USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 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 8 MET CE :methyl 141:sc= -0.118 (180deg=-0.44) USER MOD Set 1.2: A 9 ASN : amide:sc= -0.094 K(o=-0.21,f=-1.9) USER MOD Single : A 1 SER N :NH3+ 148:sc= 0.0867 (180deg=-0.215) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 159:sc= -0.151 (180deg=-0.708) USER MOD Single : A 15 SER OG : rot 65:sc= 0.0634 USER MOD Single : A 18 GLN : amide:sc= -1.93! C(o=-1.9!,f=-4.8!) USER MOD Single : A 21 LYS NZ :NH3+ -133:sc= 1.17 (180deg=0.72) USER MOD Single : A 22 MET CE :methyl 172:sc= -0.329 (180deg=-0.74) USER MOD Single : A 24 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.092) USER MOD Single : A 26 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.53) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 154:sc= -0.279 (180deg=-0.959) USER MOD Single : A 30 HIS : no HD1:sc= -0.0864 X(o=-0.086,f=0) USER MOD Single : A 31 ASN : amide:sc=-0.00183 X(o=-0.0018,f=-0.0018) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 35:sc= 1.27 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0555 (180deg=-0.353) USER MOD Single : A 46 SER OG : rot 80:sc= 1.18 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 144:sc= 1.13 (180deg=0.644) USER MOD Single : A 58 LYS NZ :NH3+ -163:sc= 0.0808 (180deg=0.0281) USER MOD Single : A 64 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.5!) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.405 K(o=-0.4,f=-0.95) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= -0.0613 (180deg=-0.376) USER MOD Single : A 73 TYR OH : rot 150:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 78:sc= 0.718 USER MOD Single : A 80 LYS NZ :NH3+ 158:sc= 1.27 (180deg=1.11) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.385 8.308 -23.385 1.00 0.00 N ATOM 2 CA SER A 1 -10.803 9.726 -23.381 1.00 0.00 C ATOM 3 C SER A 1 -12.242 9.840 -22.888 1.00 0.00 C ATOM 4 O SER A 1 -13.017 10.673 -23.360 1.00 0.00 O ATOM 5 CB SER A 1 -10.681 10.295 -24.793 1.00 0.00 C ATOM 6 OG SER A 1 -9.388 10.055 -25.324 1.00 0.00 O ATOM 0 H1 SER A 1 -9.709 8.148 -24.159 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.933 8.077 -22.477 1.00 0.00 H new ATOM 0 H3 SER A 1 -11.218 7.701 -23.522 1.00 0.00 H new ATOM 0 HA SER A 1 -10.158 10.294 -22.710 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.434 9.842 -25.438 1.00 0.00 H new ATOM 0 HB3 SER A 1 -10.879 11.367 -24.776 1.00 0.00 H new ATOM 0 HG SER A 1 -9.332 10.426 -26.229 1.00 0.00 H new ATOM 14 N ASP A 2 -12.585 9.002 -21.925 1.00 0.00 N ATOM 15 CA ASP A 2 -13.947 8.900 -21.436 1.00 0.00 C ATOM 16 C ASP A 2 -13.944 8.316 -20.027 1.00 0.00 C ATOM 17 O ASP A 2 -12.952 8.445 -19.304 1.00 0.00 O ATOM 18 CB ASP A 2 -14.783 8.034 -22.385 1.00 0.00 C ATOM 19 CG ASP A 2 -14.167 6.674 -22.620 1.00 0.00 C ATOM 20 OD1 ASP A 2 -13.170 6.588 -23.366 1.00 0.00 O ATOM 21 OD2 ASP A 2 -14.667 5.695 -22.045 1.00 0.00 O ATOM 0 H ASP A 2 -11.928 8.375 -21.461 1.00 0.00 H new ATOM 0 HA ASP A 2 -14.395 9.893 -21.399 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.784 7.910 -21.972 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -14.894 8.549 -23.339 1.00 0.00 H new ATOM 26 N ARG A 3 -15.044 7.680 -19.640 1.00 0.00 N ATOM 27 CA ARG A 3 -15.213 7.191 -18.274 1.00 0.00 C ATOM 28 C ARG A 3 -14.211 6.088 -17.933 1.00 0.00 C ATOM 29 O ARG A 3 -14.087 5.088 -18.638 1.00 0.00 O ATOM 30 CB ARG A 3 -16.656 6.712 -18.021 1.00 0.00 C ATOM 31 CG ARG A 3 -17.063 5.410 -18.713 1.00 0.00 C ATOM 32 CD ARG A 3 -17.096 5.543 -20.228 1.00 0.00 C ATOM 33 NE ARG A 3 -17.958 4.538 -20.852 1.00 0.00 N ATOM 34 CZ ARG A 3 -17.849 4.136 -22.121 1.00 0.00 C ATOM 35 NH1 ARG A 3 -16.811 4.517 -22.857 1.00 0.00 N ATOM 36 NH2 ARG A 3 -18.754 3.311 -22.637 1.00 0.00 N ATOM 0 H ARG A 3 -15.836 7.490 -20.255 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.014 8.034 -17.612 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.793 6.587 -16.947 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.340 7.499 -18.340 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.364 4.621 -18.436 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -18.047 5.105 -18.356 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -17.449 6.539 -20.496 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.084 5.447 -20.622 1.00 0.00 H new ATOM 0 HE ARG A 3 -18.690 4.117 -20.280 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -16.093 5.119 -22.453 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.732 4.208 -23.826 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.532 2.985 -22.064 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.671 3.004 -23.606 1.00 0.00 H new ATOM 50 N VAL A 4 -13.486 6.305 -16.848 1.00 0.00 N ATOM 51 CA VAL A 4 -12.545 5.325 -16.332 1.00 0.00 C ATOM 52 C VAL A 4 -12.880 5.016 -14.880 1.00 0.00 C ATOM 53 O VAL A 4 -13.963 5.361 -14.402 1.00 0.00 O ATOM 54 CB VAL A 4 -11.086 5.828 -16.431 1.00 0.00 C ATOM 55 CG1 VAL A 4 -10.657 5.963 -17.885 1.00 0.00 C ATOM 56 CG2 VAL A 4 -10.916 7.155 -15.699 1.00 0.00 C ATOM 0 H VAL A 4 -13.533 7.164 -16.301 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.631 4.423 -16.938 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.444 5.089 -15.951 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.627 6.318 -17.929 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.728 4.993 -18.377 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -11.308 6.675 -18.392 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.881 7.487 -15.784 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.574 7.902 -16.142 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -11.171 7.026 -14.647 1.00 0.00 H new ATOM 66 N LYS A 5 -11.960 4.366 -14.186 1.00 0.00 N ATOM 67 CA LYS A 5 -12.174 4.009 -12.794 1.00 0.00 C ATOM 68 C LYS A 5 -12.210 5.250 -11.914 1.00 0.00 C ATOM 69 O LYS A 5 -11.352 6.129 -12.013 1.00 0.00 O ATOM 70 CB LYS A 5 -11.103 3.027 -12.328 1.00 0.00 C ATOM 71 CG LYS A 5 -11.177 1.702 -13.066 1.00 0.00 C ATOM 72 CD LYS A 5 -12.550 1.069 -12.901 1.00 0.00 C ATOM 73 CE LYS A 5 -12.783 -0.053 -13.897 1.00 0.00 C ATOM 74 NZ LYS A 5 -14.101 -0.713 -13.684 1.00 0.00 N ATOM 0 H LYS A 5 -11.058 4.075 -14.564 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.143 3.518 -12.707 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.118 3.469 -12.477 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -11.215 2.851 -11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.968 1.858 -14.124 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.411 1.025 -12.686 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -12.651 0.681 -11.888 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -13.318 1.832 -13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.734 0.344 -14.911 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -11.987 -0.792 -13.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.225 -1.474 -14.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.138 -1.114 -12.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -14.862 -0.013 -13.796 1.00 0.00 H new ATOM 88 N ARG A 6 -13.224 5.309 -11.070 1.00 0.00 N ATOM 89 CA ARG A 6 -13.476 6.473 -10.240 1.00 0.00 C ATOM 90 C ARG A 6 -12.687 6.401 -8.944 1.00 0.00 C ATOM 91 O ARG A 6 -12.295 5.315 -8.508 1.00 0.00 O ATOM 92 CB ARG A 6 -14.966 6.550 -9.895 1.00 0.00 C ATOM 93 CG ARG A 6 -15.886 6.629 -11.098 1.00 0.00 C ATOM 94 CD ARG A 6 -15.725 7.944 -11.838 1.00 0.00 C ATOM 95 NE ARG A 6 -16.725 8.096 -12.889 1.00 0.00 N ATOM 96 CZ ARG A 6 -17.581 9.114 -12.954 1.00 0.00 C ATOM 97 NH1 ARG A 6 -17.557 10.065 -12.027 1.00 0.00 N ATOM 98 NH2 ARG A 6 -18.470 9.180 -13.937 1.00 0.00 N ATOM 0 H ARG A 6 -13.895 4.552 -10.941 1.00 0.00 H new ATOM 0 HA ARG A 6 -13.167 7.356 -10.800 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -15.235 5.674 -9.304 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.136 7.424 -9.265 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -15.673 5.801 -11.775 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -16.921 6.517 -10.774 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -15.809 8.771 -11.133 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.727 7.997 -12.274 1.00 0.00 H new ATOM 0 HE ARG A 6 -16.771 7.382 -13.616 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.882 10.016 -11.264 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -18.213 10.844 -12.078 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -18.500 8.449 -14.647 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -19.123 9.962 -13.982 1.00 0.00 H new ATOM 112 N PRO A 7 -12.430 7.558 -8.315 1.00 0.00 N ATOM 113 CA PRO A 7 -11.977 7.604 -6.932 1.00 0.00 C ATOM 114 C PRO A 7 -13.098 7.118 -6.015 1.00 0.00 C ATOM 115 O PRO A 7 -13.955 7.895 -5.586 1.00 0.00 O ATOM 116 CB PRO A 7 -11.667 9.088 -6.683 1.00 0.00 C ATOM 117 CG PRO A 7 -11.623 9.717 -8.037 1.00 0.00 C ATOM 118 CD PRO A 7 -12.543 8.900 -8.901 1.00 0.00 C ATOM 0 HA PRO A 7 -11.111 6.971 -6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.433 9.550 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.717 9.209 -6.163 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.947 10.757 -7.995 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.609 9.715 -8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.567 9.272 -8.867 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.234 8.913 -9.946 1.00 0.00 H new ATOM 126 N MET A 8 -13.110 5.814 -5.788 1.00 0.00 N ATOM 127 CA MET A 8 -14.171 5.146 -5.045 1.00 0.00 C ATOM 128 C MET A 8 -14.127 5.532 -3.568 1.00 0.00 C ATOM 129 O MET A 8 -13.219 6.232 -3.129 1.00 0.00 O ATOM 130 CB MET A 8 -14.036 3.629 -5.215 1.00 0.00 C ATOM 131 CG MET A 8 -15.301 2.859 -4.878 1.00 0.00 C ATOM 132 SD MET A 8 -16.697 3.346 -5.910 1.00 0.00 S ATOM 133 CE MET A 8 -17.983 2.274 -5.270 1.00 0.00 C ATOM 0 H MET A 8 -12.379 5.183 -6.116 1.00 0.00 H new ATOM 0 HA MET A 8 -15.136 5.464 -5.440 1.00 0.00 H new ATOM 0 HB2 MET A 8 -13.753 3.412 -6.245 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.225 3.272 -4.580 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.117 1.792 -5.000 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.553 3.021 -3.830 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.925 2.821 -5.228 1.00 0.00 H new ATOM 0 HE2 MET A 8 -18.094 1.409 -5.924 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.713 1.939 -4.268 1.00 0.00 H new ATOM 143 N ASN A 9 -15.148 5.135 -2.822 1.00 0.00 N ATOM 144 CA ASN A 9 -15.162 5.343 -1.384 1.00 0.00 C ATOM 145 C ASN A 9 -13.972 4.644 -0.726 1.00 0.00 C ATOM 146 O ASN A 9 -13.497 3.606 -1.202 1.00 0.00 O ATOM 147 CB ASN A 9 -16.483 4.858 -0.776 1.00 0.00 C ATOM 148 CG ASN A 9 -16.739 3.381 -0.996 1.00 0.00 C ATOM 149 OD1 ASN A 9 -17.273 2.978 -2.027 1.00 0.00 O ATOM 150 ND2 ASN A 9 -16.395 2.575 -0.015 1.00 0.00 N ATOM 0 H ASN A 9 -15.976 4.667 -3.190 1.00 0.00 H new ATOM 0 HA ASN A 9 -15.076 6.413 -1.194 