USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1084 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 137 GLN : amide:sc= 0.852 K(o=3.4,f=-6.7!) USER MOD Set 1.2: A 140 ASN : amide:sc= 2.51 K(o=3.4,f=-7.7!) USER MOD Set 2.1: A 106 THR OG1 : rot 114:sc= 1.28 USER MOD Set 2.2: A 111 TYR OH : rot 180:sc= 1.01 USER MOD Set 3.1: A 74 TYR OH : rot -2:sc= 1.15 USER MOD Set 3.2: A 98 SER OG : rot 171:sc= 0.953 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.19) USER MOD Single : A 13 LYS NZ :NH3+ -106:sc= 0 (180deg=-1.26) USER MOD Single : A 15 THR OG1 : rot -70:sc= 0.608 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 85:sc= 0.963 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.71 K(o=-1.7,f=-5.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 74:sc= 0.14 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 170:sc= -0.0267 USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0114) USER MOD Single : A 42 THR OG1 : rot -130:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.339 K(o=-0.34,f=-2.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 31:sc= 0.227 USER MOD Single : A 76 SER OG : rot -144:sc= 1.04 USER MOD Single : A 77 HIS :FLIP no HD1:sc= -0.192 F(o=-0.76,f=-0.19) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0327) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 CYS SG : rot 12:sc= -1.09 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc=-0.00992 X(o=-0.0099,f=-0.0099) USER MOD Single : A 120 TYR OH : rot -25:sc= -1.84 USER MOD Single : A 121 ASN : amide:sc= 1.39 K(o=1.4,f=-3.1!) USER MOD Single : A 127 ASN : amide:sc= -0.0353 X(o=-0.035,f=0) USER MOD Single : A 132 THR OG1 : rot 140:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.536 5.166 -5.278 1.00 40.12 N ATOM 34 CA GLU A 4 21.129 4.867 -5.114 1.00 74.13 C ATOM 35 C GLU A 4 20.870 4.482 -3.674 1.00 24.02 C ATOM 36 O GLU A 4 21.749 3.976 -2.961 1.00 1.40 O ATOM 37 CB GLU A 4 20.618 3.781 -6.066 1.00 24.22 C ATOM 38 CG GLU A 4 21.055 3.954 -7.519 1.00 74.11 C ATOM 39 CD GLU A 4 22.021 2.855 -7.951 1.00 20.20 C ATOM 40 OE1 GLU A 4 23.119 2.726 -7.361 1.00 74.25 O ATOM 41 OE2 GLU A 4 21.656 2.091 -8.873 1.00 41.44 O ATOM 0 HA GLU A 4 20.573 5.768 -5.372 1.00 74.13 H new ATOM 0 HB2 GLU A 4 20.964 2.811 -5.709 1.00 24.22 H new ATOM 0 HB3 GLU A 4 19.529 3.765 -6.027 1.00 24.22 H new ATOM 0 HG2 GLU A 4 20.178 3.944 -8.167 1.00 74.11 H new ATOM 0 HG3 GLU A 4 21.531 4.927 -7.643 1.00 74.11 H new ATOM 48 N GLU A 5 19.634 4.724 -3.269 1.00 54.11 N ATOM 49 CA GLU A 5 19.101 4.193 -2.039 1.00 42.51 C ATOM 50 C GLU A 5 18.902 2.690 -2.259 1.00 61.04 C ATOM 51 O GLU A 5 18.523 2.243 -3.349 1.00 10.23 O ATOM 52 CB GLU A 5 17.811 4.951 -1.680 1.00 14.12 C ATOM 53 CG GLU A 5 17.036 4.349 -0.502 1.00 75.32 C ATOM 54 CD GLU A 5 17.746 4.418 0.864 1.00 75.44 C ATOM 55 OE1 GLU A 5 18.975 4.226 0.932 1.00 20.32 O ATOM 56 OE2 GLU A 5 17.071 4.655 1.886 1.00 51.44 O ATOM 0 H GLU A 5 18.973 5.299 -3.792 1.00 54.11 H new ATOM 0 HA GLU A 5 19.769 4.327 -1.188 1.00 42.51 H new ATOM 0 HB2 GLU A 5 18.064 5.985 -1.444 1.00 14.12 H new ATOM 0 HB3 GLU A 5 17.161 4.974 -2.555 1.00 14.12 H new ATOM 0 HG2 GLU A 5 16.078 4.862 -0.420 1.00 75.32 H new ATOM 0 HG3 GLU A 5 16.820 3.305 -0.727 1.00 75.32 H new ATOM 63 N ASP A 6 19.173 1.894 -1.233 1.00 1.42 N ATOM 64 CA ASP A 6 19.100 0.440 -1.306 1.00 70.33 C ATOM 65 C ASP A 6 17.709 -0.059 -0.911 1.00 23.30 C ATOM 66 O ASP A 6 17.151 0.397 0.085 1.00 23.23 O ATOM 67 CB ASP A 6 20.156 -0.155 -0.387 1.00 3.44 C ATOM 68 CG ASP A 6 20.017 -1.661 -0.354 1.00 2.54 C ATOM 69 OD1 ASP A 6 20.362 -2.303 -1.366 1.00 11.31 O ATOM 70 OD2 ASP A 6 19.498 -2.152 0.674 1.00 41.52 O ATOM 0 H ASP A 6 19.453 2.243 -0.316 1.00 1.42 H new ATOM 0 HA ASP A 6 19.286 0.125 -2.333 1.00 70.33 H new ATOM 0 HB2 ASP A 6 21.151 0.120 -0.736 1.00 3.44 H new ATOM 0 HB3 ASP A 6 20.047 0.252 0.618 1.00 3.44 H new ATOM 75 N PHE A 7 17.142 -1.003 -1.665 1.00 53.44 N ATOM 76 CA PHE A 7 15.797 -1.521 -1.459 1.00 13.40 C ATOM 77 C PHE A 7 15.612 -2.240 -0.113 1.00 64.05 C ATOM 78 O PHE A 7 14.478 -2.350 0.348 1.00 65.03 O ATOM 79 CB PHE A 7 15.382 -2.424 -2.632 1.00 5.53 C ATOM 80 CG PHE A 7 13.886 -2.570 -2.825 1.00 25.04 C ATOM 81 CD1 PHE A 7 13.126 -1.439 -3.172 1.00 64.23 C ATOM 82 CD2 PHE A 7 13.250 -3.818 -2.682 1.00 13.10 C ATOM 83 CE1 PHE A 7 11.740 -1.542 -3.355 1.00 61.24 C ATOM 84 CE2 PHE A 7 11.858 -3.919 -2.853 1.00 73.42 C ATOM 85 CZ PHE A 7 11.104 -2.780 -3.183 1.00 72.25 C ATOM 0 H PHE A 7 17.621 -1.436 -2.454 1.00 53.44 H new ATOM 0 HA PHE A 7 15.136 -0.655 -1.423 1.00 13.40 H new ATOM 0 HB2 PHE A 7 15.815 -2.025 -3.549 1.00 5.53 H new ATOM 0 HB3 PHE A 7 15.813 -3.414 -2.480 1.00 5.53 H new ATOM 0 HD1 PHE A 7 13.614 -0.484 -3.298 1.00 64.23 H new ATOM 0 HD2 PHE A 7 13.830 -4.696 -2.441 1.00 13.10 H new ATOM 0 HE1 PHE A 7 11.164 -0.670 -3.628 1.00 61.24 H new ATOM 0 HE2 PHE A 7 11.368 -4.873 -2.731 1.00 73.42 H new ATOM 0 HZ PHE A 7 10.034 -2.858 -3.304 1.00 72.25 H new ATOM 95 N LYS A 8 16.661 -2.711 0.572 1.00 3.54 N ATOM 96 CA LYS A 8 16.531 -3.133 1.967 1.00 5.34 C ATOM 97 C LYS A 8 16.599 -1.905 2.866 1.00 22.03 C ATOM 98 O LYS A 8 15.708 -1.701 3.686 1.00 61.41 O ATOM 99 CB LYS A 8 17.595 -4.182 2.317 1.00 11.51 C ATOM 100 CG LYS A 8 17.736 -4.370 3.831 1.00 25.20 C ATOM 101 CD LYS A 8 18.693 -5.521 4.137 1.00 54.41 C ATOM 102 CE LYS A 8 18.721 -5.733 5.649 1.00 61.03 C ATOM 103 NZ LYS A 8 19.798 -6.661 6.037 1.00 13.50 N ATOM 0 H LYS A 8 17.600 -2.808 0.185 1.00 3.54 H new ATOM 0 HA LYS A 8 15.565 -3.613 2.125 1.00 5.34 H new ATOM 0 HB2 LYS A 8 17.332 -5.134 1.856 1.00 11.51 H new ATOM 0 HB3 LYS A 8 18.555 -3.880 1.898 1.00 11.51 H new ATOM 0 HG2 LYS A 8 18.105 -3.451 4.285 1.00 25.20 H new ATOM 0 HG3 LYS A 8 16.760 -4.573 4.271 1.00 25.20 H new ATOM 0 HD2 LYS A 8 18.367 -6.430 3.632 1.00 54.41 H new ATOM 0 HD3 LYS A 8 19.692 -5.292 3.767 1.00 54.41 H new ATOM 0 HE2 LYS A 8 18.864 -4.776 6.151 1.00 61.03 H new ATOM 0 HE3 LYS A 8 17.761 -6.127 5.982 1.00 61.03 H new ATOM 0 HZ1 LYS A 8 19.793 -6.786 7.069 1.00 13.50 H new ATOM 0 HZ2 LYS A 8 19.647 -7.581 5.576 1.00 13.50 H new ATOM 0 HZ3 LYS A 8 20.715 -6.272 5.740 1.00 13.50 H new ATOM 117 N THR A 9 17.649 -1.101 2.755 1.00 63.15 N ATOM 118 CA THR A 9 17.858 0.008 3.679 1.00 30.03 C ATOM 119 C THR A 9 16.714 1.038 3.644 1.00 32.31 C ATOM 120 O THR A 9 16.409 1.620 4.691 1.00 34.03 O ATOM 121 CB THR A 9 19.217 0.651 3.392 1.00 70.03 C ATOM 122 OG1 THR A 9 20.262 -0.300 3.480 1.00 63.43 O ATOM 123 CG2 THR A 9 19.539 1.791 4.362 1.00 30.01 C ATOM 0 H THR A 9 18.367 -1.195 2.037 1.00 63.15 H new ATOM 0 HA THR A 9 17.856 -0.388 4.695 1.00 30.03 H new ATOM 0 HB THR A 9 19.148 1.049 2.380 1.00 70.03 H new ATOM 0 HG1 THR A 9 21.119 0.137 3.291 1.00 63.43 H new ATOM 0 HG21 THR A 9 20.513 2.214 4.116 1.00 30.01 H new ATOM 0 HG22 THR A 9 18.776 2.565 4.280 1.00 30.01 H new ATOM 0 HG23 THR A 9 19.557 1.407 5.382 1.00 30.01 H new ATOM 131 N PHE A 10 16.064 1.265 2.492 1.00 64.01 N ATOM 132 CA PHE A 10 14.990 2.255 2.416 1.00 32.10 C ATOM 133 C PHE A 10 13.795 1.663 3.171 1.00 45.42 C ATOM 134 O PHE A 10 13.053 2.406 3.806 1.00 4.20 O ATOM 135 CB PHE A 10 14.555 2.595 0.969 1.00 42.35 C ATOM 136 CG PHE A 10 13.318 1.911 0.416 1.00 30.30 C ATOM 137 CD1 PHE A 10 13.345 0.545 0.127 1.00 54.22 C ATOM 138 CD2 PHE A 10 12.114 2.628 0.261 1.00 44.25 C ATOM 139 CE1 PHE A 10 12.188 -0.119 -0.309 1.00 45.22 C ATOM 140 CE2 PHE A 10 10.956 1.971 -0.195 1.00 65.14 C ATOM 141 CZ PHE A 10 10.997 0.597 -0.491 1.00 11.54 C ATOM 0 H PHE A 10 16.262 0.783 1.615 1.00 64.01 H new ATOM 0 HA PHE A 10 15.351 3.189 2.847 1.00 32.10 H new ATOM 0 HB2 PHE A 10 14.394 3.672 0.913 1.00 42.35 H new ATOM 0 HB3 PHE A 10 15.389 2.363 0.307 1.00 42.35 H new ATOM 0 HD1 PHE A 10 14.267 -0.007 0.240 1.00 54.22 H new ATOM 0 HD2 PHE A 10 12.080 3.682 0.492 1.00 44.25 H new ATOM 0 HE1 PHE A 10 12.215 -1.181 -0.504 1.00 45.22 H new ATOM 0 HE2 PHE A 10 10.035 2.522 -0.318 1.00 65.14 H new ATOM 0 HZ PHE A 10 10.114 0.095 -0.857 1.00 11.54 H new ATOM 151 N LEU A 11 13.633 0.331 3.102 1.00 23.01 N ATOM 152 CA LEU A 11 12.522 -0.442 3.627 1.00 70.15 C ATOM 153 C LEU A 11 12.391 -0.126 5.102 1.00 24.10 C ATOM 154 O LEU A 11 11.372 0.391 5.532 1.00 72.25 O ATOM 155 CB LEU A 11 12.724 -1.945 3.390 1.00 23.42 C ATOM 156 CG LEU A 11 11.424 -2.724 3.147 1.00 43.43 C ATOM 157 CD1 LEU A 11 10.206 -2.199 3.897 1.00 10.31 C ATOM 158 CD2 LEU A 11 11.079 -2.837 1.661 1.00 30.13 C ATOM 0 H LEU A 11 14.326 -0.262 2.646 1.00 23.01 H new ATOM 0 HA LEU A 11 11.603 -0.172 3.107 1.00 70.15 H new ATOM 0 HB2 LEU A 11 13.382 -2.081 2.531 1.00 23.42 H new ATOM 0 HB3 LEU A 11 13.234 -2.372 4.253 1.00 23.42 H new ATOM 0 HG LEU A 11 11.649 -3.710 3.554 1.00 43.43 H new ATOM 0 HD11 LEU A 11 9.339 -2.815 3.659 1.00 10.31 H new ATOM 0 HD12 LEU A 11 10.395 -2.237 4.970 1.00 10.31 H new ATOM 0 HD13 LEU A 11 10.011 -1.169 3.599 1.00 10.31 H new ATOM 0 HD21 LEU A 11 10.151 -3.397 1.544 1.00 30.13 H new ATOM 0 HD22 LEU A 11 10.956 -1.839 1.239 1.00 30.13 H new ATOM 0 HD23 LEU A 11 11.883 -3.355 1.139 1.00 30.13 H new ATOM 170 N GLN A 12 13.475 -0.348 5.848 1.00 41.43 N ATOM 171 CA GLN A 12 13.552 -0.176 7.292 1.00 72.31 C ATOM 172 C GLN A 12 12.978 1.176 7.728 1.00 70.15 C ATOM 173 O GLN A 12 12.227 1.241 8.704 1.00 65.23 O ATOM 174 CB GLN A 12 15.017 -0.326 7.741 1.00 51.42 C ATOM 175 CG GLN A 12 15.602 -1.693 7.344 1.00 31.20 C ATOM 176 CD GLN A 12 17.040 -1.925 7.800 1.00 11.54 C ATOM 177 OE1 GLN A 12 17.851 -2.510 7.080 1.00 63.03 O ATOM 178 NE2 GLN A 12 17.399 -1.531 9.011 1.00 14.30 N ATOM 0 H GLN A 12 14.356 -0.665 5.442 1.00 41.43 H new ATOM 0 HA GLN A 12 12.947 -0.946 7.771 1.00 72.31 H new ATOM 0 HB2 GLN A 12 15.616 0.468 7.296 1.00 51.42 H new ATOM 0 HB3 GLN A 12 15.079 -0.205 8.822 1.00 51.42 H new ATOM 0 HG2 GLN A 12 14.971 -2.478 7.761 1.00 31.20 H new ATOM 0 HG3 GLN A 12 15.558 -1.791 6.259 1.00 31.20 H new ATOM 0 