 N ATOM 415 CA GLU A 28 -10.647 -5.715 6.610 1.00 44.32 C ATOM 416 C GLU A 28 -10.575 -4.416 5.811 1.00 34.31 C ATOM 417 O GLU A 28 -9.681 -3.596 6.018 1.00 21.10 O ATOM 418 CB GLU A 28 -10.222 -6.892 5.729 1.00 2.24 C ATOM 419 CG GLU A 28 -9.027 -7.658 6.272 1.00 1.40 C ATOM 420 CD GLU A 28 -7.766 -6.816 6.318 1.00 54.12 C ATOM 421 OE1 GLU A 28 -7.787 -5.689 5.780 1.00 44.12 O ATOM 422 OE2 GLU A 28 -6.760 -7.284 6.891 1.00 54.42 O ATOM 0 H GLU A 28 -12.462 -6.755 6.758 1.00 41.04 H new ATOM 0 HA GLU A 28 -9.965 -5.639 7.457 1.00 44.32 H new ATOM 0 HB2 GLU A 28 -11.063 -7.577 5.621 1.00 2.24 H new ATOM 0 HB3 GLU A 28 -9.983 -6.521 4.732 1.00 2.24 H new ATOM 0 HG2 GLU A 28 -9.256 -8.018 7.275 1.00 1.40 H new ATOM 0 HG3 GLU A 28 -8.851 -8.536 5.651 1.00 1.40 H new ATOM 429 N ARG A 29 -11.524 -4.238 4.898 1.00 51.34 N ATOM 430 CA ARG A 29 -11.569 -3.041 4.066 1.00 4.13 C ATOM 431 C ARG A 29 -11.754 -1.791 4.922 1.00 71.20 C ATOM 432 O ARG A 29 -11.261 -0.715 4.584 1.00 53.23 O ATOM 433 CB ARG A 29 -12.703 -3.145 3.045 1.00 65.52 C ATOM 434 CG ARG A 29 -12.329 -3.931 1.798 1.00 2.13 C ATOM 435 CD ARG A 29 -13.563 -4.436 1.067 1.00 21.14 C ATOM 436 NE ARG A 29 -14.379 -3.341 0.549 1.00 23.32 N ATOM 437 CZ ARG A 29 -15.659 -3.471 0.220 1.00 50.04 C ATOM 438 NH1 ARG A 29 -16.266 -4.642 0.354 1.00 13.11 N ATOM 439 NH2 ARG A 29 -16.335 -2.428 -0.245 1.00 43.22 N ATOM 0 H ARG A 29 -12.272 -4.907 4.715 1.00 51.34 H new ATOM 0 HA ARG A 29 -10.620 -2.961 3.537 1.00 4.13 H new ATOM 0 HB2 ARG A 29 -13.564 -3.618 3.518 1.00 65.52 H new ATOM 0 HB3 ARG A 29 -13.011 -2.141 2.753 1.00 65.52 H new ATOM 0 HG2 ARG A 29 -11.743 -3.299 1.131 1.00 2.13 H new ATOM 0 HG3 ARG A 29 -11.698 -4.775 2.075 1.00 2.13 H new ATOM 0 HD2 ARG A 29 -13.258 -5.081 0.243 1.00 21.14 H new ATOM 0 HD3 ARG A 29 -14.162 -5.045 1.744 1.00 21.14 H new ATOM 0 HE ARG A 29 -13.942 -2.427 0.434 1.00 23.32 H new ATOM 0 HH11 ARG A 29 -15.750 -5.446 0.711 1.00 13.11 H new ATOM 0 HH12 ARG A 29 -17.249 -4.739 0.100 1.00 13.11 H new ATOM 0 HH21 ARG A 29 -15.871 -1.525 -0.350 1.00 43.22 H new ATOM 0 HH22 ARG A 29 -17.318 -2.529 -0.497 1.00 43.22 H new ATOM 453 N LYS A 30 -12.469 -1.941 6.032 1.00 24.31 N ATOM 454 CA LYS A 30 -12.720 -0.826 6.938 1.00 64.43 C ATOM 455 C LYS A 30 -11.442 -0.418 7.665 1.00 54.13 C ATOM 456 O LYS A 30 -11.183 0.769 7.866 1.00 24.41 O ATOM 457 CB LYS A 30 -13.800 -1.202 7.954 1.00 10.34 C ATOM 458 CG LYS A 30 -14.061 -0.123 8.991 1.00 3.22 C ATOM 459 CD LYS A 30 -15.453 -0.246 9.586 1.00 15.11 C ATOM 460 CE LYS A 30 -15.609 -1.535 10.378 1.00 74.23 C ATOM 461 NZ LYS A 30 -15.972 -1.274 11.798 1.00 10.41 N ATOM 0 H LYS A 30 -12.885 -2.825 6.326 1.00 24.31 H new ATOM 0 HA LYS A 30 -13.066 0.021 6.346 1.00 64.43 H new ATOM 0 HB2 LYS A 30 -14.728 -1.416 7.423 1.00 10.34 H new ATOM 0 HB3 LYS A 30 -13.505 -2.120 8.463 1.00 10.34 H new ATOM 0 HG2 LYS A 30 -13.318 -0.193 9.785 1.00 3.22 H new ATOM 0 HG3 LYS A 30 -13.946 0.859 8.532 1.00 3.22 H new ATOM 0 HD2 LYS A 30 -15.649 0.607 10.235 1.00 15.11 H new ATOM 0 HD3 LYS A 30 -16.195 -0.216 8.788 1.00 15.11 H new ATOM 0 HE2 LYS A 30 -16.377 -2.155 9.915 1.00 74.23 H new ATOM 0 HE3 LYS A 30 -14.678 -2.100 10.339 1.00 74.23 H new ATOM 0 HZ1 LYS A 30 -16.069 -2.178 12.303 1.00 10.41 H new ATOM 0 HZ2 LYS A 30 -15.227 -0.704 12.248 1.00 10.41 H new ATOM 0 HZ3 LYS A 30 -16.874 -0.757 11.836 1.00 10.41 H new ATOM 475 N LYS A 31 -10.647 -1.408 8.056 1.00 50.14 N ATOM 476 CA LYS A 31 -9.395 -1.152 8.758 1.00 70.42 C ATOM 477 C LYS A 31 -8.436 -0.348 7.886 1.00 72.45 C ATOM 478 O LYS A 31 -7.917 0.685 8.308 1.00 43.12 O ATOM 479 CB LYS A 31 -8.740 -2.472 9.172 1.00 70.13 C ATOM 480 CG LYS A 31 -7.328 -2.309 9.708 1.00 14.52 C ATOM 481 CD LYS A 31 -6.305 -2.960 8.793 1.00 52.31 C ATOM 482 CE LYS A 31 -5.760 -4.247 9.393 1.00 42.43 C ATOM 483 NZ LYS A 31 -5.103 -4.011 10.708 1.00 11.33 N ATOM 0 H LYS A 31 -10.848 -2.396 7.899 1.00 50.14 H new ATOM 0 HA LYS A 31 -9.621 -0.569 9.651 1.00 70.42 H new ATOM 0 HB2 LYS A 31 -9.356 -2.950 9.934 1.00 70.13 H new ATOM 0 HB3 LYS A 31 -8.718 -3.142 8.313 1.00 70.13 H new ATOM 0 HG2 LYS A 31 -7.099 -1.249 9.815 1.00 14.52 H new ATOM 0 HG3 LYS A 31 -7.262 -2.751 10.702 1.00 14.52 H new ATOM 0 HD2 LYS A 31 -6.763 -3.173 7.827 1.00 52.31 H new ATOM 0 HD3 LYS A 31 -5.484 -2.266 8.611 1.00 52.31 H new ATOM 0 HE2 LYS A 31 -6.573 -4.963 9.516 1.00 42.43 H new ATOM 0 HE3 LYS A 31 -5.043 -4.694 8.704 1.00 42.43 H new ATOM 0 HZ1 LYS A 31 -4.345 -4.709 10.847 1.00 11.33 H new ATOM 0 HZ2 LYS A 31 -4.700 -3.053 10.728 1.00 11.33 H new ATOM 0 HZ3 LYS A 31 -5.805 -4.107 11.469 1.00 11.33 H new ATOM 497 N ILE A 32 -8.208 -0.828 6.668 1.00 64.42 N ATOM 498 CA ILE A 32 -7.313 -0.152 5.736 1.00 35.22 C ATOM 499 C ILE A 32 -7.877 1.202 5.318 1.00 25.15 C ATOM 500 O ILE A 32 -7.141 2.182 5.202 1.00 0.20 O ATOM 501 CB ILE A 32 -7.065 -1.003 4.477 1.00 41.14 C ATOM 502 CG1 ILE A 32 -6.054 -2.112 4.775 1.00 43.32 C ATOM 503 CG2 ILE A 32 -6.576 -0.126 3.333 1.00 31.14 C ATOM 504 CD1 ILE A 32 -5.859 -3.077 3.627 1.00 75.14 C ATOM 0 H ILE A 32 -8.630 -1.682 6.303 1.00 64.42 H new ATOM 0 HA ILE A 32 -6.367 -0.004 6.257 1.00 35.22 H new ATOM 0 HB ILE A 32 -8.006 -1.466 4.178 1.00 41.14 H new ATOM 0 HG12 ILE A 32 -5.094 -1.660 5.026 1.00 43.32 H new ATOM 0 HG13 ILE A 32 -6.384 -2.667 5.653 1.00 43.32 H new ATOM 0 HG21 ILE A 32 -6.405 -0.742 2.450 1.00 31.14 H new ATOM 0 HG22 ILE A 32 -7.327 0.631 3.108 1.00 31.14 H new ATOM 0 HG23 ILE A 32 -5.645 0.362 3.621 1.00 31.14 H new ATOM 0 HD11 ILE A 32 -5.129 -3.836 3.909 1.00 75.14 H new ATOM 0 HD12 ILE A 32 -6.808 -3.557 3.390 1.00 75.14 H new ATOM 0 HD13 ILE A 32 -5.499 -2.535 2.753 1.00 75.14 H new ATOM 516 N ARG A 33 -9.186 1.249 5.096 1.00 0.01 N ATOM 517 CA ARG A 33 -9.848 2.483 4.692 1.00 14.31 C ATOM 518 C ARG A 33 -9.901 3.476 5.850 1.00 40.24 C ATOM 519 O ARG A 33 -10.055 4.680 5.642 1.00 63.24 O ATOM 520 CB ARG A 33 -11.265 2.188 4.195 1.00 64.13 C ATOM 521 CG ARG A 33 -11.921 3.364 3.491 1.00 44.43 C ATOM 522 CD ARG A 33 -13.324 3.617 4.019 1.00 52.35 C ATOM 523 NE ARG A 33 -13.313 4.086 5.402 1.00 64.32 N ATOM 524 CZ ARG A 33 -14.407 4.432 6.069 1.00 14.35 C ATOM 525 NH1 ARG A 33 -15.595 4.363 5.484 1.00 41.12 N ATOM 526 NH2 ARG A 33 -14.316 4.849 7.326 1.00 63.20 N ATOM 0 H ARG A 33 -9.809 0.447 5.189 1.00 0.01 H new ATOM 0 HA ARG A 33 -9.270 2.927 3.881 1.00 14.31 H new ATOM 0 HB2 ARG A 33 -11.232 1.339 3.512 1.00 64.13 H new ATOM 0 HB3 ARG A 33 -11.884 1.892 5.042 1.00 64.13 H new ATOM 0 HG2 ARG A 33 -11.312 4.258 3.629 1.00 44.43 H new ATOM 0 HG3 ARG A 33 -11.964 3.170 2.419 1.00 44.43 H new ATOM 0 HD2 ARG A 33 -13.820 4.356 3.390 1.00 52.35 H new ATOM 0 HD3 ARG A 33 -13.907 2.699 3.952 1.00 52.35 H new ATOM 0 HE ARG A 33 -12.415 4.151 5.882 1.00 64.32 H new ATOM 0 HH11 ARG A 33 -15.670 4.043 4.518 1.00 41.12 H new ATOM 0 HH12 ARG A 33 -16.434 4.630 6.000 1.00 41.12 H new ATOM 0 HH21 ARG A 33 -13.404 4.904 7.780 1.00 63.20 H new ATOM 0 HH22 ARG A 33 -15.158 5.115 7.837 1.00 63.20 H new ATOM 540 N ASP A 34 -9.773 2.963 7.068 1.00 0.23 N ATOM 541 CA ASP A 34 -9.805 3.804 8.259 1.00 13.41 C ATOM 542 C ASP A 34 -8.393 4.101 8.753 1.00 1.32 C ATOM 543 O ASP A 34 -8.207 4.661 9.834 1.00 2.43 O ATOM 544 CB ASP A 34 -10.614 3.127 9.366 1.00 34.12 C ATOM 545 CG ASP A 34 -10.901 4.059 10.527 1.00 24.12 C ATOM 546 OD1 ASP A 34 -10.849 5.291 10.326 1.00 32.44 O ATOM 547 OD2 ASP A 34 -11.177 3.557 11.636 1.00 20.44 O ATOM 0 H ASP A 34 -9.646 1.969 7.257 1.00 0.23 H new ATOM 0 HA ASP A 34 -10.284 4.747 7.995 1.00 13.41 H new ATOM 0 HB2 ASP A 34 -11.556 2.764 8.954 1.00 34.12 H new ATOM 0 HB3 ASP A 34 -10.069 2.256 9.729 1.00 34.12 H new ATOM 552 N LEU A 35 -7.401 3.722 7.956 1.00 62.34 N ATOM 553 CA LEU A 35 -6.004 3.946 8.312 1.00 50.21 C ATOM 554 C LEU A 35 -5.686 5.437 8.353 1.00 5.42 C ATOM 555 O LEU A 35 -6.395 6.265 7.781 1.00 72.20 O ATOM 556 CB LEU A 35 -5.083 3.244 7.313 1.00 71.13 C ATOM 557 CG LEU A 35 -4.814 1.762 7.575 1.00 74.43 C ATOM 558 CD1 LEU A 35 -4.048 1.145 6.415 1.00 25.12 C ATOM 559 CD2 LEU A 35 -4.050 1.580 8.878 1.00 15.33 C ATOM 0 H LEU A 35 -7.538 3.258 7.058 1.00 62.34 H new ATOM 0 HA LEU A 35 -5.836 3.529 9.305 1.00 50.21 H new ATOM 0 HB2 LEU A 35 -5.516 3.344 6.318 1.00 71.13 H new ATOM 0 HB3 LEU A 35 -4.128 3.769 7.299 1.00 71.13 H new ATOM 0 HG LEU A 35 -5.772 1.249 7.665 1.00 74.43 H new ATOM 0 HD11 LEU A 35 -3.866 0.090 6.619 1.00 25.12 H new ATOM 0 HD12 LEU A 35 -4.633 1.242 5.500 1.00 25.12 H new ATOM 0 HD13 LEU A 35 -3.096 1.661 6.293 1.00 25.12 H new ATOM 0 HD21 LEU A 35 -3.868 0.519 9.048 1.00 15.33 H new ATOM 0 HD22 LEU A 35 -3.098 2.107 8.818 1.00 15.33 H new ATOM 0 HD23 LEU A 35 -4.637 1.984 9.703 1.00 15.33 H new ATOM 571 N PRO A 36 -4.591 5.790 9.044 1.00 15.14 N ATOM 572 CA PRO A 36 -4.152 7.183 9.174 1.00 31.55 C ATOM 573 C PRO A 36 -3.625 7.749 7.861 1.00 45.12 C ATOM 574 O PRO A 36 -2.655 7.238 7.299 1.00 51.51 O ATOM 575 CB PRO A 36 -3.030 7.105 10.212 1.00 23.24 C ATOM 576 CG PRO A 36 -2.514 5.711 10.109 1.00 31.02 C ATOM 577 CD PRO A 36 -3.699 4.857 9.752 1.00 62.44 C ATOM 0 HA PRO A 36 -4.970 7.844 9.460 1.00 31.55 H new ATOM 0 HB2 PRO A 36 -2.246 7.833 10.003 1.00 23.24 H new ATOM 0 HB3 PRO A 36 -3.403 7.316 11.214 1.00 23.24 H new ATOM 0 HG2 PRO A 36 -1.737 5.638 9.348 1.00 31.02 H new ATOM 0 HG3 PRO A 36 -2.070 5.389 11.051 1.00 31.02 H new ATOM 0 HD2 PRO A 36 -3.413 4.017 9.120 1.00 62.44 H new ATOM 0 HD3 PRO A 36 -4.176 4.440 10.639 1.00 62.44 H new ATOM 585 N ILE A 37 -4.268 8.806 7.377 1.00 3.30 N ATOM 586 CA ILE A 37 -3.861 9.442 6.130 1.00 14.41 C ATOM 587 C ILE A 37 -2.528 10.164 6.290 1.00 2.34 C ATOM 588 O ILE A 37 -1.721 10.213 5.362 1.00 22.41 O ATOM 589 CB ILE A 37 -4.920 10.447 5.639 1.00 15.24 C ATOM 590 CG1 ILE A 37 -5.273 11.435 6.754 1.00 60.24 C ATOM 591 CG2 ILE A 37 -6.165 9.714 5.161 1.00 64.11 C ATOM 592 CD1 ILE A 37 -6.248 12.509 6.323 1.00 24.53 C ATOM 0 H ILE A 37 -5.073 9.240 7.829 1.00 3.30 H new ATOM 0 HA ILE A 37 -3.755 8.648 5.391 1.00 14.41 H new ATOM 0 HB ILE A 37 -4.507 11.007 4.800 1.00 15.24 H new ATOM 0 