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -16.479 5.063 0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -17.305 5.430 -1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.569 1.573 -0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.954 2.952 0.824 1.00 0.00 H new ATOM 157 N ALA A 10 -13.528 5.224 0.382 1.00 0.00 N ATOM 158 CA ALA A 10 -12.302 4.840 1.075 1.00 0.00 C ATOM 159 C ALA A 10 -12.094 3.327 1.259 1.00 0.00 C ATOM 160 O ALA A 10 -10.978 2.854 1.081 1.00 0.00 O ATOM 161 CB ALA A 10 -12.280 5.523 2.431 1.00 0.00 C ATOM 0 H ALA A 10 -14.021 5.993 0.835 1.00 0.00 H new ATOM 0 HA ALA A 10 -11.481 5.162 0.435 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.370 5.247 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.306 6.604 2.294 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -13.148 5.209 3.011 1.00 0.00 H new ATOM 167 N PHE A 11 -13.130 2.566 1.614 1.00 0.00 N ATOM 168 CA PHE A 11 -12.943 1.136 1.908 1.00 0.00 C ATOM 169 C PHE A 11 -12.401 0.369 0.699 1.00 0.00 C ATOM 170 O PHE A 11 -11.399 -0.352 0.800 1.00 0.00 O ATOM 171 CB PHE A 11 -14.251 0.491 2.380 1.00 0.00 C ATOM 172 CG PHE A 11 -14.082 -0.943 2.810 1.00 0.00 C ATOM 173 CD1 PHE A 11 -13.244 -1.263 3.862 1.00 0.00 C ATOM 174 CD2 PHE A 11 -14.753 -1.967 2.159 1.00 0.00 C ATOM 175 CE1 PHE A 11 -13.074 -2.573 4.262 1.00 0.00 C ATOM 176 CE2 PHE A 11 -14.589 -3.283 2.554 1.00 0.00 C ATOM 177 CZ PHE A 11 -13.747 -3.585 3.610 1.00 0.00 C ATOM 0 H PHE A 11 -14.089 2.902 1.705 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.207 1.077 2.709 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.654 1.068 3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.984 0.538 1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.714 -0.476 4.379 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.411 -1.735 1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.414 -2.805 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.117 -4.072 2.040 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.617 -4.611 3.923 1.00 0.00 H new ATOM 187 N MET A 12 -13.045 0.543 -0.448 1.00 0.00 N ATOM 188 CA MET A 12 -12.610 -0.134 -1.661 1.00 0.00 C ATOM 189 C MET A 12 -11.259 0.411 -2.086 1.00 0.00 C ATOM 190 O MET A 12 -10.382 -0.329 -2.536 1.00 0.00 O ATOM 191 CB MET A 12 -13.638 0.040 -2.781 1.00 0.00 C ATOM 192 CG MET A 12 -14.971 -0.629 -2.486 1.00 0.00 C ATOM 193 SD MET A 12 -16.160 -0.448 -3.830 1.00 0.00 S ATOM 194 CE MET A 12 -15.306 -1.280 -5.168 1.00 0.00 C ATOM 0 H MET A 12 -13.863 1.142 -0.563 1.00 0.00 H new ATOM 0 HA MET A 12 -12.519 -1.201 -1.458 1.00 0.00 H new ATOM 0 HB2 MET A 12 -13.803 1.104 -2.950 1.00 0.00 H new ATOM 0 HB3 MET A 12 -13.231 -0.370 -3.705 1.00 0.00 H new ATOM 0 HG2 MET A 12 -14.805 -1.689 -2.295 1.00 0.00 H new ATOM 0 HG3 MET A 12 -15.392 -0.203 -1.575 1.00 0.00 H new ATOM 0 HE1 MET A 12 -16.027 -1.580 -5.929 1.00 0.00 H new ATOM 0 HE2 MET A 12 -14.574 -0.603 -5.609 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.797 -2.163 -4.782 1.00 0.00 H new ATOM 204 N VAL A 13 -11.094 1.714 -1.900 1.00 0.00 N ATOM 205 CA VAL A 13 -9.841 2.384 -2.177 1.00 0.00 C ATOM 206 C VAL A 13 -8.718 1.751 -1.407 1.00 0.00 C ATOM 207 O VAL A 13 -7.705 1.402 -1.973 1.00 0.00 O ATOM 208 CB VAL A 13 -9.882 3.868 -1.793 1.00 0.00 C ATOM 209 CG1 VAL A 13 -8.509 4.486 -1.968 1.00 0.00 C ATOM 210 CG2 VAL A 13 -10.896 4.600 -2.636 1.00 0.00 C ATOM 0 H VAL A 13 -11.828 2.332 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.679 2.290 -3.251 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.176 3.953 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.547 5.540 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.793 3.970 -1.328 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.198 4.393 -3.009 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.914 5.652 -2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.625 4.513 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -11.883 4.165 -2.478 1.00 0.00 H new ATOM 220 N TRP A 14 -8.906 1.602 -0.114 1.00 0.00 N ATOM 221 CA TRP A 14 -7.858 1.089 0.734 1.00 0.00 C ATOM 222 C TRP A 14 -7.476 -0.320 0.309 1.00 0.00 C ATOM 223 O TRP A 14 -6.345 -0.740 0.493 1.00 0.00 O ATOM 224 CB TRP A 14 -8.274 1.120 2.197 1.00 0.00 C ATOM 225 CG TRP A 14 -7.107 1.285 3.114 1.00 0.00 C ATOM 226 CD1 TRP A 14 -6.051 2.133 2.945 1.00 0.00 C ATOM 227 CD2 TRP A 14 -6.882 0.608 4.350 1.00 0.00 C ATOM 228 NE1 TRP A 14 -5.172 2.003 3.987 1.00 0.00 N ATOM 229 CE2 TRP A 14 -5.659 1.072 4.861 1.00 0.00 C ATOM 230 CE3 TRP A 14 -7.591 -0.352 5.066 1.00 0.00 C ATOM 231 CZ2 TRP A 14 -5.131 0.608 6.058 1.00 0.00 C ATOM 232 CZ3 TRP A 14 -7.066 -0.812 6.253 1.00 0.00 C ATOM 233 CH2 TRP A 14 -5.846 -0.331 6.737 1.00 0.00 C ATOM 0 H TRP A 14 -9.774 1.829 0.371 1.00 0.00 H new ATOM 0 HA TRP A 14 -6.984 1.731 0.624 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -8.976 1.938 2.356 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.799 0.197 2.443 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -5.927 2.808 2.111 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.297 2.517 4.093 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -8.534 -0.729 4.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.189 0.978 6.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -7.606 -1.557 6.819 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -5.462 -0.713 7.671 1.00 0.00 H new ATOM 244 N SER A 15 -8.411 -1.048 -0.280 1.00 0.00 N ATOM 245 CA SER A 15 -8.077 -2.361 -0.791 1.00 0.00 C ATOM 246 C SER A 15 -7.032 -2.246 -1.906 1.00 0.00 C ATOM 247 O SER A 15 -5.916 -2.765 -1.787 1.00 0.00 O ATOM 248 CB SER A 15 -9.337 -3.071 -1.287 1.00 0.00 C ATOM 249 OG SER A 15 -10.284 -3.216 -0.235 1.00 0.00 O ATOM 0 H SER A 15 -9.381 -0.760 -0.413 1.00 0.00 H new ATOM 0 HA SER A 15 -7.648 -2.957 0.014 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.780 -2.504 -2.106 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.075 -4.052 -1.684 1.00 0.00 H new ATOM 0 HG SER A 15 -10.594 -2.331 0.050 1.00 0.00 H new ATOM 255 N ARG A 16 -7.362 -1.502 -2.958 1.00 0.00 N ATOM 256 CA ARG A 16 -6.481 -1.415 -4.123 1.00 0.00 C ATOM 257 C ARG A 16 -5.307 -0.461 -3.889 1.00 0.00 C ATOM 258 O ARG A 16 -4.171 -0.764 -4.245 1.00 0.00 O ATOM 259 CB ARG A 16 -7.267 -0.984 -5.364 1.00 0.00 C ATOM 260 CG ARG A 16 -8.294 -2.008 -5.821 1.00 0.00 C ATOM 261 CD ARG A 16 -8.892 -1.627 -7.166 1.00 0.00 C ATOM 262 NE ARG A 16 -9.842 -2.626 -7.657 1.00 0.00 N ATOM 263 CZ ARG A 16 -9.860 -3.080 -8.913 1.00 0.00 C ATOM 264 NH1 ARG A 16 -8.923 -2.701 -9.775 1.00 0.00 N ATOM 265 NH2 ARG A 16 -10.796 -3.934 -9.299 1.00 0.00 N ATOM 0 H ARG A 16 -8.221 -0.957 -3.030 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.070 -2.411 -4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.774 -0.042 -5.154 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.568 -0.794 -6.179 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -7.825 -2.989 -5.894 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.087 -2.088 -5.077 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.395 -0.664 -7.077 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.091 -1.502 -7.895 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.530 -2.997 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.186 -2.061 -9.479 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.940 -3.050 -10.733 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.506 -4.247 -8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.807 -4.279 -10.259 1.00 0.00 H new ATOM 279 N GLY A 17 -5.598 0.678 -3.286 1.00 0.00 N ATOM 280 CA GLY A 17 -4.613 1.724 -3.088 1.00 0.00 C ATOM 281 C GLY A 17 -3.601 1.404 -2.007 1.00 0.00 C ATOM 282 O GLY A 17 -2.406 1.641 -2.193 1.00 0.00 O ATOM 0 H GLY A 17 -6.523 0.903 -2.920 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.087 1.899 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.126 2.651 -2.832 1.00 0.00 H new ATOM 286 N GLN A 18 -4.060 0.867 -0.877 1.00 0.00 N ATOM 287 CA GLN A 18 -3.140 0.470 0.179 1.00 0.00 C ATOM 288 C GLN A 18 -2.287 -0.676 -0.327 1.00 0.00 C ATOM 289 O GLN A 18 -1.099 -0.737 -0.040 1.00 0.00 O ATOM 290 CB GLN A 18 -3.880 0.074 1.464 1.00 0.00 C ATOM 291 CG GLN A 18 -2.978 -0.268 2.645 1.00 0.00 C ATOM 292 CD GLN A 18 -2.052 0.869 3.031 1.00 0.00 C ATOM 293 OE1 GLN A 18 -2.394 2.042 2.886 1.00 0.00 O ATOM 294 NE2 GLN A 18 -0.871 0.528 3.521 1.00 0.00 N ATOM 0 H GLN A 18 -5.046 0.700 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 18 -2.508 1.320 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.539 0.893 1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.515 -0.785 1.250 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.596 -0.533 3.503 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.382 -1.147 2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.627 -0.457 3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.205 1.250 3.795 1.00 0.00 H new ATOM 303 N ARG A 19 -2.888 -1.572 -1.113 1.00 0.00 N ATOM 304 CA ARG A 19 -2.115 -2.622 -1.751 1.00 0.00 C ATOM 305 C ARG A 19 -1.102 -2.011 -2.722 1.00 0.00 C ATOM 306 O ARG A 19 0.018 -2.492 -2.835 1.00 0.00 O ATOM 307 CB ARG A 19 -3.020 -3.616 -2.482 1.00 0.00 C ATOM 308 CG ARG A 19 -2.274 -4.842 -2.988 1.00 0.00 C ATOM 309 CD ARG A 19 -3.224 -5.926 -3.474 1.00 0.00 C ATOM 310 NE ARG A 19 -3.917 -5.560 -4.711 1.00 0.00 N ATOM 311 CZ ARG A 19 -4.763 -6.370 -5.354 1.00 0.00 C ATOM 312 NH1 ARG A 19 -5.037 -7.573 -4.865 1.00 0.00 N ATOM 313 NH2 ARG A 19 -5.333 -5.982 -6.490 1.00 0.00 N ATOM 0 H ARG A 19 -3.887 -1.587 -1.316 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.581 -3.169 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.817 -3.935 -1.810 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.495 -3.114 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.609 -4.552 -3.801 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.647 -5.240 -2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.665 -6.847 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.961 -6.132 -2.697 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.744 -4.635 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.601 -7.882 -3.996 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.683 -8.189 -5.358 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.126 -5.061 -6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.978 -6.605 -6.976 1.00 0.00 H new ATOM 327 N ARG A 20 -1.496 -0.935 -3.407 1.00 0.00 N ATOM 328 CA ARG A 20 -0.600 -0.258 -4.345 1.00 0.00 C ATOM 329 C ARG A 20 0.609 0.345 -3.629 1.00 0.00 C ATOM 330 O ARG A 20 1.745 -0.025 -3.921 1.00 0.00 O ATOM 331 CB ARG A 20 -1.340 0.841 -5.118 1.00 0.00 C ATOM 332 CG ARG A 20 -1.805 0.441 -6.516 1.00 0.00 C ATOM 333 CD ARG A 20 -0.629 0.166 -7.445 1.00 0.00 C ATOM 334 NE ARG A 20 -0.984 0.326 -8.860 1.00 0.00 N ATOM 335 CZ ARG A 20 -0.269 -0.170 -9.876 1.00 0.00 C ATOM 336 NH1 ARG A 20 0.765 -0.970 -9.640 