HE21 GLN A 12 16.730 -1.047 9.609 1.00 14.30 H new ATOM 0 HE22 GLN A 12 18.345 -1.712 9.347 1.00 14.30 H new ATOM 187 N LYS A 13 13.328 2.237 6.993 1.00 33.03 N ATOM 188 CA LYS A 13 12.892 3.609 7.235 1.00 11.33 C ATOM 189 C LYS A 13 11.442 3.789 6.805 1.00 1.21 C ATOM 190 O LYS A 13 10.641 4.326 7.562 1.00 41.03 O ATOM 191 CB LYS A 13 13.786 4.581 6.455 1.00 2.21 C ATOM 192 CG LYS A 13 15.264 4.436 6.832 1.00 52.14 C ATOM 193 CD LYS A 13 16.121 5.377 5.980 1.00 54.54 C ATOM 194 CE LYS A 13 17.562 5.412 6.494 1.00 62.11 C ATOM 195 NZ LYS A 13 18.187 4.073 6.485 1.00 71.14 N ATOM 0 H LYS A 13 13.945 2.157 6.185 1.00 33.03 H new ATOM 0 HA LYS A 13 12.971 3.819 8.302 1.00 11.33 H new ATOM 0 HB2 LYS A 13 13.666 4.404 5.386 1.00 2.21 H new ATOM 0 HB3 LYS A 13 13.462 5.604 6.647 1.00 2.21 H new ATOM 0 HG2 LYS A 13 15.401 4.664 7.889 1.00 52.14 H new ATOM 0 HG3 LYS A 13 15.585 3.405 6.684 1.00 52.14 H new ATOM 0 HD2 LYS A 13 16.108 5.048 4.941 1.00 54.54 H new ATOM 0 HD3 LYS A 13 15.698 6.381 6.001 1.00 54.54 H new ATOM 0 HE2 LYS A 13 18.150 6.091 5.877 1.00 62.11 H new ATOM 0 HE3 LYS A 13 17.575 5.811 7.508 1.00 62.11 H new ATOM 0 HZ1 LYS A 13 18.253 3.714 7.459 1.00 71.14 H new ATOM 0 HZ2 LYS A 13 17.608 3.424 5.915 1.00 71.14 H new ATOM 0 HZ3 LYS A 13 19.141 4.138 6.075 1.00 71.14 H new ATOM 209 N PHE A 14 11.096 3.309 5.609 1.00 4.22 N ATOM 210 CA PHE A 14 9.744 3.305 5.069 1.00 30.20 C ATOM 211 C PHE A 14 8.756 2.624 6.011 1.00 3.23 C ATOM 212 O PHE A 14 7.588 2.993 6.021 1.00 1.22 O ATOM 213 CB PHE A 14 9.730 2.638 3.687 1.00 31.24 C ATOM 214 CG PHE A 14 8.406 2.740 2.960 1.00 61.12 C ATOM 215 CD1 PHE A 14 8.055 3.932 2.301 1.00 21.12 C ATOM 216 CD2 PHE A 14 7.525 1.644 2.935 1.00 54.41 C ATOM 217 CE1 PHE A 14 6.837 4.024 1.603 1.00 0.20 C ATOM 218 CE2 PHE A 14 6.319 1.728 2.224 1.00 23.40 C ATOM 219 CZ PHE A 14 5.972 2.916 1.557 1.00 11.20 C ATOM 0 H PHE A 14 11.777 2.899 4.971 1.00 4.22 H new ATOM 0 HA PHE A 14 9.423 4.342 4.965 1.00 30.20 H new ATOM 0 HB2 PHE A 14 10.506 3.091 3.070 1.00 31.24 H new ATOM 0 HB3 PHE A 14 9.988 1.585 3.802 1.00 31.24 H new ATOM 0 HD1 PHE A 14 8.723 4.780 2.331 1.00 21.12 H new ATOM 0 HD2 PHE A 14 7.777 0.737 3.464 1.00 54.41 H new ATOM 0 HE1 PHE A 14 6.567 4.943 1.104 1.00 0.20 H new ATOM 0 HE2 PHE A 14 5.655 0.877 2.189 1.00 23.40 H new ATOM 0 HZ PHE A 14 5.043 2.978 1.010 1.00 11.20 H new ATOM 229 N THR A 15 9.190 1.654 6.810 1.00 73.51 N ATOM 230 CA THR A 15 8.329 0.941 7.738 1.00 64.34 C ATOM 231 C THR A 15 8.387 1.519 9.158 1.00 72.13 C ATOM 232 O THR A 15 7.722 0.992 10.050 1.00 51.14 O ATOM 233 CB THR A 15 8.622 -0.561 7.637 1.00 71.43 C ATOM 234 OG1 THR A 15 10.012 -0.824 7.673 1.00 63.51 O ATOM 235 CG2 THR A 15 8.062 -1.085 6.309 1.00 44.05 C ATOM 0 H THR A 15 10.160 1.340 6.829 1.00 73.51 H new ATOM 0 HA THR A 15 7.285 1.083 7.457 1.00 64.34 H new ATOM 0 HB THR A 15 8.154 -1.057 8.487 1.00 71.43 H new ATOM 0 HG1 THR A 15 10.426 -0.511 6.842 1.00 63.51 H new ATOM 0 HG21 THR A 15 8.264 -2.153 6.225 1.00 44.05 H new ATOM 0 HG22 THR A 15 6.986 -0.916 6.276 1.00 44.05 H new ATOM 0 HG23 THR A 15 8.538 -0.559 5.481 1.00 44.05 H new ATOM 243 N SER A 16 9.147 2.594 9.388 1.00 12.33 N ATOM 244 CA SER A 16 9.340 3.178 10.705 1.00 70.43 C ATOM 245 C SER A 16 9.742 4.654 10.527 1.00 33.43 C ATOM 246 O SER A 16 10.870 5.026 10.873 1.00 63.55 O ATOM 247 CB SER A 16 10.388 2.312 11.446 1.00 13.13 C ATOM 248 OG SER A 16 10.188 2.271 12.846 1.00 25.10 O ATOM 0 H SER A 16 9.650 3.085 8.649 1.00 12.33 H new ATOM 0 HA SER A 16 8.436 3.181 11.315 1.00 70.43 H new ATOM 0 HB2 SER A 16 10.355 1.297 11.051 1.00 13.13 H new ATOM 0 HB3 SER A 16 11.384 2.703 11.239 1.00 13.13 H new ATOM 0 HG SER A 16 10.877 1.709 13.259 1.00 25.10 H new ATOM 254 N SER A 17 8.865 5.475 9.930 1.00 34.40 N ATOM 255 CA SER A 17 8.851 6.938 10.001 1.00 73.51 C ATOM 256 C SER A 17 7.772 7.458 9.054 1.00 1.33 C ATOM 257 O SER A 17 7.986 7.473 7.837 1.00 51.42 O ATOM 258 CB SER A 17 10.217 7.555 9.669 1.00 24.50 C ATOM 259 OG SER A 17 10.144 8.960 9.563 1.00 42.14 O ATOM 0 H SER A 17 8.106 5.112 9.353 1.00 34.40 H new ATOM 0 HA SER A 17 8.628 7.235 11.026 1.00 73.51 H new ATOM 0 HB2 SER A 17 10.936 7.285 10.443 1.00 24.50 H new ATOM 0 HB3 SER A 17 10.586 7.138 8.732 1.00 24.50 H new ATOM 0 HG SER A 17 10.238 9.360 10.452 1.00 42.14 H new ATOM 265 N ALA A 18 6.623 7.895 9.579 1.00 31.54 N ATOM 266 CA ALA A 18 5.517 8.334 8.737 1.00 13.01 C ATOM 267 C ALA A 18 5.914 9.500 7.831 1.00 75.41 C ATOM 268 O ALA A 18 5.513 9.511 6.666 1.00 14.21 O ATOM 269 CB ALA A 18 4.317 8.695 9.605 1.00 11.23 C ATOM 0 H ALA A 18 6.439 7.952 10.581 1.00 31.54 H new ATOM 0 HA ALA A 18 5.243 7.508 8.081 1.00 13.01 H new ATOM 0 HB1 ALA A 18 3.494 9.022 8.970 1.00 11.23 H new ATOM 0 HB2 ALA A 18 4.007 7.822 10.179 1.00 11.23 H new ATOM 0 HB3 ALA A 18 4.591 9.500 10.288 1.00 11.23 H new ATOM 275 N SER A 19 6.719 10.454 8.305 1.00 12.44 N ATOM 276 CA SER A 19 7.197 11.504 7.410 1.00 2.11 C ATOM 277 C SER A 19 8.057 10.904 6.288 1.00 74.15 C ATOM 278 O SER A 19 7.858 11.257 5.123 1.00 22.33 O ATOM 279 CB SER A 19 7.923 12.599 8.192 1.00 1.24 C ATOM 280 OG SER A 19 6.979 13.356 8.934 1.00 62.15 O ATOM 0 H SER A 19 7.043 10.520 9.270 1.00 12.44 H new ATOM 0 HA SER A 19 6.340 11.981 6.933 1.00 2.11 H new ATOM 0 HB2 SER A 19 8.658 12.155 8.864 1.00 1.24 H new ATOM 0 HB3 SER A 19 8.469 13.249 7.508 1.00 1.24 H new ATOM 0 HG SER A 19 7.444 14.057 9.437 1.00 62.15 H new ATOM 286 N PHE A 20 8.954 9.956 6.592 1.00 23.32 N ATOM 287 CA PHE A 20 9.765 9.304 5.570 1.00 4.24 C ATOM 288 C PHE A 20 8.890 8.573 4.553 1.00 60.35 C ATOM 289 O PHE A 20 9.078 8.807 3.355 1.00 34.10 O ATOM 290 CB PHE A 20 10.797 8.354 6.184 1.00 4.10 C ATOM 291 CG PHE A 20 11.719 7.702 5.170 1.00 33.03 C ATOM 292 CD1 PHE A 20 11.296 6.537 4.511 1.00 32.22 C ATOM 293 CD2 PHE A 20 12.993 8.230 4.894 1.00 74.13 C ATOM 294 CE1 PHE A 20 12.131 5.886 3.591 1.00 32.11 C ATOM 295 CE2 PHE A 20 13.830 7.585 3.964 1.00 55.32 C ATOM 296 CZ PHE A 20 13.406 6.411 3.316 1.00 74.41 C ATOM 0 H PHE A 20 9.132 9.627 7.541 1.00 23.32 H new ATOM 0 HA PHE A 20 10.312 10.088 5.046 1.00 4.24 H new ATOM 0 HB2 PHE A 20 11.400 8.906 6.905 1.00 4.10 H new ATOM 0 HB3 PHE A 20 10.273 7.574 6.737 1.00 4.10 H new ATOM 0 HD1 PHE A 20 10.314 6.136 4.715 1.00 32.22 H new ATOM 0 HD2 PHE A 20 13.328 9.127 5.394 1.00 74.13 H new ATOM 0 HE1 PHE A 20 11.796 4.986 3.096 1.00 32.11 H new ATOM 0 HE2 PHE A 20 14.805 7.995 3.746 1.00 55.32 H new ATOM 0 HZ PHE A 20 14.056 5.915 2.611 1.00 74.41 H new ATOM 306 N GLN A 21 7.976 7.684 4.983 1.00 15.30 N ATOM 307 CA GLN A 21 7.119 6.946 4.076 1.00 73.45 C ATOM 308 C GLN A 21 6.366 7.869 3.123 1.00 44.41 C ATOM 309 O GLN A 21 6.473 7.680 1.910 1.00 53.23 O ATOM 310 CB GLN A 21 6.294 5.880 4.790 1.00 11.42 C ATOM 311 CG GLN A 21 5.319 6.215 5.883 1.00 33.43 C ATOM 312 CD GLN A 21 5.423 5.206 7.030 1.00 75.32 C ATOM 313 OE1 GLN A 21 6.169 5.334 7.986 1.00 31.20 O ATOM 314 NE2 GLN A 21 4.680 4.137 6.941 1.00 50.14 N ATOM 0 H GLN A 21 7.822 7.467 5.968 1.00 15.30 H new ATOM 0 HA GLN A 21 7.749 6.356 3.410 1.00 73.45 H new ATOM 0 HB2 GLN A 21 5.731 5.353 4.020 1.00 11.42 H new ATOM 0 HB3 GLN A 21 7.003 5.167 5.211 1.00 11.42 H new ATOM 0 HG2 GLN A 21 5.516 7.220 6.257 1.00 33.43 H new ATOM 0 HG3 GLN A 21 4.305 6.216 5.484 1.00 33.43 H new ATOM 0 HE21 GLN A 21 4.052 4.017 6.147 1.00 50.14 H new ATOM 0 HE22 GLN A 21 4.728 3.421 7.666 1.00 50.14 H new ATOM 323 N TYR A 22 5.698 8.905 3.634 1.00 13.30 N ATOM 324 CA TYR A 22 5.005 9.889 2.801 1.00 2.34 C ATOM 325 C TYR A 22 5.909 10.540 1.748 1.00 73.32 C ATOM 326 O TYR A 22 5.486 10.665 0.592 1.00 43.35 O ATOM 327 CB TYR A 22 4.334 10.964 3.662 1.00 54.32 C ATOM 328 CG TYR A 22 3.031 10.531 4.301 1.00 24.41 C ATOM 329 CD1 TYR A 22 1.975 10.063 3.495 1.00 60.34 C ATOM 330 CD2 TYR A 22 2.859 10.618 5.694 1.00 23.43 C ATOM 331 CE1 TYR A 22 0.772 9.646 4.088 1.00 64.25 C ATOM 332 CE2 TYR A 22 1.667 10.184 6.292 1.00 34.34 C ATOM 333 CZ TYR A 22 0.614 9.692 5.490 1.00 53.05 C ATOM 334 OH TYR A 22 -0.546 9.251 6.045 1.00 41.42 O ATOM 0 H TYR A 22 5.622 9.085 4.635 1.00 13.30 H new ATOM 0 HA TYR A 22 4.240 9.334 2.258 1.00 2.34 H new ATOM 0 HB2 TYR A 22 5.026 11.268 4.447 1.00 54.32 H new ATOM 0 HB3 TYR A 22 4.147 11.843 3.044 1.00 54.32 H new ATOM 0 HD1 TYR A 22 2.090 10.025 2.422 1.00 60.34 H new ATOM 0 HD2 TYR A 22 3.651 11.022 6.308 1.00 23.43 H new ATOM 0 HE1 TYR A 22 -0.037 9.288 3.468 1.00 64.25 H new ATOM 0 HE2 TYR A 22 1.554 10.226 7.365 1.00 34.34 H new ATOM 0 HH TYR A 22 -0.500 9.347 7.019 1.00 41.42 H new ATOM 344 N SER A 23 7.148 10.916 2.084 1.00 14.24 N ATOM 345 CA SER A 23 8.071 11.522 1.124 1.00 41.03 C ATOM 346 C SER A 23 8.413 10.623 -0.079 1.00 53.34 C ATOM 347 O SER A 23 9.018 11.113 -1.035 1.00 63.43 O ATOM 348 CB SER A 23 9.367 11.948 1.828 1.00 43.22 C ATOM 349 OG SER A 23 9.153 12.956 2.800 1.00 60.41 O ATOM 0 H SER A 23 7.535 10.809 3.022 1.00 14.24 H new ATOM 0 HA SER A 23 7.547 12.389 0.722 1.00 41.03 H new ATOM 0 HB2 SER A 23 9.820 11.079 2.305 1.00 43.22 H new ATOM 0 HB3 SER A 23 10.078 12.310 1.085 1.00 43.22 H new ATOM 0 HG SER A 23 8.728 12.563 3.591 1.00 60.41 H new ATOM 355 N ARG A 24 8.061 9.330 -0.088 1.00 64.35 N ATOM 356 CA ARG A 24 8.410 8.443 -1.198 1.00 62.22 C ATOM 357 C ARG A 24 7.313 8.361 -2.259 1.00 1.32 C ATOM 358 O ARG A 24 7.442 7.533 -3.146 1.00 4.24 O ATOM 359 CB ARG A 24 8.756 7.024 -0.695 1.00 12.14 C ATOM 360 CG ARG A 24 9.706 6.928 0.508 1.00 22.10 C ATOM 361 CD ARG A 24 10.957 7.809 0.437 1.00 20.13 C ATOM 362 NE ARG A 24 11.866 7.459 -0.668 1.00 2.22 N ATOM 363 CZ ARG A 24 13.196 7.628 -0.657 1.00 11.53 C ATOM 364 NH1 ARG A 24 13.819 8.156 0.391 1.00 35.43 N ATOM 365 NH2 ARG A 24 13.902 7.267 -1.717 1.00 15.44 N ATOM 0 H ARG A 24 7.536 8.879 0.661 1.00 64.35 H new ATOM 0 HA ARG A 24 9.290 8.883 -1.667 1.00 62.22 H new ATOM 0 HB2 ARG A 24 7.825 6.520 -0.434 1.00 12.14 H new ATOM 0 HB3 ARG