HG12 ILE A 37 -5.698 10.886 7.594 1.00 60.24 H new ATOM 0 HG13 ILE A 37 -4.359 11.908 7.112 1.00 60.24 H new ATOM 0 HG21 ILE A 37 -6.904 10.438 4.817 1.00 64.11 H new ATOM 0 HG22 ILE A 37 -5.902 9.047 4.340 1.00 64.11 H new ATOM 0 HG23 ILE A 37 -6.582 9.132 5.983 1.00 64.11 H new ATOM 0 HD11 ILE A 37 -6.453 13.173 7.163 1.00 24.53 H new ATOM 0 HD12 ILE A 37 -5.817 13.083 5.503 1.00 24.53 H new ATOM 0 HD13 ILE A 37 -7.177 12.045 5.992 1.00 24.53 H new ATOM 604 N SER A 38 -2.302 10.723 7.475 1.00 12.12 N ATOM 605 CA SER A 38 -1.067 11.445 7.757 1.00 22.53 C ATOM 606 C SER A 38 0.127 10.494 7.768 1.00 12.34 C ATOM 607 O SER A 38 1.277 10.922 7.660 1.00 31.02 O ATOM 608 CB SER A 38 -1.169 12.168 9.101 1.00 15.23 C ATOM 609 OG SER A 38 -1.923 13.362 8.981 1.00 11.24 O ATOM 0 H SER A 38 -2.958 10.690 8.255 1.00 12.12 H new ATOM 0 HA SER A 38 -0.917 12.181 6.967 1.00 22.53 H new ATOM 0 HB2 SER A 38 -1.635 11.512 9.836 1.00 15.23 H new ATOM 0 HB3 SER A 38 -0.170 12.400 9.469 1.00 15.23 H new ATOM 0 HG SER A 38 -1.975 13.805 9.854 1.00 11.24 H new ATOM 615 N LEU A 39 -0.155 9.203 7.900 1.00 63.20 N ATOM 616 CA LEU A 39 0.895 8.190 7.925 1.00 33.34 C ATOM 617 C LEU A 39 1.420 7.914 6.520 1.00 12.20 C ATOM 618 O LEU A 39 2.579 7.540 6.341 1.00 31.34 O ATOM 619 CB LEU A 39 0.367 6.896 8.548 1.00 71.13 C ATOM 620 CG LEU A 39 1.349 6.128 9.433 1.00 33.41 C ATOM 621 CD1 LEU A 39 0.630 5.529 10.632 1.00 21.22 C ATOM 622 CD2 LEU A 39 2.051 5.041 8.632 1.00 31.33 C ATOM 0 H LEU A 39 -1.101 8.833 7.991 1.00 63.20 H new ATOM 0 HA LEU A 39 1.717 8.569 8.531 1.00 33.34 H new ATOM 0 HB2 LEU A 39 -0.515 7.136 9.142 1.00 71.13 H new ATOM 0 HB3 LEU A 39 0.041 6.236 7.744 1.00 71.13 H new ATOM 0 HG LEU A 39 2.102 6.826 9.798 1.00 33.41 H new ATOM 0 HD11 LEU A 39 1.344 4.986 11.251 1.00 21.22 H new ATOM 0 HD12 LEU A 39 0.174 6.327 11.219 1.00 21.22 H new ATOM 0 HD13 LEU A 39 -0.145 4.844 10.287 1.00 21.22 H new ATOM 0 HD21 LEU A 39 2.746 4.505 9.278 1.00 31.33 H new ATOM 0 HD22 LEU A 39 1.311 4.345 8.237 1.00 31.33 H new ATOM 0 HD23 LEU A 39 2.599 5.494 7.806 1.00 31.33 H new ATOM 634 N PHE A 40 0.560 8.104 5.525 1.00 53.11 N ATOM 635 CA PHE A 40 0.937 7.877 4.135 1.00 40.33 C ATOM 636 C PHE A 40 0.676 9.121 3.290 1.00 3.45 C ATOM 637 O PHE A 40 -0.469 9.539 3.118 1.00 30.20 O ATOM 638 CB PHE A 40 0.164 6.687 3.562 1.00 42.41 C ATOM 639 CG PHE A 40 0.006 5.552 4.533 1.00 55.42 C ATOM 640 CD1 PHE A 40 -1.064 5.521 5.413 1.00 2.04 C ATOM 641 CD2 PHE A 40 0.925 4.517 4.564 1.00 22.44 C ATOM 642 CE1 PHE A 40 -1.212 4.478 6.308 1.00 4.12 C ATOM 643 CE2 PHE A 40 0.782 3.471 5.457 1.00 64.32 C ATOM 644 CZ PHE A 40 -0.288 3.451 6.329 1.00 11.21 C ATOM 0 H PHE A 40 -0.403 8.415 5.655 1.00 53.11 H new ATOM 0 HA PHE A 40 2.004 7.657 4.106 1.00 40.33 H new ATOM 0 HB2 PHE A 40 -0.823 7.024 3.245 1.00 42.41 H new ATOM 0 HB3 PHE A 40 0.678 6.324 2.672 1.00 42.41 H new ATOM 0 HD1 PHE A 40 -1.790 6.320 5.399 1.00 2.04 H new ATOM 0 HD2 PHE A 40 1.763 4.527 3.883 1.00 22.44 H new ATOM 0 HE1 PHE A 40 -2.049 4.466 6.990 1.00 4.12 H new ATOM 0 HE2 PHE A 40 1.507 2.670 5.472 1.00 64.32 H new ATOM 0 HZ PHE A 40 -0.403 2.634 7.026 1.00 11.21 H new ATOM 654 N ASP A 41 1.747 9.709 2.767 1.00 33.05 N ATOM 655 CA ASP A 41 1.635 10.905 1.941 1.00 41.12 C ATOM 656 C ASP A 41 0.621 10.698 0.820 1.00 12.42 C ATOM 657 O ASP A 41 -0.026 11.645 0.372 1.00 10.52 O ATOM 658 CB ASP A 41 2.998 11.272 1.351 1.00 53.31 C ATOM 659 CG ASP A 41 3.887 11.986 2.349 1.00 4.14 C ATOM 660 OD1 ASP A 41 3.457 13.026 2.890 1.00 51.35 O ATOM 661 OD2 ASP A 41 5.015 11.505 2.590 1.00 13.12 O ATOM 0 H ASP A 41 2.702 9.377 2.901 1.00 33.05 H new ATOM 0 HA ASP A 41 1.289 11.723 2.573 1.00 41.12 H new ATOM 0 HB2 ASP A 41 3.497 10.366 1.007 1.00 53.31 H new ATOM 0 HB3 ASP A 41 2.853 11.908 0.478 1.00 53.31 H new ATOM 666 N TYR A 42 0.488 9.455 0.371 1.00 1.33 N ATOM 667 CA TYR A 42 -0.445 9.125 -0.699 1.00 63.15 C ATOM 668 C TYR A 42 -1.179 7.821 -0.400 1.00 2.54 C ATOM 669 O TYR A 42 -0.557 6.786 -0.160 1.00 11.24 O ATOM 670 CB TYR A 42 0.296 9.011 -2.033 1.00 24.33 C ATOM 671 CG TYR A 42 -0.596 8.621 -3.190 1.00 4.22 C ATOM 672 CD1 TYR A 42 -1.916 9.050 -3.250 1.00 2.42 C ATOM 673 CD2 TYR A 42 -0.119 7.823 -4.222 1.00 42.34 C ATOM 674 CE1 TYR A 42 -2.735 8.697 -4.305 1.00 23.54 C ATOM 675 CE2 TYR A 42 -0.930 7.466 -5.282 1.00 20.32 C ATOM 676 CZ TYR A 42 -2.237 7.905 -5.318 1.00 71.53 C ATOM 677 OH TYR A 42 -3.049 7.549 -6.371 1.00 41.31 O ATOM 0 H TYR A 42 1.015 8.659 0.732 1.00 1.33 H new ATOM 0 HA TYR A 42 -1.180 9.927 -0.766 1.00 63.15 H new ATOM 0 HB2 TYR A 42 0.772 9.966 -2.258 1.00 24.33 H new ATOM 0 HB3 TYR A 42 1.093 8.273 -1.935 1.00 24.33 H new ATOM 0 HD1 TYR A 42 -2.309 9.670 -2.458 1.00 2.42 H new ATOM 0 HD2 TYR A 42 0.903 7.476 -4.195 1.00 42.34 H new ATOM 0 HE1 TYR A 42 -3.759 9.039 -4.336 1.00 23.54 H new ATOM 0 HE2 TYR A 42 -0.543 6.847 -6.078 1.00 20.32 H new ATOM 0 HH TYR A 42 -3.975 7.800 -6.170 1.00 41.31 H new ATOM 687 N PHE A 43 -2.506 7.881 -0.416 1.00 33.41 N ATOM 688 CA PHE A 43 -3.327 6.706 -0.146 1.00 31.04 C ATOM 689 C PHE A 43 -4.440 6.570 -1.181 1.00 2.10 C ATOM 690 O PHE A 43 -5.328 7.419 -1.268 1.00 62.30 O ATOM 691 CB PHE A 43 -3.929 6.790 1.259 1.00 52.45 C ATOM 692 CG PHE A 43 -4.014 5.462 1.955 1.00 4.53 C ATOM 693 CD1 PHE A 43 -4.064 4.285 1.227 1.00 24.10 C ATOM 694 CD2 PHE A 43 -4.044 5.392 3.339 1.00 63.02 C ATOM 695 CE1 PHE A 43 -4.141 3.061 1.865 1.00 0.21 C ATOM 696 CE2 PHE A 43 -4.121 4.171 3.982 1.00 5.34 C ATOM 697 CZ PHE A 43 -4.171 3.005 3.245 1.00 65.43 C ATOM 0 H PHE A 43 -3.036 8.730 -0.613 1.00 33.41 H new ATOM 0 HA PHE A 43 -2.688 5.825 -0.208 1.00 31.04 H new ATOM 0 HB2 PHE A 43 -3.328 7.470 1.863 1.00 52.45 H new ATOM 0 HB3 PHE A 43 -4.928 7.221 1.192 1.00 52.45 H new ATOM 0 HD1 PHE A 43 -4.043 4.324 0.148 1.00 24.10 H new ATOM 0 HD2 PHE A 43 -4.007 6.301 3.921 1.00 63.02 H new ATOM 0 HE1 PHE A 43 -4.178 2.150 1.286 1.00 0.21 H new ATOM 0 HE2 PHE A 43 -4.142 4.129 5.061 1.00 5.34 H new ATOM 0 HZ PHE A 43 -4.233 2.050 3.746 1.00 65.43 H new ATOM 707 N ILE A 44 -4.384 5.498 -1.963 1.00 62.35 N ATOM 708 CA ILE A 44 -5.386 5.250 -2.992 1.00 52.23 C ATOM 709 C ILE A 44 -5.806 3.784 -3.009 1.00 52.42 C ATOM 710 O ILE A 44 -4.992 2.897 -3.263 1.00 63.13 O ATOM 711 CB ILE A 44 -4.868 5.640 -4.389 1.00 44.20 C ATOM 712 CG1 ILE A 44 -5.840 5.163 -5.470 1.00 12.34 C ATOM 713 CG2 ILE A 44 -3.482 5.057 -4.621 1.00 62.03 C ATOM 714 CD1 ILE A 44 -6.101 6.194 -6.546 1.00 1.15 C ATOM 0 H ILE A 44 -3.655 4.787 -1.904 1.00 62.35 H new ATOM 0 HA ILE A 44 -6.249 5.870 -2.747 1.00 52.23 H new ATOM 0 HB ILE A 44 -4.799 6.726 -4.444 1.00 44.20 H new ATOM 0 HG12 ILE A 44 -5.442 4.260 -5.932 1.00 12.34 H new ATOM 0 HG13 ILE A 44 -6.786 4.891 -5.002 1.00 12.34 H new ATOM 0 HG21 ILE A 44 -3.129 5.341 -5.612 1.00 62.03 H new ATOM 0 HG22 ILE A 44 -2.795 5.441 -3.867 1.00 62.03 H new ATOM 0 HG23 ILE A 44 -3.528 3.970 -4.550 1.00 62.03 H new ATOM 0 HD11 ILE A 44 -6.799 5.787 -7.278 1.00 1.15 H new ATOM 0 HD12 ILE A 44 -6.529 7.090 -6.096 1.00 1.15 H new ATOM 0 HD13 ILE A 44 -5.164 6.449 -7.041 1.00 1.15 H new ATOM 726 N VAL A 45 -7.084 3.537 -2.739 1.00 0.44 N ATOM 727 CA VAL A 45 -7.614 2.179 -2.726 1.00 1.15 C ATOM 728 C VAL A 45 -8.772 2.032 -3.706 1.00 30.30 C ATOM 729 O VAL A 45 -9.593 2.936 -3.854 1.00 21.00 O ATOM 730 CB VAL A 45 -8.093 1.777 -1.318 1.00 10.10 C ATOM 731 CG1 VAL A 45 -8.192 0.264 -1.199 1.00 71.14 C ATOM 732 CG2 VAL A 45 -7.162 2.343 -0.257 1.00 2.43 C ATOM 0 H VAL A 45 -7.771 4.260 -2.526 1.00 0.44 H new ATOM 0 HA VAL A 45 -6.801 1.519 -3.027 1.00 1.15 H new ATOM 0 HB VAL A 45 -9.087 2.196 -1.158 1.00 10.10 H new ATOM 0 HG11 VAL A 45 -8.532 -0.001 -0.198 1.00 71.14 H new ATOM 0 HG12 VAL A 45 -8.902 -0.113 -1.935 1.00 71.14 H new ATOM 0 HG13 VAL A 45 -7.213 -0.180 -1.379 1.00 71.14 H new ATOM 0 HG21 VAL A 45 -7.515 2.049 0.731 1.00 2.43 H new ATOM 0 HG22 VAL A 45 -6.155 1.955 -0.412 1.00 2.43 H new ATOM 0 HG23 VAL A 45 -7.147 3.431 -0.329 1.00 2.43 H new ATOM 742 N GLY A 46 -8.832 0.884 -4.374 1.00 71.34 N ATOM 743 CA GLY A 46 -9.894 0.638 -5.333 1.00 22.04 C ATOM 744 C GLY A 46 -10.501 -0.743 -5.184 1.00 63.11 C ATOM 745 O GLY A 46 -9.792 -1.713 -4.916 1.00 74.15 O ATOM 0 H GLY A 46 -8.165 0.120 -4.268 1.00 71.34 H new ATOM 0 HA2 GLY A 46 -10.674 1.390 -5.208 1.00 22.04 H new ATOM 0 HA3 GLY A 46 -9.501 0.752 -6.343 1.00 22.04 H new ATOM 749 N GLU A 47 -11.816 -0.832 -5.357 1.00 2.34 N ATOM 750 CA GLU A 47 -12.517 -2.105 -5.237 1.00 52.43 C ATOM 751 C GLU A 47 -12.695 -2.758 -6.605 1.00 25.33 C ATOM 752 O GLU A 47 -13.087 -2.104 -7.570 1.00 72.10 O ATOM 753 CB GLU A 47 -13.882 -1.900 -4.577 1.00 31.24 C ATOM 754 CG GLU A 47 -14.736 -3.157 -4.543 1.00 11.54 C ATOM 755 CD GLU A 47 -15.115 -3.566 -3.133 1.00 34.12 C ATOM 756 OE1 GLU A 47 -14.204 -3.722 -2.294 1.00 64.00 O ATOM 757 OE2 GLU A 47 -16.325 -3.731 -2.869 1.00 1.54 O ATOM 0 H GLU A 47 -12.417 -0.039 -5.580 1.00 2.34 H new ATOM 0 HA GLU A 47 -11.915 -2.765 -4.613 1.00 52.43 H new ATOM 0 HB2 GLU A 47 -13.734 -1.544 -3.558 1.00 31.24 H new ATOM 0 HB3 GLU A 47 -14.421 -1.119 -5.112 1.00 31.24 H new ATOM 0 HG2 GLU A 47 -15.642 -2.992 -5.126 1.00 11.54 H new ATOM 0 HG3 GLU A 47 -14.194 -3.973 -5.021 1.00 11.54 H new ATOM 764 N GLU A 48 -12.401 -4.053 -6.678 1.00 14.03 N ATOM 765 CA GLU A 48 -12.527 -4.795 -7.927 1.00 11.31 C ATOM 766 C GLU A 48 -13.810 -5.621 -7.942 1.00 62.21 C ATOM 767 O GLU A 48 -14.101 -6.352 -6.997 1.00 32.53 O ATOM 768 CB GLU A 48 -11.316 -5.708 -8.127 1.00 72.34 C ATOM 769 CG GLU A 48 -10.810 -5.742 -9.560 1.00 21.24 C ATOM 770 CD GLU A 48 -11.239 -6.994 -10.301 1.00 12.53 C ATOM 771 OE1 GLU A 48 -12.454 -7.150 -10.545 1.00 40.15 O ATOM 772 OE2 GLU A 48 -10.362 -7.816 -10.636 1.00 25.15 O ATOM 0 H GLU A 48 -12.074 -4.609 -5.888 1.00 14.03 H new ATOM 0 HA GLU A 48 -12.570 -4.076 -8.745 1.00 11.31 H new ATOM 0 HB2 GLU A 48 -10.509 -5.376 -7.473 1.00 72.34 H new ATOM 0 HB3 GLU A 48 -11.580 -6.720 -7.819 1.00 72.34 H new ATOM 0 HG2 GLU A 48 -11.178 -4.865 -10.092 1.00 21.24 H new ATOM 0 HG3 GLU A 48 -9.722 -5.680 -9.559 1.00 21.24 H new ATOM 779 N GLY A 49 -14.573 -5.498 -9.024 1.00 35.34 N ATOM 780 CA GLY A 49 -15.816 -6.238 -9.142 1.00 71.43 C ATOM 781 C GLY A 49 -16.237 -6.437 -10.585 1.00 31.11 C ATOM 782 O GLY A 49 -17.092 -5.714 -11.094 1.00 40.31 O ATOM 0 H GLY A 49 -14.353 -4.900 -9.820 1.00 35.34 H new ATOM 0 HA2 GLY A 49 -15.704 -7.210 -8.662 1.00 71.43 H new ATOM 0 HA3 GLY A 49 -16.603 -5.707 -8.607 1.00 71.43 H new ATOM 786 N ASN A 50 -15.634 -7.420 -11.246 1.00 2.22 N ATOM 787 CA ASN A 50 -15.950 -7.710 -12.640 1.00 3.03 C ATOM 788 C ASN A 50 -17.418 -8.095 -12.796 1.00 63.01 C ATOM 789 O ASN A 50 -18.209 -7.954 -11.864 1.00 44.01 O ATOM 790 CB ASN A 50 -15.057 -8.837 -13.163 1.00 3.03 C ATOM 791 CG ASN A 50 -14.346 -8.462 -14.449 1.00 10.12 C ATOM 792 OD1 ASN A 50 -14.841 -8.727 -15.545 1.00 23.25 O ATOM 793 ND2 ASN A 50 -13.179 -7.842 -14.320 1.00 41.54 N ATOM 0 H ASN A 50 -14.924 -8.029 -10.839 1.00 2.22 H new ATOM 0 HA ASN A 50 -15.765 -6.808 -13.224 1.00 3.03 H new ATOM 0 HB2 ASN A 50 -14.318 -9.093 -12.404 1.00 3.03 H new ATOM 0 HB3 ASN A 50 -15.662 -9.728 -13.332 1.00 3.03 H new ATOM 0 HD21 ASN A 50 -12.654 -7.565 -15.150 1.00 41.54 H new ATOM 0 HD22 ASN A 50 -12.807 -7.643 -13.391 1.00 41.54 H new ATOM 800 N GLU A 51 -17.773 -8.582 -13.981 1.00 32.22 N ATOM 801 CA GLU A 51 -19.146 -8.987 -14.259 1.00 31.34 C ATOM 802 C GLU A 51 -19.634 -10.001 -13.227 1.00 42.51 C ATOM 803 O GLU A 51 -18.853 -10.503 -12.419 1.00 54.11 O ATOM 804 CB GLU A 51 -19.251 -9.583 -15.664 1.00 70.11 C ATOM 805 CG GLU A 51 -19.316 -8.538 -16.765 1.00 12.10 C ATOM 806 CD GLU A 51 -20.067 -9.026 -17.989 1.00 13.43 C ATOM 807 OE1 GLU A 51 -19.909 -10.210 -18.350 1.00 22.43 O ATOM 808 OE2 GLU A 51 -20.814 -8.222 -18.585 1.00 40.52 O ATOM 0 H GLU A 51 -17.130 -8.706 -14.763 1.00 32.22 H new ATOM 0 HA GLU A 51 -19.778 -8.101 -14.200 1.00 31.34 H new ATOM 0 HB2 GLU A 51 -18.392 -10.231 -15.840 1.00 70.11 H new ATOM 0 HB3 GLU A 51 -20.140 -10.211 -15.718 1.00 70.11 H new ATOM 0 HG2 GLU A 51 -19.800 -7.640 -16.380 1.00 12.10 H new ATOM 0 HG3 GLU A 51 -18.303 -8.256 -17.053 1.00 12.10 H new ATOM 815 N GLU A 52 -20.930 -10.295 -13.262 1.00 2.54 N ATOM 816 CA GLU A 52 -21.522 -11.246 -12.329 1.00 24.41 C ATOM 817 C GLU A 52 -20.758 -12.568 -12.342 1.00 51.51 C ATOM 818 O GLU A 52 -20.112 -12.914 -13.330 1.00 4.41 O ATOM 819 CB GLU A 52 -22.991 -11.490 -12.678 1.00 71.45 C ATOM 820 CG GLU A 52 -23.948 -11.178 -11.540 1.00 44.10 C ATOM 821 CD GLU A 52 -25.401 -11.233 -11.968 1.00 34.34 C ATOM 822 OE1 GLU A 52 -25.662 -11.555 -13.145 1.00 71.35 O ATOM 823 OE2 GLU A 52 -26.278 -10.955 -11.123 1.00 55.32 O ATOM 0 H GLU A 52 -21.589 -9.889 -13.926 1.00 2.54 H new ATOM 0 HA GLU A 52 -21.460 -10.820 -11.328 1.00 24.41 H new ATOM 0 HB2 GLU A 52 -23.256 -10.880 -13.542 1.00 71.45 H new ATOM 0 HB3 GLU A 52 -23.117 -12.532 -12.972 1.00 71.45 H new ATOM 0 HG2 GLU A 52 -23.785 -11.887 -10.729 1.00 44.10 H new ATOM 0 HG3 GLU A 52 -23.727 -10.186 -11.146 1.00 44.10 H new ATOM 830 N GLY A 53 -20.838 -13.302 -11.236 1.00 41.34 N ATOM 831 CA GLY A 53 -20.150 -14.576 -11.141 1.00 2.24 C ATOM 832 C GLY A 53 -18.776 -14.447 -10.514 1.00 4.11 C ATOM 833 O GLY A 53 -18.254 -15.405 -9.944 1.00 24.20 O ATOM 0 H GLY A 53 -21.367 -13.037 -10.405 1.00 41.34 H new ATOM 0 HA2 GLY A 53 -20.752 -15.267 -10.551 1.00 2.24 H new ATOM 0 HA3 GLY A 53 -20.052 -15.008 -12.137 1.00 2.24 H new ATOM 837 N ARG A 54 -18.187 -13.260 -10.620 1.00 54.14 N ATOM 838 CA ARG A 54 -16.864 -13.010 -10.062 1.00 30.20 C ATOM 839 C ARG A 54 -16.969 -12.367 -8.682 1.00 63.12 C ATOM 840 O ARG A 54 -17.786 -11.473 -8.462 1.00 12.22 O ATOM 841 CB ARG A 54 -16.055 -12.109 -10.996 1.00 65.13 C ATOM 842 CG ARG A 54 -14.612 -11.916 -10.557 1.00 53.53 C ATOM 843 CD ARG A 54 -13.643 -12.582 -11.520 1.00 64.25 C ATOM 844 NE ARG A 54 -12.252 -12.278 -11.195 1.00 42.41 N ATOM 845 CZ ARG A 54 -11.217 -12.738 -11.889 1.00 61.01 C ATOM 846 NH1 ARG A 54 -11.415 -13.519 -12.942 1.00 33.53 N ATOM 847 NH2 ARG A 54 -9.980 -12.416 -11.531 1.00 34.52 N ATOM 0 H ARG A 54 -18.606 -12.456 -11.088 1.00 54.14 H new ATOM 0 HA ARG A 54 -16.353 -13.968 -9.960 1.00 30.20 H new ATOM 0 HB2 ARG A 54 -16.067 -12.536 -11.999 1.00 65.13 H new ATOM 0 HB3 ARG A 54 -16.540 -11.135 -11.058 1.00 65.13 H new ATOM 0 HG2 ARG A 54 -14.389 -10.851 -10.494 1.00 53.53 H new ATOM 0 HG3 ARG A 54 -14.476 -12.330 -9.558 1.00 53.53 H new ATOM 0 HD2 ARG A 54 -13.793 -13.661 -11.497 1.00 64.25 H new ATOM 0 HD3 ARG A 54 -13.858 -12.252 -12.536 1.00 64.25 H new ATOM 0 HE ARG A 54 -12.065 -11.679 -10.391 1.00 42.41 H new ATOM 0 HH11 ARG A 54 -12.364 -13.768 -13.221 1.00 33.53 H new ATOM 0 HH12 ARG A 54 -10.618 -13.871 -13.473 1.00 33.53 H new ATOM 0 HH21 ARG A 54 -9.823 -11.815 -10.722 1.00 34.52 H new ATOM 0 HH22 ARG A 54 -9.186 -12.770 -12.065 1.00 34.52 H new ATOM 861 N THR A 55 -16.136 -12.829 -7.755 1.00 25.02 N ATOM 862 CA THR A 55 -16.135 -12.301 -6.396 1.00 51.14 C ATOM 863 C THR A 55 -15.347 -10.999 -6.313 1.00 52.41 C ATOM 864 O THR A 55 -14.507 -10.698 -7.161 1.00 53.35 O ATOM 865 CB THR A 55 -15.539 -13.313 -5.400 1.00 62.23 C ATOM 866 OG1 THR A 55 -14.805 -14.321 -6.106 1.00 12.54 O ATOM 867 CG2 THR A 55 -16.634 -13.964 -4.570 1.00 32.54 C ATOM 0 H THR A 55 -15.453 -13.568 -7.921 1.00 25.02 H new ATOM 0 HA THR A 55 -17.175 -12.111 -6.130 1.00 51.14 H new ATOM 0 HB THR A 55 -14.867 -12.777 -4.730 1.00 62.23 H new ATOM 0 HG1 THR A 55 -14.428 -14.960 -5.466 1.00 12.54 H new ATOM 0 HG21 THR A 55 -16.189 -14.675 -3.874 1.00 32.54 H new ATOM 0 HG22 THR A 55 -17.172 -13.198 -4.012 1.00 32.54 H new ATOM 0 HG23 THR A 55 -17.328 -14.487 -5.229 1.00 32.54 H new ATOM 875 N PRO A 56 -15.622 -10.206 -5.266 1.00 44.04 N ATOM 876 CA PRO A 56 -14.947 -8.923 -5.047 1.00 15.11 C ATOM 877 C PRO A 56 -13.484 -9.096 -4.657 1.00 23.53 C ATOM 878 O PRO A 56 -13.117 -10.071 -3.999 1.00 73.22 O ATOM 879 CB PRO A 56 -15.738 -8.300 -3.894 1.00 10.42 C ATOM 880 CG PRO A 56 -16.330 -9.459 -3.170 1.00 25.34 C ATOM 881 CD PRO A 56 -16.611 -10.502 -4.216 1.00 42.54 C ATOM 0 HA PRO A 56 -14.929 -8.312 -5.950 1.00 15.11 H new ATOM 0 HB2 PRO A 56 -15.091 -7.714 -3.241 1.00 10.42 H new ATOM 0 HB3 PRO A 56 -16.512 -7.627 -4.263 1.00 10.42 H new ATOM 0 HG2 PRO A 56 -15.643 -9.839 -2.415 1.00 25.34 H new ATOM 0 HG3 PRO A 56 -17.244 -9.170 -2.652 1.00 25.34 H new ATOM 0 HD2 PRO A 56 -16.488 -11.511 -3.821 1.00 42.54 H new ATOM 0 HD3 PRO A 56 -17.631 -10.429 -4.593 1.00 42.54 H new ATOM 889 N HIS A 57 -12.650 -8.145 -5.065 1.00 51.02 N ATOM 890 CA HIS A 57 -11.225 -8.193 -4.757 1.00 13.31 C ATOM 891 C HIS A 57 -10.698 -6.804 -4.408 1.00 71.05 C ATOM 892 O HIS A 57 -11.058 -5.814 -5.047 1.00 4.22 O ATOM 893 CB HIS A 57 -10.445 -8.765 -5.940 1.00 63.24 C ATOM 894 CG HIS A 57 -8.962 -8.585 -5.824 1.00 35.03 C ATOM 895 ND1 HIS A 57 -8.254 -7.671 -6.575 1.00 61.52 N ATOM 896 CD2 HIS A 57 -8.054 -9.207 -5.036 1.00 14.34 C ATOM 897 CE1 HIS A 57 -6.974 -7.740 -6.256 1.00 21.24 C ATOM 898 NE2 HIS A 57 -6.826 -8.664 -5.323 1.00 52.11 N ATOM 0 H HIS A 57 -12.936 -7.332 -5.610 1.00 51.02 H new ATOM 0 HA HIS A 57 -11.087 -8.843 -3.893 1.00 13.31 H new ATOM 0 HB2 HIS A 57 -10.668 -9.828 -6.031 1.00 63.24 H new ATOM 0 HB3 HIS A 57 -10.790 -8.287 -6.857 1.00 63.24 H new ATOM 0 HD1 HIS A 57 -8.656 -7.040 -7.269 1.00 61.52 H new ATOM 0 HD2 HIS A 57 -8.258 -9.985 -4.316 1.00 14.34 H new ATOM 0 HE1 HIS A 57 -6.183 -7.143 -6.685 1.00 21.24 H new ATOM 906 N LEU A 58 -9.845 -6.738 -3.392 1.00 60.33 N ATOM 907 CA LEU A 58 -9.268 -5.471 -2.958 1.00 54.51 C ATOM 908 C LEU A 58 -7.915 -5.232 -3.621 1.00 33.43 C ATOM 909 O LEU A 58 -7.067 -6.123 -3.657 1.00 4.13 O ATOM 910 CB LEU A 58 -9.114 -5.452 -1.436 1.00 72.44 C ATOM 911 CG LEU A 58 -9.587 -4.182 -0.729 1.00 34.12 C ATOM 912 CD1 LEU A 58 -9.245 -4.237 0.752 1.00 45.52 C ATOM 913 CD2 LEU A 58 -8.971 -2.950 -1.376 1.00 34.31 C ATOM 0 H LEU A 58 -9.538 -7.548 -2.853 1.00 60.33 H new ATOM 0 HA LEU A 58 -9.945 -4.671 -3.258 1.00 54.51 H new ATOM 0 HB2 LEU A 58 -9.664 -6.299 -1.025 1.00 72.44 H new ATOM 0 HB3 LEU A 58 -8.062 -5.607 -1.195 1.00 72.44 H new ATOM 0 HG LEU A 58 -10.670 -4.116 -0.828 1.00 34.12 H new ATOM 0 HD11 LEU A 58 -9.589 -3.325 1.239 1.00 45.52 H new ATOM 0 HD12 LEU A 58 -9.735 -5.098 1.207 1.00 45.52 H new ATOM 0 HD13 LEU A 58 -8.166 -4.328 0.873 1.00 45.52 H new ATOM 0 HD21 LEU A 58 -9.319 -2.055 -0.860 1.00 34.31 H new ATOM 0 HD22 LEU A 58 -7.885 -3.008 -1.309 1.00 34.31 H new ATOM 0 HD23 LEU A 58 -9.268 -2.903 -2.424 1.00 34.31 H new ATOM 925 N GLN A 59 -7.721 -4.025 -4.141 1.00 75.15 N ATOM 926 CA GLN A 59 -6.471 -3.670 -4.801 1.00 65.12 C ATOM 927 C GLN A 59 -6.212 -2.170 -4.707 1.00 51.11 C ATOM 928 O GLN A 59 -6.925 -1.368 -5.310 1.00 25.23 O ATOM 929 CB GLN A 59 -6.502 -4.103 -6.268 1.00 32.21 C ATOM 930 CG GLN A 59 -5.357 -3.540 -7.093 1.00 65.14 C ATOM 931 CD GLN A 59 -4.004 -4.052 -6.640 1.00 23.30 C ATOM 932 OE1 GLN A 59 -3.496 -5.045 -7.162 1.00 61.14 O ATOM 933 NE2 GLN A 59 -3.412 -3.376 -5.663 1.00 25.04 N ATOM 0 H GLN A 59 -8.413 -3.276 -4.118 1.00 75.15 H new ATOM 0 HA GLN A 59 -5.661 -4.193 -4.293 1.00 65.12 H new ATOM 0 HB2 GLN A 59 -6.473 -5.192 -6.317 1.00 32.21 H new ATOM 0 HB3 GLN A 59 -7.447 -3.788 -6.711 1.00 32.21 H new ATOM 0 HG2 GLN A 59 -5.507 -3.800 -8.141 1.00 65.14 H new ATOM 0 HG3 GLN A 59 -5.369 -2.452 -7.030 1.00 65.14 H new ATOM 0 HE21 GLN A 59 -3.869 -2.558 -5.259 1.00 25.04 H new ATOM 0 HE22 GLN A 59 -2.500 -3.674 -5.316 1.00 25.04 H new ATOM 942 N GLY A 60 -5.187 -1.797 -3.946 1.00 35.30 N ATOM 943 CA GLY A 60 -4.854 -0.394 -3.787 1.00 3.05 C ATOM 944 C GLY A 60 -3.376 -0.175 -3.526 1.00 75.41 C ATOM 945 O GLY A 60 -2.621 -1.132 -3.354 1.00 62.00 O ATOM 0 H GLY A 60 -4.582 -2.442 -3.437 1.00 35.30 H new ATOM 0 HA2 GLY A 60 -5.146 0.150 -4.686 1.00 3.05 H new ATOM 0 HA3 GLY A 60 -5.431 0.022 -2.961 1.00 3.05 H new ATOM 949 N PHE A 61 -2.963 1.087 -3.499 1.00 4.15 N ATOM 950 CA PHE A 61 -1.565 1.428 -3.260 1.00 51.40 C ATOM 951 C PHE A 61 -1.446 2.528 -2.209 1.00 25.02 C ATOM 952 O PHE A 61 -2.240 3.467 -2.184 1.00 55.02 O ATOM 953 CB PHE