1.00 0.00 N ATOM 337 NH2 ARG A 20 -0.606 0.111 -11.131 1.00 0.00 N ATOM 0 H ARG A 20 -2.423 -0.517 -3.330 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.246 -1.012 -5.049 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.208 1.152 -4.537 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.686 1.709 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.432 -0.448 -6.450 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.422 1.236 -6.935 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.190 0.842 -7.200 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.266 -0.848 -7.277 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.831 0.849 -9.083 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.017 -1.209 -8.681 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.307 -1.346 -10.418 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.412 0.706 -11.322 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.059 -0.269 -11.903 1.00 0.00 H new ATOM 351 N LYS A 21 0.378 1.262 -2.687 1.00 0.00 N ATOM 352 CA LYS A 21 1.491 1.871 -1.955 1.00 0.00 C ATOM 353 C LYS A 21 2.321 0.827 -1.185 1.00 0.00 C ATOM 354 O LYS A 21 3.549 0.881 -1.190 1.00 0.00 O ATOM 355 CB LYS A 21 0.976 2.955 -1.006 1.00 0.00 C ATOM 356 CG LYS A 21 0.146 2.430 0.155 1.00 0.00 C ATOM 357 CD LYS A 21 -0.481 3.563 0.947 1.00 0.00 C ATOM 358 CE LYS A 21 0.539 4.622 1.333 1.00 0.00 C ATOM 359 NZ LYS A 21 -0.085 5.739 2.087 1.00 0.00 N ATOM 0 H LYS A 21 -0.548 1.594 -2.417 1.00 0.00 H new ATOM 0 HA LYS A 21 2.152 2.328 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.827 3.507 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.375 3.664 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.637 1.773 -0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.776 1.830 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.274 4.022 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.945 3.162 1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.323 4.168 1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.016 5.012 0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.239 6.646 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.120 5.677 2.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.189 5.677 3.088 1.00 0.00 H new ATOM 373 N MET A 22 1.649 -0.133 -0.557 1.00 0.00 N ATOM 374 CA MET A 22 2.315 -1.134 0.275 1.00 0.00 C ATOM 375 C MET A 22 3.149 -2.105 -0.558 1.00 0.00 C ATOM 376 O MET A 22 4.253 -2.463 -0.161 1.00 0.00 O ATOM 377 CB MET A 22 1.274 -1.893 1.100 1.00 0.00 C ATOM 378 CG MET A 22 1.849 -2.929 2.050 1.00 0.00 C ATOM 379 SD MET A 22 0.619 -3.538 3.220 1.00 0.00 S ATOM 380 CE MET A 22 -0.671 -4.086 2.104 1.00 0.00 C ATOM 0 H MET A 22 0.636 -0.240 -0.608 1.00 0.00 H new ATOM 0 HA MET A 22 3.001 -0.614 0.944 1.00 0.00 H new ATOM 0 HB2 MET A 22 0.693 -1.174 1.677 1.00 0.00 H new ATOM 0 HB3 MET A 22 0.582 -2.389 0.419 1.00 0.00 H new ATOM 0 HG2 MET A 22 2.247 -3.765 1.475 1.00 0.00 H new ATOM 0 HG3 MET A 22 2.684 -2.493 2.598 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.438 -4.617 2.668 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.116 -3.222 1.610 1.00 0.00 H new ATOM 0 HE3 MET A 22 -0.245 -4.753 1.355 1.00 0.00 H new ATOM 390 N ALA A 23 2.640 -2.518 -1.715 1.00 0.00 N ATOM 391 CA ALA A 23 3.367 -3.458 -2.566 1.00 0.00 C ATOM 392 C ALA A 23 4.579 -2.793 -3.205 1.00 0.00 C ATOM 393 O ALA A 23 5.549 -3.458 -3.560 1.00 0.00 O ATOM 394 CB ALA A 23 2.458 -4.034 -3.638 1.00 0.00 C ATOM 0 H ALA A 23 1.736 -2.221 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 23 3.716 -4.274 -1.933 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.023 -4.730 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.627 -4.559 -3.167 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.071 -3.226 -4.260 1.00 0.00 H new ATOM 400 N GLN A 24 4.515 -1.478 -3.360 1.00 0.00 N ATOM 401 CA GLN A 24 5.637 -0.724 -3.903 1.00 0.00 C ATOM 402 C GLN A 24 6.689 -0.469 -2.829 1.00 0.00 C ATOM 403 O GLN A 24 7.863 -0.271 -3.132 1.00 0.00 O ATOM 404 CB GLN A 24 5.153 0.603 -4.494 1.00 0.00 C ATOM 405 CG GLN A 24 4.933 0.569 -6.002 1.00 0.00 C ATOM 406 CD GLN A 24 4.036 -0.571 -6.454 1.00 0.00 C ATOM 407 OE1 GLN A 24 4.505 -1.665 -6.760 1.00 0.00 O ATOM 408 NE2 GLN A 24 2.740 -0.321 -6.499 1.00 0.00 N ATOM 0 H GLN A 24 3.701 -0.912 -3.119 1.00 0.00 H new ATOM 0 HA GLN A 24 6.092 -1.317 -4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.219 0.886 -4.008 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.882 1.379 -4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.494 1.515 -6.319 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.898 0.482 -6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.389 0.600 -6.237 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.090 -1.049 -6.796 1.00 0.00 H new ATOM 417 N GLU A 25 6.266 -0.485 -1.578 1.00 0.00 N ATOM 418 CA GLU A 25 7.168 -0.221 -0.468 1.00 0.00 C ATOM 419 C GLU A 25 7.718 -1.516 0.130 1.00 0.00 C ATOM 420 O GLU A 25 8.927 -1.658 0.320 1.00 0.00 O ATOM 421 CB GLU A 25 6.454 0.595 0.611 1.00 0.00 C ATOM 422 CG GLU A 25 6.172 2.031 0.202 1.00 0.00 C ATOM 423 CD GLU A 25 5.731 2.892 1.368 1.00 0.00 C ATOM 424 OE1 GLU A 25 4.534 2.863 1.719 1.00 0.00 O ATOM 425 OE2 GLU A 25 6.584 3.607 1.940 1.00 0.00 O ATOM 0 H GLU A 25 5.303 -0.678 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 25 8.010 0.353 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.513 0.106 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.062 0.597 1.515 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.069 2.461 -0.244 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.398 2.041 -0.566 1.00 0.00 H new ATOM 432 N ASN A 26 6.831 -2.456 0.415 1.00 0.00 N ATOM 433 CA ASN A 26 7.204 -3.700 1.088 1.00 0.00 C ATOM 434 C ASN A 26 6.280 -4.848 0.676 1.00 0.00 C ATOM 435 O ASN A 26 5.283 -5.133 1.346 1.00 0.00 O ATOM 436 CB ASN A 26 7.173 -3.519 2.616 1.00 0.00 C ATOM 437 CG ASN A 26 6.136 -2.500 3.064 1.00 0.00 C ATOM 438 OD1 ASN A 26 6.450 -1.327 3.271 1.00 0.00 O ATOM 439 ND2 ASN A 26 4.893 -2.927 3.191 1.00 0.00 N ATOM 0 H ASN A 26 5.839 -2.384 0.190 1.00 0.00 H new ATOM 0 HA ASN A 26 8.220 -3.952 0.783 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.961 -4.479 3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.158 -3.205 2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.157 -2.278 3.469 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.669 -3.906 3.011 1.00 0.00 H new ATOM 446 N PRO A 27 6.592 -5.513 -0.447 1.00 0.00 N ATOM 447 CA PRO A 27 5.772 -6.591 -0.975 1.00 0.00 C ATOM 448 C PRO A 27 6.154 -7.964 -0.422 1.00 0.00 C ATOM 449 O PRO A 27 6.843 -8.744 -1.081 1.00 0.00 O ATOM 450 CB PRO A 27 6.049 -6.514 -2.475 1.00 0.00 C ATOM 451 CG PRO A 27 7.450 -5.998 -2.585 1.00 0.00 C ATOM 452 CD PRO A 27 7.760 -5.253 -1.305 1.00 0.00 C ATOM 0 HA PRO A 27 4.722 -6.479 -0.704 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.951 -7.493 -2.945 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.343 -5.849 -2.973 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.151 -6.820 -2.730 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.549 -5.338 -3.447 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.680 -5.615 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 27 7.892 -4.186 -1.486 1.00 0.00 H new ATOM 460 N LYS A 28 5.741 -8.241 0.807 1.00 0.00 N ATOM 461 CA LYS A 28 5.910 -9.574 1.374 1.00 0.00 C ATOM 462 C LYS A 28 4.570 -10.308 1.360 1.00 0.00 C ATOM 463 O LYS A 28 4.510 -11.529 1.222 1.00 0.00 O ATOM 464 CB LYS A 28 6.456 -9.473 2.809 1.00 0.00 C ATOM 465 CG LYS A 28 7.028 -10.772 3.380 1.00 0.00 C ATOM 466 CD LYS A 28 5.947 -11.767 3.780 1.00 0.00 C ATOM 467 CE LYS A 28 6.549 -13.041 4.348 1.00 0.00 C ATOM 468 NZ LYS A 28 5.512 -14.067 4.640 1.00 0.00 N ATOM 0 H LYS A 28 5.290 -7.568 1.427 1.00 0.00 H new ATOM 0 HA LYS A 28 6.626 -10.135 0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.235 -8.711 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.654 -9.129 3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.683 -11.232 2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.643 -10.541 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.288 -11.313 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.333 -12.008 2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.271 -13.447 3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.095 -12.808 5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.966 -14.920 5.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.837 -13.690 5.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.007 -14.310 3.764 1.00 0.00 H new ATOM 482 N MET A 29 3.496 -9.543 1.453 1.00 0.00 N ATOM 483 CA MET A 29 2.160 -10.110 1.539 1.00 0.00 C ATOM 484 C MET A 29 1.459 -10.034 0.191 1.00 0.00 C ATOM 485 O MET A 29 1.681 -9.094 -0.574 1.00 0.00 O ATOM 486 CB MET A 29 1.353 -9.387 2.619 1.00 0.00 C ATOM 487 CG MET A 29 1.276 -7.877 2.445 1.00 0.00 C ATOM 488 SD MET A 29 0.511 -7.059 3.861 1.00 0.00 S ATOM 489 CE MET A 29 1.677 -7.470 5.156 1.00 0.00 C ATOM 0 H MET A 29 3.523 -8.524 1.471 1.00 0.00 H new ATOM 0 HA MET A 29 2.240 -11.162 1.815 1.00 0.00 H new ATOM 0 HB2 MET A 29 0.341 -9.791 2.630 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.794 -9.606 3.592 1.00 0.00 H new ATOM 0 HG2 MET A 29 2.280 -7.479 2.298 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.707 -7.646 1.544 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.634 -6.712 5.938 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.424 -8.443 5.578 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.684 -7.506 4.741 1.00 0.00 H new ATOM 499 N HIS A 30 0.620 -11.023 -0.100 1.00 0.00 N ATOM 500 CA HIS A 30 -0.014 -11.112 -1.409 1.00 0.00 C ATOM 501 C HIS A 30 -1.508 -10.804 -1.318 1.00 0.00 C ATOM 502 O HIS A 30 -1.975 -9.820 -1.894 1.00 0.00 O ATOM 503 CB HIS A 30 0.213 -12.503 -2.014 1.00 0.00 C ATOM 504 CG HIS A 30 0.066 -12.551 -3.504 1.00 0.00 C ATOM 505 ND1 HIS A 30 0.713 -13.480 -4.289 1.00 0.00 N ATOM 506 CD2 HIS A 30 -0.659 -11.785 -4.354 1.00 0.00 C ATOM 507 CE1 HIS A 30 0.390 -13.285 -5.554 1.00 0.00 C ATOM 508 NE2 HIS A 30 -0.439 -12.263 -5.620 1.00 0.00 N ATOM 0 H HIS A 30 0.365 -11.768 0.548 1.00 0.00 H new ATOM 0 HA HIS A 30 0.442 -10.367 -2.061 1.00 0.00 H new ATOM 0 HB2 HIS A 30 1.213 -12.845 -1.747 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.494 -13.202 -1.567 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.292 -10.953 -4.085 1.00 0.00 H new ATOM 0 HE1 HIS A 30 0.745 -13.865 -6.393 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -0.851 -11.888 -6.475 1.00 0.00 H new ATOM 517 N ASN A 31 -2.260 -11.643 -0.612 1.00 0.00 N ATOM 518 CA ASN A 31 -3.699 -11.437 -0.479 1.00 0.00 C ATOM 519 C ASN A 31 -4.155 -11.616 0.962 1.00 0.00 C ATOM 520 O ASN A 31 -4.832 -10.752 1.523 1.00 0.00 O ATOM 521 CB ASN A 31 -4.499 -12.406 -1.360 1.00 0.00 C ATOM 522 CG ASN A 31 -4.115 -12.345 -2.822 1.00 0.00 C