A 24 9.198 6.469 -1.522 1.00 12.14 H new ATOM 0 HG2 ARG A 24 9.150 7.190 1.408 1.00 22.10 H new ATOM 0 HG3 ARG A 24 10.020 5.890 0.618 1.00 22.10 H new ATOM 0 HD2 ARG A 24 10.652 8.850 0.329 1.00 20.13 H new ATOM 0 HD3 ARG A 24 11.499 7.732 1.380 1.00 20.13 H new ATOM 0 HE ARG A 24 11.451 7.056 -1.508 1.00 2.22 H new ATOM 0 HH11 ARG A 24 13.284 8.443 1.211 1.00 35.43 H new ATOM 0 HH12 ARG A 24 14.832 8.274 0.376 1.00 35.43 H new ATOM 0 HH21 ARG A 24 13.433 6.866 -2.529 1.00 15.44 H new ATOM 0 HH22 ARG A 24 14.915 7.390 -1.721 1.00 15.44 H new ATOM 379 N ILE A 25 6.194 9.080 -2.165 1.00 41.32 N ATOM 380 CA ILE A 25 4.953 8.633 -2.807 1.00 14.04 C ATOM 381 C ILE A 25 4.482 9.712 -3.778 1.00 32.52 C ATOM 382 O ILE A 25 4.189 10.827 -3.344 1.00 14.11 O ATOM 383 CB ILE A 25 3.911 8.255 -1.724 1.00 55.25 C ATOM 384 CG1 ILE A 25 4.517 7.256 -0.708 1.00 40.42 C ATOM 385 CG2 ILE A 25 2.660 7.650 -2.385 1.00 13.12 C ATOM 386 CD1 ILE A 25 3.615 6.927 0.474 1.00 2.32 C ATOM 0 H ILE A 25 6.119 9.962 -1.659 1.00 41.32 H new ATOM 0 HA ILE A 25 5.112 7.729 -3.396 1.00 14.04 H new ATOM 0 HB ILE A 25 3.626 9.159 -1.186 1.00 55.25 H new ATOM 0 HG12 ILE A 25 4.761 6.331 -1.230 1.00 40.42 H new ATOM 0 HG13 ILE A 25 5.454 7.666 -0.330 1.00 40.42 H new ATOM 0 HG21 ILE A 25 1.933 7.387 -1.616 1.00 13.12 H new ATOM 0 HG22 ILE A 25 2.220 8.378 -3.066 1.00 13.12 H new ATOM 0 HG23 ILE A 25 2.939 6.755 -2.941 1.00 13.12 H new ATOM 0 HD11 ILE A 25 4.121 6.221 1.132 1.00 2.32 H new ATOM 0 HD12 ILE A 25 3.390 7.840 1.025 1.00 2.32 H new ATOM 0 HD13 ILE A 25 2.687 6.484 0.112 1.00 2.32 H new ATOM 398 N LYS A 26 4.424 9.389 -5.080 1.00 2.02 N ATOM 399 CA LYS A 26 3.866 10.296 -6.086 1.00 52.03 C ATOM 400 C LYS A 26 2.404 10.586 -5.772 1.00 11.12 C ATOM 401 O LYS A 26 1.722 9.791 -5.125 1.00 64.55 O ATOM 402 CB LYS A 26 3.969 9.713 -7.514 1.00 75.51 C ATOM 403 CG LYS A 26 5.159 10.275 -8.300 1.00 20.11 C ATOM 404 CD LYS A 26 6.404 9.399 -8.144 1.00 24.22 C ATOM 405 CE LYS A 26 7.676 10.208 -8.375 1.00 53.13 C ATOM 406 NZ LYS A 26 7.809 10.722 -9.755 1.00 1.20 N ATOM 0 H LYS A 26 4.759 8.503 -5.458 1.00 2.02 H new ATOM 0 HA LYS A 26 4.450 11.215 -6.051 1.00 52.03 H new ATOM 0 HB2 LYS A 26 4.059 8.628 -7.453 1.00 75.51 H new ATOM 0 HB3 LYS A 26 3.048 9.926 -8.056 1.00 75.51 H new ATOM 0 HG2 LYS A 26 4.896 10.349 -9.355 1.00 20.11 H new ATOM 0 HG3 LYS A 26 5.379 11.285 -7.955 1.00 20.11 H new ATOM 0 HD2 LYS A 26 6.423 8.963 -7.145 1.00 24.22 H new ATOM 0 HD3 LYS A 26 6.362 8.572 -8.852 1.00 24.22 H new ATOM 0 HE2 LYS A 26 7.694 11.048 -7.680 1.00 53.13 H new ATOM 0 HE3 LYS A 26 8.540 9.585 -8.144 1.00 53.13 H new ATOM 0 HZ1 LYS A 26 8.694 11.261 -9.841 1.00 1.20 H new ATOM 0 HZ2 LYS A 26 7.823 9.925 -10.423 1.00 1.20 H new ATOM 0 HZ3 LYS A 26 7.003 11.342 -9.974 1.00 1.20 H new ATOM 420 N PHE A 27 1.902 11.706 -6.285 1.00 42.25 N ATOM 421 CA PHE A 27 0.501 12.071 -6.133 1.00 74.43 C ATOM 422 C PHE A 27 -0.019 12.822 -7.364 1.00 44.04 C ATOM 423 O PHE A 27 0.664 13.734 -7.840 1.00 35.30 O ATOM 424 CB PHE A 27 0.308 12.889 -4.852 1.00 42.12 C ATOM 425 CG PHE A 27 1.308 14.007 -4.603 1.00 51.31 C ATOM 426 CD1 PHE A 27 1.094 15.299 -5.115 1.00 42.24 C ATOM 427 CD2 PHE A 27 2.434 13.766 -3.794 1.00 3.22 C ATOM 428 CE1 PHE A 27 2.008 16.327 -4.825 1.00 0.40 C ATOM 429 CE2 PHE A 27 3.308 14.809 -3.451 1.00 32.30 C ATOM 430 CZ PHE A 27 3.104 16.092 -3.978 1.00 55.14 C ATOM 0 H PHE A 27 2.453 12.381 -6.815 1.00 42.25 H new ATOM 0 HA PHE A 27 -0.087 11.157 -6.049 1.00 74.43 H new ATOM 0 HB2 PHE A 27 -0.691 13.324 -4.872 1.00 42.12 H new ATOM 0 HB3 PHE A 27 0.341 12.206 -4.003 1.00 42.12 H new ATOM 0 HD1 PHE A 27 0.229 15.501 -5.730 1.00 42.24 H new ATOM 0 HD2 PHE A 27 2.628 12.767 -3.433 1.00 3.22 H new ATOM 0 HE1 PHE A 27 1.866 17.307 -5.257 1.00 0.40 H new ATOM 0 HE2 PHE A 27 4.136 14.624 -2.783 1.00 32.30 H new ATOM 0 HZ PHE A 27 3.785 16.894 -3.735 1.00 55.14 H new ATOM 440 N PRO A 28 -1.226 12.511 -7.870 1.00 71.52 N ATOM 441 CA PRO A 28 -2.045 11.357 -7.506 1.00 73.24 C ATOM 442 C PRO A 28 -1.395 10.046 -7.988 1.00 53.01 C ATOM 443 O PRO A 28 -0.384 10.066 -8.697 1.00 22.43 O ATOM 444 CB PRO A 28 -3.392 11.633 -8.171 1.00 40.02 C ATOM 445 CG PRO A 28 -3.020 12.389 -9.432 1.00 0.41 C ATOM 446 CD PRO A 28 -1.868 13.258 -8.944 1.00 14.01 C ATOM 0 HA PRO A 28 -2.154 11.228 -6.429 1.00 73.24 H new ATOM 0 HB2 PRO A 28 -3.923 10.709 -8.400 1.00 40.02 H new ATOM 0 HB3 PRO A 28 -4.043 12.224 -7.527 1.00 40.02 H new ATOM 0 HG2 PRO A 28 -2.715 11.719 -10.236 1.00 0.41 H new ATOM 0 HG3 PRO A 28 -3.850 12.985 -9.812 1.00 0.41 H new ATOM 0 HD2 PRO A 28 -1.165 13.462 -9.751 1.00 14.01 H new ATOM 0 HD3 PRO A 28 -2.231 14.221 -8.586 1.00 14.01 H new ATOM 454 N LEU A 29 -1.949 8.903 -7.579 1.00 73.14 N ATOM 455 CA LEU A 29 -1.381 7.583 -7.867 1.00 71.53 C ATOM 456 C LEU A 29 -1.944 7.005 -9.173 1.00 20.52 C ATOM 457 O LEU A 29 -2.645 7.700 -9.915 1.00 61.22 O ATOM 458 CB LEU A 29 -1.620 6.673 -6.649 1.00 62.43 C ATOM 459 CG LEU A 29 -0.746 7.096 -5.451 1.00 32.33 C ATOM 460 CD1 LEU A 29 -1.306 6.478 -4.179 1.00 2.21 C ATOM 461 CD2 LEU A 29 0.699 6.613 -5.601 1.00 52.34 C ATOM 0 H LEU A 29 -2.811 8.866 -7.035 1.00 73.14 H new ATOM 0 HA LEU A 29 -0.306 7.662 -8.029 1.00 71.53 H new ATOM 0 HB2 LEU A 29 -2.672 6.711 -6.365 1.00 62.43 H new ATOM 0 HB3 LEU A 29 -1.399 5.640 -6.916 1.00 62.43 H new ATOM 0 HG LEU A 29 -0.756 8.185 -5.409 1.00 32.33 H new ATOM 0 HD11 LEU A 29 -0.691 6.774 -3.329 1.00 2.21 H new ATOM 0 HD12 LEU A 29 -2.328 6.824 -4.026 1.00 2.21 H new ATOM 0 HD13 LEU A 29 -1.301 5.392 -4.269 1.00 2.21 H new ATOM 0 HD21 LEU A 29 1.281 6.932 -4.736 1.00 52.34 H new ATOM 0 HD22 LEU A 29 0.714 5.525 -5.667 1.00 52.34 H new ATOM 0 HD23 LEU A 29 1.132 7.038 -6.507 1.00 52.34 H new ATOM 473 N LYS A 30 -1.598 5.752 -9.482 1.00 31.31 N ATOM 474 CA LYS A 30 -1.990 5.041 -10.704 1.00 22.30 C ATOM 475 C LYS A 30 -3.027 3.928 -10.475 1.00 60.54 C ATOM 476 O LYS A 30 -3.463 3.308 -11.444 1.00 22.40 O ATOM 477 CB LYS A 30 -0.727 4.568 -11.425 1.00 51.23 C ATOM 478 CG LYS A 30 0.036 5.787 -11.980 1.00 21.32 C ATOM 479 CD LYS A 30 1.227 5.428 -12.869 1.00 34.30 C ATOM 480 CE LYS A 30 1.740 6.720 -13.515 1.00 72.34 C ATOM 481 NZ LYS A 30 2.943 6.514 -14.341 1.00 74.12 N ATOM 0 H LYS A 30 -1.016 5.184 -8.866 1.00 31.31 H new ATOM 0 HA LYS A 30 -2.522 5.737 -11.352 1.00 22.30 H new ATOM 0 HB2 LYS A 30 -0.091 4.010 -10.738 1.00 51.23 H new ATOM 0 HB3 LYS A 30 -0.991 3.891 -12.237 1.00 51.23 H new ATOM 0 HG2 LYS A 30 -0.656 6.406 -12.551 1.00 21.32 H new ATOM 0 HG3 LYS A 30 0.389 6.392 -11.145 1.00 21.32 H new ATOM 0 HD2 LYS A 30 2.014 4.957 -12.280 1.00 34.30 H new ATOM 0 HD3 LYS A 30 0.929 4.711 -13.634 1.00 34.30 H new ATOM 0 HE2 LYS A 30 0.951 7.149 -14.133 1.00 72.34 H new ATOM 0 HE3 LYS A 30 1.963 7.446 -12.734 1.00 72.34 H new ATOM 0 HZ1 LYS A 30 3.242 7.422 -14.751 1.00 74.12 H new ATOM 0 HZ2 LYS A 30 3.709 6.132 -13.750 1.00 74.12 H new ATOM 0 HZ3 LYS A 30 2.728 5.843 -15.106 1.00 74.12 H new ATOM 495 N SER A 31 -3.458 3.732 -9.228 1.00 42.24 N ATOM 496 CA SER A 31 -4.573 2.885 -8.799 1.00 21.34 C ATOM 497 C SER A 31 -5.814 3.758 -8.584 1.00 3.04 C ATOM 498 O SER A 31 -5.962 4.319 -7.492 1.00 64.11 O ATOM 499 CB SER A 31 -4.239 2.067 -7.535 1.00 61.45 C ATOM 500 OG SER A 31 -4.292 0.676 -7.780 1.00 50.22 O ATOM 0 H SER A 31 -3.007 4.192 -8.437 1.00 42.24 H new ATOM 0 HA SER A 31 -4.771 2.157 -9.585 1.00 21.34 H new ATOM 0 HB2 SER A 31 -3.244 2.336 -7.181 1.00 61.45 H new ATOM 0 HB3 SER A 31 -4.940 2.323 -6.741 1.00 61.45 H new ATOM 0 HG SER A 31 -3.922 0.194 -7.011 1.00 50.22 H new ATOM 506 N PRO A 32 -6.649 4.027 -9.601 1.00 40.31 N ATOM 507 CA PRO A 32 -7.961 4.592 -9.326 1.00 31.50 C ATOM 508 C PRO A 32 -8.779 3.609 -8.468 1.00 73.41 C ATOM 509 O PRO A 32 -8.553 2.394 -8.508 1.00 4.23 O ATOM 510 CB PRO A 32 -8.553 4.895 -10.703 1.00 54.21 C ATOM 511 CG PRO A 32 -7.950 3.805 -11.589 1.00 43.15 C ATOM 512 CD PRO A 32 -6.561 3.588 -10.988 1.00 40.25 C ATOM 0 HA PRO A 32 -7.943 5.509 -8.737 1.00 31.50 H new ATOM 0 HB2 PRO A 32 -9.642 4.849 -10.692 1.00 54.21 H new ATOM 0 HB3 PRO A 32 -8.280 5.892 -11.048 1.00 54.21 H new ATOM 0 HG2 PRO A 32 -8.545 2.892 -11.565 1.00 43.15 H new ATOM 0 HG3 PRO A 32 -7.892 4.120 -12.631 1.00 43.15 H new ATOM 0 HD2 PRO A 32 -6.270 2.539 -11.047 1.00 40.25 H new ATOM 0 HD3 PRO A 32 -5.808 4.159 -11.531 1.00 40.25 H new ATOM 520 N ILE A 33 -9.706 4.132 -7.659 1.00 4.31 N ATOM 521 CA ILE A 33 -10.469 3.341 -6.687 1.00 20.23 C ATOM 522 C ILE A 33 -11.805 2.974 -7.324 1.00 73.14 C ATOM 523 O ILE A 33 -12.698 3.817 -7.410 1.00 14.30 O ATOM 524 CB ILE A 33 -10.646 4.122 -5.362 1.00 20.24 C ATOM 525 CG1 ILE A 33 -9.277 4.468 -4.743 1.00 63.25 C ATOM 526 CG2 ILE A 33 -11.495 3.325 -4.347 1.00 0.02 C ATOM 527 CD1 ILE A 33 -9.388 5.469 -3.593 1.00 43.01 C ATOM 0 H ILE A 33 -9.950 5.122 -7.660 1.00 4.31 H new ATOM 0 HA ILE A 33 -9.933 2.427 -6.431 1.00 20.23 H new ATOM 0 HB ILE A 33 -11.172 5.047 -5.598 1.00 20.24 H new ATOM 0 HG12 ILE A 33 -8.805 3.555 -4.381 1.00 63.25 H new ATOM 0 HG13 ILE A 33 -8.626 4.878 -5.515 1.00 63.25 H new ATOM 0 HG21 ILE A 33 -11.600 3.902 -3.428 1.00 0.02 H new ATOM 0 HG22 ILE A 33 -12.481 3.133 -4.769 1.00 0.02 H new ATOM 0 HG23 ILE A 33 -11.004 2.377 -4.127 1.00 0.02 H new ATOM 0 HD11 ILE A 33 -8.395 5.677 -3.194 1.00 43.01 H new ATOM 0 HD12 ILE A 33 -9.833 6.394 -3.958 1.00 43.01 H new ATOM 0 HD13 ILE A 33 -10.015 5.050 -2.806 1.00 43.01 H new ATOM 539 N ALA A 34 -11.950 1.741 -7.807 1.00 32.51 N ATOM 540 CA ALA A 34 -13.207 1.235 -8.340 1.00 32.23 C ATOM 541 C ALA A 34 -13.876 0.419 -7.251 1.00 13.03 C ATOM 542 O ALA A 34 -13.303 -0.562 -6.787 1.00 31.33 O ATOM 543 CB ALA A 34 -12.963 0.365 -9.580 1.00 13.11 C ATOM 0 H ALA A 34 -11.190 1.062 -7.838 1.00 32.51 H new ATOM 0 HA ALA A 34 -13.844 2.066 -8.643 1.00 32.23 H new ATOM 0 HB1 ALA A 34 -13.916 -0.002 -9.961 1.00 13.11 H new ATOM 0 HB2 ALA A 34 -12.469 