A 61 -0.898 1.877 -4.562 1.00 13.41 C ATOM 954 CG PHE A 61 0.422 2.562 -4.354 1.00 64.11 C ATOM 955 CD1 PHE A 61 1.450 1.923 -3.679 1.00 61.22 C ATOM 956 CD2 PHE A 61 0.636 3.844 -4.834 1.00 24.12 C ATOM 957 CE1 PHE A 61 2.666 2.551 -3.486 1.00 20.20 C ATOM 958 CE2 PHE A 61 1.850 4.477 -4.644 1.00 25.21 C ATOM 959 CZ PHE A 61 2.867 3.829 -3.970 1.00 31.21 C ATOM 0 H PHE A 61 -3.575 1.890 -3.639 1.00 4.15 H new ATOM 0 HA PHE A 61 -1.058 0.538 -2.888 1.00 51.40 H new ATOM 0 HB2 PHE A 61 -0.750 1.008 -5.204 1.00 13.41 H new ATOM 0 HB3 PHE A 61 -1.570 2.553 -5.091 1.00 13.41 H new ATOM 0 HD1 PHE A 61 1.299 0.923 -3.300 1.00 61.22 H new ATOM 0 HD2 PHE A 61 -0.155 4.355 -5.363 1.00 24.12 H new ATOM 0 HE1 PHE A 61 3.459 2.043 -2.957 1.00 20.20 H new ATOM 0 HE2 PHE A 61 2.003 5.477 -5.022 1.00 25.21 H new ATOM 0 HZ PHE A 61 3.817 4.321 -3.822 1.00 31.21 H new ATOM 969 N ALA A 62 -0.446 2.403 -1.341 1.00 74.14 N ATOM 970 CA ALA A 62 -0.221 3.386 -0.289 1.00 31.43 C ATOM 971 C ALA A 62 1.256 3.748 -0.183 1.00 43.01 C ATOM 972 O ALA A 62 2.110 2.875 -0.034 1.00 70.11 O ATOM 973 CB ALA A 62 -0.734 2.859 1.043 1.00 21.05 C ATOM 0 H ALA A 62 0.220 1.631 -1.346 1.00 74.14 H new ATOM 0 HA ALA A 62 -0.772 4.290 -0.547 1.00 31.43 H new ATOM 0 HB1 ALA A 62 -0.560 3.603 1.820 1.00 21.05 H new ATOM 0 HB2 ALA A 62 -1.802 2.657 0.967 1.00 21.05 H new ATOM 0 HB3 ALA A 62 -0.208 1.939 1.297 1.00 21.05 H new ATOM 979 N ASN A 63 1.551 5.042 -0.262 1.00 74.30 N ATOM 980 CA ASN A 63 2.926 5.519 -0.177 1.00 11.35 C ATOM 981 C ASN A 63 3.298 5.851 1.265 1.00 11.24 C ATOM 982 O ASN A 63 2.758 6.786 1.858 1.00 72.41 O ATOM 983 CB ASN A 63 3.115 6.754 -1.061 1.00 21.52 C ATOM 984 CG ASN A 63 4.561 7.206 -1.120 1.00 43.01 C ATOM 985 OD1 ASN A 63 5.216 7.365 -0.090 1.00 3.10 O ATOM 986 ND2 ASN A 63 5.066 7.416 -2.330 1.00 62.13 N ATOM 0 H ASN A 63 0.856 5.778 -0.385 1.00 74.30 H new ATOM 0 HA ASN A 63 3.583 4.724 -0.530 1.00 11.35 H new ATOM 0 HB2 ASN A 63 2.765 6.533 -2.069 1.00 21.52 H new ATOM 0 HB3 ASN A 63 2.498 7.568 -0.680 1.00 21.52 H new ATOM 0 HD21 ASN A 63 6.034 7.722 -2.433 1.00 62.13 H new ATOM 0 HD22 ASN A 63 4.486 7.272 -3.157 1.00 62.13 H new ATOM 993 N PHE A 64 4.224 5.080 1.824 1.00 25.32 N ATOM 994 CA PHE A 64 4.669 5.291 3.197 1.00 60.01 C ATOM 995 C PHE A 64 5.487 6.574 3.312 1.00 12.03 C ATOM 996 O PHE A 64 6.427 6.795 2.549 1.00 40.21 O ATOM 997 CB PHE A 64 5.500 4.099 3.676 1.00 73.44 C ATOM 998 CG PHE A 64 4.829 3.294 4.752 1.00 53.01 C ATOM 999 CD1 PHE A 64 4.715 3.794 6.039 1.00 33.53 C ATOM 1000 CD2 PHE A 64 4.311 2.039 4.476 1.00 25.42 C ATOM 1001 CE1 PHE A 64 4.098 3.055 7.032 1.00 64.24 C ATOM 1002 CE2 PHE A 64 3.694 1.295 5.464 1.00 13.44 C ATOM 1003 CZ PHE A 64 3.586 1.805 6.744 1.00 62.24 C ATOM 0 H PHE A 64 4.681 4.303 1.347 1.00 25.32 H new ATOM 0 HA PHE A 64 3.785 5.386 3.828 1.00 60.01 H new ATOM 0 HB2 PHE A 64 5.712 3.450 2.827 1.00 73.44 H new ATOM 0 HB3 PHE A 64 6.458 4.461 4.048 1.00 73.44 H new ATOM 0 HD1 PHE A 64 5.112 4.771 6.269 1.00 33.53 H new ATOM 0 HD2 PHE A 64 4.390 1.637 3.477 1.00 25.42 H new ATOM 0 HE1 PHE A 64 4.017 3.455 8.032 1.00 64.24 H new ATOM 0 HE2 PHE A 64 3.297 0.317 5.236 1.00 13.44 H new ATOM 0 HZ PHE A 64 3.102 1.227 7.518 1.00 62.24 H new ATOM 1013 N VAL A 65 5.121 7.417 4.272 1.00 1.54 N ATOM 1014 CA VAL A 65 5.820 8.679 4.489 1.00 20.53 C ATOM 1015 C VAL A 65 7.284 8.442 4.843 1.00 61.35 C ATOM 1016 O VAL A 65 8.135 9.305 4.625 1.00 74.13 O ATOM 1017 CB VAL A 65 5.159 9.501 5.612 1.00 61.24 C ATOM 1018 CG1 VAL A 65 6.002 10.722 5.947 1.00 61.25 C ATOM 1019 CG2 VAL A 65 3.749 9.909 5.212 1.00 1.35 C ATOM 0 H VAL A 65 4.345 7.249 4.912 1.00 1.54 H new ATOM 0 HA VAL A 65 5.760 9.239 3.556 1.00 20.53 H new ATOM 0 HB VAL A 65 5.094 8.879 6.505 1.00 61.24 H new ATOM 0 HG11 VAL A 65 5.519 11.290 6.742 1.00 61.25 H new ATOM 0 HG12 VAL A 65 6.990 10.402 6.278 1.00 61.25 H new ATOM 0 HG13 VAL A 65 6.101 11.350 5.061 1.00 61.25 H new ATOM 0 HG21 VAL A 65 3.296 10.489 6.016 1.00 1.35 H new ATOM 0 HG22 VAL A 65 3.788 10.514 4.306 1.00 1.35 H new ATOM 0 HG23 VAL A 65 3.151 9.017 5.027 1.00 1.35 H new ATOM 1029 N LYS A 66 7.572 7.265 5.389 1.00 3.51 N ATOM 1030 CA LYS A 66 8.934 6.912 5.772 1.00 41.12 C ATOM 1031 C LYS A 66 9.345 5.579 5.154 1.00 55.31 C ATOM 1032 O LYS A 66 8.609 5.001 4.353 1.00 11.53 O ATOM 1033 CB LYS A 66 9.055 6.839 7.296 1.00 72.44 C ATOM 1034 CG LYS A 66 7.938 6.050 7.957 1.00 71.22 C ATOM 1035 CD LYS A 66 6.808 6.958 8.413 1.00 61.13 C ATOM 1036 CE LYS A 66 7.009 7.420 9.848 1.00 43.54 C ATOM 1037 NZ LYS A 66 6.263 8.677 10.135 1.00 23.21 N ATOM 0 H LYS A 66 6.880 6.539 5.576 1.00 3.51 H new ATOM 0 HA LYS A 66 9.602 7.687 5.398 1.00 41.12 H new ATOM 0 HB2 LYS A 66 10.012 6.385 7.555 1.00 72.44 H new ATOM 0 HB3 LYS A 66 9.062 7.851 7.701 1.00 72.44 H new ATOM 0 HG2 LYS A 66 7.551 5.309 7.257 1.00 71.22 H new ATOM 0 HG3 LYS A 66 8.334 5.503 8.813 1.00 71.22 H new ATOM 0 HD2 LYS A 66 6.749 7.825 7.755 1.00 61.13 H new ATOM 0 HD3 LYS A 66 5.859 6.429 8.329 1.00 61.13 H new ATOM 0 HE2 LYS A 66 6.679 6.638 10.531 1.00 43.54 H new ATOM 0 HE3 LYS A 66 8.071 7.578 10.033 1.00 43.54 H new ATOM 0 HZ1 LYS A 66 6.425 8.959 11.123 1.00 23.21 H new ATOM 0 HZ2 LYS A 66 6.596 9.431 9.500 1.00 23.21 H new ATOM 0 HZ3 LYS A 66 5.246 8.520 9.983 1.00 23.21 H new ATOM 1051 N LYS A 67 10.523 5.095 5.531 1.00 12.15 N ATOM 1052 CA LYS A 67 11.031 3.829 5.017 1.00 34.22 C ATOM 1053 C LYS A 67 10.553 2.662 5.876 1.00 51.12 C ATOM 1054 O LYS A 67 10.811 2.619 7.078 1.00 21.12 O ATOM 1055 CB LYS A 67 12.560 3.850 4.972 1.00 62.21 C ATOM 1056 CG LYS A 67 13.130 5.019 4.188 1.00 55.25 C ATOM 1057 CD LYS A 67 14.131 4.555 3.143 1.00 1.42 C ATOM 1058 CE LYS A 67 15.327 3.867 3.784 1.00 14.43 C ATOM 1059 NZ LYS A 67 16.605 4.245 3.121 1.00 3.00 N ATOM 0 H LYS A 67 11.145 5.561 6.192 1.00 12.15 H new ATOM 0 HA LYS A 67 10.646 3.695 4.006 1.00 34.22 H new ATOM 0 HB2 LYS A 67 12.945 3.885 5.991 1.00 62.21 H new ATOM 0 HB3 LYS A 67 12.915 2.919 4.529 1.00 62.21 H new ATOM 0 HG2 LYS A 67 12.320 5.561 3.701 1.00 55.25 H new ATOM 0 HG3 LYS A 67 13.614 5.716 4.872 1.00 55.25 H new ATOM 0 HD2 LYS A 67 13.644 3.869 2.450 1.00 1.42 H new ATOM 0 HD3 LYS A 67 14.472 5.410 2.559 1.00 1.42 H new ATOM 0 HE2 LYS A 67 15.374 4.130 4.841 1.00 14.43 H new ATOM 0 HE3 LYS A 67 15.196 2.786 3.731 1.00 14.43 H new ATOM 0 HZ1 LYS A 67 17.396 3.756 3.587 1.00 3.00 H new ATOM 0 HZ2 LYS A 67 16.570 3.971 2.118 1.00 3.00 H new ATOM 0 HZ3 LYS A 67 16.743 5.273 3.194 1.00 3.00 H new ATOM 1073 N GLN A 68 9.857 1.719 5.250 1.00 60.53 N ATOM 1074 CA GLN A 68 9.345 0.551 5.958 1.00 54.34 C ATOM 1075 C GLN A 68 9.665 -0.731 5.197 1.00 44.02 C ATOM 1076 O GLN A 68 9.794 -0.724 3.972 1.00 53.11 O ATOM 1077 CB GLN A 68 7.833 0.674 6.160 1.00 63.03 C ATOM 1078 CG GLN A 68 7.420 1.930 6.910 1.00 72.30 C ATOM 1079 CD GLN A 68 8.253 2.168 8.154 1.00 65.34 C ATOM 1080 OE1 GLN A 68 8.690 3.288 8.417 1.00 2.41 O ATOM 1081 NE2 GLN A 68 8.479 1.112 8.927 1.00 71.35 N ATOM 0 H GLN A 68 9.635 1.740 4.255 1.00 60.53 H new ATOM 0 HA GLN A 68 9.833 0.505 6.932 1.00 54.34 H new ATOM 0 HB2 GLN A 68 7.343 0.664 5.187 1.00 63.03 H new ATOM 0 HB3 GLN A 68 7.475 -0.199 6.706 1.00 63.03 H new ATOM 0 HG2 GLN A 68 7.510 2.790 6.247 1.00 72.30 H new ATOM 0 HG3 GLN A 68 6.370 1.852 7.190 1.00 72.30 H new ATOM 0 HE21 GLN A 68 8.097 0.201 8.671 1.00 71.35 H new ATOM 0 HE22 GLN A 68 9.034 1.212 9.777 1.00 71.35 H new ATOM 1090 N THR A 69 9.795 -1.832 5.930 1.00 34.15 N ATOM 1091 CA THR A 69 10.102 -3.122 5.325 1.00 10.15 C ATOM 1092 C THR A 69 8.829 -3.905 5.024 1.00 44.03 C ATOM 1093 O THR A 69 7.739 -3.524 5.449 1.00 55.01 O ATOM 1094 CB THR A 69 11.008 -3.969 6.239 1.00 61.13 C ATOM 1095 OG1 THR A 69 10.251 -4.483 7.340 1.00 54.01 O ATOM 1096 CG2 THR A 69 12.174 -3.143 6.760 1.00 24.43 C ATOM 0 H THR A 69 9.692 -1.856 6.945 1.00 34.15 H new ATOM 0 HA THR A 69 10.628 -2.917 4.393 1.00 10.15 H new ATOM 0 HB THR A 69 11.404 -4.798 5.653 1.00 61.13 H new ATOM 0 HG1 THR A 69 10.342 -5.458 7.372 1.00 54.01 H new ATOM 0 HG21 THR A 69 12.800 -3.762 7.403 1.00 24.43 H new ATOM 0 HG22 THR A 69 12.765 -2.778 5.920 1.00 24.43 H new ATOM 0 HG23 THR A 69 11.793 -2.296 7.331 1.00 24.43 H new ATOM 1104 N PHE A 70 8.976 -5.002 4.288 1.00 55.21 N ATOM 1105 CA PHE A 70 7.837 -5.839 3.929 1.00 72.00 C ATOM 1106 C PHE A 70 7.161 -6.402 5.176 1.00 41.01 C ATOM 1107 O PHE A 70 5.963 -6.217 5.382 1.00 34.03 O ATOM 1108 CB PHE A 70 8.285 -6.983 3.017 1.00 22.35 C ATOM 1109 CG PHE A 70 7.341 -8.151 3.013 1.00 31.31 C ATOM 1110 CD1 PHE A 70 6.177 -8.115 2.262 1.00 31.44 C ATOM 1111 CD2 PHE A 70 7.617 -9.285 3.760 1.00 21.21 C ATOM 1112 CE1 PHE A 70 5.306 -9.189 2.256 1.00 50.32 C ATOM 1113 CE2 PHE A 70 6.750 -10.362 3.757 1.00 2.40 C ATOM 1114 CZ PHE A 70 5.593 -10.313 3.005 1.00 13.20 C ATOM 0 H PHE A 70 9.872 -5.332 3.929 1.00 55.21 H new ATOM 0 HA PHE A 70 7.116 -5.219 3.395 1.00 72.00 H new ATOM 0 HB2 PHE A 70 8.389 -6.606 1.999 1.00 22.35 H new ATOM 0 HB3 PHE A 70 9.271 -7.324 3.333 1.00 22.35 H new ATOM 0 HD1 PHE A 70 5.947 -7.238 1.675 1.00 31.44 H new ATOM 0 HD2 PHE A 70 8.520 -9.328 4.351 1.00 21.21 H new ATOM 0 HE1 PHE A 70 4.402 -9.149 1.666 1.00 50.32 H new ATOM 0 HE2 PHE A 70 6.977 -11.241 4.342 1.00 2.40 H new ATOM 0 HZ PHE A 70 4.914 -11.152 3.003 1.00 13.20 H new ATOM 1124 N ASN A 71 7.940 -7.091 6.004 1.00 41.41 N ATOM 1125 CA ASN A 71 7.418 -7.682 7.230 1.00 33.23 C ATOM 1126 C ASN A 71 6.882 -6.605 8.169 1.00 40.04 C ATOM 1127 O ASN A 71 5.852 -6.787 8.818 1.00 73.24 O ATOM 1128 CB ASN A 71 8.508 -8.492 7.935 1.00 33.20 C ATOM 1129 CG ASN A 71 8.039 -9.063 9.259 1.00 33.23 C ATOM 1130 OD1 ASN A 71 6.990 -9.703 9.335 1.00 32.43 O ATOM 1131 ND2 ASN A 71 8.816 -8.833 10.311 1.00 31.12 N ATOM 0 H ASN A 71 8.935 -7.253 5.848 1.00 41.41 H new ATOM 0 HA ASN A 71 6.597 -8.346 6.962 1.00 33.23 H new ATOM 0 HB2 ASN A 71 8.830 -9.306 7.285 1.00 33.20 H new ATOM 0 HB3 ASN A 71 9.377 -7.856 8.104 1.00 33.20 H new ATOM 0 HD21 ASN A 71 8.552 -9.192 11.228 1.00 31.12 H new ATOM 0 HD22 ASN A 71 9.677 -8.297 10.202 1.00 31.12 