ATOM 523 OD1 ASN A 31 -4.551 -11.460 -3.558 1.00 0.00 O ATOM 524 ND2 ASN A 31 -3.331 -13.314 -3.269 1.00 0.00 N ATOM 0 H ASN A 31 -1.901 -12.465 -0.127 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.889 -10.414 -0.803 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.352 -13.423 -0.995 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.561 -12.183 -1.261 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.069 -13.344 -4.254 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.989 -14.030 -2.628 1.00 0.00 H new ATOM 531 N SER A 32 -3.778 -12.744 1.557 1.00 0.00 N ATOM 532 CA SER A 32 -4.302 -13.137 2.858 1.00 0.00 C ATOM 533 C SER A 32 -3.947 -12.128 3.944 1.00 0.00 C ATOM 534 O SER A 32 -4.817 -11.656 4.671 1.00 0.00 O ATOM 535 CB SER A 32 -3.763 -14.517 3.234 1.00 0.00 C ATOM 536 OG SER A 32 -3.989 -15.451 2.188 1.00 0.00 O ATOM 0 H SER A 32 -3.110 -13.402 1.156 1.00 0.00 H new ATOM 0 HA SER A 32 -5.389 -13.170 2.783 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.695 -14.450 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.246 -14.864 4.148 1.00 0.00 H new ATOM 0 HG SER A 32 -3.635 -16.327 2.449 1.00 0.00 H new ATOM 542 N GLU A 33 -2.681 -11.756 4.016 1.00 0.00 N ATOM 543 CA GLU A 33 -2.213 -10.877 5.074 1.00 0.00 C ATOM 544 C GLU A 33 -2.866 -9.512 4.941 1.00 0.00 C ATOM 545 O GLU A 33 -3.325 -8.928 5.925 1.00 0.00 O ATOM 546 CB GLU A 33 -0.689 -10.744 5.042 1.00 0.00 C ATOM 547 CG GLU A 33 0.042 -12.077 4.987 1.00 0.00 C ATOM 548 CD GLU A 33 0.382 -12.513 3.572 1.00 0.00 C ATOM 549 OE1 GLU A 33 -0.524 -12.543 2.714 1.00 0.00 O ATOM 550 OE2 GLU A 33 1.567 -12.808 3.308 1.00 0.00 O ATOM 0 H GLU A 33 -1.960 -12.048 3.356 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.493 -11.313 6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.404 -10.148 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.363 -10.197 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.961 -12.005 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.575 -12.842 5.458 1.00 0.00 H new ATOM 557 N ILE A 34 -2.933 -9.035 3.704 1.00 0.00 N ATOM 558 CA ILE A 34 -3.548 -7.750 3.409 1.00 0.00 C ATOM 559 C ILE A 34 -5.000 -7.735 3.870 1.00 0.00 C ATOM 560 O ILE A 34 -5.472 -6.749 4.431 1.00 0.00 O ATOM 561 CB ILE A 34 -3.486 -7.421 1.897 1.00 0.00 C ATOM 562 CG1 ILE A 34 -2.040 -7.491 1.400 1.00 0.00 C ATOM 563 CG2 ILE A 34 -4.077 -6.044 1.625 1.00 0.00 C ATOM 564 CD1 ILE A 34 -1.877 -7.169 -0.070 1.00 0.00 C ATOM 0 H ILE A 34 -2.567 -9.523 2.887 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.984 -6.990 3.950 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.077 -8.160 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.433 -6.798 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.650 -8.492 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.025 -5.830 0.557 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.118 -6.024 1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.512 -5.291 2.174 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.824 -7.241 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.455 -7.877 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.234 -6.157 -0.263 1.00 0.00 H new ATOM 576 N SER A 35 -5.699 -8.847 3.684 1.00 0.00 N ATOM 577 CA SER A 35 -7.111 -8.893 4.029 1.00 0.00 C ATOM 578 C SER A 35 -7.301 -8.954 5.544 1.00 0.00 C ATOM 579 O SER A 35 -8.288 -8.433 6.075 1.00 0.00 O ATOM 580 CB SER A 35 -7.819 -10.053 3.317 1.00 0.00 C ATOM 581 OG SER A 35 -6.987 -11.195 3.215 1.00 0.00 O ATOM 0 H SER A 35 -5.319 -9.714 3.303 1.00 0.00 H new ATOM 0 HA SER A 35 -7.575 -7.971 3.679 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.727 -10.313 3.861 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.124 -9.735 2.320 1.00 0.00 H new ATOM 0 HG SER A 35 -6.428 -11.265 4.017 1.00 0.00 H new ATOM 587 N LYS A 36 -6.335 -9.552 6.241 1.00 0.00 N ATOM 588 CA LYS A 36 -6.415 -9.686 7.693 1.00 0.00 C ATOM 589 C LYS A 36 -6.298 -8.318 8.356 1.00 0.00 C ATOM 590 O LYS A 36 -7.122 -7.947 9.195 1.00 0.00 O ATOM 591 CB LYS A 36 -5.309 -10.611 8.222 1.00 0.00 C ATOM 592 CG LYS A 36 -5.324 -12.007 7.622 1.00 0.00 C ATOM 593 CD LYS A 36 -6.616 -12.744 7.925 1.00 0.00 C ATOM 594 CE LYS A 36 -6.620 -14.124 7.290 1.00 0.00 C ATOM 595 NZ LYS A 36 -7.840 -14.894 7.636 1.00 0.00 N ATOM 0 H LYS A 36 -5.493 -9.949 5.825 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.382 -10.125 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.341 -10.152 8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.406 -10.692 9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.191 -11.939 6.542 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.481 -12.578 8.012 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.741 -12.836 9.004 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.463 -12.167 7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.550 -14.024 6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.739 -14.676 7.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.801 -15.829 7.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.895 -15.012 8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.681 -14.381 7.301 1.00 0.00 H new ATOM 609 N ARG A 37 -5.274 -7.569 7.957 1.00 0.00 N ATOM 610 CA ARG A 37 -5.022 -6.255 8.531 1.00 0.00 C ATOM 611 C ARG A 37 -6.168 -5.303 8.224 1.00 0.00 C ATOM 612 O ARG A 37 -6.745 -4.705 9.126 1.00 0.00 O ATOM 613 CB ARG A 37 -3.721 -5.650 7.999 1.00 0.00 C ATOM 614 CG ARG A 37 -2.476 -6.469 8.297 1.00 0.00 C ATOM 615 CD ARG A 37 -1.214 -5.688 7.949 1.00 0.00 C ATOM 616 NE ARG A 37 -0.954 -4.601 8.901 1.00 0.00 N ATOM 617 CZ ARG A 37 -1.142 -3.304 8.643 1.00 0.00 C ATOM 618 NH1 ARG A 37 -1.597 -2.911 7.460 1.00 0.00 N ATOM 619 NH2 ARG A 37 -0.863 -2.397 9.573 1.00 0.00 N ATOM 0 H ARG A 37 -4.607 -7.851 7.239 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.935 -6.391 9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.808 -5.525 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.597 -4.655 8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.460 -6.742 9.352 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.502 -7.398 7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.361 -6.367 7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.310 -5.274 6.945 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.605 -4.854 9.825 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.806 -3.601 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.738 -1.918 7.272 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.506 -2.692 10.482 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.006 -1.406 9.378 1.00 0.00 H new ATOM 633 N LEU A 38 -6.503 -5.191 6.945 1.00 0.00 N ATOM 634 CA LEU A 38 -7.474 -4.200 6.486 1.00 0.00 C ATOM 635 C LEU A 38 -8.832 -4.369 7.164 1.00 0.00 C ATOM 636 O LEU A 38 -9.477 -3.382 7.524 1.00 0.00 O ATOM 637 CB LEU A 38 -7.622 -4.255 4.962 1.00 0.00 C ATOM 638 CG LEU A 38 -6.654 -3.356 4.177 1.00 0.00 C ATOM 639 CD1 LEU A 38 -5.201 -3.721 4.453 1.00 0.00 C ATOM 640 CD2 LEU A 38 -6.950 -3.434 2.687 1.00 0.00 C ATOM 0 H LEU A 38 -6.117 -5.775 6.203 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.092 -3.219 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.480 -5.286 4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.643 -3.976 4.702 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.805 -2.330 4.514 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.546 -3.064 3.881 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.992 -3.605 5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.024 -4.756 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.256 -2.792 2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.834 -4.463 2.346 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.972 -3.103 2.501 1.00 0.00 H new ATOM 652 N GLY A 39 -9.256 -5.612 7.352 1.00 0.00 N ATOM 653 CA GLY A 39 -10.517 -5.871 8.022 1.00 0.00 C ATOM 654 C GLY A 39 -10.481 -5.453 9.480 1.00 0.00 C ATOM 655 O GLY A 39 -11.403 -4.797 9.971 1.00 0.00 O ATOM 0 H GLY A 39 -8.750 -6.446 7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.316 -5.335 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.752 -6.933 7.955 1.00 0.00 H new ATOM 659 N ALA A 40 -9.401 -5.815 10.165 1.00 0.00 N ATOM 660 CA ALA A 40 -9.247 -5.499 11.580 1.00 0.00 C ATOM 661 C ALA A 40 -9.096 -3.996 11.797 1.00 0.00 C ATOM 662 O ALA A 40 -9.640 -3.442 12.755 1.00 0.00 O ATOM 663 CB ALA A 40 -8.052 -6.243 12.160 1.00 0.00 C ATOM 0 H ALA A 40 -8.618 -6.329 9.761 1.00 0.00 H new ATOM 0 HA ALA A 40 -10.149 -5.823 12.099 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.949 -5.998 13.217 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.203 -7.317 12.050 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.147 -5.948 11.629 1.00 0.00 H new ATOM 669 N GLU A 41 -8.367 -3.347 10.896 1.00 0.00 N ATOM 670 CA GLU A 41 -8.134 -1.910 10.991 1.00 0.00 C ATOM 671 C GLU A 41 -9.437 -1.137 10.824 1.00 0.00 C ATOM 672 O GLU A 41 -9.753 -0.259 11.625 1.00 0.00 O ATOM 673 CB GLU A 41 -7.128 -1.449 9.931 1.00 0.00 C ATOM 674 CG GLU A 41 -5.729 -2.025 10.100 1.00 0.00 C ATOM 675 CD GLU A 41 -5.077 -1.626 11.405 1.00 0.00 C ATOM 676 OE1 GLU A 41 -4.707 -0.443 11.554 1.00 0.00 O ATOM 677 OE2 GLU A 41 -4.920 -2.498 12.287 1.00 0.00 O ATOM 0 H GLU A 41 -7.927 -3.793 10.091 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.725 -1.708 11.981 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.505 -1.724 8.946 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.065 -0.361 9.956 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.781 -3.112 10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.103 -1.693 9.272 1.00 0.00 H new ATOM 684 N TRP A 42 -10.201 -1.484 9.793 1.00 0.00 N ATOM 685 CA TRP A 42 -11.428 -0.759 9.479 1.00 0.00 C ATOM 686 C TRP A 42 -12.462 -0.901 10.593 1.00 0.00 C ATOM 687 O TRP A 42 -13.227 0.028 10.857 1.00 0.00 O ATOM 688 CB TRP A 42 -12.008 -1.227 8.145 1.00 0.00 C ATOM 689 CG TRP A 42 -13.186 -0.414 7.713 1.00 0.00 C ATOM 690 CD1 TRP A 42 -14.455 -0.530 8.182 1.00 0.00 C ATOM 691 CD2 TRP A 42 -13.206 0.645 6.752 1.00 0.00 C ATOM 692 NE1 TRP A 42 -15.270 0.388 7.575 1.00 0.00 N ATOM 693 CE2 TRP A 42 -14.530 1.121 6.689 1.00 0.00 C ATOM 694 CE3 TRP A 42 -12.240 1.237 5.936 1.00 0.00 C ATOM 695 CZ2 TRP A 42 -14.910 2.159 5.845 1.00 0.00 C ATOM 696 CZ3 TRP A 42 -12.619 2.269 5.100 1.00 0.00 C ATOM 697 CH2 TRP A 42 -13.943 2.721 5.060 1.00 0.00 C ATOM 0 H TRP A 42 -9.994 -2.259 9.163 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.173 0.297 9.394 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.235 -1.175 7.379 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -12.304 -2.273 8.229 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -14.775 -1.244 8.927 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -16.267 0.506 7.755 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.216 0.894 5.