0.959 -10.349 1.00 13.11 H new ATOM 0 HB3 ALA A 34 -12.330 -0.481 -9.312 1.00 13.11 H new ATOM 549 N LEU A 35 -15.073 0.826 -6.829 1.00 44.15 N ATOM 550 CA LEU A 35 -15.992 0.038 -6.057 1.00 72.24 C ATOM 551 C LEU A 35 -17.189 -0.249 -6.926 1.00 50.23 C ATOM 552 O LEU A 35 -17.570 0.570 -7.771 1.00 51.42 O ATOM 553 CB LEU A 35 -16.434 0.882 -4.877 1.00 62.13 C ATOM 554 CG LEU A 35 -15.514 0.720 -3.674 1.00 43.41 C ATOM 555 CD1 LEU A 35 -14.031 0.404 -3.877 1.00 12.11 C ATOM 556 CD2 LEU A 35 -15.662 1.969 -2.818 1.00 32.30 C ATOM 0 H LEU A 35 -15.431 1.759 -7.033 1.00 44.15 H new ATOM 0 HA LEU A 35 -15.539 -0.892 -5.715 1.00 72.24 H new ATOM 0 HB2 LEU A 35 -16.460 1.931 -5.173 1.00 62.13 H new ATOM 0 HB3 LEU A 35 -17.450 0.605 -4.595 1.00 62.13 H new ATOM 0 HG LEU A 35 -15.858 -0.205 -3.212 1.00 43.41 H new ATOM 0 HD11 LEU A 35 -13.540 0.326 -2.907 1.00 12.11 H new ATOM 0 HD12 LEU A 35 -13.930 -0.540 -4.412 1.00 12.11 H new ATOM 0 HD13 LEU A 35 -13.565 1.201 -4.457 1.00 12.11 H new ATOM 0 HD21 LEU A 35 -15.016 1.890 -1.944 1.00 32.30 H new ATOM 0 HD22 LEU A 35 -15.378 2.845 -3.401 1.00 32.30 H new ATOM 0 HD23 LEU A 35 -16.698 2.068 -2.495 1.00 32.30 H new ATOM 568 N LEU A 36 -17.788 -1.397 -6.659 1.00 42.22 N ATOM 569 CA LEU A 36 -18.945 -1.896 -7.367 1.00 13.10 C ATOM 570 C LEU A 36 -20.207 -1.503 -6.605 1.00 71.21 C ATOM 571 O LEU A 36 -20.312 -1.720 -5.396 1.00 23.30 O ATOM 572 CB LEU A 36 -18.878 -3.419 -7.547 1.00 65.22 C ATOM 573 CG LEU A 36 -17.627 -3.972 -8.265 1.00 13.30 C ATOM 574 CD1 LEU A 36 -17.819 -5.464 -8.579 1.00 34.22 C ATOM 575 CD2 LEU A 36 -17.295 -3.199 -9.551 1.00 5.44 C ATOM 0 H LEU A 36 -17.469 -2.024 -5.920 1.00 42.22 H new ATOM 0 HA LEU A 36 -18.964 -1.452 -8.362 1.00 13.10 H new ATOM 0 HB2 LEU A 36 -18.939 -3.882 -6.562 1.00 65.22 H new ATOM 0 HB3 LEU A 36 -19.760 -3.736 -8.104 1.00 65.22 H new ATOM 0 HG LEU A 36 -16.783 -3.843 -7.588 1.00 13.30 H new ATOM 0 HD11 LEU A 36 -16.933 -5.846 -9.085 1.00 34.22 H new ATOM 0 HD12 LEU A 36 -17.972 -6.014 -7.651 1.00 34.22 H new ATOM 0 HD13 LEU A 36 -18.688 -5.591 -9.224 1.00 34.22 H new ATOM 0 HD21 LEU A 36 -16.408 -3.629 -10.015 1.00 5.44 H new ATOM 0 HD22 LEU A 36 -18.135 -3.266 -10.243 1.00 5.44 H new ATOM 0 HD23 LEU A 36 -17.107 -2.153 -9.309 1.00 5.44 H new ATOM 587 N LYS A 37 -21.177 -0.932 -7.316 1.00 5.43 N ATOM 588 CA LYS A 37 -22.544 -0.770 -6.847 1.00 45.30 C ATOM 589 C LYS A 37 -23.198 -2.128 -6.630 1.00 63.41 C ATOM 590 O LYS A 37 -22.801 -3.125 -7.234 1.00 14.12 O ATOM 591 CB LYS A 37 -23.343 -0.017 -7.921 1.00 24.35 C ATOM 592 CG LYS A 37 -23.052 1.482 -7.927 1.00 74.52 C ATOM 593 CD LYS A 37 -23.621 2.125 -9.199 1.00 33.34 C ATOM 594 CE LYS A 37 -24.237 3.493 -8.915 1.00 33.45 C ATOM 595 NZ LYS A 37 -23.224 4.458 -8.445 1.00 11.13 N ATOM 0 H LYS A 37 -21.027 -0.562 -8.255 1.00 5.43 H new ATOM 0 HA LYS A 37 -22.534 -0.221 -5.906 1.00 45.30 H new ATOM 0 HB2 LYS A 37 -23.109 -0.433 -8.901 1.00 24.35 H new ATOM 0 HB3 LYS A 37 -24.408 -0.176 -7.754 1.00 24.35 H new ATOM 0 HG2 LYS A 37 -23.492 1.949 -7.046 1.00 74.52 H new ATOM 0 HG3 LYS A 37 -21.977 1.652 -7.874 1.00 74.52 H new ATOM 0 HD2 LYS A 37 -22.828 2.230 -9.939 1.00 33.34 H new ATOM 0 HD3 LYS A 37 -24.376 1.469 -9.632 1.00 33.34 H new ATOM 0 HE2 LYS A 37 -24.711 3.874 -9.819 1.00 33.45 H new ATOM 0 HE3 LYS A 37 -25.020 3.391 -8.163 1.00 33.45 H new ATOM 0 HZ1 LYS A 37 -23.668 5.389 -8.311 1.00 11.13 H new ATOM 0 HZ2 LYS A 37 -22.825 4.131 -7.542 1.00 11.13 H new ATOM 0 HZ3 LYS A 37 -22.464 4.535 -9.151 1.00 11.13 H new ATOM 609 N ASP A 38 -24.352 -2.088 -5.973 1.00 64.13 N ATOM 610 CA ASP A 38 -25.416 -3.096 -5.978 1.00 62.21 C ATOM 611 C ASP A 38 -26.061 -3.315 -7.366 1.00 70.12 C ATOM 612 O ASP A 38 -27.106 -3.957 -7.481 1.00 4.15 O ATOM 613 CB ASP A 38 -26.455 -2.720 -4.909 1.00 3.12 C ATOM 614 CG ASP A 38 -27.090 -1.353 -5.142 1.00 14.21 C ATOM 615 OD1 ASP A 38 -26.510 -0.371 -4.626 1.00 1.31 O ATOM 616 OD2 ASP A 38 -28.136 -1.260 -5.828 1.00 45.01 O ATOM 0 H ASP A 38 -24.589 -1.294 -5.378 1.00 64.13 H new ATOM 0 HA ASP A 38 -24.969 -4.060 -5.735 1.00 62.21 H new ATOM 0 HB2 ASP A 38 -27.238 -3.478 -4.890 1.00 3.12 H new ATOM 0 HB3 ASP A 38 -25.978 -2.729 -3.929 1.00 3.12 H new ATOM 621 N ASP A 39 -25.440 -2.815 -8.439 1.00 1.41 N ATOM 622 CA ASP A 39 -25.641 -3.211 -9.841 1.00 21.35 C ATOM 623 C ASP A 39 -24.691 -4.370 -10.216 1.00 54.11 C ATOM 624 O ASP A 39 -24.422 -4.652 -11.385 1.00 12.15 O ATOM 625 CB ASP A 39 -25.432 -1.995 -10.739 1.00 25.12 C ATOM 626 CG ASP A 39 -26.059 -2.105 -12.141 1.00 5.34 C ATOM 627 OD1 ASP A 39 -26.653 -3.134 -12.546 1.00 44.30 O ATOM 628 OD2 ASP A 39 -26.012 -1.069 -12.844 1.00 1.42 O ATOM 0 H ASP A 39 -24.741 -2.078 -8.349 1.00 1.41 H new ATOM 0 HA ASP A 39 -26.660 -3.573 -9.981 1.00 21.35 H new ATOM 0 HB2 ASP A 39 -25.846 -1.119 -10.240 1.00 25.12 H new ATOM 0 HB3 ASP A 39 -24.361 -1.823 -10.849 1.00 25.12 H new ATOM 633 N GLY A 40 -24.093 -5.008 -9.208 1.00 72.31 N ATOM 634 CA GLY A 40 -23.141 -6.091 -9.341 1.00 12.14 C ATOM 635 C GLY A 40 -21.767 -5.557 -9.610 1.00 13.04 C ATOM 636 O GLY A 40 -20.905 -5.712 -8.754 1.00 1.33 O ATOM 0 H GLY A 40 -24.274 -4.765 -8.234 1.00 72.31 H new ATOM 0 HA2 GLY A 40 -23.132 -6.689 -8.429 1.00 12.14 H new ATOM 0 HA3 GLY A 40 -23.445 -6.752 -10.153 1.00 12.14 H new ATOM 640 N GLU A 41 -21.568 -5.015 -10.810 1.00 25.22 N ATOM 641 CA GLU A 41 -20.305 -4.735 -11.443 1.00 41.31 C ATOM 642 C GLU A 41 -20.484 -3.555 -12.391 1.00 74.31 C ATOM 643 O GLU A 41 -20.474 -3.675 -13.613 1.00 74.32 O ATOM 644 CB GLU A 41 -19.778 -5.999 -12.113 1.00 12.20 C ATOM 645 CG GLU A 41 -20.814 -6.759 -12.949 1.00 42.42 C ATOM 646 CD GLU A 41 -20.238 -7.980 -13.650 1.00 34.43 C ATOM 647 OE1 GLU A 41 -19.925 -8.972 -12.954 1.00 10.13 O ATOM 648 OE2 GLU A 41 -20.202 -8.002 -14.902 1.00 61.42 O ATOM 0 H GLU A 41 -22.354 -4.744 -11.401 1.00 25.22 H new ATOM 0 HA GLU A 41 -19.547 -4.444 -10.716 1.00 41.31 H new ATOM 0 HB2 GLU A 41 -18.939 -5.731 -12.755 1.00 12.20 H new ATOM 0 HB3 GLU A 41 -19.390 -6.667 -11.344 1.00 12.20 H new ATOM 0 HG2 GLU A 41 -21.634 -7.072 -12.303 1.00 42.42 H new ATOM 0 HG3 GLU A 41 -21.235 -6.085 -13.695 1.00 42.42 H new ATOM 655 N THR A 42 -20.721 -2.398 -11.799 1.00 14.41 N ATOM 656 CA THR A 42 -20.768 -1.108 -12.488 1.00 52.34 C ATOM 657 C THR A 42 -19.362 -0.694 -12.969 1.00 71.22 C ATOM 658 O THR A 42 -18.347 -1.300 -12.609 1.00 54.25 O ATOM 659 CB THR A 42 -21.394 -0.078 -11.524 1.00 12.12 C ATOM 660 OG1 THR A 42 -21.688 1.171 -12.112 1.00 35.43 O ATOM 661 CG2 THR A 42 -20.466 0.171 -10.331 1.00 70.12 C ATOM 0 H THR A 42 -20.892 -2.321 -10.796 1.00 14.41 H new ATOM 0 HA THR A 42 -21.384 -1.170 -13.385 1.00 52.34 H new ATOM 0 HB THR A 42 -22.339 -0.525 -11.215 1.00 12.12 H new ATOM 0 HG1 THR A 42 -21.320 1.889 -11.556 1.00 35.43 H new ATOM 0 HG21 THR A 42 -20.922 0.900 -9.661 1.00 70.12 H new ATOM 0 HG22 THR A 42 -20.304 -0.764 -9.794 1.00 70.12 H new ATOM 0 HG23 THR A 42 -19.510 0.555 -10.687 1.00 70.12 H new ATOM 669 N GLU A 43 -19.310 0.409 -13.709 1.00 71.55 N ATOM 670 CA GLU A 43 -18.125 1.195 -14.023 1.00 22.51 C ATOM 671 C GLU A 43 -18.225 2.495 -13.227 1.00 73.43 C ATOM 672 O GLU A 43 -19.110 3.328 -13.461 1.00 0.03 O ATOM 673 CB GLU A 43 -18.032 1.439 -15.535 1.00 55.41 C ATOM 674 CG GLU A 43 -17.366 0.254 -16.252 1.00 64.14 C ATOM 675 CD GLU A 43 -16.024 0.623 -16.893 1.00 1.11 C ATOM 676 OE1 GLU A 43 -15.992 1.501 -17.786 1.00 15.00 O ATOM 677 OE2 GLU A 43 -14.981 0.033 -16.531 1.00 4.12 O ATOM 0 H GLU A 43 -20.151 0.802 -14.132 1.00 71.55 H new ATOM 0 HA GLU A 43 -17.211 0.670 -13.745 1.00 22.51 H new ATOM 0 HB2 GLU A 43 -19.031 1.598 -15.942 1.00 55.41 H new ATOM 0 HB3 GLU A 43 -17.462 2.348 -15.724 1.00 55.41 H new ATOM 0 HG2 GLU A 43 -17.212 -0.556 -15.539 1.00 64.14 H new ATOM 0 HG3 GLU A 43 -18.039 -0.123 -17.022 1.00 64.14 H new ATOM 684 N GLN A 44 -17.375 2.624 -12.213 1.00 3.24 N ATOM 685 CA GLN A 44 -17.418 3.657 -11.193 1.00 42.23 C ATOM 686 C GLN A 44 -15.990 3.835 -10.672 1.00 15.12 C ATOM 687 O GLN A 44 -15.262 2.846 -10.574 1.00 72.42 O ATOM 688 CB GLN A 44 -18.391 3.131 -10.131 1.00 54.22 C ATOM 689 CG GLN A 44 -18.833 4.097 -9.039 1.00 1.34 C ATOM 690 CD GLN A 44 -17.734 4.545 -8.092 1.00 71.23 C ATOM 691 OE1 GLN A 44 -17.543 5.730 -7.878 1.00 20.11 O ATOM 692 NE2 GLN A 44 -16.975 3.619 -7.530 1.00 11.40 N ATOM 0 H GLN A 44 -16.599 1.976 -12.077 1.00 3.24 H new ATOM 0 HA GLN A 44 -17.759 4.633 -11.537 1.00 42.23 H new ATOM 0 HB2 GLN A 44 -19.284 2.771 -10.642 1.00 54.22 H new ATOM 0 HB3 GLN A 44 -17.929 2.269 -9.650 1.00 54.22 H new ATOM 0 HG2 GLN A 44 -19.268 4.979 -9.510 1.00 1.34 H new ATOM 0 HG3 GLN A 44 -19.624 3.625 -8.456 1.00 1.34 H new ATOM 0 HE21 GLN A 44 -17.149 2.632 -7.720 1.00 11.40 H new ATOM 0 HE22 GLN A 44 -16.215 3.892 -6.906 1.00 11.40 H new ATOM 701 N THR A 45 -15.586 5.063 -10.329 1.00 20.43 N ATOM 702 CA THR A 45 -14.244 5.357 -9.828 1.00 51.15 C ATOM 703 C THR A 45 -14.290 6.451 -8.764 1.00 11.33 C ATOM 704 O THR A 45 -15.203 7.272 -8.754 1.00 1.12 O ATOM 705 CB THR A 45 -13.296 5.778 -10.969 1.00 61.55 C ATOM 706 OG1 THR A 45 -13.711 6.959 -11.631 1.00 40.33 O ATOM 707 CG2 THR A 45 -13.130 4.684 -12.012 1.00 21.14 C ATOM 0 H THR A 45 -16.187 5.885 -10.393 1.00 20.43 H new ATOM 0 HA THR A 45 -13.857 4.442 -9.380 1.00 51.15 H new ATOM 0 HB THR A 45 -12.343 5.967 -10.475 1.00 61.55 H new ATOM 0 HG1 THR A 45 -13.072 7.177 -12.341 1.00 40.33 H new ATOM 0 HG21 THR A 45 -12.454 5.027 -12.795 1.00 21.14 H new ATOM 0 HG22 THR A 45 -12.717 3.792 -11.541 1.00 21.14 H new ATOM 0 HG23 THR A 45 -14.100 4.447 -12.449 1.00 21.14 H new ATOM 715 N PHE A 46 -13.267 6.524 -7.920 1.00 64.21 N ATOM 716 CA PHE A 46 -13.040 7.582 -6.929 1.00 63.55 C ATOM 717 C PHE A 46 -11.594 8.073 -7.059 1.00 63.53 C ATOM 718 O PHE A 46 -10.745 7.305 -7.524 1.00 75.51 O ATOM 719 CB PHE A 46 -13.320 7.072 -5.499 1.00 13.01 C ATOM 720 CG PHE A 46 -14.634 7.537 -4.895 1.00 35.54 