H new ATOM 1138 N LYS A 72 7.588 -5.481 8.235 1.00 63.51 N ATOM 1139 CA LYS A 72 7.185 -4.373 9.092 1.00 55.24 C ATOM 1140 C LYS A 72 5.857 -3.782 8.627 1.00 44.41 C ATOM 1141 O LYS A 72 4.936 -3.596 9.423 1.00 64.45 O ATOM 1142 CB LYS A 72 8.264 -3.288 9.099 1.00 53.20 C ATOM 1143 CG LYS A 72 7.837 -2.010 9.800 1.00 55.22 C ATOM 1144 CD LYS A 72 7.391 -2.279 11.227 1.00 10.14 C ATOM 1145 CE LYS A 72 6.898 -1.010 11.906 1.00 2.01 C ATOM 1146 NZ LYS A 72 8.025 -0.126 12.314 1.00 11.11 N ATOM 0 H LYS A 72 8.443 -5.314 7.704 1.00 63.51 H new ATOM 0 HA LYS A 72 7.058 -4.756 10.104 1.00 55.24 H new ATOM 0 HB2 LYS A 72 9.157 -3.679 9.586 1.00 53.20 H new ATOM 0 HB3 LYS A 72 8.539 -3.054 8.070 1.00 53.20 H new ATOM 0 HG2 LYS A 72 8.666 -1.302 9.804 1.00 55.22 H new ATOM 0 HG3 LYS A 72 7.023 -1.544 9.245 1.00 55.22 H new ATOM 0 HD2 LYS A 72 6.596 -3.025 11.226 1.00 10.14 H new ATOM 0 HD3 LYS A 72 8.221 -2.698 11.796 1.00 10.14 H new ATOM 0 HE2 LYS A 72 6.238 -0.468 11.228 1.00 2.01 H new ATOM 0 HE3 LYS A 72 6.307 -1.273 12.783 1.00 2.01 H new ATOM 0 HZ1 LYS A 72 7.648 0.728 12.773 1.00 11.11 H new ATOM 0 HZ2 LYS A 72 8.641 -0.634 12.981 1.00 11.11 H new ATOM 0 HZ3 LYS A 72 8.574 0.146 11.474 1.00 11.11 H new ATOM 1160 N VAL A 73 5.766 -3.488 7.334 1.00 72.34 N ATOM 1161 CA VAL A 73 4.550 -2.921 6.763 1.00 43.53 C ATOM 1162 C VAL A 73 3.336 -3.783 7.087 1.00 32.12 C ATOM 1163 O VAL A 73 2.207 -3.294 7.134 1.00 1.42 O ATOM 1164 CB VAL A 73 4.665 -2.770 5.234 1.00 5.42 C ATOM 1165 CG1 VAL A 73 3.305 -2.469 4.623 1.00 23.51 C ATOM 1166 CG2 VAL A 73 5.669 -1.683 4.881 1.00 45.22 C ATOM 0 H VAL A 73 6.520 -3.633 6.662 1.00 72.34 H new ATOM 0 HA VAL A 73 4.421 -1.935 7.210 1.00 43.53 H new ATOM 0 HB VAL A 73 5.022 -3.712 4.819 1.00 5.42 H new ATOM 0 HG11 VAL A 73 3.406 -2.366 3.543 1.00 23.51 H new ATOM 0 HG12 VAL A 73 2.617 -3.284 4.847 1.00 23.51 H new ATOM 0 HG13 VAL A 73 2.916 -1.541 5.041 1.00 23.51 H new ATOM 0 HG21 VAL A 73 5.738 -1.589 3.797 1.00 45.22 H new ATOM 0 HG22 VAL A 73 5.343 -0.734 5.307 1.00 45.22 H new ATOM 0 HG23 VAL A 73 6.647 -1.945 5.285 1.00 45.22 H new ATOM 1176 N LYS A 74 3.575 -5.071 7.311 1.00 14.21 N ATOM 1177 CA LYS A 74 2.501 -6.004 7.633 1.00 3.34 C ATOM 1178 C LYS A 74 1.847 -5.642 8.963 1.00 21.00 C ATOM 1179 O LYS A 74 0.785 -6.162 9.304 1.00 14.21 O ATOM 1180 CB LYS A 74 3.041 -7.434 7.691 1.00 25.42 C ATOM 1181 CG LYS A 74 3.712 -7.884 6.404 1.00 13.14 C ATOM 1182 CD LYS A 74 3.386 -9.333 6.083 1.00 51.23 C ATOM 1183 CE LYS A 74 2.533 -9.447 4.829 1.00 74.02 C ATOM 1184 NZ LYS A 74 2.345 -10.865 4.413 1.00 14.50 N ATOM 0 H LYS A 74 4.503 -5.493 7.275 1.00 14.21 H new ATOM 0 HA LYS A 74 1.748 -5.938 6.848 1.00 3.34 H new ATOM 0 HB2 LYS A 74 3.757 -7.510 8.510 1.00 25.42 H new ATOM 0 HB3 LYS A 74 2.221 -8.114 7.920 1.00 25.42 H new ATOM 0 HG2 LYS A 74 3.388 -7.246 5.581 1.00 13.14 H new ATOM 0 HG3 LYS A 74 4.792 -7.764 6.494 1.00 13.14 H new ATOM 0 HD2 LYS A 74 4.311 -9.894 5.948 1.00 51.23 H new ATOM 0 HD3 LYS A 74 2.860 -9.784 6.925 1.00 51.23 H new ATOM 0 HE2 LYS A 74 1.560 -8.989 5.009 1.00 74.02 H new ATOM 0 HE3 LYS A 74 3.003 -8.890 4.018 1.00 74.02 H new ATOM 0 HZ1 LYS A 74 1.382 -10.993 4.042 1.00 14.50 H new ATOM 0 HZ2 LYS A 74 3.036 -11.104 3.674 1.00 14.50 H new ATOM 0 HZ3 LYS A 74 2.485 -11.489 5.233 1.00 14.50 H new ATOM 1198 N TRP A 75 2.487 -4.748 9.708 1.00 21.20 N ATOM 1199 CA TRP A 75 1.966 -4.316 11.000 1.00 73.31 C ATOM 1200 C TRP A 75 0.711 -3.468 10.824 1.00 31.25 C ATOM 1201 O TRP A 75 -0.080 -3.314 11.755 1.00 13.41 O ATOM 1202 CB TRP A 75 3.029 -3.525 11.763 1.00 12.52 C ATOM 1203 CG TRP A 75 3.151 -2.102 11.307 1.00 23.02 C ATOM 1204 CD1 TRP A 75 3.117 -1.648 10.020 1.00 72.24 C ATOM 1205 CD2 TRP A 75 3.330 -0.949 12.137 1.00 51.34 C ATOM 1206 NE1 TRP A 75 3.263 -0.282 9.999 1.00 63.14 N ATOM 1207 CE2 TRP A 75 3.395 0.171 11.284 1.00 11.15 C ATOM 1208 CE3 TRP A 75 3.439 -0.753 13.516 1.00 42.42 C ATOM 1209 CZ2 TRP A 75 3.565 1.465 11.768 1.00 4.44 C ATOM 1210 CZ3 TRP A 75 3.609 0.533 13.995 1.00 73.55 C ATOM 1211 CH2 TRP A 75 3.670 1.628 13.123 1.00 13.21 C ATOM 0 H TRP A 75 3.367 -4.308 9.440 1.00 21.20 H new ATOM 0 HA TRP A 75 1.704 -5.205 11.574 1.00 73.31 H new ATOM 0 HB2 TRP A 75 2.789 -3.539 12.826 1.00 12.52 H new ATOM 0 HB3 TRP A 75 3.993 -4.020 11.647 1.00 12.52 H new ATOM 0 HD1 TRP A 75 2.993 -2.271 9.147 1.00 72.24 H new ATOM 0 HE1 TRP A 75 3.272 0.300 9.162 1.00 63.14 H new ATOM 0 HE3 TRP A 75 3.391 -1.591 14.196 1.00 42.42 H new ATOM 0 HZ2 TRP A 75 3.612 2.311 11.098 1.00 4.44 H new ATOM 0 HZ3 TRP A 75 3.696 0.696 15.059 1.00 73.55 H new ATOM 0 HH2 TRP A 75 3.802 2.620 13.528 1.00 13.21 H new ATOM 1222 N TYR A 76 0.535 -2.921 9.627 1.00 75.20 N ATOM 1223 CA TYR A 76 -0.624 -2.087 9.331 1.00 1.40 C ATOM 1224 C TYR A 76 -1.534 -2.761 8.309 1.00 51.30 C ATOM 1225 O TYR A 76 -2.742 -2.879 8.518 1.00 32.02 O ATOM 1226 CB TYR A 76 -0.175 -0.721 8.808 1.00 22.12 C ATOM 1227 CG TYR A 76 -0.276 0.384 9.835 1.00 34.24 C ATOM 1228 CD1 TYR A 76 -1.372 0.471 10.685 1.00 53.33 C ATOM 1229 CD2 TYR A 76 0.725 1.340 9.957 1.00 34.10 C ATOM 1230 CE1 TYR A 76 -1.469 1.480 11.624 1.00 74.40 C ATOM 1231 CE2 TYR A 76 0.637 2.351 10.894 1.00 34.15 C ATOM 1232 CZ TYR A 76 -0.462 2.417 11.725 1.00 35.22 C ATOM 1233 OH TYR A 76 -0.555 3.422 12.660 1.00 22.15 O ATOM 0 H TYR A 76 1.180 -3.040 8.846 1.00 75.20 H new ATOM 0 HA TYR A 76 -1.186 -1.949 10.255 1.00 1.40 H new ATOM 0 HB2 TYR A 76 0.857 -0.794 8.466 1.00 22.12 H new ATOM 0 HB3 TYR A 76 -0.781 -0.456 7.941 1.00 22.12 H new ATOM 0 HD1 TYR A 76 -2.161 -0.262 10.610 1.00 53.33 H new ATOM 0 HD2 TYR A 76 1.587 1.292 9.308 1.00 34.10 H new ATOM 0 HE1 TYR A 76 -2.329 1.535 12.275 1.00 74.40 H new ATOM 0 HE2 TYR A 76 1.424 3.086 10.976 1.00 34.15 H new ATOM 0 HH TYR A 76 0.344 3.685 12.948 1.00 22.15 H new ATOM 1243 N LEU A 77 -0.946 -3.202 7.203 1.00 44.23 N ATOM 1244 CA LEU A 77 -1.702 -3.866 6.146 1.00 3.44 C ATOM 1245 C LEU A 77 -2.169 -5.246 6.596 1.00 31.14 C ATOM 1246 O LEU A 77 -3.292 -5.658 6.307 1.00 42.52 O ATOM 1247 CB LEU A 77 -0.849 -3.990 4.883 1.00 63.32 C ATOM 1248 CG LEU A 77 -0.533 -2.683 4.154 1.00 34.52 C ATOM 1249 CD1 LEU A 77 0.410 -2.936 2.988 1.00 32.53 C ATOM 1250 CD2 LEU A 77 -1.815 -2.019 3.672 1.00 63.44 C ATOM 0 H LEU A 77 0.052 -3.112 7.014 1.00 44.23 H new ATOM 0 HA LEU A 77 -2.581 -3.260 5.925 1.00 3.44 H new ATOM 0 HB2 LEU A 77 0.092 -4.470 5.150 1.00 63.32 H new ATOM 0 HB3 LEU A 77 -1.360 -4.656 4.188 1.00 63.32 H new ATOM 0 HG LEU A 77 -0.039 -2.009 4.854 1.00 34.52 H new ATOM 0 HD11 LEU A 77 0.623 -1.995 2.482 1.00 32.53 H new ATOM 0 HD12 LEU A 77 1.340 -3.367 3.359 1.00 32.53 H new ATOM 0 HD13 LEU A 77 -0.056 -3.628 2.286 1.00 32.53 H new ATOM 0 HD21 LEU A 77 -1.572 -1.090 3.156 1.00 63.44 H new ATOM 0 HD22 LEU A 77 -2.337 -2.689 2.988 1.00 63.44 H new ATOM 0 HD23 LEU A 77 -2.456 -1.802 4.527 1.00 63.44 H new ATOM 1262 N GLY A 78 -1.300 -5.957 7.309 1.00 41.32 N ATOM 1263 CA GLY A 78 -1.643 -7.282 7.789 1.00 23.44 C ATOM 1264 C GLY A 78 -1.132 -8.380 6.877 1.00 1.12 C ATOM 1265 O GLY A 78 -0.973 -8.173 5.675 1.00 42.44 O ATOM 0 H GLY A 78 -0.365 -5.638 7.562 1.00 41.32 H new ATOM 0 HA2 GLY A 78 -1.229 -7.422 8.788 1.00 23.44 H new ATOM 0 HA3 GLY A 78 -2.726 -7.363 7.879 1.00 23.44 H new ATOM 1269 N ALA A 79 -0.873 -9.551 7.450 1.00 3.42 N ATOM 1270 CA ALA A 79 -0.377 -10.685 6.680 1.00 11.24 C ATOM 1271 C ALA A 79 -1.493 -11.319 5.857 1.00 31.33 C ATOM 1272 O ALA A 79 -1.241 -11.926 4.816 1.00 52.41 O ATOM 1273 CB ALA A 79 0.251 -11.717 7.606 1.00 51.45 C ATOM 0 H ALA A 79 -0.998 -9.739 8.445 1.00 3.42 H new ATOM 0 HA ALA A 79 0.385 -10.320 5.991 1.00 11.24 H new ATOM 0 HB1 ALA A 79 0.617 -12.558 7.018 1.00 51.45 H new ATOM 0 HB2 ALA A 79 1.082 -11.263 8.146 1.00 51.45 H new ATOM 0 HB3 ALA A 79 -0.496 -12.069 8.318 1.00 51.45 H new ATOM 1279 N ARG A 80 -2.726 -11.176 6.331 1.00 34.13 N ATOM 1280 CA ARG A 80 -3.881 -11.737 5.640 1.00 64.23 C ATOM 1281 C ARG A 80 -3.903 -11.301 4.178 1.00 71.35 C ATOM 1282 O ARG A 80 -4.262 -12.080 3.293 1.00 44.41 O ATOM 1283 CB ARG A 80 -5.175 -11.307 6.331 1.00 14.53 C ATOM 1284 CG ARG A 80 -5.273 -11.761 7.778 1.00 11.15 C ATOM 1285 CD ARG A 80 -5.905 -13.139 7.888 1.00 35.41 C ATOM 1286 NE ARG A 80 -7.363 -13.079 7.825 1.00 33.41 N ATOM 1287 CZ ARG A 80 -8.123 -12.618 8.812 1.00 52.41 C ATOM 1288 NH1 ARG A 80 -7.566 -12.177 9.932 1.00 71.53 N ATOM 1289 NH2 ARG A 80 -9.443 -12.595 8.680 1.00 53.04 N ATOM 0 H ARG A 80 -2.951 -10.676 7.191 1.00 34.13 H new ATOM 0 HA ARG A 80 -3.802 -12.824 5.677 1.00 64.23 H new ATOM 0 HB2 ARG A 80 -5.253 -10.220 6.294 1.00 14.53 H new ATOM 0 HB3 ARG A 80 -6.024 -11.706 5.776 1.00 14.53 H new ATOM 0 HG2 ARG A 80 -4.278 -11.779 8.223 1.00 11.15 H new ATOM 0 HG3 ARG A 80 -5.863 -11.042 8.347 1.00 11.15 H new ATOM 0 HD2 ARG A 80 -5.533 -13.774 7.084 1.00 35.41 H new ATOM 0 HD3 ARG A 80 -5.601 -13.603 8.826 1.00 35.41 H new ATOM 0 HE ARG A 80 -7.823 -13.409 6.977 1.00 33.41 H new ATOM 0 HH11 ARG A 80 -6.552 -12.191 10.037 1.00 71.53 H new ATOM 0 HH12 ARG A 80 -8.152 -11.824 10.688 1.00 71.53 H new ATOM 0 HH21 ARG A 80 -9.875 -12.932 7.820 1.00 53.04 H new ATOM 0 HH22 ARG A 80 -10.025 -12.241 9.439 1.00 53.04 H new ATOM 1303 N CYS A 81 -3.519 -10.054 3.932 1.00 41.33 N ATOM 1304 CA CYS A 81 -3.496 -9.514 2.577 1.00 52.50 C ATOM 1305 C CYS A 81 -2.079 -9.517 2.014 1.00 63.31 C ATOM 1306 O CYS A 81 -1.125 -9.155 2.703 1.00 24.31 O ATOM 1307 CB CYS A 81 -4.060 -8.092 2.563 1.00 2.10 C ATOM 1308 SG CYS A 81 -3.067 -6.895 3.485 1.00 4.01 S ATOM 0 H CYS A 81 -3.219 -9.397 4.653 1.00 41.33 H new ATOM 0 HA CYS A 81 -4.118 -10.151 1.948 1.00 52.50 H new ATOM 0 HB2 CYS A 81 -4.146 -7.757 1.529 1.00 2.10 H new ATOM 0 HB3 CYS A 81 -5.068 -8.108 2.978 1.00 2.10 H new ATOM 0 HG CYS A 81 -3.596 -6.703 4.657 1.00 4.01 H new ATOM 1314 N HIS A 82 -1.948 -9.930 0.757 1.00 22.52 N ATOM 1315 CA HIS A 82 -0.646 -9.983 0.101 1.00 10.43 C ATOM 1316 C HIS A 82 -0.161 -8.581 -0.256 1.00 53.12 C ATOM 1317 O HIS A 82 -0.870 -7.817 -0.912 1.00 73.35 O ATOM 1318 CB HIS A 82 -0.720 -10.846 -1.158 