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -15.932 2.508 5.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.880 2.736 4.465 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -14.206 3.531 4.395 1.00 0.00 H new ATOM 708 N LYS A 43 -12.477 -2.049 11.257 1.00 0.00 N ATOM 709 CA LYS A 43 -13.447 -2.297 12.321 1.00 0.00 C ATOM 710 C LYS A 43 -13.357 -1.258 13.437 1.00 0.00 C ATOM 711 O LYS A 43 -14.345 -0.979 14.115 1.00 0.00 O ATOM 712 CB LYS A 43 -13.274 -3.700 12.879 1.00 0.00 C ATOM 713 CG LYS A 43 -13.927 -4.753 12.007 1.00 0.00 C ATOM 714 CD LYS A 43 -13.645 -6.141 12.522 1.00 0.00 C ATOM 715 CE LYS A 43 -14.379 -7.196 11.706 1.00 0.00 C ATOM 716 NZ LYS A 43 -15.855 -7.021 11.775 1.00 0.00 N ATOM 0 H LYS A 43 -11.834 -2.821 11.081 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.441 -2.210 11.882 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.211 -3.921 12.976 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.702 -3.745 13.880 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.004 -4.586 11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.560 -4.660 10.985 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.573 -6.333 12.487 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.947 -6.211 13.567 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.055 -7.142 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.113 -8.188 12.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -16.323 -7.895 11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -16.134 -6.810 12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.141 -6.235 11.157 1.00 0.00 H new ATOM 730 N LEU A 44 -12.180 -0.677 13.621 1.00 0.00 N ATOM 731 CA LEU A 44 -11.987 0.349 14.637 1.00 0.00 C ATOM 732 C LEU A 44 -11.595 1.679 13.996 1.00 0.00 C ATOM 733 O LEU A 44 -11.070 2.566 14.669 1.00 0.00 O ATOM 734 CB LEU A 44 -10.919 -0.072 15.656 1.00 0.00 C ATOM 735 CG LEU A 44 -11.342 -1.140 16.674 1.00 0.00 C ATOM 736 CD1 LEU A 44 -11.452 -2.512 16.024 1.00 0.00 C ATOM 737 CD2 LEU A 44 -10.363 -1.172 17.838 1.00 0.00 C ATOM 0 H LEU A 44 -11.344 -0.898 13.080 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.935 0.474 15.161 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.051 -0.442 15.110 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.597 0.815 16.202 1.00 0.00 H new ATOM 0 HG LEU A 44 -12.329 -0.876 17.053 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.753 -3.246 16.772 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.196 -2.479 15.228 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.486 -2.795 15.606 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.673 -1.933 18.554 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.365 -1.407 17.468 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.348 -0.198 18.328 1.00 0.00 H new ATOM 749 N LEU A 45 -11.872 1.823 12.704 1.00 0.00 N ATOM 750 CA LEU A 45 -11.452 3.006 11.957 1.00 0.00 C ATOM 751 C LEU A 45 -12.381 4.189 12.218 1.00 0.00 C ATOM 752 O LEU A 45 -13.606 4.040 12.261 1.00 0.00 O ATOM 753 CB LEU A 45 -11.421 2.709 10.458 1.00 0.00 C ATOM 754 CG LEU A 45 -10.777 3.798 9.602 1.00 0.00 C ATOM 755 CD1 LEU A 45 -9.260 3.715 9.692 1.00 0.00 C ATOM 756 CD2 LEU A 45 -11.247 3.694 8.161 1.00 0.00 C ATOM 0 H LEU A 45 -12.385 1.136 12.152 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.451 3.268 12.298 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.882 1.775 10.298 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -12.443 2.551 10.112 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.086 4.771 9.985 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.816 4.497 9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.949 3.848 10.728 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.927 2.740 9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.777 4.478 7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.971 2.719 7.758 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.330 3.810 8.122 1.00 0.00 H new ATOM 768 N SER A 46 -11.786 5.356 12.401 1.00 0.00 N ATOM 769 CA SER A 46 -12.535 6.592 12.554 1.00 0.00 C ATOM 770 C SER A 46 -12.721 7.259 11.190 1.00 0.00 C ATOM 771 O SER A 46 -11.963 6.995 10.255 1.00 0.00 O ATOM 772 CB SER A 46 -11.784 7.527 13.500 1.00 0.00 C ATOM 773 OG SER A 46 -11.209 6.800 14.574 1.00 0.00 O ATOM 0 H SER A 46 -10.774 5.473 12.448 1.00 0.00 H new ATOM 0 HA SER A 46 -13.517 6.373 12.973 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.003 8.055 12.953 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.466 8.282 13.890 1.00 0.00 H new ATOM 0 HG SER A 46 -10.378 6.376 14.274 1.00 0.00 H new ATOM 779 N GLU A 47 -13.717 8.128 11.077 1.00 0.00 N ATOM 780 CA GLU A 47 -13.976 8.842 9.827 1.00 0.00 C ATOM 781 C GLU A 47 -12.895 9.885 9.575 1.00 0.00 C ATOM 782 O GLU A 47 -12.625 10.250 8.432 1.00 0.00 O ATOM 783 CB GLU A 47 -15.355 9.510 9.874 1.00 0.00 C ATOM 784 CG GLU A 47 -16.492 8.553 10.204 1.00 0.00 C ATOM 785 CD GLU A 47 -16.768 7.547 9.100 1.00 0.00 C ATOM 786 OE1 GLU A 47 -15.857 6.780 8.742 1.00 0.00 O ATOM 787 OE2 GLU A 47 -17.908 7.516 8.588 1.00 0.00 O ATOM 0 H GLU A 47 -14.361 8.358 11.834 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.961 8.123 9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.337 10.307 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.555 9.977 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -16.252 8.018 11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -17.398 9.128 10.397 1.00 0.00 H new ATOM 794 N THR A 48 -12.276 10.368 10.645 1.00 0.00 N ATOM 795 CA THR A 48 -11.139 11.269 10.522 1.00 0.00 C ATOM 796 C THR A 48 -9.955 10.526 9.898 1.00 0.00 C ATOM 797 O THR A 48 -9.136 11.109 9.184 1.00 0.00 O ATOM 798 CB THR A 48 -10.735 11.874 11.893 1.00 0.00 C ATOM 799 OG1 THR A 48 -9.715 12.863 11.723 1.00 0.00 O ATOM 800 CG2 THR A 48 -10.235 10.805 12.852 1.00 0.00 C ATOM 0 H THR A 48 -12.542 10.151 11.605 1.00 0.00 H new ATOM 0 HA THR A 48 -11.431 12.095 9.874 1.00 0.00 H new ATOM 0 HB THR A 48 -11.628 12.333 12.318 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.472 13.236 12.596 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.962 11.267 13.801 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.022 10.070 13.020 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.362 10.311 12.424 1.00 0.00 H new ATOM 808 N GLU A 49 -9.905 9.221 10.148 1.00 0.00 N ATOM 809 CA GLU A 49 -8.854 8.363 9.620 1.00 0.00 C ATOM 810 C GLU A 49 -9.110 8.038 8.150 1.00 0.00 C ATOM 811 O GLU A 49 -8.243 7.501 7.466 1.00 0.00 O ATOM 812 CB GLU A 49 -8.745 7.078 10.444 1.00 0.00 C ATOM 813 CG GLU A 49 -8.353 7.314 11.893 1.00 0.00 C ATOM 814 CD GLU A 49 -8.237 6.028 12.687 1.00 0.00 C ATOM 815 OE1 GLU A 49 -9.257 5.572 13.242 1.00 0.00 O ATOM 816 OE2 GLU A 49 -7.121 5.474 12.778 1.00 0.00 O ATOM 0 H GLU A 49 -10.592 8.731 10.722 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.907 8.899 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.702 6.556 10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.010 6.421 9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.400 7.843 11.925 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.093 7.961 12.364 1.00 0.00 H new ATOM 823 N LYS A 50 -10.314 8.351 7.678 1.00 0.00 N ATOM 824 CA LYS A 50 -10.688 8.118 6.283 1.00 0.00 C ATOM 825 C LYS A 50 -9.867 8.978 5.315 1.00 0.00 C ATOM 826 O LYS A 50 -9.827 8.705 4.117 1.00 0.00 O ATOM 827 CB LYS A 50 -12.171 8.417 6.067 1.00 0.00 C ATOM 828 CG LYS A 50 -13.048 7.185 5.945 1.00 0.00 C ATOM 829 CD LYS A 50 -14.401 7.554 5.365 1.00 0.00 C ATOM 830 CE LYS A 50 -15.291 6.339 5.158 1.00 0.00 C ATOM 831 NZ LYS A 50 -15.633 5.655 6.434 1.00 0.00 N ATOM 0 H LYS A 50 -11.052 8.769 8.244 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.482 7.068 6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.531 9.024 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.280 9.017 5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.562 6.446 5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.178 6.725 6.925 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.900 8.258 6.031 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -14.259 8.064 4.412 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -16.209 6.647 4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.789 5.634 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -16.607 5.294 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.978 4.863 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -15.554 6.330 7.222 1.00 0.00 H new ATOM 845 N ARG A 51 -9.214 10.011 5.842 1.00 0.00 N ATOM 846 CA ARG A 51 -8.510 10.993 5.010 1.00 0.00 C ATOM 847 C ARG A 51 -7.437 10.361 4.105 1.00 0.00 C ATOM 848 O ARG A 51 -7.477 10.558 2.891 1.00 0.00 O ATOM 849 CB ARG A 51 -7.900 12.100 5.883 1.00 0.00 C ATOM 850 CG ARG A 51 -7.083 13.129 5.110 1.00 0.00 C ATOM 851 CD ARG A 51 -7.895 13.797 4.008 1.00 0.00 C ATOM 852 NE ARG A 51 -9.111 14.426 4.517 1.00 0.00 N ATOM 853 CZ ARG A 51 -9.686 15.497 3.974 1.00 0.00 C ATOM 854 NH1 ARG A 51 -9.126 16.111 2.936 1.00 0.00 N ATOM 855 NH2 ARG A 51 -10.816 15.960 4.485 1.00 0.00 N ATOM 0 H ARG A 51 -9.156 10.193 6.844 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.256 11.429 4.345 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -8.703 12.614 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.263 11.641 6.639 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.714 13.889 5.799 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.210 12.644 4.673 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.281 14.548 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -8.161 13.055 3.255 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.549 14.018 5.343 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.249 15.762 2.549 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.574 16.931 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.240 15.497 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.263 16.780 4.075 1.00 0.00 H new ATOM 869 N PRO A 52 -6.453 9.611 4.652 1.00 0.00 N ATOM 870 CA PRO A 52 -5.394 9.016 3.831 1.00 0.00 C ATOM 871 C PRO A 52 -5.925 8.031 2.804 1.00 0.00 C ATOM 872 O PRO A 52 -5.320 7.840 1.754 1.00 0.00 O ATOM 873 CB PRO A 52 -4.482 8.310 4.840 1.00 0.00 C ATOM 874 CG PRO A 52 -5.309 8.149 6.068 1.00 0.00 C ATOM 875 CD PRO A 52 -6.263 9.311 6.081 1.00 0.00 C ATOM 0 HA PRO A 52 -4.878 9.777 3.245 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.148 7.344 4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.588 8.899 5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.848 7.202 6.054 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.685 8.147 6.961 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -7.204 9.053 6.566 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.850 10.164 6.619 1.00 0.00 H new ATOM 883 N PHE A 53 -7.069 7.430 3.102 1.00 0.00 N ATOM 884 CA PHE A 53 -7.742 6.555 2.154 1.00 0.00 C ATOM 885 C PHE A 