C ATOM 721 CD1 PHE A 46 -15.847 7.156 -5.491 1.00 12.10 C ATOM 722 CD2 PHE A 46 -14.662 8.305 -3.712 1.00 53.05 C ATOM 723 CE1 PHE A 46 -17.075 7.522 -4.918 1.00 35.51 C ATOM 724 CE2 PHE A 46 -15.894 8.641 -3.113 1.00 63.54 C ATOM 725 CZ PHE A 46 -17.102 8.239 -3.710 1.00 54.21 C ATOM 0 H PHE A 46 -12.535 5.814 -7.904 1.00 64.21 H new ATOM 0 HA PHE A 46 -13.726 8.408 -7.117 1.00 63.55 H new ATOM 0 HB2 PHE A 46 -13.308 5.982 -5.510 1.00 13.01 H new ATOM 0 HB3 PHE A 46 -12.506 7.393 -4.849 1.00 13.01 H new ATOM 0 HD1 PHE A 46 -15.835 6.574 -6.401 1.00 12.10 H new ATOM 0 HD2 PHE A 46 -13.737 8.637 -3.264 1.00 53.05 H new ATOM 0 HE1 PHE A 46 -18.000 7.252 -5.406 1.00 35.51 H new ATOM 0 HE2 PHE A 46 -15.910 9.208 -2.194 1.00 63.54 H new ATOM 0 HZ PHE A 46 -18.045 8.480 -3.243 1.00 54.21 H new ATOM 735 N PRO A 47 -11.304 9.324 -6.656 1.00 74.24 N ATOM 736 CA PRO A 47 -9.984 9.932 -6.778 1.00 61.42 C ATOM 737 C PRO A 47 -9.008 9.392 -5.732 1.00 2.13 C ATOM 738 O PRO A 47 -9.419 8.858 -4.699 1.00 71.34 O ATOM 739 CB PRO A 47 -10.224 11.435 -6.610 1.00 20.30 C ATOM 740 CG PRO A 47 -11.426 11.488 -5.669 1.00 43.15 C ATOM 741 CD PRO A 47 -12.253 10.288 -6.113 1.00 23.53 C ATOM 0 HA PRO A 47 -9.521 9.701 -7.737 1.00 61.42 H new ATOM 0 HB2 PRO A 47 -9.355 11.937 -6.184 1.00 20.30 H new ATOM 0 HB3 PRO A 47 -10.436 11.919 -7.563 1.00 20.30 H new ATOM 0 HG2 PRO A 47 -11.126 11.409 -4.624 1.00 43.15 H new ATOM 0 HG3 PRO A 47 -11.980 12.421 -5.772 1.00 43.15 H new ATOM 0 HD2 PRO A 47 -12.804 9.863 -5.275 1.00 23.53 H new ATOM 0 HD3 PRO A 47 -12.988 10.577 -6.864 1.00 23.53 H new ATOM 749 N PHE A 48 -7.709 9.552 -5.976 1.00 24.11 N ATOM 750 CA PHE A 48 -6.625 8.811 -5.341 1.00 23.10 C ATOM 751 C PHE A 48 -5.504 9.798 -4.953 1.00 24.14 C ATOM 752 O PHE A 48 -4.753 10.246 -5.827 1.00 23.31 O ATOM 753 CB PHE A 48 -6.110 7.735 -6.334 1.00 54.41 C ATOM 754 CG PHE A 48 -6.367 8.033 -7.813 1.00 24.52 C ATOM 755 CD1 PHE A 48 -7.648 7.836 -8.356 1.00 23.31 C ATOM 756 CD2 PHE A 48 -5.369 8.573 -8.632 1.00 51.03 C ATOM 757 CE1 PHE A 48 -7.935 8.187 -9.683 1.00 73.35 C ATOM 758 CE2 PHE A 48 -5.653 8.972 -9.954 1.00 14.30 C ATOM 759 CZ PHE A 48 -6.944 8.770 -10.483 1.00 44.25 C ATOM 0 H PHE A 48 -7.369 10.234 -6.654 1.00 24.11 H new ATOM 0 HA PHE A 48 -6.971 8.312 -4.436 1.00 23.10 H new ATOM 0 HB2 PHE A 48 -5.037 7.612 -6.186 1.00 54.41 H new ATOM 0 HB3 PHE A 48 -6.577 6.782 -6.086 1.00 54.41 H new ATOM 0 HD1 PHE A 48 -8.425 7.407 -7.741 1.00 23.31 H new ATOM 0 HD2 PHE A 48 -4.367 8.686 -8.246 1.00 51.03 H new ATOM 0 HE1 PHE A 48 -8.920 8.008 -10.088 1.00 73.35 H new ATOM 0 HE2 PHE A 48 -4.885 9.430 -10.559 1.00 14.30 H new ATOM 0 HZ PHE A 48 -7.167 9.063 -11.498 1.00 44.25 H new ATOM 769 N THR A 49 -5.393 10.170 -3.681 1.00 33.20 N ATOM 770 CA THR A 49 -4.475 11.202 -3.178 1.00 55.33 C ATOM 771 C THR A 49 -3.868 10.770 -1.827 1.00 55.33 C ATOM 772 O THR A 49 -4.082 9.642 -1.381 1.00 42.41 O ATOM 773 CB THR A 49 -5.217 12.554 -3.108 1.00 35.23 C ATOM 774 OG1 THR A 49 -6.387 12.462 -2.315 1.00 71.34 O ATOM 775 CG2 THR A 49 -5.602 13.095 -4.493 1.00 34.30 C ATOM 0 H THR A 49 -5.957 9.750 -2.942 1.00 33.20 H new ATOM 0 HA THR A 49 -3.635 11.327 -3.861 1.00 55.33 H new ATOM 0 HB THR A 49 -4.513 13.249 -2.651 1.00 35.23 H new ATOM 0 HG1 THR A 49 -6.834 13.334 -2.289 1.00 71.34 H new ATOM 0 HG21 THR A 49 -6.121 14.047 -4.380 1.00 34.30 H new ATOM 0 HG22 THR A 49 -4.702 13.241 -5.090 1.00 34.30 H new ATOM 0 HG23 THR A 49 -6.257 12.382 -4.993 1.00 34.30 H new ATOM 783 N ARG A 50 -3.076 11.616 -1.158 1.00 54.05 N ATOM 784 CA ARG A 50 -2.502 11.314 0.167 1.00 15.20 C ATOM 785 C ARG A 50 -3.571 11.197 1.248 1.00 54.42 C ATOM 786 O ARG A 50 -3.393 10.436 2.192 1.00 72.33 O ATOM 787 CB ARG A 50 -1.449 12.381 0.484 1.00 53.41 C ATOM 788 CG ARG A 50 -0.762 12.362 1.858 1.00 32.50 C ATOM 789 CD ARG A 50 0.497 13.239 1.741 1.00 44.04 C ATOM 790 NE ARG A 50 0.932 13.825 3.022 1.00 64.34 N ATOM 791 CZ ARG A 50 1.296 15.104 3.214 1.00 22.22 C ATOM 792 NH1 ARG A 50 1.349 15.984 2.216 1.00 62.34 N ATOM 793 NH2 ARG A 50 1.642 15.508 4.419 1.00 43.32 N ATOM 0 H ARG A 50 -2.812 12.533 -1.518 1.00 54.05 H new ATOM 0 HA ARG A 50 -2.023 10.335 0.146 1.00 15.20 H new ATOM 0 HB2 ARG A 50 -0.670 12.310 -0.275 1.00 53.41 H new ATOM 0 HB3 ARG A 50 -1.922 13.356 0.366 1.00 53.41 H new ATOM 0 HG2 ARG A 50 -1.430 12.746 2.629 1.00 32.50 H new ATOM 0 HG3 ARG A 50 -0.498 11.344 2.144 1.00 32.50 H new ATOM 0 HD2 ARG A 50 1.310 12.639 1.331 1.00 44.04 H new ATOM 0 HD3 ARG A 50 0.304 14.043 1.031 1.00 44.04 H new ATOM 0 HE ARG A 50 0.959 13.206 3.832 1.00 64.34 H new ATOM 0 HH11 ARG A 50 1.109 15.695 1.268 1.00 62.34 H new ATOM 0 HH12 ARG A 50 1.630 16.947 2.400 1.00 62.34 H new ATOM 0 HH21 ARG A 50 1.633 14.851 5.199 1.00 43.32 H new ATOM 0 HH22 ARG A 50 1.919 16.478 4.572 1.00 43.32 H new ATOM 807 N GLU A 51 -4.726 11.833 1.045 1.00 0.23 N ATOM 808 CA GLU A 51 -5.908 11.874 1.915 1.00 0.11 C ATOM 809 C GLU A 51 -6.528 10.502 2.232 1.00 13.31 C ATOM 810 O GLU A 51 -7.584 10.425 2.854 1.00 33.20 O ATOM 811 CB GLU A 51 -6.956 12.729 1.182 1.00 71.33 C ATOM 812 CG GLU A 51 -7.876 13.558 2.088 1.00 14.13 C ATOM 813 CD GLU A 51 -7.622 15.049 1.872 1.00 32.54 C ATOM 814 OE1 GLU A 51 -7.884 15.545 0.750 1.00 42.32 O ATOM 815 OE2 GLU A 51 -7.048 15.703 2.776 1.00 75.45 O ATOM 0 H GLU A 51 -4.873 12.380 0.197 1.00 0.23 H new ATOM 0 HA GLU A 51 -5.597 12.280 2.878 1.00 0.11 H new ATOM 0 HB2 GLU A 51 -6.438 13.405 0.502 1.00 71.33 H new ATOM 0 HB3 GLU A 51 -7.573 12.072 0.569 1.00 71.33 H new ATOM 0 HG2 GLU A 51 -8.919 13.324 1.872 1.00 14.13 H new ATOM 0 HG3 GLU A 51 -7.701 13.299 3.132 1.00 14.13 H new ATOM 822 N LYS A 52 -5.946 9.415 1.736 1.00 62.22 N ATOM 823 CA LYS A 52 -6.492 8.067 1.704 1.00 31.10 C ATOM 824 C LYS A 52 -5.331 7.055 1.649 1.00 62.41 C ATOM 825 O LYS A 52 -5.550 5.889 1.317 1.00 53.45 O ATOM 826 CB LYS A 52 -7.506 7.949 0.547 1.00 51.44 C ATOM 827 CG LYS A 52 -7.199 8.826 -0.671 1.00 43.03 C ATOM 828 CD LYS A 52 -8.079 8.539 -1.879 1.00 4.01 C ATOM 829 CE LYS A 52 -9.592 8.648 -1.699 1.00 52.02 C ATOM 830 NZ LYS A 52 -10.014 9.980 -1.202 1.00 40.33 N ATOM 0 H LYS A 52 -5.017 9.458 1.318 1.00 62.22 H new ATOM 0 HA LYS A 52 -7.052 7.837 2.611 1.00 31.10 H new ATOM 0 HB2 LYS A 52 -7.549 6.908 0.226 1.00 51.44 H new ATOM 0 HB3 LYS A 52 -8.496 8.208 0.923 1.00 51.44 H new ATOM 0 HG2 LYS A 52 -7.315 9.873 -0.390 1.00 43.03 H new ATOM 0 HG3 LYS A 52 -6.156 8.686 -0.953 1.00 43.03 H new ATOM 0 HD2 LYS A 52 -7.786 9.222 -2.677 1.00 4.01 H new ATOM 0 HD3 LYS A 52 -7.855 7.530 -2.225 1.00 4.01 H new ATOM 0 HE2 LYS A 52 -10.083 8.448 -2.652 1.00 52.02 H new ATOM 0 HE3 LYS A 52 -9.927 7.881 -1.001 1.00 52.02 H new ATOM 0 HZ1 LYS A 52 -11.049 10.000 -1.098 1.00 40.33 H new ATOM 0 HZ2 LYS A 52 -9.569 10.163 -0.280 1.00 40.33 H new ATOM 0 HZ3 LYS A 52 -9.720 10.712 -1.879 1.00 40.33 H new ATOM 844 N TRP A 53 -4.082 7.476 1.908 1.00 40.42 N ATOM 845 CA TRP A 53 -2.969 6.550 2.102 1.00 32.12 C ATOM 846 C TRP A 53 -3.119 5.926 3.487 1.00 43.44 C ATOM 847 O TRP A 53 -3.321 6.666 4.453 1.00 31.21 O ATOM 848 CB TRP A 53 -1.623 7.286 2.033 1.00 44.13 C ATOM 849 CG TRP A 53 -0.411 6.433 2.310 1.00 20.13 C ATOM 850 CD1 TRP A 53 0.172 6.256 3.523 1.00 75.31 C ATOM 851 CD2 TRP A 53 0.334 5.574 1.391 1.00 72.14 C ATOM 852 NE1 TRP A 53 1.196 5.332 3.421 1.00 35.54 N ATOM 853 CE2 TRP A 53 1.282 4.819 2.145 1.00 62.15 C ATOM 854 CE3 TRP A 53 0.287 5.330 -0.001 1.00 20.44 C ATOM 855 CZ2 TRP A 53 2.065 3.806 1.567 1.00 34.52 C ATOM 856 CZ3 TRP A 53 1.143 4.388 -0.608 1.00 20.43 C ATOM 857 CH2 TRP A 53 2.013 3.606 0.176 1.00 2.40 C ATOM 0 H TRP A 53 -3.823 8.459 1.987 1.00 40.42 H new ATOM 0 HA TRP A 53 -2.987 5.793 1.318 1.00 32.12 H new ATOM 0 HB2 TRP A 53 -1.518 7.727 1.042 1.00 44.13 H new ATOM 0 HB3 TRP A 53 -1.640 8.109 2.748 1.00 44.13 H new ATOM 0 HD1 TRP A 53 -0.120 6.761 4.432 1.00 75.31 H new ATOM 0 HE1 TRP A 53 1.809 5.065 4.191 1.00 35.54 H new ATOM 0 HE3 TRP A 53 -0.418 5.875 -0.611 1.00 20.44 H new ATOM 0 HZ2 TRP A 53 2.700 3.188 2.184 1.00 34.52 H new ATOM 0 HZ3 TRP A 53 1.131 4.266 -1.681 1.00 20.43 H new ATOM 0 HH2 TRP A 53 2.637 2.857 -0.288 1.00 2.40 H new ATOM 868 N ALA A 54 -2.986 4.611 3.607 1.00 24.53 N ATOM 869 CA ALA A 54 -2.980 3.918 4.887 1.00 43.14 C ATOM 870 C ALA A 54 -1.548 3.499 5.221 1.00 31.14 C ATOM 871 O ALA A 54 -0.867 2.886 4.395 1.00 64.43 O ATOM 872 CB ALA A 54 -3.941 2.739 4.809 1.00 10.13 C ATOM 0 H ALA A 54 -2.878 3.988 2.806 1.00 24.53 H new ATOM 0 HA ALA A 54 -3.322 4.566 5.694 1.00 43.14 H new ATOM 0 HB1 ALA A 54 -3.946 2.210 5.762 1.00 10.13 H new ATOM 0 HB2 ALA A 54 -4.945 3.102 4.590 1.00 10.13 H new ATOM 0 HB3 ALA A 54 -3.620 2.060 4.019 1.00 10.13 H new ATOM 878 N LEU A 55 -1.074 3.864 6.411 1.00 41.42 N ATOM 879 CA LEU A 55 0.260 3.519 6.911 1.00 45.44 C ATOM 880 C LEU A 55 0.405 1.993 7.063 1.00 23.20 C ATOM 881 O LEU A 55 -0.594 1.278 7.151 1.00 1.32 O ATOM 882 CB LEU A 55 0.532 4.293 8.219 1.00 52.24 C ATOM 883 CG LEU A 55 0.653 5.819 7.985 1.00 55.11 C ATOM 884 CD1 LEU A 55 0.451 6.612 9.274 1.00 52.44 C ATOM 885 CD2 LEU A 55 1.987 6.213 7.340 1.00 53.12 C ATOM 0 H LEU A 55 -1.617 4.420 7.071 1.00 41.42 H new ATOM 0 HA LEU A 55 1.021 3.821 6.192 1.00 45.44 H new ATOM 0 HB2 LEU A 55 -0.273 4.099 8.927 1.00 52.24 H new ATOM 0 HB3 LEU A 55 1.452 3.923 8.673 1.00 52.24 H new ATOM 0 HG LEU A 55 -0.146 6.072 7.289 1.00 55.11 H new ATOM 0 HD11 LEU A 55 0.544 7.678 9.064 1.00 52.44 H new ATOM 0 HD12 LEU A 55 -0.541 6.407 9.676 1.00 52.44 H new ATOM 0 HD13 LEU A 55 1.206 6.319 10.004 1.00 52.44 H new ATOM 0 HD21 LEU A 55 2.018 7.293 7.199 1.00 53.12 H new ATOM 0 HD22 LEU A 55 2.809 5.908 7.988 1.00 53.12 H new ATOM 0 HD23 LEU A 55 2.084 5.718 6.374 1.00 53.12 H new ATOM 897 N LEU A 56 1.641 1.482 7.017 1.00 12.12 N ATOM 898 CA LEU A 56 1.985 0.045 6.967 1.00 43.23 C ATOM 899 C LEU A 56 2.985 -0.271 8.107 1.00 11.34 C ATOM 900 O LEU A 56 