1.00 54.04 C ATOM 1319 CG HIS A 82 0.615 -11.337 -1.628 1.00 15.04 C ATOM 1320 ND1 HIS A 82 1.352 -12.281 -0.944 1.00 51.24 N ATOM 1321 CD2 HIS A 82 1.344 -11.011 -2.720 1.00 52.33 C ATOM 1322 CE1 HIS A 82 2.478 -12.513 -1.596 1.00 12.45 C ATOM 1323 NE2 HIS A 82 2.497 -11.755 -2.677 1.00 41.31 N ATOM 0 H HIS A 82 -2.727 -10.233 0.173 1.00 22.52 H new ATOM 0 HA HIS A 82 0.066 -10.429 0.796 1.00 10.43 H new ATOM 0 HB2 HIS A 82 -1.365 -11.703 -0.964 1.00 54.04 H new ATOM 0 HB3 HIS A 82 -1.188 -10.270 -1.956 1.00 54.04 H new ATOM 0 HD2 HIS A 82 1.070 -10.298 -3.484 1.00 52.33 H new ATOM 0 HE1 HIS A 82 3.251 -13.205 -1.296 1.00 12.45 H new ATOM 0 HE2 HIS A 82 3.247 -11.727 -3.368 1.00 41.31 H new ATOM 1331 N ILE A 83 1.049 -8.250 0.180 1.00 43.51 N ATOM 1332 CA ILE A 83 1.628 -6.940 -0.095 1.00 32.23 C ATOM 1333 C ILE A 83 2.881 -7.062 -0.955 1.00 72.31 C ATOM 1334 O ILE A 83 3.652 -8.011 -0.814 1.00 11.30 O ATOM 1335 CB ILE A 83 1.983 -6.197 1.207 1.00 72.32 C ATOM 1336 CG1 ILE A 83 3.016 -6.992 2.008 1.00 71.31 C ATOM 1337 CG2 ILE A 83 0.731 -5.957 2.038 1.00 43.34 C ATOM 1338 CD1 ILE A 83 3.551 -6.248 3.211 1.00 42.42 C ATOM 0 H ILE A 83 1.648 -8.870 0.725 1.00 43.51 H new ATOM 0 HA ILE A 83 0.873 -6.369 -0.636 1.00 32.23 H new ATOM 0 HB ILE A 83 2.416 -5.230 0.950 1.00 72.32 H new ATOM 0 HG12 ILE A 83 2.565 -7.927 2.340 1.00 71.31 H new ATOM 0 HG13 ILE A 83 3.848 -7.254 1.354 1.00 71.31 H new ATOM 0 HG21 ILE A 83 0.998 -5.431 2.955 1.00 43.34 H new ATOM 0 HG22 ILE A 83 0.025 -5.354 1.467 1.00 43.34 H new ATOM 0 HG23 ILE A 83 0.272 -6.913 2.289 1.00 43.34 H new ATOM 0 HD11 ILE A 83 4.278 -6.872 3.731 1.00 42.42 H new ATOM 0 HD12 ILE A 83 4.032 -5.326 2.884 1.00 42.42 H new ATOM 0 HD13 ILE A 83 2.729 -6.009 3.886 1.00 42.42 H new ATOM 1350 N GLU A 84 3.077 -6.095 -1.845 1.00 45.24 N ATOM 1351 CA GLU A 84 4.238 -6.094 -2.728 1.00 22.20 C ATOM 1352 C GLU A 84 4.678 -4.668 -3.048 1.00 74.30 C ATOM 1353 O GLU A 84 3.930 -3.713 -2.836 1.00 30.32 O ATOM 1354 CB GLU A 84 3.922 -6.845 -4.023 1.00 62.02 C ATOM 1355 CG GLU A 84 4.513 -8.244 -4.075 1.00 51.04 C ATOM 1356 CD GLU A 84 4.017 -9.043 -5.265 1.00 14.21 C ATOM 1357 OE1 GLU A 84 2.832 -8.892 -5.629 1.00 33.02 O ATOM 1358 OE2 GLU A 84 4.814 -9.819 -5.832 1.00 1.11 O ATOM 0 H GLU A 84 2.448 -5.303 -1.974 1.00 45.24 H new ATOM 0 HA GLU A 84 5.054 -6.600 -2.213 1.00 22.20 H new ATOM 0 HB2 GLU A 84 2.840 -6.912 -4.139 1.00 62.02 H new ATOM 0 HB3 GLU A 84 4.299 -6.269 -4.868 1.00 62.02 H new ATOM 0 HG2 GLU A 84 5.600 -8.174 -4.117 1.00 51.04 H new ATOM 0 HG3 GLU A 84 4.263 -8.774 -3.156 1.00 51.04 H new ATOM 1365 N LYS A 85 5.896 -4.532 -3.560 1.00 2.23 N ATOM 1366 CA LYS A 85 6.437 -3.224 -3.910 1.00 62.15 C ATOM 1367 C LYS A 85 5.825 -2.713 -5.211 1.00 11.25 C ATOM 1368 O LYS A 85 5.744 -3.442 -6.198 1.00 71.24 O ATOM 1369 CB LYS A 85 7.960 -3.299 -4.046 1.00 53.13 C ATOM 1370 CG LYS A 85 8.605 -1.969 -4.396 1.00 62.44 C ATOM 1371 CD LYS A 85 10.114 -2.098 -4.523 1.00 71.23 C ATOM 1372 CE LYS A 85 10.644 -1.300 -5.704 1.00 42.42 C ATOM 1373 NZ LYS A 85 11.718 -0.352 -5.296 1.00 23.52 N ATOM 0 H LYS A 85 6.528 -5.312 -3.742 1.00 2.23 H new ATOM 0 HA LYS A 85 6.183 -2.528 -3.111 1.00 62.15 H new ATOM 0 HB2 LYS A 85 8.383 -3.663 -3.110 1.00 53.13 H new ATOM 0 HB3 LYS A 85 8.212 -4.029 -4.815 1.00 53.13 H new ATOM 0 HG2 LYS A 85 8.190 -1.598 -5.333 1.00 62.44 H new ATOM 0 HG3 LYS A 85 8.365 -1.234 -3.628 1.00 62.44 H new ATOM 0 HD2 LYS A 85 10.588 -1.750 -3.605 1.00 71.23 H new ATOM 0 HD3 LYS A 85 10.382 -3.148 -4.642 1.00 71.23 H new ATOM 0 HE2 LYS A 85 11.031 -1.984 -6.460 1.00 42.42 H new ATOM 0 HE3 LYS A 85 9.826 -0.746 -6.164 1.00 42.42 H new ATOM 0 HZ1 LYS A 85 12.458 -0.331 -6.026 1.00 23.52 H new ATOM 0 HZ2 LYS A 85 11.316 0.600 -5.183 1.00 23.52 H new ATOM 0 HZ3 LYS A 85 12.131 -0.663 -4.394 1.00 23.52 H new ATOM 1387 N ALA A 86 5.396 -1.455 -5.203 1.00 5.30 N ATOM 1388 CA ALA A 86 4.795 -0.845 -6.383 1.00 20.44 C ATOM 1389 C ALA A 86 5.862 -0.273 -7.309 1.00 62.14 C ATOM 1390 O ALA A 86 6.982 0.012 -6.883 1.00 73.34 O ATOM 1391 CB ALA A 86 3.812 0.241 -5.972 1.00 72.14 C ATOM 0 H ALA A 86 5.454 -0.838 -4.392 1.00 5.30 H new ATOM 0 HA ALA A 86 4.256 -1.620 -6.928 1.00 20.44 H new ATOM 0 HB1 ALA A 86 3.371 0.688 -6.863 1.00 72.14 H new ATOM 0 HB2 ALA A 86 3.025 -0.195 -5.357 1.00 72.14 H new ATOM 0 HB3 ALA A 86 4.335 1.009 -5.402 1.00 72.14 H new ATOM 1397 N LYS A 87 5.509 -0.107 -8.580 1.00 20.44 N ATOM 1398 CA LYS A 87 6.436 0.432 -9.568 1.00 32.42 C ATOM 1399 C LYS A 87 5.724 1.393 -10.514 1.00 74.11 C ATOM 1400 O LYS A 87 4.563 1.187 -10.866 1.00 60.22 O ATOM 1401 CB LYS A 87 7.079 -0.704 -10.367 1.00 20.23 C ATOM 1402 CG LYS A 87 6.126 -1.381 -11.337 1.00 23.02 C ATOM 1403 CD LYS A 87 6.842 -2.411 -12.194 1.00 62.04 C ATOM 1404 CE LYS A 87 5.905 -3.530 -12.620 1.00 75.34 C ATOM 1405 NZ LYS A 87 6.540 -4.438 -13.615 1.00 63.11 N ATOM 0 H LYS A 87 4.587 -0.338 -8.950 1.00 20.44 H new ATOM 0 HA LYS A 87 7.214 0.981 -9.038 1.00 32.42 H new ATOM 0 HB2 LYS A 87 7.930 -0.310 -10.922 1.00 20.23 H new ATOM 0 HB3 LYS A 87 7.469 -1.449 -9.674 1.00 20.23 H new ATOM 0 HG2 LYS A 87 5.322 -1.864 -10.781 1.00 23.02 H new ATOM 0 HG3 LYS A 87 5.664 -0.630 -11.978 1.00 23.02 H new ATOM 0 HD2 LYS A 87 7.256 -1.926 -13.078 1.00 62.04 H new ATOM 0 HD3 LYS A 87 7.681 -2.829 -11.637 1.00 62.04 H new ATOM 0 HE2 LYS A 87 5.604 -4.105 -11.744 1.00 75.34 H new ATOM 0 HE3 LYS A 87 4.998 -3.101 -13.047 1.00 75.34 H new ATOM 0 HZ1 LYS A 87 5.869 -5.187 -13.880 1.00 63.11 H new ATOM 0 HZ2 LYS A 87 6.804 -3.895 -14.462 1.00 63.11 H new ATOM 0 HZ3 LYS A 87 7.391 -4.867 -13.200 1.00 63.11 H new ATOM 1419 N GLY A 88 6.428 2.444 -10.924 1.00 30.24 N ATOM 1420 CA GLY A 88 5.847 3.420 -11.826 1.00 52.14 C ATOM 1421 C GLY A 88 5.717 4.791 -11.193 1.00 31.25 C ATOM 1422 O GLY A 88 6.096 4.988 -10.038 1.00 1.34 O ATOM 0 H GLY A 88 7.391 2.636 -10.647 1.00 30.24 H new ATOM 0 HA2 GLY A 88 6.464 3.494 -12.722 1.00 52.14 H new ATOM 0 HA3 GLY A 88 4.863 3.075 -12.144 1.00 52.14 H new ATOM 1426 N THR A 89 5.180 5.743 -11.950 1.00 25.04 N ATOM 1427 CA THR A 89 5.004 7.103 -11.456 1.00 42.04 C ATOM 1428 C THR A 89 3.698 7.243 -10.684 1.00 35.32 C ATOM 1429 O THR A 89 2.894 6.311 -10.631 1.00 0.41 O ATOM 1430 CB THR A 89 5.018 8.125 -12.609 1.00 75.31 C ATOM 1431 OG1 THR A 89 3.797 8.040 -13.353 1.00 11.11 O ATOM 1432 CG2 THR A 89 6.200 7.880 -13.535 1.00 55.50 C ATOM 0 H THR A 89 4.860 5.597 -12.907 1.00 25.04 H new ATOM 0 HA THR A 89 5.841 7.308 -10.788 1.00 42.04 H new ATOM 0 HB THR A 89 5.114 9.123 -12.180 1.00 75.31 H new ATOM 0 HG1 THR A 89 3.813 8.694 -14.083 1.00 11.11 H new ATOM 0 HG21 THR A 89 6.189 8.614 -14.341 1.00 55.50 H new ATOM 0 HG22 THR A 89 7.129 7.974 -12.972 1.00 55.50 H new ATOM 0 HG23 THR A 89 6.130 6.877 -13.956 1.00 55.50 H new ATOM 1440 N ASP A 90 3.491 8.411 -10.087 1.00 11.14 N ATOM 1441 CA ASP A 90 2.280 8.673 -9.318 1.00 12.32 C ATOM 1442 C ASP A 90 1.035 8.411 -10.159 1.00 74.11 C ATOM 1443 O ASP A 90 0.048 7.862 -9.669 1.00 40.22 O ATOM 1444 CB ASP A 90 2.274 10.117 -8.812 1.00 33.43 C ATOM 1445 CG ASP A 90 2.443 11.124 -9.932 1.00 70.32 C ATOM 1446 OD1 ASP A 90 3.586 11.300 -10.405 1.00 32.34 O ATOM 1447 OD2 ASP A 90 1.433 11.735 -10.337 1.00 54.24 O ATOM 0 H ASP A 90 4.146 9.192 -10.121 1.00 11.14 H new ATOM 0 HA ASP A 90 2.268 7.996 -8.463 1.00 12.32 H new ATOM 0 HB2 ASP A 90 1.337 10.312 -8.290 1.00 33.43 H new ATOM 0 HB3 ASP A 90 3.076 10.248 -8.086 1.00 33.43 H new ATOM 1452 N GLN A 91 1.089 8.808 -11.426 1.00 75.25 N ATOM 1453 CA GLN A 91 -0.036 8.617 -12.335 1.00 31.23 C ATOM 1454 C GLN A 91 -0.233 7.139 -12.654 1.00 61.41 C ATOM 1455 O GLN A 91 -1.362 6.672 -12.803 1.00 63.24 O ATOM 1456 CB GLN A 91 0.185 9.405 -13.627 1.00 22.11 C ATOM 1457 CG GLN A 91 0.279 10.907 -13.415 1.00 0.33 C ATOM 1458 CD GLN A 91 -0.751 11.676 -14.219 1.00 32.34 C ATOM 1459 OE1 GLN A 91 -0.636 11.802 -15.438 1.00 72.51 O ATOM 1460 NE2 GLN A 91 -1.767 12.195 -13.538 1.00 64.32 N ATOM 0 H GLN A 91 1.899 9.264 -11.847 1.00 75.25 H new ATOM 0 HA GLN A 91 -0.935 8.987 -11.842 1.00 31.23 H new ATOM 0 HB2 GLN A 91 1.101 9.056 -14.104 1.00 22.11 H new ATOM 0 HB3 GLN A 91 -0.633 9.194 -14.316 1.00 22.11 H new ATOM 0 HG2 GLN A 91 0.148 11.129 -12.356 1.00 0.33 H new ATOM 0 HG3 GLN A 91 1.277 11.247 -13.691 1.00 0.33 H new ATOM 0 HE21 GLN A 91 -1.823 12.066 -12.528 1.00 64.32 H new ATOM 0 HE22 GLN A 91 -2.491 12.722 -14.026 1.00 64.32 H new ATOM 1469 N GLN A 92 0.873 6.408 -12.758 1.00 12.32 N ATOM 1470 CA GLN A 92 0.821 4.983 -13.061 1.00 33.03 C ATOM 1471 C GLN A 92 0.188 4.205 -11.912 1.00 22.15 C ATOM 1472 O GLN A 92 -0.544 3.241 -12.131 1.00 22.12 O ATOM 1473 CB GLN A 92 2.226 4.448 -13.342 1.00 11.10 C ATOM 1474 CG GLN A 92 2.553 4.346 -14.823 1.00 50.21 C ATOM 1475 CD GLN A 92 3.221 3.034 -15.184 1.00 51.13 C ATOM 1476 OE1 GLN A 92 2.552 2.028 -15.420 1.00 34.34 O ATOM 1477 NE2 GLN A 92 4.548 3.038 -15.230 1.00 50.13 N ATOM 0 H GLN A 92 1.815 6.779 -12.637 1.00 12.32 H new ATOM 0 HA GLN A 92 0.205 4.849 -13.950 1.00 33.03 H new ATOM 0 HB2 GLN A 92 2.956 5.099 -12.861 1.00 11.10 H new ATOM 0 HB3 GLN A 92 2.328 3.463 -12.887 1.00 11.10 H new ATOM 0 HG2 GLN A 92 1.636 4.454 -15.402 1.00 50.21 H new ATOM 0 HG3 GLN A 92 3.207 5.172 -15.105 1.00 50.21 H new ATOM 0 HE21 GLN A 92 5.063 3.895 -15.027 1.00 50.13 H new ATOM 0 HE22 GLN A 92 5.053 2.184 -15.468 1.00 50.13 H new ATOM 1486 N ASN A 93 0.476 4.631 -10.686 1.00 25.31 N ATOM 1487 CA ASN A 93 -0.064 3.973 -9.502 1.00 24.14 C ATOM 1488 C ASN A 93 -1.520 4.368 -9.276 1.00 41.13 C ATOM 1489 O ASN A 93 -2.372 3.519 -9.016 1.00 75.32 O ATOM 1490 CB ASN A 93 0.770 4.330 -8.269 1.00 51.34 C ATOM 1491 CG ASN A 93 2.078 3.564 -8.214 1.00 53.40 C ATOM 1492 OD1 ASN A 93 2.461 3.043 -7.167 1.00 13.14 O ATOM 1493 ND2 ASN A 93 2.770 3.494 -9.345 1.00 71.40 N ATOM 0 H ASN A 93 1.080 5.428 -10.487 1.00 25.31 H new ATOM 0 HA ASN A 93 -0.019 2.896 -9.664 1.00 24.14 H new ATOM 0 HB2 ASN A 93 0.979 5.400 -8.272 1.00 51.34 H new ATOM 0 HB3 ASN A 93 0.191 4.121 -7.369 1.00 51.34 H new ATOM 0 HD21 ASN A 93 