53 -8.053 7.317 0.881 1.00 0.00 C ATOM 886 O PHE A 53 -7.950 6.794 -0.224 1.00 0.00 O ATOM 887 CB PHE A 53 -9.051 6.048 2.738 1.00 0.00 C ATOM 888 CG PHE A 53 -8.909 5.074 3.864 1.00 0.00 C ATOM 889 CD1 PHE A 53 -8.264 5.420 5.041 1.00 0.00 C ATOM 890 CD2 PHE A 53 -9.450 3.811 3.745 1.00 0.00 C ATOM 891 CE1 PHE A 53 -8.161 4.518 6.079 1.00 0.00 C ATOM 892 CE2 PHE A 53 -9.348 2.902 4.781 1.00 0.00 C ATOM 893 CZ PHE A 53 -8.703 3.256 5.949 1.00 0.00 C ATOM 0 H PHE A 53 -7.551 7.533 3.995 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.083 5.714 1.940 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.630 6.903 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.628 5.577 1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.838 6.407 5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.958 3.530 2.834 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.657 4.799 6.992 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -9.773 1.915 4.677 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.623 2.547 6.759 1.00 0.00 H new ATOM 903 N ILE A 54 -8.396 8.580 1.053 1.00 0.00 N ATOM 904 CA ILE A 54 -8.833 9.398 -0.056 1.00 0.00 C ATOM 905 C ILE A 54 -7.622 9.704 -0.947 1.00 0.00 C ATOM 906 O ILE A 54 -7.735 9.850 -2.165 1.00 0.00 O ATOM 907 CB ILE A 54 -9.495 10.707 0.439 1.00 0.00 C ATOM 908 CG1 ILE A 54 -10.684 10.385 1.360 1.00 0.00 C ATOM 909 CG2 ILE A 54 -9.945 11.569 -0.734 1.00 0.00 C ATOM 910 CD1 ILE A 54 -11.783 9.582 0.691 1.00 0.00 C ATOM 0 H ILE A 54 -8.379 9.060 1.953 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.585 8.855 -0.629 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.755 11.272 1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.320 9.832 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.106 11.319 1.732 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.407 12.482 -0.358 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.083 11.825 -1.349 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.668 11.017 -1.335 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -12.585 9.396 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.176 10.141 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.379 8.631 0.344 1.00 0.00 H new ATOM 922 N ASP A 55 -6.456 9.776 -0.304 1.00 0.00 N ATOM 923 CA ASP A 55 -5.197 10.062 -0.988 1.00 0.00 C ATOM 924 C ASP A 55 -4.751 8.880 -1.848 1.00 0.00 C ATOM 925 O ASP A 55 -4.340 9.066 -2.995 1.00 0.00 O ATOM 926 CB ASP A 55 -4.114 10.422 0.030 1.00 0.00 C ATOM 927 CG ASP A 55 -2.792 10.783 -0.616 1.00 0.00 C ATOM 928 OD1 ASP A 55 -2.648 11.938 -1.081 1.00 0.00 O ATOM 929 OD2 ASP A 55 -1.885 9.924 -0.639 1.00 0.00 O ATOM 0 H ASP A 55 -6.359 9.638 0.702 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.357 10.913 -1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.457 11.260 0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.964 9.580 0.706 1.00 0.00 H new ATOM 934 N GLU A 56 -4.852 7.668 -1.297 1.00 0.00 N ATOM 935 CA GLU A 56 -4.559 6.440 -2.052 1.00 0.00 C ATOM 936 C GLU A 56 -5.408 6.415 -3.326 1.00 0.00 C ATOM 937 O GLU A 56 -4.953 5.981 -4.384 1.00 0.00 O ATOM 938 CB GLU A 56 -4.870 5.204 -1.204 1.00 0.00 C ATOM 939 CG GLU A 56 -4.390 5.296 0.241 1.00 0.00 C ATOM 940 CD GLU A 56 -2.955 5.786 0.390 1.00 0.00 C ATOM 941 OE1 GLU A 56 -2.168 5.694 -0.575 1.00 0.00 O ATOM 942 OE2 GLU A 56 -2.604 6.268 1.488 1.00 0.00 O ATOM 0 H GLU A 56 -5.134 7.507 -0.330 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.501 6.428 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.947 5.038 -1.207 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.412 4.332 -1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.051 5.967 0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.477 4.313 0.705 1.00 0.00 H new ATOM 949 N ALA A 57 -6.643 6.911 -3.208 1.00 0.00 N ATOM 950 CA ALA A 57 -7.569 6.997 -4.339 1.00 0.00 C ATOM 951 C ALA A 57 -7.048 7.939 -5.422 1.00 0.00 C ATOM 952 O ALA A 57 -7.074 7.604 -6.607 1.00 0.00 O ATOM 953 CB ALA A 57 -8.942 7.456 -3.870 1.00 0.00 C ATOM 0 H ALA A 57 -7.027 7.262 -2.331 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.652 5.999 -4.770 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -9.617 7.514 -4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.335 6.744 -3.144 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -8.858 8.439 -3.406 1.00 0.00 H new ATOM 959 N LYS A 58 -6.575 9.115 -5.011 1.00 0.00 N ATOM 960 CA LYS A 58 -6.029 10.092 -5.953 1.00 0.00 C ATOM 961 C LYS A 58 -4.870 9.486 -6.733 1.00 0.00 C ATOM 962 O LYS A 58 -4.719 9.720 -7.934 1.00 0.00 O ATOM 963 CB LYS A 58 -5.549 11.351 -5.225 1.00 0.00 C ATOM 964 CG LYS A 58 -6.660 12.159 -4.577 1.00 0.00 C ATOM 965 CD LYS A 58 -6.105 13.401 -3.895 1.00 0.00 C ATOM 966 CE LYS A 58 -5.166 13.036 -2.757 1.00 0.00 C ATOM 967 NZ LYS A 58 -4.424 14.208 -2.231 1.00 0.00 N ATOM 0 H LYS A 58 -6.559 9.414 -4.036 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.826 10.369 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.831 11.062 -4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.019 11.987 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.390 12.450 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.184 11.543 -3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.574 14.012 -4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.927 14.005 -3.511 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.740 12.581 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.455 12.286 -3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.608 13.881 -1.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.091 14.792 -3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.052 14.773 -1.625 1.00 0.00 H new ATOM 981 N ARG A 59 -4.064 8.695 -6.040 1.00 0.00 N ATOM 982 CA ARG A 59 -2.911 8.057 -6.650 1.00 0.00 C ATOM 983 C ARG A 59 -3.356 7.000 -7.653 1.00 0.00 C ATOM 984 O ARG A 59 -2.745 6.840 -8.708 1.00 0.00 O ATOM 985 CB ARG A 59 -2.017 7.438 -5.576 1.00 0.00 C ATOM 986 CG ARG A 59 -1.678 8.403 -4.455 1.00 0.00 C ATOM 987 CD ARG A 59 -0.604 7.850 -3.540 1.00 0.00 C ATOM 988 NE ARG A 59 0.718 7.899 -4.158 1.00 0.00 N ATOM 989 CZ ARG A 59 1.836 8.137 -3.481 1.00 0.00 C ATOM 990 NH1 ARG A 59 1.794 8.297 -2.162 1.00 0.00 N ATOM 991 NH2 ARG A 59 2.995 8.202 -4.120 1.00 0.00 N ATOM 0 H ARG A 59 -4.190 8.480 -5.051 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.336 8.814 -7.183 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.515 6.564 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.094 7.088 -6.038 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.342 9.349 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.576 8.615 -3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.591 8.419 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.845 6.819 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 59 0.787 7.742 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.903 8.237 -1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.653 8.480 -1.643 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.028 8.069 -5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 59 3.854 8.385 -3.601 1.00 0.00 H new ATOM 1005 N LEU A 60 -4.441 6.296 -7.329 1.00 0.00 N ATOM 1006 CA LEU A 60 -5.000 5.286 -8.225 1.00 0.00 C ATOM 1007 C LEU A 60 -5.374 5.902 -9.564 1.00 0.00 C ATOM 1008 O LEU A 60 -5.194 5.282 -10.614 1.00 0.00 O ATOM 1009 CB LEU A 60 -6.241 4.630 -7.608 1.00 0.00 C ATOM 1010 CG LEU A 60 -6.011 3.897 -6.288 1.00 0.00 C ATOM 1011 CD1 LEU A 60 -7.306 3.266 -5.800 1.00 0.00 C ATOM 1012 CD2 LEU A 60 -4.920 2.846 -6.443 1.00 0.00 C ATOM 0 H LEU A 60 -4.950 6.407 -6.452 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.234 4.525 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.996 5.400 -7.449 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.653 3.924 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.681 4.620 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.126 2.747 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.055 4.043 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.667 2.555 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.770 2.334 -5.492 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.217 2.122 -7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.991 3.328 -6.746 1.00 0.00 H new ATOM 1024 N ARG A 61 -5.892 7.123 -9.526 1.00 0.00 N ATOM 1025 CA ARG A 61 -6.309 7.815 -10.740 1.00 0.00 C ATOM 1026 C ARG A 61 -5.087 8.194 -11.575 1.00 0.00 C ATOM 1027 O ARG A 61 -5.065 7.988 -12.791 1.00 0.00 O ATOM 1028 CB ARG A 61 -7.125 9.067 -10.388 1.00 0.00 C ATOM 1029 CG ARG A 61 -8.324 9.304 -11.299 1.00 0.00 C ATOM 1030 CD ARG A 61 -7.909 9.607 -12.730 1.00 0.00 C ATOM 1031 NE ARG A 61 -7.244 10.904 -12.851 1.00 0.00 N ATOM 1032 CZ ARG A 61 -6.791 11.409 -13.999 1.00 0.00 C ATOM 1033 NH1 ARG A 61 -6.886 10.715 -15.127 1.00 0.00 N ATOM 1034 NH2 ARG A 61 -6.236 12.611 -14.014 1.00 0.00 N ATOM 0 H ARG A 61 -6.034 7.655 -8.667 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.939 7.146 -11.326 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.475 8.982 -9.359 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.471 9.938 -10.432 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.966 8.423 -11.288 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.914 10.134 -10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.240 8.823 -13.086 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.789 9.591 -13.373 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.119 11.457 -12.003 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -7.309 9.787 -15.121 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.536 11.110 -16.000 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.156 13.147 -13.150 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.888 13.001 -14.890 1.00 0.00 H new ATOM 1048 N ALA A 62 -4.066 8.728 -10.912 1.00 0.00 N ATOM 1049 CA ALA A 62 -2.836 9.136 -11.588 1.00 0.00 C ATOM 1050 C ALA A 62 -2.110 7.930 -12.181 1.00 0.00 C ATOM 1051 O ALA A 62 -1.604 7.978 -13.303 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.925 9.880 -10.622 1.00 0.00 C ATOM 0 H ALA A 62 -4.065 8.889 -9.905 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.104 9.805 -12.406 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.013 10.178 -11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -2.437 10.767 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.672 9.228 -9.786 1.00 0.00 H new ATOM 1058 N LEU A 63 -2.077 6.841 -11.433 1.00 0.00 N ATOM 1059 CA LEU A 63 -1.433 5.628 -11.894 1.00 0.00 C ATOM 1060 C LEU A 63 -2.178 5.053 -13.072 1.00 0.00 C ATOM 1061 O LEU A 63 -1.571 4.517 -13.992 1.00 0.00 O ATOM 1062 CB LEU A 63 -1.334 4.597 -10.765 1.00 0.00 C ATOM 1063 CG LEU A 63 -0.470 5.017 -9.571 1.00 0.00 C ATOM 1064 CD1 LEU A 63 -0.458 3.930 -8.506 1.00 0.00 C ATOM 1065 CD2 LEU A 63 0.947 5.336 -10.024 1.00 0.00 C ATOM 0 H LEU A 63 -2.490 6.774 -10.503 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.421 5.879 -12.211 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.339 4.378 -10.406 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.933 3.670 -11.175 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.904 5.917 -9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.161 4.249 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.475 3.750 -8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.051 3.011 -8.928 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.546 5.632 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.388 4.453 -10.487 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.923 6.151 -10.747 1.00 0.00 H new ATOM 1077 N HIS A 64 -3.487 5.209 -13.075 1.00 0.00 N ATOM 1078 CA HIS A 64 -4.286 4.622 -14.123 1.00 0.00 C ATOM 1079 C HIS A 64 -4.252 5.443 -15.404 1.00 0.00 C ATOM 1080 O HIS A 64 -4.574 4.927 -16.475 1.00 0.00 O ATOM 1081 CB HIS A 64 -5.722 4.386 -13.666 1.00 0.00 C ATOM 1082 CG HIS A 64 -5.909 3.056 -13.006 1.00 0.00 C ATOM 1083 ND1 HIS A 64 -5.909 2.881 -11.644 1.00 0.00 N ATOM 1084 CD2 HIS A 64 -6.089 1.829 -13.541 1.00 0.00 C ATOM 1085 CE1 HIS A 64 -6.076 1.600 -11.368 1.00 0.00 C ATOM 1086 NE2 HIS A 64 -6.190 0.937 -12.504 1.00 0.00 N ATOM 0 H HIS A 64 -4.011 5.731 -12.372 1.00 0.00 H new ATOM 0 HA HIS A 64 -3.839 3.654 -14.348 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -6.012 5.175 -12.972 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -6.388 4.457 -14.526 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.798 3.624 -10.954 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -6.143 1.593 -14.594 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -6.113 1.168 -10.379 1.00 0.00 H new ATOM 1095 N MET A 65 -3.864 6.711 -15.311 1.00 0.00 N ATOM 1096 CA MET A 65 -3.652 7.498 -16.521 1.00 0.00 C ATOM 1097 C MET A 65 -2.306 7.122 -17.125 1.00 0.00 C ATOM 1098 O MET A 65 -2.096 7.244 -18.331 1.00 0.00 O ATOM 1099 CB MET A 65 -3.746 9.013 -16.265 1.00 0.00 C ATOM 1100 CG MET A 65 -2.558 9.618 -15.536 1.00 0.00 C ATOM 1101 SD MET A 65 -2.718 11.403 -15.314 1.00 0.00 S ATOM 1102 CE MET A 65 -1.210 11.764 -14.416 1.00 0.00 C ATOM 0 H MET A 65 -3.694 7.205 -14.435 1.00 0.00 H new ATOM 0 HA MET A 65 -4.450 7.265 -17.226 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.862 9.521 -17.222 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.648 9.213 -15.686 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.453 9.142 -14.561 1.00 0.00 H new ATOM 0 HG3 MET A 65 -1.646 9.405 -16.094 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.160 12.832 -14.203 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.202 11.206 -13.480 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.349 11.474 -15.019 1.00 0.00 H new ATOM 1112 N LYS A 66 -1.402 6.641 -16.272 1.00 0.00 N ATOM 1113 CA LYS A 66 -0.146 6.062 -16.737 1.00 0.00 C ATOM 1114 C LYS A 66 -0.410 4.691 -17.346 1.00 0.00 C ATOM 1115 O LYS A 66 0.114 4.348 -18.407 1.00 0.00 O ATOM 1116 CB LYS A 66 0.840 5.901 -15.578 1.00 0.00 C ATOM 1117 CG LYS A 66 1.241 7.197 -14.896 1.00 0.00 C ATOM 1118 CD LYS A 66 2.135 6.917 -13.697 1.00 0.00 C ATOM 1119 CE LYS A 66 3.395 6.167 -14.103 1.00 0.00 C ATOM 1120 NZ LYS A 66 4.054 5.515 -12.941 1.00 0.00 N ATOM 0 H LYS A 66 -1.517 6.642 -15.259 1.00 0.00 H new ATOM 0 HA LYS A 66 0.283 6.732 -17.482 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.399 5.237 -14.834 1.00 0.00 H new ATOM 0 HB3 LYS A 66 1.739 5.410 -15.950 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.764 7.840 -15.604 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.350 7.736 -14.574 1.00 0.00 H new ATOM 0 HD2 LYS A 66 2.409 7.857 -13.218 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.584 6.333 -12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 66 3.143 5.412 -14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.093 6.859 -14.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.908 5.015 -13.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.318 6.238 -12.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.398 4.835 -12.506 1.00 0.00 H new ATOM 1134 N GLU A 67 -1.220 3.909 -16.642 1.00 0.00 N ATOM 1135 CA GLU A 67 -1.570 2.560 -17.065 1.00 0.00 C ATOM 1136 C GLU A 67 -2.351 2.563 -18.374 1.00 0.00 C ATOM 1137 O GLU A 67 -1.888 2.017 -19.377 1.00 0.00 O ATOM 1138 CB GLU A 67 -2.416 1.867 -15.989 1.00 0.00 C ATOM 1139 CG GLU A 67 -1.670 1.560 -14.700 1.00 0.00 C ATOM 1140 CD GLU A 67 -2.595 1.091 -13.588 1.00 0.00 C ATOM 1141 OE1 GLU A 67 -3.471 0.244 -13.856 1.00 0.00 O ATOM 1142 OE2 GLU A 67 -2.460 1.583 -12.444 1.00 0.00 O ATOM 0 H GLU A 67 -1.652 4.193 -15.763 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.636 2.019 -17.216 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.273 2.499 -15.756 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.808 0.936 -16.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.920 0.792 -14.892 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.136 2.452 -14.372 1.00 0.00 H new ATOM 1149 N HIS A 68 -3.531 3.195 -18.341 1.00 0.00 N ATOM 1150 CA HIS A 68 -4.535 3.111 -19.410 1.00 0.00 C ATOM 1151 C HIS A 68 -4.686 1.676 -19.910 1.00 0.00 C ATOM 1152 O HIS A 68 -4.069 1.267 -20.893 1.00 0.00 O ATOM 1153 CB HIS A 68 -4.312 4.114 -20.567 1.00 0.00 C ATOM 1154 CG HIS A 68 -2.970 4.085 -21.241 1.00 0.00 C ATOM 1155 ND1 HIS A 68 -2.688 3.297 -22.334 1.00 0.00 N ATOM 1156 CD2 HIS A 68 -1.852 4.805 -21.001 1.00 0.00 C ATOM 1157 CE1 HIS A 68 -1.455 3.534 -22.735 1.00 0.00 C ATOM 1158 NE2 HIS A 68 -0.925 4.449 -21.944 1.00 0.00 N ATOM 0 H HIS A 68 -3.819 3.786 -17.562 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.480 3.415 -18.960 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.076 3.935 -21.324 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.476 5.120 -20.181 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.715 5.528 -20.211 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.961 3.060 -23.570 1.00 0.00 H new ATOM 0 HE2 HIS A 68 0.019 4.828 -22.022 1.00 0.00 H new ATOM 1167 N PRO A 69 -5.507 0.888 -19.201 1.00 0.00 N ATOM 1168 CA PRO A 69 -5.693 -0.537 -19.485 1.00 0.00 C ATOM 1169 C PRO A 69 -6.296 -0.789 -20.860 1.00 0.00 C ATOM 1170 O PRO A 69 -6.861 0.111 -21.479 1.00 0.00 O ATOM 1171 CB PRO A 69 -6.659 -1.004 -18.392 1.00 0.00 C ATOM 1172 CG PRO A 69 -7.348 0.233 -17.933 1.00 0.00 C ATOM 1173 CD PRO A 69 -6.337 1.332 -18.069 1.00 0.00 C ATOM 0 HA PRO A 69 -4.741 -1.068 -19.490 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -7.372 -1.732 -18.780 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -6.125 -1.486 -17.573 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -8.232 0.437 -18.537 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -7.684 0.135 -16.901 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -6.811 2.293 -18.270 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -5.747 1.451 -17.160 1.00 0.00 H new ATOM 1181 N ASP A 70 -6.187 -2.026 -21.316 1.00 0.00 N ATOM 1182 CA ASP A 70 -6.707 -2.423 -22.619 1.00 0.00 C ATOM 1183 C ASP A 70 -8.152 -2.881 -22.496 1.00 0.00 C ATOM 1184 O ASP A 70 -8.712 -3.476 -23.419 1.00 0.00 O ATOM 1185 CB ASP A 70 -5.852 -3.542 -23.217 1.00 0.00 C ATOM 1186 CG ASP A 70 -5.897 -4.818 -22.400 1.00 0.00 C ATOM 1187 OD1 ASP A 70 -5.691 -4.753 -21.168 1.00 0.00 O ATOM 1188 OD2 ASP A 70 -6.110 -5.897 -22.987 1.00 0.00 O ATOM 0 H ASP A 70 -5.738 -2.782 -20.798 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.668 -1.559 -23.282 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.195 -3.753 -24.230 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.819 -3.202 -23.294 1.00 0.00 H new ATOM 1193 N TYR A 71 -8.744 -2.608 -21.341 1.00 0.00 N ATOM 1194 CA TYR A 71 -10.155 -2.877 -21.116 1.00 0.00 C ATOM 1195 C TYR A 71 -10.966 -1.992 -22.053 1.00 0.00 C ATOM 1196 O TYR A 71 -10.644 -0.817 -22.226 1.00 0.00 O ATOM 1197 CB TYR A 71 -10.514 -2.598 -19.650 1.00 0.00 C ATOM 1198 CG TYR A 71 -11.809 -3.239 -19.183 1.00 0.00 C ATOM 1199 CD1 TYR A 71 -13.030 -2.601 -19.356 1.00 0.00 C ATOM 1200 CD2 TYR A 71 -11.801 -4.480 -18.555 1.00 0.00 C ATOM 1201 CE1 TYR A 71 -14.206 -3.181 -18.917 1.00 0.00 C ATOM 1202 CE2 TYR A 71 -12.973 -5.065 -18.112 1.00 0.00 C ATOM 1203 CZ TYR A 71 -14.172 -4.412 -18.297 1.00 0.00 C ATOM 1204 OH TYR A 71 -15.342 -4.991 -17.854 1.00 0.00 O ATOM 0 H TYR A 71 -8.263 -2.197 -20.541 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.380 -3.924 -21.320 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.700 -2.951 -19.017 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.585 -1.520 -19.506 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.062 -1.637 -19.841 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.863 -4.996 -18.411 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -15.148 -2.672 -19.059 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.949 -6.028 -17.624 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.143 -5.857 -17.441 1.00 0.00 H new ATOM 1214 N LYS A 72 -11.993 -2.560 -22.666 1.00 0.00 N ATOM 1215 CA LYS A 72 -12.732 -1.872 -23.716 1.00 0.00 C ATOM 1216 C LYS A 72 -13.493 -0.647 -23.213 1.00 0.00 C ATOM 1217 O LYS A 72 -14.670 -0.727 -22.853 1.00 0.00 O ATOM 1218 CB LYS A 72 -13.686 -2.833 -24.428 1.00 0.00 C ATOM 1219 CG LYS A 72 -12.969 -3.847 -25.305 1.00 0.00 C ATOM 1220 CD LYS A 72 -13.944 -4.774 -26.013 1.00 0.00 C ATOM 1221 CE LYS A 72 -14.667 -5.688 -25.036 1.00 0.00 C ATOM 1222 NZ LYS A 72 -13.723 -6.547 -24.271 1.00 0.00 N ATOM 0 H LYS A 72 -12.335 -3.497 -22.455 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.987 -1.510 -24.425 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.281 -3.362 -23.684 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.380 -2.258 -25.041 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.364 -3.323 -26.045 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.286 -4.437 -24.694 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -14.674 -4.181 -26.564 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -13.406 -5.377 -26.744 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -15.252 -5.085 -24.342 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.369 -6.318 -25.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.247 -7.328 -23.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.005 -6.934 -24.