3.221 0.606 8.936 1.00 51.43 O ATOM 901 CB LEU A 56 2.541 -0.322 5.566 1.00 32.44 C ATOM 902 CG LEU A 56 1.647 -0.031 4.336 1.00 71.35 C ATOM 903 CD1 LEU A 56 2.426 0.140 3.022 1.00 12.11 C ATOM 904 CD2 LEU A 56 0.670 -1.189 4.138 1.00 44.02 C ATOM 0 H LEU A 56 2.468 2.079 7.013 1.00 12.12 H new ATOM 0 HA LEU A 56 1.096 -0.567 7.121 1.00 43.23 H new ATOM 0 HB2 LEU A 56 3.482 0.210 5.429 1.00 32.44 H new ATOM 0 HB3 LEU A 56 2.774 -1.387 5.566 1.00 32.44 H new ATOM 0 HG LEU A 56 1.144 0.912 4.551 1.00 71.35 H new ATOM 0 HD11 LEU A 56 1.728 0.341 2.209 1.00 12.11 H new ATOM 0 HD12 LEU A 56 3.122 0.974 3.117 1.00 12.11 H new ATOM 0 HD13 LEU A 56 2.981 -0.773 2.807 1.00 12.11 H new ATOM 0 HD21 LEU A 56 0.038 -0.988 3.273 1.00 44.02 H new ATOM 0 HD22 LEU A 56 1.227 -2.111 3.974 1.00 44.02 H new ATOM 0 HD23 LEU A 56 0.046 -1.295 5.026 1.00 44.02 H new ATOM 916 N ASP A 57 3.611 -1.458 8.161 1.00 1.32 N ATOM 917 CA ASP A 57 4.610 -1.870 9.175 1.00 31.12 C ATOM 918 C ASP A 57 5.682 -2.762 8.528 1.00 45.05 C ATOM 919 O ASP A 57 5.525 -3.193 7.382 1.00 54.25 O ATOM 920 CB ASP A 57 3.947 -2.645 10.328 1.00 42.45 C ATOM 921 CG ASP A 57 3.221 -1.771 11.348 1.00 4.33 C ATOM 922 OD1 ASP A 57 3.890 -1.166 12.219 1.00 23.52 O ATOM 923 OD2 ASP A 57 1.971 -1.779 11.330 1.00 74.34 O ATOM 0 H ASP A 57 3.431 -2.190 7.474 1.00 1.32 H new ATOM 0 HA ASP A 57 5.068 -0.965 9.575 1.00 31.12 H new ATOM 0 HB2 ASP A 57 3.236 -3.357 9.908 1.00 42.45 H new ATOM 0 HB3 ASP A 57 4.711 -3.225 10.845 1.00 42.45 H new ATOM 928 N GLU A 58 6.773 -3.056 9.254 1.00 45.12 N ATOM 929 CA GLU A 58 7.908 -3.873 8.787 1.00 64.15 C ATOM 930 C GLU A 58 7.409 -5.235 8.323 1.00 73.55 C ATOM 931 O GLU A 58 7.762 -5.693 7.236 1.00 63.31 O ATOM 932 CB GLU A 58 8.953 -4.125 9.885 1.00 71.14 C ATOM 933 CG GLU A 58 9.825 -2.956 10.356 1.00 50.33 C ATOM 934 CD GLU A 58 11.322 -3.275 10.432 1.00 10.04 C ATOM 935 OE1 GLU A 58 11.752 -4.106 11.269 1.00 24.24 O ATOM 936 OE2 GLU A 58 12.117 -2.677 9.662 1.00 41.33 O ATOM 0 H GLU A 58 6.894 -2.723 10.210 1.00 45.12 H new ATOM 0 HA GLU A 58 8.373 -3.311 7.977 1.00 64.15 H new ATOM 0 HB2 GLU A 58 8.428 -4.517 10.756 1.00 71.14 H new ATOM 0 HB3 GLU A 58 9.619 -4.913 9.532 1.00 71.14 H new ATOM 0 HG2 GLU A 58 9.679 -2.114 9.680 1.00 50.33 H new ATOM 0 HG3 GLU A 58 9.483 -2.637 11.341 1.00 50.33 H new ATOM 943 N GLU A 59 6.613 -5.873 9.182 1.00 34.52 N ATOM 944 CA GLU A 59 6.048 -7.199 8.962 1.00 30.42 C ATOM 945 C GLU A 59 5.126 -7.236 7.747 1.00 2.34 C ATOM 946 O GLU A 59 5.023 -8.288 7.115 1.00 50.12 O ATOM 947 CB GLU A 59 5.304 -7.730 10.203 1.00 64.51 C ATOM 948 CG GLU A 59 4.403 -6.708 10.918 1.00 14.40 C ATOM 949 CD GLU A 59 5.148 -6.086 12.098 1.00 24.50 C ATOM 950 OE1 GLU A 59 6.049 -5.236 11.910 1.00 5.11 O ATOM 951 OE2 GLU A 59 4.981 -6.591 13.229 1.00 22.14 O ATOM 0 H GLU A 59 6.337 -5.467 10.076 1.00 34.52 H new ATOM 0 HA GLU A 59 6.897 -7.855 8.768 1.00 30.42 H new ATOM 0 HB2 GLU A 59 4.693 -8.581 9.903 1.00 64.51 H new ATOM 0 HB3 GLU A 59 6.040 -8.102 10.916 1.00 64.51 H new ATOM 0 HG2 GLU A 59 4.098 -5.929 10.219 1.00 14.40 H new ATOM 0 HG3 GLU A 59 3.494 -7.196 11.269 1.00 14.40 H new ATOM 958 N THR A 60 4.469 -6.125 7.410 1.00 33.20 N ATOM 959 CA THR A 60 3.637 -6.042 6.225 1.00 41.11 C ATOM 960 C THR A 60 4.542 -6.099 4.988 1.00 61.14 C ATOM 961 O THR A 60 4.318 -6.934 4.106 1.00 64.53 O ATOM 962 CB THR A 60 2.779 -4.765 6.285 1.00 34.20 C ATOM 963 OG1 THR A 60 2.119 -4.637 7.532 1.00 5.31 O ATOM 964 CG2 THR A 60 1.730 -4.733 5.175 1.00 50.31 C ATOM 0 H THR A 60 4.503 -5.263 7.954 1.00 33.20 H new ATOM 0 HA THR A 60 2.944 -6.882 6.168 1.00 41.11 H new ATOM 0 HB THR A 60 3.469 -3.932 6.152 1.00 34.20 H new ATOM 0 HG1 THR A 60 1.585 -3.815 7.537 1.00 5.31 H new ATOM 0 HG21 THR A 60 1.146 -3.816 5.253 1.00 50.31 H new ATOM 0 HG22 THR A 60 2.226 -4.766 4.205 1.00 50.31 H new ATOM 0 HG23 THR A 60 1.069 -5.594 5.274 1.00 50.31 H new ATOM 972 N LEU A 61 5.579 -5.250 4.914 1.00 71.32 N ATOM 973 CA LEU A 61 6.454 -5.146 3.742 1.00 43.11 C ATOM 974 C LEU A 61 7.648 -6.101 3.846 1.00 14.14 C ATOM 975 O LEU A 61 8.786 -5.738 3.542 1.00 62.21 O ATOM 976 CB LEU A 61 6.937 -3.702 3.508 1.00 10.02 C ATOM 977 CG LEU A 61 5.959 -2.635 3.013 1.00 74.32 C ATOM 978 CD1 LEU A 61 5.259 -3.032 1.710 1.00 5.31 C ATOM 979 CD2 LEU A 61 4.959 -2.214 4.080 1.00 42.13 C ATOM 0 H LEU A 61 5.833 -4.615 5.670 1.00 71.32 H new ATOM 0 HA LEU A 61 5.856 -5.439 2.879 1.00 43.11 H new ATOM 0 HB2 LEU A 61 7.356 -3.345 4.449 1.00 10.02 H new ATOM 0 HB3 LEU A 61 7.756 -3.747 2.791 1.00 10.02 H new ATOM 0 HG LEU A 61 6.570 -1.760 2.789 1.00 74.32 H new ATOM 0 HD11 LEU A 61 4.577 -2.237 1.407 1.00 5.31 H new ATOM 0 HD12 LEU A 61 6.004 -3.189 0.930 1.00 5.31 H new ATOM 0 HD13 LEU A 61 4.697 -3.953 1.865 1.00 5.31 H new ATOM 0 HD21 LEU A 61 4.290 -1.455 3.673 1.00 42.13 H new ATOM 0 HD22 LEU A 61 4.377 -3.080 4.395 1.00 42.13 H new ATOM 0 HD23 LEU A 61 5.493 -1.805 4.938 1.00 42.13 H new ATOM 991 N LYS A 62 7.407 -7.329 4.290 1.00 24.53 N ATOM 992 CA LYS A 62 8.443 -8.335 4.457 1.00 25.34 C ATOM 993 C LYS A 62 8.414 -9.284 3.278 1.00 31.54 C ATOM 994 O LYS A 62 7.446 -9.329 2.530 1.00 62.32 O ATOM 995 CB LYS A 62 8.224 -9.079 5.782 1.00 70.13 C ATOM 996 CG LYS A 62 9.435 -8.879 6.697 1.00 44.13 C ATOM 997 CD LYS A 62 9.398 -9.687 7.993 1.00 34.21 C ATOM 998 CE LYS A 62 9.633 -11.185 7.754 1.00 63.23 C ATOM 999 NZ LYS A 62 10.143 -11.845 8.973 1.00 4.24 N ATOM 0 H LYS A 62 6.475 -7.656 4.546 1.00 24.53 H new ATOM 0 HA LYS A 62 9.425 -7.864 4.491 1.00 25.34 H new ATOM 0 HB2 LYS A 62 7.322 -8.711 6.271 1.00 70.13 H new ATOM 0 HB3 LYS A 62 8.072 -10.142 5.592 1.00 70.13 H new ATOM 0 HG2 LYS A 62 10.337 -9.144 6.146 1.00 44.13 H new ATOM 0 HG3 LYS A 62 9.513 -7.821 6.947 1.00 44.13 H new ATOM 0 HD2 LYS A 62 10.157 -9.307 8.677 1.00 34.21 H new ATOM 0 HD3 LYS A 62 8.432 -9.546 8.479 1.00 34.21 H new ATOM 0 HE2 LYS A 62 8.701 -11.657 7.444 1.00 63.23 H new ATOM 0 HE3 LYS A 62 10.345 -11.319 6.939 1.00 63.23 H new ATOM 0 HZ1 LYS A 62 10.293 -12.856 8.783 1.00 4.24 H new ATOM 0 HZ2 LYS A 62 11.044 -11.408 9.253 1.00 4.24 H new ATOM 0 HZ3 LYS A 62 9.451 -11.736 9.742 1.00 4.24 H new ATOM 1013 N GLU A 63 9.453 -10.097 3.156 1.00 53.03 N ATOM 1014 CA GLU A 63 9.579 -11.084 2.098 1.00 33.23 C ATOM 1015 C GLU A 63 9.664 -12.456 2.741 1.00 33.42 C ATOM 1016 O GLU A 63 10.681 -12.789 3.363 1.00 21.22 O ATOM 1017 CB GLU A 63 10.774 -10.807 1.177 1.00 25.11 C ATOM 1018 CG GLU A 63 11.036 -9.319 0.921 1.00 3.50 C ATOM 1019 CD GLU A 63 12.155 -8.769 1.820 1.00 12.23 C ATOM 1020 OE1 GLU A 63 12.074 -8.937 3.062 1.00 61.35 O ATOM 1021 OE2 GLU A 63 13.135 -8.206 1.266 1.00 41.14 O ATOM 0 H GLU A 63 10.244 -10.088 3.800 1.00 53.03 H new ATOM 0 HA GLU A 63 8.703 -11.033 1.452 1.00 33.23 H new ATOM 0 HB2 GLU A 63 11.667 -11.252 1.615 1.00 25.11 H new ATOM 0 HB3 GLU A 63 10.606 -11.305 0.222 1.00 25.11 H new ATOM 0 HG2 GLU A 63 11.306 -9.173 -0.125 1.00 3.50 H new ATOM 0 HG3 GLU A 63 10.120 -8.754 1.095 1.00 3.50 H new ATOM 1028 N GLY A 64 8.603 -13.249 2.621 1.00 12.31 N ATOM 1029 CA GLY A 64 8.511 -14.560 3.233 1.00 24.20 C ATOM 1030 C GLY A 64 7.091 -15.084 3.111 1.00 73.41 C ATOM 1031 O GLY A 64 6.390 -14.825 2.129 1.00 53.13 O ATOM 0 H GLY A 64 7.774 -12.990 2.087 1.00 12.31 H new ATOM 0 HA2 GLY A 64 9.205 -15.247 2.749 1.00 24.20 H new ATOM 0 HA3 GLY A 64 8.799 -14.503 4.283 1.00 24.20 H new ATOM 1035 N ARG A 65 6.681 -15.877 4.095 1.00 41.41 N ATOM 1036 CA ARG A 65 5.307 -16.196 4.418 1.00 64.34 C ATOM 1037 C ARG A 65 5.146 -16.055 5.931 1.00 25.40 C ATOM 1038 O ARG A 65 6.140 -15.983 6.663 1.00 33.13 O ATOM 1039 CB ARG A 65 5.001 -17.627 3.993 1.00 22.32 C ATOM 1040 CG ARG A 65 5.284 -17.899 2.513 1.00 14.00 C ATOM 1041 CD ARG A 65 4.708 -19.275 2.217 1.00 73.25 C ATOM 1042 NE ARG A 65 4.872 -19.674 0.811 1.00 74.25 N ATOM 1043 CZ ARG A 65 5.927 -20.327 0.317 1.00 63.21 C ATOM 1044 NH1 ARG A 65 7.035 -20.490 1.038 1.00 63.24 N ATOM 1045 NH2 ARG A 65 5.873 -20.828 -0.907 1.00 5.33 N ATOM 0 H ARG A 65 7.342 -16.338 4.721 1.00 41.41 H new ATOM 0 HA ARG A 65 4.621 -15.528 3.897 1.00 64.34 H new ATOM 0 HB2 ARG A 65 5.593 -18.312 4.600 1.00 22.32 H new ATOM 0 HB3 ARG A 65 3.953 -17.843 4.200 1.00 22.32 H new ATOM 0 HG2 ARG A 65 4.822 -17.140 1.882 1.00 14.00 H new ATOM 0 HG3 ARG A 65 6.355 -17.873 2.310 1.00 14.00 H new ATOM 0 HD2 ARG A 65 5.193 -20.012 2.857 1.00 73.25 H new ATOM 0 HD3 ARG A 65 3.648 -19.282 2.470 1.00 73.25 H new ATOM 0 HE ARG A 65 4.122 -19.433 0.163 1.00 74.25 H new ATOM 0 HH11 ARG A 65 7.088 -20.113 1.984 1.00 63.24 H new ATOM 0 HH12 ARG A 65 7.831 -20.992 0.644 1.00 63.24 H new ATOM 0 HH21 ARG A 65 5.029 -20.714 -1.468 1.00 5.33 H new ATOM 0 HH22 ARG A 65 6.676 -21.328 -1.289 1.00 5.33 H new ATOM 1059 N THR A 66 3.908 -16.078 6.390 1.00 24.24 N ATOM 1060 CA THR A 66 3.480 -15.938 7.769 1.00 12.42 C ATOM 1061 C THR A 66 2.358 -16.961 7.980 1.00 1.43 C ATOM 1062 O THR A 66 1.975 -17.684 7.047 1.00 53.21 O ATOM 1063 CB THR A 66 3.098 -14.450 7.967 1.00 12.12 C ATOM 1064 OG1 THR A 66 4.297 -13.711 7.812 1.00 23.43 O ATOM 1065 CG2 THR A 66 2.492 -14.058 9.316 1.00 54.15 C ATOM 0 H THR A 66 3.116 -16.205 5.760 1.00 24.24 H new ATOM 0 HA THR A 66 4.234 -16.155 8.525 1.00 12.42 H new ATOM 0 HB THR A 66 2.312 -14.244 7.240 1.00 12.12 H new ATOM 0 HG1 THR A 66 4.110 -12.756 7.927 1.00 23.43 H new ATOM 0 HG21 THR A 66 2.272 -12.990 9.320 1.00 54.15 H new ATOM 0 HG22 THR A 66 1.572 -14.619 9.478 1.00 54.15 H new ATOM 0 HG23 THR A 66 3.200 -14.285 10.113 1.00 54.15 H new ATOM 1146 N THR A 73 -1.963 -19.344 5.824 1.00 12.32 N ATOM 1147 CA THR A 73 -0.648 -19.024 5.290 1.00 32.21 C ATOM 1148 C THR A 73 -0.735 -17.758 4.422 1.00 52.04 C ATOM 1149 O THR A 73 -1.137 -17.844 3.260 1.00 13.24 O ATOM 1150 CB THR A 73 -0.140 -20.249 4.507 1.00 71.53 C ATOM 1151 OG1 THR A 73 -0.192 -21.406 5.324 1.00 11.40 O ATOM 1152 CG2 THR A 73 1.307 -20.073 4.034 1.00 31.31 C ATOM 