3.658 2.993 -9.369 1.00 71.40 H new ATOM 0 HD22 ASN A 93 2.414 3.941 -10.189 1.00 71.40 H new ATOM 1500 N LYS A 94 -1.798 5.663 -9.379 1.00 13.23 N ATOM 1501 CA LYS A 94 -3.151 6.173 -9.188 1.00 71.15 C ATOM 1502 C LYS A 94 -4.102 5.593 -10.230 1.00 54.24 C ATOM 1503 O LYS A 94 -5.195 5.135 -9.899 1.00 30.33 O ATOM 1504 CB LYS A 94 -3.159 7.701 -9.270 1.00 4.13 C ATOM 1505 CG LYS A 94 -4.490 8.324 -8.886 1.00 43.03 C ATOM 1506 CD LYS A 94 -4.832 9.503 -9.782 1.00 74.41 C ATOM 1507 CE LYS A 94 -4.069 10.753 -9.374 1.00 42.23 C ATOM 1508 NZ LYS A 94 -4.688 11.988 -9.932 1.00 22.52 N ATOM 0 H LYS A 94 -1.104 6.379 -9.594 1.00 13.23 H new ATOM 0 HA LYS A 94 -3.492 5.867 -8.199 1.00 71.15 H new ATOM 0 HB2 LYS A 94 -2.381 8.096 -8.617 1.00 4.13 H new ATOM 0 HB3 LYS A 94 -2.906 8.003 -10.286 1.00 4.13 H new ATOM 0 HG2 LYS A 94 -5.277 7.573 -8.954 1.00 43.03 H new ATOM 0 HG3 LYS A 94 -4.453 8.653 -7.848 1.00 43.03 H new ATOM 0 HD2 LYS A 94 -4.598 9.254 -10.817 1.00 74.41 H new ATOM 0 HD3 LYS A 94 -5.903 9.698 -9.735 1.00 74.41 H new ATOM 0 HE2 LYS A 94 -4.039 10.821 -8.287 1.00 42.23 H new ATOM 0 HE3 LYS A 94 -3.037 10.677 -9.717 1.00 42.23 H new ATOM 0 HZ1 LYS A 94 -4.139 12.818 -9.631 1.00 22.52 H new ATOM 0 HZ2 LYS A 94 -4.694 11.935 -10.971 1.00 22.52 H new ATOM 0 HZ3 LYS A 94 -5.664 12.075 -9.584 1.00 22.52 H new ATOM 1522 N GLU A 95 -3.678 5.616 -11.490 1.00 55.32 N ATOM 1523 CA GLU A 95 -4.494 5.092 -12.580 1.00 22.15 C ATOM 1524 C GLU A 95 -4.659 3.580 -12.456 1.00 61.15 C ATOM 1525 O GLU A 95 -5.714 3.032 -12.775 1.00 73.23 O ATOM 1526 CB GLU A 95 -3.864 5.439 -13.930 1.00 70.02 C ATOM 1527 CG GLU A 95 -3.912 6.921 -14.261 1.00 52.14 C ATOM 1528 CD GLU A 95 -5.049 7.272 -15.202 1.00 2.02 C ATOM 1529 OE1 GLU A 95 -4.932 6.980 -16.410 1.00 63.21 O ATOM 1530 OE2 GLU A 95 -6.056 7.839 -14.728 1.00 40.05 O ATOM 0 H GLU A 95 -2.775 5.991 -11.781 1.00 55.32 H new ATOM 0 HA GLU A 95 -5.479 5.554 -12.518 1.00 22.15 H new ATOM 0 HB2 GLU A 95 -2.825 5.108 -13.932 1.00 70.02 H new ATOM 0 HB3 GLU A 95 -4.377 4.883 -14.715 1.00 70.02 H new ATOM 0 HG2 GLU A 95 -4.019 7.492 -13.339 1.00 52.14 H new ATOM 0 HG3 GLU A 95 -2.966 7.219 -14.713 1.00 52.14 H new ATOM 1537 N TYR A 96 -3.609 2.912 -11.993 1.00 4.04 N ATOM 1538 CA TYR A 96 -3.635 1.463 -11.830 1.00 10.30 C ATOM 1539 C TYR A 96 -4.771 1.040 -10.904 1.00 71.30 C ATOM 1540 O TYR A 96 -5.509 0.098 -11.198 1.00 45.14 O ATOM 1541 CB TYR A 96 -2.299 0.967 -11.276 1.00 24.21 C ATOM 1542 CG TYR A 96 -2.282 -0.514 -10.970 1.00 15.21 C ATOM 1543 CD1 TYR A 96 -2.682 -0.991 -9.727 1.00 45.42 C ATOM 1544 CD2 TYR A 96 -1.867 -1.436 -11.923 1.00 14.13 C ATOM 1545 CE1 TYR A 96 -2.668 -2.342 -9.443 1.00 21.42 C ATOM 1546 CE2 TYR A 96 -1.852 -2.790 -11.648 1.00 1.54 C ATOM 1547 CZ TYR A 96 -2.253 -3.238 -10.406 1.00 42.23 C ATOM 1548 OH TYR A 96 -2.237 -4.585 -10.128 1.00 35.42 O ATOM 0 H TYR A 96 -2.728 3.351 -11.724 1.00 4.04 H new ATOM 0 HA TYR A 96 -3.803 1.015 -12.810 1.00 10.30 H new ATOM 0 HB2 TYR A 96 -1.512 1.190 -11.996 1.00 24.21 H new ATOM 0 HB3 TYR A 96 -2.065 1.520 -10.366 1.00 24.21 H new ATOM 0 HD1 TYR A 96 -3.009 -0.293 -8.971 1.00 45.42 H new ATOM 0 HD2 TYR A 96 -1.551 -1.088 -12.895 1.00 14.13 H new ATOM 0 HE1 TYR A 96 -2.980 -2.696 -8.472 1.00 21.42 H new ATOM 0 HE2 TYR A 96 -1.528 -3.494 -12.401 1.00 1.54 H new ATOM 0 HH TYR A 96 -2.613 -4.739 -9.236 1.00 35.42 H new ATOM 1558 N CYS A 97 -4.906 1.742 -9.785 1.00 20.04 N ATOM 1559 CA CYS A 97 -5.952 1.440 -8.814 1.00 20.01 C ATOM 1560 C CYS A 97 -7.330 1.761 -9.382 1.00 74.23 C ATOM 1561 O CYS A 97 -8.307 1.069 -9.096 1.00 74.11 O ATOM 1562 CB CYS A 97 -5.723 2.229 -7.524 1.00 24.11 C ATOM 1563 SG CYS A 97 -4.098 1.964 -6.776 1.00 1.42 S ATOM 0 H CYS A 97 -4.304 2.524 -9.527 1.00 20.04 H new ATOM 0 HA CYS A 97 -5.910 0.374 -8.592 1.00 20.01 H new ATOM 0 HB2 CYS A 97 -5.846 3.292 -7.734 1.00 24.11 H new ATOM 0 HB3 CYS A 97 -6.493 1.956 -6.802 1.00 24.11 H new ATOM 0 HG CYS A 97 -3.182 2.497 -7.528 1.00 1.42 H new ATOM 1569 N SER A 98 -7.402 2.816 -10.188 1.00 23.31 N ATOM 1570 CA SER A 98 -8.662 3.232 -10.792 1.00 43.04 C ATOM 1571 C SER A 98 -9.001 2.360 -11.997 1.00 64.34 C ATOM 1572 O SER A 98 -10.122 2.389 -12.505 1.00 0.13 O ATOM 1573 CB SER A 98 -8.588 4.700 -11.216 1.00 41.21 C ATOM 1574 OG SER A 98 -9.866 5.190 -11.584 1.00 62.44 O ATOM 0 H SER A 98 -6.602 3.398 -10.438 1.00 23.31 H new ATOM 0 HA SER A 98 -9.449 3.115 -10.048 1.00 43.04 H new ATOM 0 HB2 SER A 98 -8.188 5.298 -10.398 1.00 41.21 H new ATOM 0 HB3 SER A 98 -7.899 4.805 -12.054 1.00 41.21 H new ATOM 0 HG SER A 98 -10.378 4.475 -12.017 1.00 62.44 H new ATOM 1580 N LYS A 99 -8.023 1.583 -12.451 1.00 44.12 N ATOM 1581 CA LYS A 99 -8.215 0.700 -13.596 1.00 4.33 C ATOM 1582 C LYS A 99 -9.362 -0.273 -13.345 1.00 70.15 C ATOM 1583 O LYS A 99 -9.949 -0.808 -14.285 1.00 73.21 O ATOM 1584 CB LYS A 99 -6.928 -0.076 -13.889 1.00 14.52 C ATOM 1585 CG LYS A 99 -7.038 -1.005 -15.085 1.00 42.44 C ATOM 1586 CD LYS A 99 -5.789 -1.854 -15.248 1.00 24.32 C ATOM 1587 CE LYS A 99 -5.592 -2.789 -14.064 1.00 14.31 C ATOM 1588 NZ LYS A 99 -5.258 -4.173 -14.499 1.00 74.13 N ATOM 0 H LYS A 99 -7.089 1.547 -12.043 1.00 44.12 H new ATOM 0 HA LYS A 99 -8.466 1.315 -14.460 1.00 4.33 H new ATOM 0 HB2 LYS A 99 -6.118 0.632 -14.063 1.00 14.52 H new ATOM 0 HB3 LYS A 99 -6.657 -0.660 -13.009 1.00 14.52 H new ATOM 0 HG2 LYS A 99 -7.906 -1.653 -14.965 1.00 42.44 H new ATOM 0 HG3 LYS A 99 -7.201 -0.418 -15.989 1.00 42.44 H new ATOM 0 HD2 LYS A 99 -5.862 -2.438 -16.166 1.00 24.32 H new ATOM 0 HD3 LYS A 99 -4.918 -1.206 -15.350 1.00 24.32 H new ATOM 0 HE2 LYS A 99 -4.794 -2.406 -13.428 1.00 14.31 H new ATOM 0 HE3 LYS A 99 -6.500 -2.807 -13.461 1.00 14.31 H new ATOM 0 HZ1 LYS A 99 -5.132 -4.779 -13.663 1.00 74.13 H new ATOM 0 HZ2 LYS A 99 -6.031 -4.549 -15.085 1.00 74.13 H new ATOM 0 HZ3 LYS A 99 -4.378 -4.160 -15.053 1.00 74.13 H new ATOM 1602 N GLU A 100 -9.676 -0.496 -12.073 1.00 73.12 N ATOM 1603 CA GLU A 100 -10.754 -1.405 -11.701 1.00 54.23 C ATOM 1604 C GLU A 100 -12.116 -0.788 -12.009 1.00 60.54 C ATOM 1605 O GLU A 100 -13.117 -1.494 -12.128 1.00 24.42 O ATOM 1606 CB GLU A 100 -10.666 -1.755 -10.215 1.00 23.45 C ATOM 1607 CG GLU A 100 -9.568 -2.754 -9.889 1.00 43.01 C ATOM 1608 CD GLU A 100 -8.210 -2.098 -9.734 1.00 4.31 C ATOM 1609 OE1 GLU A 100 -7.904 -1.622 -8.621 1.00 4.03 O ATOM 1610 OE2 GLU A 100 -7.453 -2.060 -10.727 1.00 24.34 O ATOM 0 H GLU A 100 -9.200 -0.060 -11.283 1.00 73.12 H new ATOM 0 HA GLU A 100 -10.645 -2.316 -12.289 1.00 54.23 H new ATOM 0 HB2 GLU A 100 -10.496 -0.842 -9.645 1.00 23.45 H new ATOM 0 HB3 GLU A 100 -11.624 -2.161 -9.889 1.00 23.45 H new ATOM 0 HG2 GLU A 100 -9.821 -3.279 -8.968 1.00 43.01 H new ATOM 0 HG3 GLU A 100 -9.517 -3.503 -10.679 1.00 43.01 H new ATOM 1617 N GLY A 101 -12.145 0.535 -12.137 1.00 60.35 N ATOM 1618 CA GLY A 101 -13.388 1.225 -12.430 1.00 22.43 C ATOM 1619 C GLY A 101 -14.184 1.540 -11.179 1.00 20.21 C ATOM 1620 O GLY A 101 -15.233 2.178 -11.248 1.00 12.34 O ATOM 0 H GLY A 101 -11.330 1.141 -12.043 1.00 60.35 H new ATOM 0 HA2 GLY A 101 -13.169 2.152 -12.961 1.00 22.43 H new ATOM 0 HA3 GLY A 101 -13.993 0.611 -13.097 1.00 22.43 H new ATOM 1624 N ASN A 102 -13.685 1.089 -10.032 1.00 41.35 N ATOM 1625 CA ASN A 102 -14.358 1.325 -8.761 1.00 14.14 C ATOM 1626 C ASN A 102 -13.368 1.794 -7.699 1.00 42.12 C ATOM 1627 O ASN A 102 -12.373 1.122 -7.422 1.00 74.00 O ATOM 1628 CB ASN A 102 -15.063 0.052 -8.289 1.00 73.41 C ATOM 1629 CG ASN A 102 -16.566 0.118 -8.480 1.00 13.32 C ATOM 1630 OD1 ASN A 102 -17.053 0.612 -9.497 1.00 62.12 O ATOM 1631 ND2 ASN A 102 -17.310 -0.380 -7.498 1.00 44.54 N ATOM 0 H ASN A 102 -12.817 0.558 -9.958 1.00 41.35 H new ATOM 0 HA ASN A 102 -15.100 2.109 -8.912 1.00 14.14 H new ATOM 0 HB2 ASN A 102 -14.667 -0.803 -8.837 1.00 73.41 H new ATOM 0 HB3 ASN A 102 -14.840 -0.114 -7.235 1.00 73.41 H new ATOM 0 HD21 ASN A 102 -18.327 -0.362 -7.570 1.00 44.54 H new ATOM 0 HD22 ASN A 102 -16.864 -0.780 -6.673 1.00 44.54 H new ATOM 1638 N LEU A 103 -13.646 2.951 -7.108 1.00 72.41 N ATOM 1639 CA LEU A 103 -12.780 3.510 -6.076 1.00 13.31 C ATOM 1640 C LEU A 103 -13.272 3.124 -4.685 1.00 25.44 C ATOM 1641 O LEU A 103 -14.473 3.133 -4.414 1.00 31.32 O ATOM 1642 CB LEU A 103 -12.721 5.033 -6.203 1.00 42.51 C ATOM 1643 CG LEU A 103 -11.346 5.628 -6.510 1.00 41.21 C ATOM 1644 CD1 LEU A 103 -10.430 5.507 -5.302 1.00 13.31 C ATOM 1645 CD2 LEU A 103 -10.727 4.945 -7.721 1.00 34.42 C ATOM 0 H LEU A 103 -14.464 3.520 -7.326 1.00 72.41 H new ATOM 0 HA LEU A 103 -11.779 3.100 -6.214 1.00 13.31 H new ATOM 0 HB2 LEU A 103 -13.411 5.339 -6.989 1.00 42.51 H new ATOM 0 HB3 LEU A 103 -13.084 5.470 -5.273 1.00 42.51 H new ATOM 0 HG LEU A 103 -11.473 6.686 -6.740 1.00 41.21 H new ATOM 0 HD11 LEU A 103 -9.456 5.936 -5.539 1.00 13.31 H new ATOM 0 HD12 LEU A 103 -10.867 6.043 -4.459 1.00 13.31 H new ATOM 0 HD13 LEU A 103 -10.310 4.456 -5.041 1.00 13.31 H new ATOM 0 HD21 LEU A 103 -9.749 5.381 -7.925 1.00 34.42 H new ATOM 0 HD22 LEU A 103 -10.614 3.880 -7.520 1.00 34.42 H new ATOM 0 HD23 LEU A 103 -11.374 5.084 -8.587 1.00 34.42 H new ATOM 1657 N LEU A 104 -12.335 2.786 -3.805 1.00 0.11 N ATOM 1658 CA LEU A 104 -12.672 2.398 -2.440 1.00 1.44 C ATOM 1659 C LEU A 104 -12.300 3.500 -1.453 1.00 4.41 C ATOM 1660 O LEU A 104 -13.024 3.757 -0.491 1.00 63.35 O ATOM 1661 CB LEU A 104 -11.955 1.100 -2.066 1.00 30.24 C ATOM 1662 CG LEU A 104 -12.623 0.252 -0.983 1.00 13.25 C ATOM 1663 CD1 LEU A 104 -12.655 1.003 0.339 1.00 3.25 C ATOM 1664 CD2 LEU A 104 -14.030 -0.143 -1.407 1.00 31.20 C ATOM 0 H LEU A 104 -11.336 2.773 -4.013 1.00 0.11 H new ATOM 0 HA LEU A 104 -13.749 2.239 -2.389 1.00 1.44 H new ATOM 0 HB2 LEU A 104 -11.855 0.492 -2.965 1.00 30.24 H new ATOM 0 HB3 LEU A 104 -10.947 1.348 -1.735 1.00 30.24 H new ATOM 0 HG LEU A 104 -12.037 -0.657 -0.848 1.00 13.25 H new ATOM 0 HD11 LEU A 104 -13.134 0.384 1.098 1.00 3.25 H new ATOM 0 HD12 LEU A 104 -11.637 1.235 0.650 1.00 3.25 H new ATOM 0 HD13 LEU A 104 -13.218 1.929 0.218 1.00 3.25 H new ATOM 0 HD21 LEU A 104 -14.490 -0.746 -0.624 1.00 31.20 