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.257 -5.980 -23.534 1.00 0.00 H new ATOM 1236 N TYR A 73 -12.789 0.472 -23.161 1.00 0.00 N ATOM 1237 CA TYR A 73 -13.399 1.778 -22.994 1.00 0.00 C ATOM 1238 C TYR A 73 -13.065 2.607 -24.222 1.00 0.00 C ATOM 1239 O TYR A 73 -11.904 2.939 -24.457 1.00 0.00 O ATOM 1240 CB TYR A 73 -12.885 2.484 -21.735 1.00 0.00 C ATOM 1241 CG TYR A 73 -13.346 1.868 -20.432 1.00 0.00 C ATOM 1242 CD1 TYR A 73 -14.659 2.005 -19.998 1.00 0.00 C ATOM 1243 CD2 TYR A 73 -12.462 1.162 -19.626 1.00 0.00 C ATOM 1244 CE1 TYR A 73 -15.078 1.453 -18.803 1.00 0.00 C ATOM 1245 CE2 TYR A 73 -12.874 0.609 -18.427 1.00 0.00 C ATOM 1246 CZ TYR A 73 -14.183 0.757 -18.021 1.00 0.00 C ATOM 1247 OH TYR A 73 -14.596 0.209 -16.825 1.00 0.00 O ATOM 0 H TYR A 73 -11.772 0.498 -23.234 1.00 0.00 H new ATOM 0 HA TYR A 73 -14.477 1.660 -22.881 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -11.795 2.485 -21.755 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -13.206 3.525 -21.762 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -15.364 2.553 -20.606 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.436 1.043 -19.941 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -16.103 1.567 -18.483 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.173 0.064 -17.812 1.00 0.00 H new ATOM 0 HH TYR A 73 -14.068 -0.594 -16.634 1.00 0.00 H new ATOM 1257 N ARG A 74 -14.072 2.912 -25.017 1.00 0.00 N ATOM 1258 CA ARG A 74 -13.857 3.607 -26.277 1.00 0.00 C ATOM 1259 C ARG A 74 -14.517 4.977 -26.266 1.00 0.00 C ATOM 1260 O ARG A 74 -15.414 5.221 -25.454 1.00 0.00 O ATOM 1261 CB ARG A 74 -14.376 2.759 -27.442 1.00 0.00 C ATOM 1262 CG ARG A 74 -13.509 1.542 -27.715 1.00 0.00 C ATOM 1263 CD ARG A 74 -13.995 0.751 -28.916 1.00 0.00 C ATOM 1264 NE ARG A 74 -13.068 -0.325 -29.266 1.00 0.00 N ATOM 1265 CZ ARG A 74 -13.296 -1.232 -30.214 1.00 0.00 C ATOM 1266 NH1 ARG A 74 -14.430 -1.212 -30.901 1.00 0.00 N ATOM 1267 NH2 ARG A 74 -12.392 -2.167 -30.472 1.00 0.00 N ATOM 0 H ARG A 74 -15.047 2.691 -24.816 1.00 0.00 H new ATOM 0 HA ARG A 74 -12.786 3.759 -26.408 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.393 2.433 -27.224 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -14.424 3.374 -28.340 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -12.480 1.861 -27.884 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -13.503 0.898 -26.836 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -14.977 0.330 -28.701 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.115 1.420 -29.768 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.190 -0.384 -28.750 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -15.133 -0.499 -30.704 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.599 -1.909 -31.626 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -11.520 -2.193 -29.944 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.569 -2.861 -31.199 1.00 0.00 H new ATOM 1281 N PRO A 75 -14.074 5.880 -27.171 1.00 0.00 N ATOM 1282 CA PRO A 75 -14.567 7.259 -27.267 1.00 0.00 C ATOM 1283 C PRO A 75 -16.083 7.377 -27.141 1.00 0.00 C ATOM 1284 O PRO A 75 -16.838 6.495 -27.566 1.00 0.00 O ATOM 1285 CB PRO A 75 -14.116 7.719 -28.662 1.00 0.00 C ATOM 1286 CG PRO A 75 -13.478 6.528 -29.305 1.00 0.00 C ATOM 1287 CD PRO A 75 -13.043 5.633 -28.185 1.00 0.00 C ATOM 0 HA PRO A 75 -14.175 7.864 -26.450 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -14.964 8.072 -29.249 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -13.411 8.548 -28.590 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -14.182 6.016 -29.962 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -12.628 6.825 -29.919 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -13.013 4.587 -28.488 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -12.047 5.888 -27.823 1.00 0.00 H new ATOM 1295 N ARG A 76 -16.514 8.489 -26.574 1.00 0.00 N ATOM 1296 CA ARG A 76 -17.916 8.709 -26.287 1.00 0.00 C ATOM 1297 C ARG A 76 -18.514 9.686 -27.291 1.00 0.00 C ATOM 1298 O ARG A 76 -17.910 10.711 -27.616 1.00 0.00 O ATOM 1299 CB ARG A 76 -18.082 9.232 -24.851 1.00 0.00 C ATOM 1300 CG ARG A 76 -17.514 10.628 -24.617 1.00 0.00 C ATOM 1301 CD ARG A 76 -17.324 10.913 -23.136 1.00 0.00 C ATOM 1302 NE ARG A 76 -17.300 12.349 -22.839 1.00 0.00 N ATOM 1303 CZ ARG A 76 -16.210 13.031 -22.464 1.00 0.00 C ATOM 1304 NH1 ARG A 76 -15.018 12.449 -22.446 1.00 0.00 N ATOM 1305 NH2 ARG A 76 -16.317 14.312 -22.130 1.00 0.00 N ATOM 0 H ARG A 76 -15.904 9.260 -26.301 1.00 0.00 H new ATOM 0 HA ARG A 76 -18.450 7.763 -26.375 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -19.143 9.238 -24.600 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -17.597 8.537 -24.166 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -16.558 10.724 -25.132 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -18.184 11.371 -25.048 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -18.129 10.442 -22.572 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -16.392 10.460 -22.799 1.00 0.00 H new ATOM 0 HE ARG A 76 -18.176 12.865 -22.924 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.924 11.471 -22.720 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.196 12.980 -22.158 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.227 14.773 -22.160 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.490 14.835 -21.844 1.00 0.00 H new ATOM 1319 N ARG A 77 -19.685 9.351 -27.809 1.00 0.00 N ATOM 1320 CA ARG A 77 -20.398 10.254 -28.697 1.00 0.00 C ATOM 1321 C ARG A 77 -21.232 11.225 -27.880 1.00 0.00 C ATOM 1322 O ARG A 77 -22.343 10.893 -27.456 1.00 0.00 O ATOM 1323 CB ARG A 77 -21.284 9.483 -29.681 1.00 0.00 C ATOM 1324 CG ARG A 77 -20.506 8.817 -30.807 1.00 0.00 C ATOM 1325 CD ARG A 77 -19.696 9.833 -31.595 1.00 0.00 C ATOM 1326 NE ARG A 77 -20.523 10.946 -32.059 1.00 0.00 N ATOM 1327 CZ ARG A 77 -20.143 12.220 -32.027 1.00 0.00 C ATOM 1328 NH1 ARG A 77 -18.931 12.545 -31.594 1.00 0.00 N ATOM 1329 NH2 ARG A 77 -20.974 13.164 -32.438 1.00 0.00 N ATOM 0 H ARG A 77 -20.159 8.466 -27.631 1.00 0.00 H new ATOM 0 HA ARG A 77 -19.665 10.812 -29.280 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -21.841 8.721 -29.136 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -22.016 10.167 -30.111 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -19.840 8.060 -30.393 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -21.197 8.303 -31.475 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.888 10.216 -30.971 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -19.233 9.343 -32.451 1.00 0.00 H new ATOM 0 HE ARG A 77 -21.449 10.732 -32.430 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.288 11.816 -31.284 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -18.643 13.523 -31.571 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -21.903 12.913 -32.778 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -20.686 14.142 -32.415 1.00 0.00 H new ATOM 1343 N LYS A 78 -20.667 12.407 -27.635 1.00 0.00 N ATOM 1344 CA LYS A 78 -21.301 13.424 -26.803 1.00 0.00 C ATOM 1345 C LYS A 78 -21.454 12.912 -25.370 1.00 0.00 C ATOM 1346 O LYS A 78 -20.915 11.860 -25.013 1.00 0.00 O ATOM 1347 CB LYS A 78 -22.658 13.834 -27.391 1.00 0.00 C ATOM 1348 CG LYS A 78 -22.550 14.450 -28.780 1.00 0.00 C ATOM 1349 CD LYS A 78 -23.909 14.578 -29.454 1.00 0.00 C ATOM 1350 CE LYS A 78 -24.868 15.426 -28.638 1.00 0.00 C ATOM 1351 NZ LYS A 78 -26.162 15.635 -29.340 1.00 0.00 N ATOM 0 H LYS A 78 -19.759 12.684 -28.008 1.00 0.00 H new ATOM 0 HA LYS A 78 -20.665 14.309 -26.784 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -23.305 12.958 -27.439 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -23.136 14.548 -26.720 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -22.088 15.435 -28.705 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -21.895 13.837 -29.399 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -23.784 15.021 -30.442 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.336 13.586 -29.601 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -25.050 14.944 -27.677 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -24.409 16.392 -28.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -26.787 16.219 -28.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -25.992 16.118 -30.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -26.613 14.715 -29.518 1.00 0.00 H new ATOM 1365 N THR A 79 -22.137 13.673 -24.539 1.00 0.00 N ATOM 1366 CA THR A 79 -22.391 13.260 -23.169 1.00 0.00 C ATOM 1367 C THR A 79 -23.686 13.887 -22.671 1.00 0.00 C ATOM 1368 O THR A 79 -24.619 13.188 -22.273 1.00 0.00 O ATOM 1369 CB THR A 79 -21.222 13.663 -22.242 1.00 0.00 C ATOM 1370 OG1 THR A 79 -19.981 13.185 -22.789 1.00 0.00 O ATOM 1371 CG2 THR A 79 -21.414 13.095 -20.842 1.00 0.00 C ATOM 0 H THR A 79 -22.528 14.582 -24.786 1.00 0.00 H new ATOM 0 HA THR A 79 -22.483 12.174 -23.151 1.00 0.00 H new ATOM 0 HB THR A 79 -21.200 14.751 -22.173 1.00 0.00 H new ATOM 0 HG1 THR A 79 -19.698 13.773 -23.521 1.00 0.00 H new ATOM 0 HG21 THR A 79 -20.577 13.394 -20.210 1.00 0.00 H new ATOM 0 HG22 THR A 79 -22.343 13.477 -20.419 1.00 0.00 H new ATOM 0 HG23 THR A 79 -21.459 12.007 -20.894 1.00 0.00 H new ATOM 1379 N LYS A 80 -23.735 15.207 -22.729 1.00 0.00 N ATOM 1380 CA LYS A 80 -24.911 15.964 -22.336 1.00 0.00 C ATOM 1381 C LYS A 80 -24.683 17.427 -22.682 1.00 0.00 C ATOM 1382 O LYS A 80 -23.718 18.036 -22.213 1.00 0.00 O ATOM 1383 CB LYS A 80 -25.183 15.818 -20.832 1.00 0.00 C ATOM 1384 CG LYS A 80 -26.658 15.651 -20.479 1.00 0.00 C ATOM 1385 CD LYS A 80 -27.483 16.885 -20.818 1.00 0.00 C ATOM 1386 CE LYS A 80 -27.146 18.056 -19.908 1.00 0.00 C ATOM 1387 NZ LYS A 80 -27.984 19.250 -20.202 1.00 0.00 N ATOM 0 H LYS A 80 -22.959 15.785 -23.051 1.00 0.00 H new ATOM 0 HA LYS A 80 -25.780 15.580 -22.871 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -24.631 14.957 -20.456 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -24.794 16.696 -20.316 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -27.061 14.791 -21.014 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -26.751 15.437 -19.414 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -27.305 17.168 -21.856 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -28.543 16.649 -20.729 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -27.289 17.760 -18.869 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -26.093 18.314 -20.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -28.006 19.872 -19.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -27.581 19.766 -21.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -28.952 18.947 -20.433 1.00 0.00 H new ATOM 1401 N THR A 81 -25.536 17.969 -23.531 1.00 0.00 N ATOM 1402 CA THR A 81 -25.441 19.364 -23.915 1.00 0.00 C ATOM 1403 C THR A 81 -25.960 20.249 -22.785 1.00 0.00 C ATOM 1404 O THR A 81 -27.188 20.255 -22.547 1.00 0.00 O ATOM 1405 CB THR A 81 -26.229 19.635 -25.214 1.00 0.00 C ATOM 1406 OG1 THR A 81 -25.789 18.735 -26.247 1.00 0.00 O ATOM 1407 CG2 THR A 81 -26.040 21.071 -25.683 1.00 0.00 C ATOM 1408 OXT THR A 81 -25.135 20.914 -22.119 1.00 0.00 O ATOM 0 H THR A 81 -26.305 17.462 -23.969 1.00 0.00 H new ATOM 0 HA THR A 81 -24.393 19.600 -24.102 1.00 0.00 H new ATOM 0 HB THR A 81 -27.287 19.475 -25.007 1.00 0.00 H new ATOM 0 HG1 THR A 81 -26.293 18.909 -27.069 1.00 0.00 H new ATOM 0 HG21 THR A 81 -26.607 21.232 -26.600 1.00 0.00 H new ATOM 0 HG22 THR A 81 -26.395 21.755 -24.912 1.00 0.00 H new ATOM 0 HG23 THR A 81 -24.983 21.255 -25.873 1.00 0.00 H new TER 1416 THR A 81