0 HA THR A 73 0.064 -18.807 6.087 1.00 32.21 H new ATOM 0 HB THR A 73 -0.788 -20.354 3.637 1.00 71.53 H new ATOM 0 HG1 THR A 73 -0.938 -21.328 5.955 1.00 11.40 H new ATOM 0 HG21 THR A 73 1.622 -20.962 3.487 1.00 31.31 H new ATOM 0 HG22 THR A 73 1.373 -19.203 3.381 1.00 31.31 H new ATOM 0 HG23 THR A 73 1.957 -19.929 4.897 1.00 31.31 H new ATOM 1160 N TYR A 74 -0.385 -16.589 4.969 1.00 41.35 N ATOM 1161 CA TYR A 74 -0.298 -15.332 4.222 1.00 65.33 C ATOM 1162 C TYR A 74 1.117 -15.187 3.675 1.00 32.50 C ATOM 1163 O TYR A 74 2.101 -15.499 4.355 1.00 64.25 O ATOM 1164 CB TYR A 74 -0.612 -14.149 5.146 1.00 1.33 C ATOM 1165 CG TYR A 74 -0.841 -12.786 4.518 1.00 24.24 C ATOM 1166 CD1 TYR A 74 -1.802 -12.601 3.507 1.00 21.43 C ATOM 1167 CD2 TYR A 74 -0.178 -11.669 5.055 1.00 45.35 C ATOM 1168 CE1 TYR A 74 -2.113 -11.306 3.050 1.00 74.12 C ATOM 1169 CE2 TYR A 74 -0.472 -10.373 4.597 1.00 62.51 C ATOM 1170 CZ TYR A 74 -1.458 -10.185 3.609 1.00 21.12 C ATOM 1171 OH TYR A 74 -1.784 -8.916 3.235 1.00 2.41 O ATOM 0 H TYR A 74 -0.151 -16.489 5.957 1.00 41.35 H new ATOM 0 HA TYR A 74 -1.019 -15.341 3.404 1.00 65.33 H new ATOM 0 HB2 TYR A 74 -1.502 -14.404 5.721 1.00 1.33 H new ATOM 0 HB3 TYR A 74 0.210 -14.054 5.856 1.00 1.33 H new ATOM 0 HD1 TYR A 74 -2.304 -13.457 3.079 1.00 21.43 H new ATOM 0 HD2 TYR A 74 0.564 -11.808 5.827 1.00 45.35 H new ATOM 0 HE1 TYR A 74 -2.851 -11.169 2.273 1.00 74.12 H new ATOM 0 HE2 TYR A 74 0.057 -9.523 5.002 1.00 62.51 H new ATOM 0 HH TYR A 74 -2.479 -8.947 2.544 1.00 2.41 H new ATOM 1181 N ILE A 75 1.247 -14.675 2.465 1.00 71.42 N ATOM 1182 CA ILE A 75 2.487 -14.348 1.799 1.00 31.42 C ATOM 1183 C ILE A 75 2.555 -12.828 1.730 1.00 1.21 C ATOM 1184 O ILE A 75 1.528 -12.163 1.630 1.00 63.24 O ATOM 1185 CB ILE A 75 2.474 -15.021 0.412 1.00 23.33 C ATOM 1186 CG1 ILE A 75 2.335 -16.553 0.570 1.00 52.02 C ATOM 1187 CG2 ILE A 75 3.757 -14.724 -0.372 1.00 12.42 C ATOM 1188 CD1 ILE A 75 0.912 -17.075 0.427 1.00 25.40 C ATOM 0 H ILE A 75 0.434 -14.464 1.887 1.00 71.42 H new ATOM 0 HA ILE A 75 3.373 -14.709 2.321 1.00 31.42 H new ATOM 0 HB ILE A 75 1.625 -14.616 -0.139 1.00 23.33 H new ATOM 0 HG12 ILE A 75 2.964 -17.041 -0.174 1.00 52.02 H new ATOM 0 HG13 ILE A 75 2.718 -16.841 1.549 1.00 52.02 H new ATOM 0 HG21 ILE A 75 3.711 -15.215 -1.344 1.00 12.42 H new ATOM 0 HG22 ILE A 75 3.856 -13.648 -0.513 1.00 12.42 H new ATOM 0 HG23 ILE A 75 4.617 -15.098 0.183 1.00 12.42 H new ATOM 0 HD11 ILE A 75 0.907 -18.158 0.552 1.00 25.40 H new ATOM 0 HD12 ILE A 75 0.279 -16.619 1.188 1.00 25.40 H new ATOM 0 HD13 ILE A 75 0.529 -16.822 -0.562 1.00 25.40 H new ATOM 1200 N SER A 76 3.771 -12.300 1.788 1.00 10.41 N ATOM 1201 CA SER A 76 4.131 -10.913 1.549 1.00 71.55 C ATOM 1202 C SER A 76 5.521 -11.029 0.914 1.00 45.43 C ATOM 1203 O SER A 76 6.343 -11.815 1.408 1.00 72.32 O ATOM 1204 CB SER A 76 4.181 -10.167 2.895 1.00 22.13 C ATOM 1205 OG SER A 76 3.178 -9.191 3.096 1.00 31.43 O ATOM 0 H SER A 76 4.585 -12.870 2.019 1.00 10.41 H new ATOM 0 HA SER A 76 3.433 -10.362 0.919 1.00 71.55 H new ATOM 0 HB2 SER A 76 4.113 -10.901 3.698 1.00 22.13 H new ATOM 0 HB3 SER A 76 5.154 -9.684 2.985 1.00 22.13 H new ATOM 0 HG SER A 76 3.554 -8.433 3.591 1.00 31.43 H new ATOM 1211 N HIS A 77 5.781 -10.341 -0.200 1.00 14.34 N ATOM 1212 CA HIS A 77 7.065 -10.326 -0.903 1.00 4.22 C ATOM 1213 C HIS A 77 7.008 -9.323 -2.054 1.00 70.51 C ATOM 1214 O HIS A 77 5.950 -8.787 -2.384 1.00 22.21 O ATOM 1215 CB HIS A 77 7.431 -11.734 -1.428 1.00 53.04 C ATOM 1216 CG HIS A 77 6.383 -12.476 -2.236 1.00 2.14 C ATOM 1217 ND1 HIS A 77 5.283 -11.967 -2.882 1.00 31.20 N flip ATOM 1218 CD2 HIS A 77 6.398 -13.836 -2.461 1.00 31.41 C flip ATOM 1219 CE1 HIS A 77 4.654 -13.030 -3.534 1.00 25.32 C flip ATOM 1220 NE2 HIS A 77 5.364 -14.133 -3.265 1.00 72.14 N flip ATOM 0 H HIS A 77 5.077 -9.758 -0.653 1.00 14.34 H new ATOM 0 HA HIS A 77 7.842 -10.023 -0.201 1.00 4.22 H new ATOM 0 HB2 HIS A 77 8.326 -11.641 -2.043 1.00 53.04 H new ATOM 0 HB3 HIS A 77 7.696 -12.354 -0.571 1.00 53.04 H new ATOM 0 HD2 HIS A 77 7.115 -14.538 -2.061 1.00 31.41 H new ATOM 0 HE1 HIS A 77 3.763 -12.973 -4.141 1.00 25.32 H new ATOM 0 HE2 HIS A 77 5.150 -15.065 -3.620 1.00 72.14 H new ATOM 1228 N PHE A 78 8.143 -9.100 -2.715 1.00 63.34 N ATOM 1229 CA PHE A 78 8.156 -8.520 -4.043 1.00 10.11 C ATOM 1230 C PHE A 78 8.090 -9.663 -5.057 1.00 51.42 C ATOM 1231 O PHE A 78 8.512 -10.786 -4.759 1.00 70.42 O ATOM 1232 CB PHE A 78 9.382 -7.612 -4.203 1.00 42.22 C ATOM 1233 CG PHE A 78 10.722 -8.309 -4.147 1.00 53.52 C ATOM 1234 CD1 PHE A 78 11.315 -8.622 -2.914 1.00 13.42 C ATOM 1235 CD2 PHE A 78 11.376 -8.639 -5.341 1.00 51.55 C ATOM 1236 CE1 PHE A 78 12.552 -9.290 -2.876 1.00 52.22 C ATOM 1237 CE2 PHE A 78 12.601 -9.324 -5.311 1.00 12.14 C ATOM 1238 CZ PHE A 78 13.189 -9.650 -4.077 1.00 5.13 C ATOM 0 H PHE A 78 9.068 -9.316 -2.343 1.00 63.34 H new ATOM 0 HA PHE A 78 7.292 -7.878 -4.215 1.00 10.11 H new ATOM 0 HB2 PHE A 78 9.303 -7.090 -5.157 1.00 42.22 H new ATOM 0 HB3 PHE A 78 9.354 -6.853 -3.421 1.00 42.22 H new ATOM 0 HD1 PHE A 78 10.821 -8.350 -1.993 1.00 13.42 H new ATOM 0 HD2 PHE A 78 10.936 -8.365 -6.289 1.00 51.55 H new ATOM 0 HE1 PHE A 78 13.011 -9.526 -1.927 1.00 52.22 H new ATOM 0 HE2 PHE A 78 13.090 -9.600 -6.234 1.00 12.14 H new ATOM 0 HZ PHE A 78 14.131 -10.178 -4.051 1.00 5.13 H new ATOM 1248 N THR A 79 7.561 -9.385 -6.243 1.00 63.23 N ATOM 1249 CA THR A 79 7.153 -10.397 -7.220 1.00 13.00 C ATOM 1250 C THR A 79 7.867 -10.241 -8.564 1.00 24.53 C ATOM 1251 O THR A 79 7.575 -10.968 -9.513 1.00 52.21 O ATOM 1252 CB THR A 79 5.618 -10.356 -7.351 1.00 11.14 C ATOM 1253 OG1 THR A 79 5.130 -9.031 -7.234 1.00 65.21 O ATOM 1254 CG2 THR A 79 4.991 -11.181 -6.232 1.00 30.51 C ATOM 0 H THR A 79 7.399 -8.430 -6.562 1.00 63.23 H new ATOM 0 HA THR A 79 7.454 -11.382 -6.864 1.00 13.00 H new ATOM 0 HB THR A 79 5.357 -10.756 -8.331 1.00 11.14 H new ATOM 0 HG1 THR A 79 4.154 -9.033 -7.322 1.00 65.21 H new ATOM 0 HG21 THR A 79 3.905 -11.153 -6.324 1.00 30.51 H new ATOM 0 HG22 THR A 79 5.335 -12.213 -6.304 1.00 30.51 H new ATOM 0 HG23 THR A 79 5.285 -10.768 -5.267 1.00 30.51 H new ATOM 1262 N VAL A 80 8.840 -9.339 -8.634 1.00 3.20 N ATOM 1263 CA VAL A 80 9.591 -8.991 -9.827 1.00 44.42 C ATOM 1264 C VAL A 80 10.985 -8.579 -9.362 1.00 50.31 C ATOM 1265 O VAL A 80 11.116 -7.719 -8.492 1.00 50.31 O ATOM 1266 CB VAL A 80 8.834 -7.895 -10.611 1.00 71.53 C ATOM 1267 CG1 VAL A 80 8.297 -6.790 -9.702 1.00 12.44 C ATOM 1268 CG2 VAL A 80 9.741 -7.300 -11.698 1.00 43.53 C ATOM 0 H VAL A 80 9.138 -8.806 -7.817 1.00 3.20 H new ATOM 0 HA VAL A 80 9.696 -9.823 -10.523 1.00 44.42 H new ATOM 0 HB VAL A 80 7.971 -8.370 -11.078 1.00 71.53 H new ATOM 0 HG11 VAL A 80 7.774 -6.046 -10.303 1.00 12.44 H new ATOM 0 HG12 VAL A 80 7.607 -7.220 -8.976 1.00 12.44 H new ATOM 0 HG13 VAL A 80 9.126 -6.315 -9.178 1.00 12.44 H new ATOM 0 HG21 VAL A 80 9.197 -6.529 -12.244 1.00 43.53 H new ATOM 0 HG22 VAL A 80 10.625 -6.861 -11.235 1.00 43.53 H new ATOM 0 HG23 VAL A 80 10.046 -8.087 -12.388 1.00 43.53 H new ATOM 1278 N ASN A 81 12.035 -9.196 -9.900 1.00 62.14 N ATOM 1279 CA ASN A 81 13.395 -8.992 -9.419 1.00 5.54 C ATOM 1280 C ASN A 81 14.207 -8.298 -10.501 1.00 5.53 C ATOM 1281 O ASN A 81 15.090 -8.901 -11.108 1.00 64.22 O ATOM 1282 CB ASN A 81 13.992 -10.335 -8.955 1.00 64.34 C ATOM 1283 CG ASN A 81 15.380 -10.204 -8.337 1.00 4.13 C ATOM 1284 OD1 ASN A 81 16.287 -10.984 -8.629 1.00 22.13 O ATOM 1285 ND2 ASN A 81 15.579 -9.253 -7.438 1.00 45.34 N ATOM 0 H ASN A 81 11.965 -9.850 -10.680 1.00 62.14 H new ATOM 0 HA ASN A 81 13.409 -8.338 -8.547 1.00 5.54 H new ATOM 0 HB2 ASN A 81 13.320 -10.790 -8.227 1.00 64.34 H new ATOM 0 HB3 ASN A 81 14.045 -11.013 -9.807 1.00 64.34 H new ATOM 0 HD21 ASN A 81 16.487 -9.163 -6.983 1.00 45.34 H new ATOM 0 HD22 ASN A 81 14.824 -8.610 -7.200 1.00 45.34 H new ATOM 1292 N GLU A 82 13.921 -7.012 -10.708 1.00 30.33 N ATOM 1293 CA GLU A 82 14.726 -6.101 -11.521 1.00 73.15 C ATOM 1294 C GLU A 82 15.353 -5.052 -10.591 1.00 70.25 C ATOM 1295 O GLU A 82 14.794 -4.768 -9.525 1.00 21.40 O ATOM 1296 CB GLU A 82 13.846 -5.419 -12.581 1.00 63.34 C ATOM 1297 CG GLU A 82 13.406 -6.347 -13.719 1.00 4.42 C ATOM 1298 CD GLU A 82 14.504 -6.554 -14.764 1.00 71.11 C ATOM 1299 OE1 GLU A 82 15.633 -6.966 -14.420 1.00 12.24 O ATOM 1300 OE2 GLU A 82 14.248 -6.284 -15.961 1.00 44.35 O ATOM 0 H GLU A 82 13.099 -6.563 -10.303 1.00 30.33 H new ATOM 0 HA GLU A 82 15.510 -6.654 -12.039 1.00 73.15 H new ATOM 0 HB2 GLU A 82 12.959 -5.012 -12.095 1.00 63.34 H new ATOM 0 HB3 GLU A 82 14.393 -4.576 -13.004 1.00 63.34 H new ATOM 0 HG2 GLU A 82 13.117 -7.313 -13.305 1.00 4.42 H new ATOM 0 HG3 GLU A 82 12.523 -5.930 -14.203 1.00 4.42 H new ATOM 1307 N PRO A 83 16.489 -4.440 -10.970 1.00 14.33 N ATOM 1308 CA PRO A 83 17.234 -3.579 -10.061 1.00 11.40 C ATOM 1309 C PRO A 83 16.526 -2.254 -9.746 1.00 22.23 C ATOM 1310 O PRO A 83 16.840 -1.664 -8.712 1.00 51.53 O ATOM 1311 CB PRO A 83 18.598 -3.350 -10.726 1.00 50.12 C ATOM 1312 CG PRO A 83 18.327 -3.592 -12.209 1.00 14.51 C ATOM 1313 CD PRO A 83 17.245 -4.669 -12.193 1.00 42.15 C ATOM 0 HA PRO A 83 17.330 -4.060 -9.088 1.00 11.40 H new ATOM 0 HB2 PRO A 83 18.966 -2.340 -10.546 1.00 50.12 H new ATOM 0 HB3 PRO A 83 19.351 -4.037 -10.340 1.00 50.12 H new ATOM 0 HG2 PRO A 83 17.986 -2.686 -12.709 1.00 14.51 H new ATOM 0 HG3 PRO A 83 19.222 -3.928 -12.733 1.00 14.51 H new ATOM 0 HD2 PRO A 83 16.604 -4.594 -13.071 1.00 42.15 H new ATOM 0 HD3 PRO A 83 17.684 -5.667 -12.203 1.00 42.15 H new ATOM 1321 N ALA A 84 15.591 -1.787 -10.584 1.00 24.01 N ATOM 1322 CA ALA A 84 15.033 -0.437 -10.489 1.00 3.10 C ATOM 1323 C ALA A 84 13.519 -0.365 -10.735 1.00 52.13 C ATOM 1324 O ALA A 84 12.961 0.728 -10.830 1.00 34.33 O ATOM 1325 CB ALA A 84 15.778 0.461 -11.479 1.00 34.23 C ATOM 0 H ALA A 84 15.201 -2.339 -11.348 1.00 24.01 H new ATOM 0 HA ALA A 84 15.172 -0.097 -9.463 1.00 3.10 H new ATOM 0 HB1 ALA A 84 15.377 