H new ATOM 0 HD22 LEU A 104 -14.626 0.755 -1.571 1.00 31.20 H new ATOM 0 HD23 LEU A 104 -13.983 -0.721 -2.330 1.00 31.20 H new ATOM 1676 N MET A 105 -11.167 4.150 -1.699 1.00 42.34 N ATOM 1677 CA MET A 105 -10.700 5.228 -0.834 1.00 75.41 C ATOM 1678 C MET A 105 -9.801 6.191 -1.602 1.00 61.10 C ATOM 1679 O MET A 105 -8.944 5.769 -2.378 1.00 34.51 O ATOM 1680 CB MET A 105 -9.946 4.655 0.368 1.00 52.15 C ATOM 1681 CG MET A 105 -8.998 5.649 1.019 1.00 32.44 C ATOM 1682 SD MET A 105 -8.886 5.432 2.806 1.00 64.32 S ATOM 1683 CE MET A 105 -7.399 4.441 2.934 1.00 70.24 C ATOM 0 H MET A 105 -10.555 3.949 -2.490 1.00 42.34 H new ATOM 0 HA MET A 105 -11.571 5.779 -0.479 1.00 75.41 H new ATOM 0 HB2 MET A 105 -10.667 4.313 1.110 1.00 52.15 H new ATOM 0 HB3 MET A 105 -9.379 3.780 0.048 1.00 52.15 H new ATOM 0 HG2 MET A 105 -8.006 5.540 0.581 1.00 32.44 H new ATOM 0 HG3 MET A 105 -9.334 6.663 0.800 1.00 32.44 H new ATOM 0 HE1 MET A 105 -7.027 4.474 3.958 1.00 70.24 H new ATOM 0 HE2 MET A 105 -7.625 3.410 2.663 1.00 70.24 H new ATOM 0 HE3 MET A 105 -6.640 4.836 2.259 1.00 70.24 H new ATOM 1693 N GLU A 106 -10.002 7.486 -1.380 1.00 53.12 N ATOM 1694 CA GLU A 106 -9.209 8.508 -2.053 1.00 72.02 C ATOM 1695 C GLU A 106 -8.648 9.511 -1.049 1.00 34.43 C ATOM 1696 O GLU A 106 -9.377 10.355 -0.526 1.00 44.32 O ATOM 1697 CB GLU A 106 -10.056 9.236 -3.099 1.00 15.45 C ATOM 1698 CG GLU A 106 -9.265 10.216 -3.948 1.00 41.05 C ATOM 1699 CD GLU A 106 -9.945 11.566 -4.070 1.00 33.35 C ATOM 1700 OE1 GLU A 106 -11.149 11.597 -4.401 1.00 63.51 O ATOM 1701 OE2 GLU A 106 -9.273 12.592 -3.832 1.00 75.51 O ATOM 0 H GLU A 106 -10.707 7.852 -0.740 1.00 53.12 H new ATOM 0 HA GLU A 106 -8.375 8.014 -2.551 1.00 72.02 H new ATOM 0 HB2 GLU A 106 -10.525 8.499 -3.751 1.00 15.45 H new ATOM 0 HB3 GLU A 106 -10.860 9.772 -2.594 1.00 15.45 H new ATOM 0 HG2 GLU A 106 -8.275 10.351 -3.513 1.00 41.05 H new ATOM 0 HG3 GLU A 106 -9.121 9.795 -4.943 1.00 41.05 H new ATOM 1708 N CYS A 107 -7.351 9.410 -0.783 1.00 42.04 N ATOM 1709 CA CYS A 107 -6.691 10.307 0.160 1.00 74.45 C ATOM 1710 C CYS A 107 -5.259 10.597 -0.277 1.00 31.21 C ATOM 1711 O CYS A 107 -4.777 10.046 -1.266 1.00 1.22 O ATOM 1712 CB CYS A 107 -6.697 9.698 1.563 1.00 44.23 C ATOM 1713 SG CYS A 107 -8.350 9.428 2.244 1.00 65.01 S ATOM 0 H CYS A 107 -6.735 8.716 -1.207 1.00 42.04 H new ATOM 0 HA CYS A 107 -7.243 11.247 0.178 1.00 74.45 H new ATOM 0 HB2 CYS A 107 -6.167 8.746 1.536 1.00 44.23 H new ATOM 0 HB3 CYS A 107 -6.142 10.353 2.234 1.00 44.23 H new ATOM 0 HG CYS A 107 -9.242 9.838 1.392 1.00 65.01 H new ATOM 1719 N GLY A 108 -4.584 11.467 0.468 1.00 42.35 N ATOM 1720 CA GLY A 108 -3.214 11.817 0.141 1.00 42.24 C ATOM 1721 C GLY A 108 -3.098 12.517 -1.199 1.00 71.21 C ATOM 1722 O GLY A 108 -4.106 12.826 -1.835 1.00 25.43 O ATOM 0 H GLY A 108 -4.961 11.935 1.292 1.00 42.35 H new ATOM 0 HA2 GLY A 108 -2.811 12.463 0.921 1.00 42.24 H new ATOM 0 HA3 GLY A 108 -2.604 10.914 0.129 1.00 42.24 H new ATOM 1726 N ALA A 109 -1.866 12.769 -1.629 1.00 1.03 N ATOM 1727 CA ALA A 109 -1.622 13.436 -2.901 1.00 53.45 C ATOM 1728 C ALA A 109 -1.022 12.473 -3.920 1.00 52.42 C ATOM 1729 O ALA A 109 -0.379 11.484 -3.571 1.00 25.33 O ATOM 1730 CB ALA A 109 -0.707 14.635 -2.702 1.00 64.01 C ATOM 0 H ALA A 109 -1.021 12.521 -1.114 1.00 1.03 H new ATOM 0 HA ALA A 109 -2.579 13.784 -3.289 1.00 53.45 H new ATOM 0 HB1 ALA A 109 -0.534 15.123 -3.661 1.00 64.01 H new ATOM 0 HB2 ALA A 109 -1.175 15.340 -2.015 1.00 64.01 H new ATOM 0 HB3 ALA A 109 0.244 14.302 -2.287 1.00 64.01 H new ATOM 1736 N PRO A 110 -1.237 12.767 -5.211 1.00 41.02 N ATOM 1737 CA PRO A 110 -0.725 11.939 -6.307 1.00 73.32 C ATOM 1738 C PRO A 110 0.791 12.024 -6.439 1.00 25.22 C ATOM 1739 O PRO A 110 1.310 12.671 -7.349 1.00 74.31 O ATOM 1740 CB PRO A 110 -1.403 12.530 -7.545 1.00 55.44 C ATOM 1741 CG PRO A 110 -1.702 13.942 -7.175 1.00 54.24 C ATOM 1742 CD PRO A 110 -1.995 13.931 -5.701 1.00 33.45 C ATOM 0 HA PRO A 110 -0.938 10.881 -6.152 1.00 73.32 H new ATOM 0 HB2 PRO A 110 -0.750 12.479 -8.416 1.00 55.44 H new ATOM 0 HB3 PRO A 110 -2.313 11.985 -7.796 1.00 55.44 H new ATOM 0 HG2 PRO A 110 -0.856 14.592 -7.400 1.00 54.24 H new ATOM 0 HG3 PRO A 110 -2.554 14.321 -7.739 1.00 54.24 H new ATOM 0 HD2 PRO A 110 -1.670 14.854 -5.220 1.00 33.45 H new ATOM 0 HD3 PRO A 110 -3.062 13.827 -5.504 1.00 33.45 H new ATOM 1750 N ARG A 111 1.498 11.367 -5.525 1.00 31.42 N ATOM 1751 CA ARG A 111 2.956 11.369 -5.539 1.00 33.01 C ATOM 1752 C ARG A 111 3.501 9.948 -5.644 1.00 73.44 C ATOM 1753 O ARG A 111 2.843 8.988 -5.240 1.00 43.55 O ATOM 1754 CB ARG A 111 3.498 12.042 -4.277 1.00 1.12 C ATOM 1755 CG ARG A 111 3.417 11.167 -3.037 1.00 33.12 C ATOM 1756 CD ARG A 111 4.010 11.864 -1.823 1.00 11.53 C ATOM 1757 NE ARG A 111 5.326 12.431 -2.106 1.00 30.25 N ATOM 1758 CZ ARG A 111 5.903 13.360 -1.352 1.00 43.45 C ATOM 1759 NH1 ARG A 111 5.284 13.826 -0.276 1.00 72.55 N ATOM 1760 NH2 ARG A 111 7.103 13.826 -1.675 1.00 41.30 N ATOM 0 H ARG A 111 1.084 10.826 -4.765 1.00 31.42 H new ATOM 0 HA ARG A 111 3.285 11.931 -6.413 1.00 33.01 H new ATOM 0 HB2 ARG A 111 4.537 12.325 -4.444 1.00 1.12 H new ATOM 0 HB3 ARG A 111 2.942 12.962 -4.099 1.00 1.12 H new ATOM 0 HG2 ARG A 111 2.376 10.911 -2.838 1.00 33.12 H new ATOM 0 HG3 ARG A 111 3.947 10.231 -3.215 1.00 33.12 H new ATOM 0 HD2 ARG A 111 3.337 12.656 -1.495 1.00 11.53 H new ATOM 0 HD3 ARG A 111 4.091 11.153 -1.000 1.00 11.53 H new ATOM 0 HE ARG A 111 5.829 12.095 -2.927 1.00 30.25 H new ATOM 0 HH11 ARG A 111 4.361 13.471 -0.025 1.00 72.55 H new ATOM 0 HH12 ARG A 111 5.730 14.539 0.300 1.00 72.55 H new ATOM 0 HH21 ARG A 111 7.582 13.471 -2.502 1.00 41.30 H new ATOM 0 HH22 ARG A 111 7.546 14.539 -1.096 1.00 41.30 H new ATOM 1774 N SER A 112 4.706 9.820 -6.191 1.00 12.45 N ATOM 1775 CA SER A 112 5.338 8.516 -6.353 1.00 55.33 C ATOM 1776 C SER A 112 6.676 8.466 -5.623 1.00 42.12 C ATOM 1777 O SER A 112 6.850 7.699 -4.676 1.00 52.44 O ATOM 1778 CB SER A 112 5.541 8.207 -7.838 1.00 23.54 C ATOM 1779 OG SER A 112 6.792 7.580 -8.061 1.00 24.53 O ATOM 0 H SER A 112 5.264 10.604 -6.529 1.00 12.45 H new ATOM 0 HA SER A 112 4.680 7.763 -5.919 1.00 55.33 H new ATOM 0 HB2 SER A 112 4.738 7.560 -8.191 1.00 23.54 H new ATOM 0 HB3 SER A 112 5.485 9.129 -8.416 1.00 23.54 H new ATOM 0 HG SER A 112 6.668 6.799 -8.639 1.00 24.53 H new ATOM 1785 N GLN A 113 7.619 9.289 -6.071 1.00 53.15 N ATOM 1786 CA GLN A 113 8.942 9.338 -5.462 1.00 3.33 C ATOM 1787 C GLN A 113 9.276 10.752 -4.998 1.00 14.43 C ATOM 1788 O GLN A 113 8.531 11.695 -5.262 1.00 52.14 O ATOM 1789 CB GLN A 113 10.002 8.851 -6.452 1.00 35.33 C ATOM 1790 CG GLN A 113 10.457 7.422 -6.201 1.00 3.44 C ATOM 1791 CD GLN A 113 11.245 6.849 -7.362 1.00 24.45 C ATOM 1792 OE1 GLN A 113 12.476 6.813 -7.334 1.00 50.23 O ATOM 1793 NE2 GLN A 113 10.539 6.395 -8.390 1.00 50.03 N ATOM 0 H GLN A 113 7.491 9.931 -6.853 1.00 53.15 H new ATOM 0 HA GLN A 113 8.938 8.681 -4.593 1.00 3.33 H new ATOM 0 HB2 GLN A 113 9.603 8.924 -7.464 1.00 35.33 H new ATOM 0 HB3 GLN A 113 10.866 9.513 -6.401 1.00 35.33 H new ATOM 0 HG2 GLN A 113 11.071 7.393 -5.301 1.00 3.44 H new ATOM 0 HG3 GLN A 113 9.586 6.795 -6.013 1.00 3.44 H new ATOM 0 HE21 GLN A 113 9.520 6.445 -8.371 1.00 50.03 H new ATOM 0 HE22 GLN A 113 11.015 5.996 -9.199 1.00 50.03 H new ATOM 1802 N GLY A 114 10.401 10.892 -4.303 1.00 13.41 N ATOM 1803 CA GLY A 114 10.812 12.195 -3.813 1.00 25.34 C ATOM 1804 C GLY A 114 11.963 12.777 -4.610 1.00 12.14 C ATOM 1805 O GLY A 114 12.426 12.171 -5.575 1.00 23.30 O ATOM 0 H GLY A 114 11.035 10.127 -4.071 1.00 13.41 H new ATOM 0 HA2 GLY A 114 9.964 12.879 -3.853 1.00 25.34 H new ATOM 0 HA3 GLY A 114 11.105 12.111 -2.766 1.00 25.34 H new ATOM 1809 N GLN A 115 12.423 13.957 -4.206 1.00 71.10 N ATOM 1810 CA GLN A 115 13.525 14.622 -4.892 1.00 35.13 C ATOM 1811 C GLN A 115 14.266 15.562 -3.947 1.00 14.21 C ATOM 1812 O GLN A 115 15.457 15.388 -3.690 1.00 31.51 O ATOM 1813 CB GLN A 115 13.004 15.401 -6.101 1.00 65.32 C ATOM 1814 CG GLN A 115 13.292 14.722 -7.431 1.00 13.40 C ATOM 1815 CD GLN A 115 12.297 15.107 -8.509 1.00 25.21 C ATOM 1816 OE1 GLN A 115 11.904 16.268 -8.621 1.00 51.20 O ATOM 1817 NE2 GLN A 115 11.885 14.131 -9.310 1.00 5.02 N ATOM 0 H GLN A 115 12.050 14.472 -3.408 1.00 71.10 H new ATOM 0 HA GLN A 115 14.222 13.857 -5.234 1.00 35.13 H new ATOM 0 HB2 GLN A 115 11.928 15.539 -5.998 1.00 65.32 H new ATOM 0 HB3 GLN A 115 13.453 16.394 -6.104 1.00 65.32 H new ATOM 0 HG2 GLN A 115 14.298 14.985 -7.759 1.00 13.40 H new ATOM 0 HG3 GLN A 115 13.274 13.641 -7.294 1.00 13.40 H new ATOM 0 HE21 GLN A 115 12.237 13.182 -9.181 1.00 5.02 H new ATOM 0 HE22 GLN A 115 11.216 14.330 -10.054 1.00 5.02 H new ATOM 1826 N ARG A 116 13.553 16.559 -3.433 1.00 51.31 N ATOM 1827 CA ARG A 116 14.144 17.528 -2.518 1.00 13.22 C ATOM 1828 C ARG A 116 14.327 16.923 -1.129 1.00 65.33 C ATOM 1829 O ARG A 116 14.561 15.722 -0.991 1.00 63.12 O ATOM 1830 CB ARG A 116 13.266 18.778 -2.429 1.00 4.33 C ATOM 1831 CG ARG A 116 11.834 18.488 -2.012 1.00 54.44 C ATOM 1832 CD ARG A 116 11.385 19.405 -0.885 1.00 72.01 C ATOM 1833 NE ARG A 116 11.485 18.757 0.420 1.00 44.20 N ATOM 1834 CZ ARG A 116 11.162 19.352 1.563 1.00 54.23 C ATOM 1835 NH1 ARG A 116 10.718 20.602 1.561 1.00 64.21 N ATOM 1836 NH2 ARG A 116 11.281 18.697 2.710 1.00 35.23 N ATOM 0 H ARG A 116 12.566 16.717 -3.635 1.00 51.31 H new ATOM 0 HA ARG A 116 15.124 17.806 -2.906 1.00 13.22 H new ATOM 0 HB2 ARG A 116 13.709 19.473 -1.716 1.00 4.33 H new ATOM 0 HB3 ARG A 116 13.259 19.277 -3.398 1.00 4.33 H new ATOM 0 HG2 ARG A 116 11.172 18.612 -2.869 1.00 54.44 H new ATOM 0 HG3 ARG A 116 11.750 17.449 -1.693 1.00 54.44 H new ATOM 0 HD2 ARG A 116 11.994 20.309 -0.889 1.00 72.01 H new ATOM 0 HD3 ARG A 116 10.354 19.714 -1.058 1.00 72.01 H new ATOM 0 HE ARG A 116 11.821 17.795 0.456 1.00 44.20 H new ATOM 0 HH11 ARG A 116 10.624 21.108 0.681 1.00 64.21 H new ATOM 0 HH12 ARG A 116 10.471 21.057 2.440 1.00 64.21 H new ATOM 0 HH21 ARG A 116 11.621 17.735 2.715 1.00 35.23 H new ATOM 0 HH22 ARG A 116 11.033 19.155 3.587 1.00 35.23 H new TER 1850 ARG A 116