1.473 -11.425 1.00 34.23 H new ATOM 0 HB2 ALA A 84 16.839 0.477 -11.229 1.00 34.23 H new ATOM 0 HB3 ALA A 84 15.649 0.074 -12.490 1.00 34.23 H new ATOM 1331 N HIS A 85 12.838 -1.501 -10.886 1.00 51.53 N ATOM 1332 CA HIS A 85 11.414 -1.557 -11.184 1.00 71.03 C ATOM 1333 C HIS A 85 10.896 -2.804 -10.487 1.00 64.43 C ATOM 1334 O HIS A 85 11.132 -3.904 -10.977 1.00 72.12 O ATOM 1335 CB HIS A 85 11.233 -1.576 -12.713 1.00 25.21 C ATOM 1336 CG HIS A 85 9.830 -1.767 -13.237 1.00 10.10 C ATOM 1337 ND1 HIS A 85 8.670 -1.190 -12.767 1.00 65.23 N ATOM 1338 CD2 HIS A 85 9.487 -2.550 -14.306 1.00 2.20 C ATOM 1339 CE1 HIS A 85 7.647 -1.642 -13.506 1.00 30.30 C ATOM 1340 NE2 HIS A 85 8.098 -2.470 -14.462 1.00 62.11 N ATOM 0 H HIS A 85 13.271 -2.421 -10.803 1.00 51.53 H new ATOM 0 HA HIS A 85 10.850 -0.695 -10.826 1.00 71.03 H new ATOM 0 HB2 HIS A 85 11.618 -0.637 -13.111 1.00 25.21 H new ATOM 0 HB3 HIS A 85 11.857 -2.373 -13.118 1.00 25.21 H new ATOM 0 HD2 HIS A 85 10.165 -3.126 -14.918 1.00 2.20 H new ATOM 0 HE1 HIS A 85 6.611 -1.378 -13.354 1.00 30.30 H new ATOM 0 HE2 HIS A 85 7.537 -2.949 -15.166 1.00 62.11 H new ATOM 1348 N LYS A 86 10.293 -2.660 -9.304 1.00 13.22 N ATOM 1349 CA LYS A 86 9.774 -3.798 -8.546 1.00 25.44 C ATOM 1350 C LYS A 86 8.334 -3.491 -8.133 1.00 63.44 C ATOM 1351 O LYS A 86 7.864 -2.362 -8.260 1.00 13.22 O ATOM 1352 CB LYS A 86 10.692 -4.162 -7.347 1.00 54.52 C ATOM 1353 CG LYS A 86 12.124 -4.530 -7.783 1.00 10.54 C ATOM 1354 CD LYS A 86 13.056 -4.970 -6.637 1.00 3.24 C ATOM 1355 CE LYS A 86 14.150 -3.918 -6.377 1.00 63.24 C ATOM 1356 NZ LYS A 86 15.385 -4.500 -5.816 1.00 32.44 N ATOM 0 H LYS A 86 10.152 -1.758 -8.849 1.00 13.22 H new ATOM 0 HA LYS A 86 9.769 -4.690 -9.173 1.00 25.44 H new ATOM 0 HB2 LYS A 86 10.732 -3.319 -6.657 1.00 54.52 H new ATOM 0 HB3 LYS A 86 10.256 -5.000 -6.802 1.00 54.52 H new ATOM 0 HG2 LYS A 86 12.070 -5.334 -8.517 1.00 10.54 H new ATOM 0 HG3 LYS A 86 12.568 -3.670 -8.284 1.00 10.54 H new ATOM 0 HD2 LYS A 86 12.473 -5.125 -5.729 1.00 3.24 H new ATOM 0 HD3 LYS A 86 13.518 -5.925 -6.886 1.00 3.24 H new ATOM 0 HE2 LYS A 86 14.386 -3.408 -7.311 1.00 63.24 H new ATOM 0 HE3 LYS A 86 13.766 -3.163 -5.691 1.00 63.24 H new ATOM 0 HZ1 LYS A 86 16.085 -3.746 -5.662 1.00 32.44 H new ATOM 0 HZ2 LYS A 86 15.170 -4.963 -4.910 1.00 32.44 H new ATOM 0 HZ3 LYS A 86 15.771 -5.201 -6.480 1.00 32.44 H new ATOM 1370 N GLU A 87 7.602 -4.472 -7.634 1.00 53.01 N ATOM 1371 CA GLU A 87 6.315 -4.265 -6.986 1.00 24.32 C ATOM 1372 C GLU A 87 6.164 -5.345 -5.929 1.00 33.34 C ATOM 1373 O GLU A 87 6.950 -6.298 -5.891 1.00 3.30 O ATOM 1374 CB GLU A 87 5.134 -4.205 -7.974 1.00 34.51 C ATOM 1375 CG GLU A 87 5.242 -5.097 -9.208 1.00 53.24 C ATOM 1376 CD GLU A 87 3.907 -5.171 -9.959 1.00 33.10 C ATOM 1377 OE1 GLU A 87 3.526 -4.160 -10.588 1.00 21.14 O ATOM 1378 OE2 GLU A 87 3.229 -6.229 -9.935 1.00 73.55 O ATOM 0 H GLU A 87 7.888 -5.450 -7.667 1.00 53.01 H new ATOM 0 HA GLU A 87 6.293 -3.282 -6.515 1.00 24.32 H new ATOM 0 HB2 GLU A 87 4.224 -4.472 -7.437 1.00 34.51 H new ATOM 0 HB3 GLU A 87 5.017 -3.173 -8.306 1.00 34.51 H new ATOM 0 HG2 GLU A 87 6.015 -4.711 -9.872 1.00 53.24 H new ATOM 0 HG3 GLU A 87 5.550 -6.099 -8.910 1.00 53.24 H new ATOM 1385 N PHE A 88 5.255 -5.111 -4.990 1.00 64.23 N ATOM 1386 CA PHE A 88 5.053 -5.878 -3.780 1.00 43.44 C ATOM 1387 C PHE A 88 3.620 -6.382 -3.792 1.00 34.42 C ATOM 1388 O PHE A 88 2.708 -5.619 -4.117 1.00 21.51 O ATOM 1389 CB PHE A 88 5.352 -4.997 -2.564 1.00 41.44 C ATOM 1390 CG PHE A 88 5.422 -5.749 -1.255 1.00 63.52 C ATOM 1391 CD1 PHE A 88 4.232 -6.068 -0.573 1.00 62.53 C ATOM 1392 CD2 PHE A 88 6.669 -6.142 -0.724 1.00 30.24 C ATOM 1393 CE1 PHE A 88 4.285 -6.808 0.617 1.00 74.45 C ATOM 1394 CE2 PHE A 88 6.716 -6.873 0.475 1.00 23.44 C ATOM 1395 CZ PHE A 88 5.523 -7.222 1.125 1.00 70.12 C ATOM 0 H PHE A 88 4.602 -4.331 -5.064 1.00 64.23 H new ATOM 0 HA PHE A 88 5.726 -6.734 -3.725 1.00 43.44 H new ATOM 0 HB2 PHE A 88 6.300 -4.483 -2.726 1.00 41.44 H new ATOM 0 HB3 PHE A 88 4.582 -4.229 -2.488 1.00 41.44 H new ATOM 0 HD1 PHE A 88 3.280 -5.743 -0.966 1.00 62.53 H new ATOM 0 HD2 PHE A 88 7.583 -5.882 -1.237 1.00 30.24 H new ATOM 0 HE1 PHE A 88 3.374 -7.058 1.140 1.00 74.45 H new ATOM 0 HE2 PHE A 88 7.667 -7.165 0.895 1.00 23.44 H new ATOM 0 HZ PHE A 88 5.559 -7.816 2.026 1.00 70.12 H new ATOM 1405 N GLU A 89 3.434 -7.637 -3.404 1.00 41.11 N ATOM 1406 CA GLU A 89 2.165 -8.335 -3.297 1.00 70.12 C ATOM 1407 C GLU A 89 2.100 -8.923 -1.888 1.00 25.40 C ATOM 1408 O GLU A 89 3.131 -9.327 -1.332 1.00 10.11 O ATOM 1409 CB GLU A 89 2.107 -9.464 -4.344 1.00 54.05 C ATOM 1410 CG GLU A 89 1.636 -8.976 -5.725 1.00 41.04 C ATOM 1411 CD GLU A 89 1.522 -10.092 -6.782 1.00 23.53 C ATOM 1412 OE1 GLU A 89 1.308 -11.279 -6.441 1.00 32.33 O ATOM 1413 OE2 GLU A 89 1.568 -9.793 -8.002 1.00 44.21 O ATOM 0 H GLU A 89 4.219 -8.231 -3.139 1.00 41.11 H new ATOM 0 HA GLU A 89 1.326 -7.662 -3.475 1.00 70.12 H new ATOM 0 HB2 GLU A 89 3.095 -9.914 -4.441 1.00 54.05 H new ATOM 0 HB3 GLU A 89 1.434 -10.246 -3.991 1.00 54.05 H new ATOM 0 HG2 GLU A 89 0.665 -8.493 -5.616 1.00 41.04 H new ATOM 0 HG3 GLU A 89 2.330 -8.218 -6.087 1.00 41.04 H new ATOM 1420 N ALA A 90 0.896 -9.001 -1.323 1.00 13.43 N ATOM 1421 CA ALA A 90 0.607 -9.867 -0.196 1.00 34.40 C ATOM 1422 C ALA A 90 -0.789 -10.460 -0.372 1.00 44.31 C ATOM 1423 O ALA A 90 -1.697 -9.779 -0.865 1.00 41.31 O ATOM 1424 CB ALA A 90 0.708 -9.092 1.120 1.00 14.24 C ATOM 0 H ALA A 90 0.093 -8.459 -1.641 1.00 13.43 H new ATOM 0 HA ALA A 90 1.339 -10.674 -0.159 1.00 34.40 H new ATOM 0 HB1 ALA A 90 0.488 -9.759 1.953 1.00 14.24 H new ATOM 0 HB2 ALA A 90 1.716 -8.694 1.231 1.00 14.24 H new ATOM 0 HB3 ALA A 90 -0.008 -8.270 1.114 1.00 14.24 H new ATOM 1430 N GLY A 91 -0.968 -11.704 0.065 1.00 45.45 N ATOM 1431 CA GLY A 91 -2.177 -12.493 -0.138 1.00 74.24 C ATOM 1432 C GLY A 91 -1.993 -13.915 0.370 1.00 32.23 C ATOM 1433 O GLY A 91 -0.874 -14.321 0.683 1.00 50.44 O ATOM 0 H GLY A 91 -0.250 -12.206 0.588 1.00 45.45 H new ATOM 0 HA2 GLY A 91 -3.013 -12.023 0.380 1.00 74.24 H new ATOM 0 HA3 GLY A 91 -2.429 -12.512 -1.198 1.00 74.24 H new ATOM 1437 N TYR A 92 -3.084 -14.669 0.499 1.00 50.04 N ATOM 1438 CA TYR A 92 -3.033 -16.022 1.043 1.00 5.03 C ATOM 1439 C TYR A 92 -2.615 -17.052 -0.007 1.00 71.14 C ATOM 1440 O TYR A 92 -2.707 -16.819 -1.217 1.00 51.04 O ATOM 1441 CB TYR A 92 -4.366 -16.350 1.727 1.00 70.44 C ATOM 1442 CG TYR A 92 -4.447 -15.689 3.086 1.00 32.10 C ATOM 1443 CD1 TYR A 92 -4.875 -14.353 3.216 1.00 53.05 C ATOM 1444 CD2 TYR A 92 -3.984 -16.387 4.213 1.00 62.44 C ATOM 1445 CE1 TYR A 92 -4.830 -13.707 4.464 1.00 51.35 C ATOM 1446 CE2 TYR A 92 -3.930 -15.746 5.457 1.00 54.24 C ATOM 1447 CZ TYR A 92 -4.351 -14.411 5.590 1.00 74.13 C ATOM 1448 OH TYR A 92 -4.258 -13.837 6.814 1.00 72.41 O ATOM 0 H TYR A 92 -4.019 -14.361 0.232 1.00 50.04 H new ATOM 0 HA TYR A 92 -2.252 -16.071 1.802 1.00 5.03 H new ATOM 0 HB2 TYR A 92 -5.193 -16.012 1.103 1.00 70.44 H new ATOM 0 HB3 TYR A 92 -4.469 -17.430 1.836 1.00 70.44 H new ATOM 0 HD1 TYR A 92 -5.241 -13.821 2.350 1.00 53.05 H new ATOM 0 HD2 TYR A 92 -3.670 -17.416 4.121 1.00 62.44 H new ATOM 0 HE1 TYR A 92 -5.159 -12.683 4.560 1.00 51.35 H new ATOM 0 HE2 TYR A 92 -3.562 -16.281 6.320 1.00 54.24 H new ATOM 0 HH TYR A 92 -3.906 -14.489 7.455 1.00 72.41 H new ATOM 1458 N ASP A 93 -2.120 -18.200 0.462 1.00 5.10 N ATOM 1459 CA ASP A 93 -1.633 -19.266 -0.410 1.00 45.15 C ATOM 1460 C ASP A 93 -2.822 -19.840 -1.180 1.00 71.44 C ATOM 1461 O ASP A 93 -3.882 -20.073 -0.597 1.00 73.32 O ATOM 1462 CB ASP A 93 -0.821 -20.324 0.364 1.00 72.45 C ATOM 1463 CG ASP A 93 -1.420 -21.733 0.396 1.00 74.25 C ATOM 1464 OD1 ASP A 93 -1.328 -22.443 -0.636 1.00 41.41 O ATOM 1465 OD2 ASP A 93 -1.802 -22.225 1.480 1.00 5.10 O ATOM 0 H ASP A 93 -2.047 -18.414 1.457 1.00 5.10 H new ATOM 0 HA ASP A 93 -0.923 -18.863 -1.132 1.00 45.15 H new ATOM 0 HB2 ASP A 93 0.175 -20.383 -0.075 1.00 72.45 H new ATOM 0 HB3 ASP A 93 -0.697 -19.979 1.391 1.00 72.45 H new ATOM 1470 N GLU A 94 -2.650 -20.023 -2.490 1.00 41.05 N ATOM 1471 CA GLU A 94 -3.677 -20.371 -3.471 1.00 31.40 C ATOM 1472 C GLU A 94 -4.809 -19.338 -3.629 1.00 13.31 C ATOM 1473 O GLU A 94 -5.711 -19.574 -4.439 1.00 74.15 O ATOM 1474 CB GLU A 94 -4.166 -21.822 -3.270 1.00 31.51 C ATOM 1475 CG GLU A 94 -3.349 -22.865 -4.051 1.00 71.32 C ATOM 1476 CD GLU A 94 -3.648 -22.864 -5.556 1.00 41.02 C ATOM 1477 OE1 GLU A 94 -3.219 -21.914 -6.255 1.00 5.21 O ATOM 1478 OE2 GLU A 94 -4.294 -23.829 -6.035 1.00 34.12 O ATOM 0 H GLU A 94 -1.731 -19.926 -2.921 1.00 41.05 H new ATOM 0 HA GLU A 94 -3.190 -20.328 -4.445 1.00 31.40 H new ATOM 0 HB2 GLU A 94 -4.128 -22.065 -2.208 1.00 31.51 H new ATOM 0 HB3 GLU A 94 -5.210 -21.889 -3.575 1.00 31.51 H new ATOM 0 HG2 GLU A 94 -2.287 -22.674 -3.898 1.00 71.32 H new ATOM 0 HG3 GLU A 94 -3.556 -23.856 -3.647 1.00 71.32 H new ATOM 1485 N SER A 95 -4.747 -18.182 -2.961 1.00 73.34 N ATOM 1486 CA SER A 95 -5.749 -17.125 -3.031 1.00 51.22 C ATOM 1487 C SER A 95 -5.240 -15.878 -3.765 1.00 3.42 C ATOM 1488 O SER A 95 -4.048 -15.710 -4.017 1.00 64.15 O ATOM 1489 CB SER A 95 -6.161 -16.765 -1.603 1.00 22.34 C ATOM 1490 OG SER A 95 -6.811 -17.853 -0.964 1.00 44.31 O ATOM 0 H SER A 95 -3.972 -17.953 -2.338 1.00 73.34 H new ATOM 0 HA SER A 95 -6.601 -17.493 -3.603 1.00 51.22 H new ATOM 0 HB2 SER A 95 -5.280 -16.477 -1.030 1.00 22.34 H new ATOM 0 HB3 SER A 95 -6.826 -15.901 -1.621 1.00 22.34 H new ATOM 0 HG SER A 95 -7.061 -17.595 -0.052 1.00 44.31 H new ATOM 1496 N GLU A 96 -6.185 -14.998 -4.106 1.00 41.12 N ATOM 1497 CA GLU A 96 -5.955 -13.680 -4.695 1.00 73.15 C ATOM 1498 C GLU A 96 -5.412 -12.710 -3.638 1.00 1.31 C ATOM 1499 O GLU A 96 -5.619 -12.932 -2.440 1.00 61.12 O ATOM 1500 CB GLU A 96 -7.231 -13.200 -5.411 1.00 12.32 C ATOM 1501 CG GLU A 96 -8.401 -12.960 -4.447 1.00 22.22 C ATOM 1502 CD GLU A 96 -9.765 -13.282 -5.070 1.00 70.31 C ATOM 1503 OE1 GLU A 96 -10.029 -14.492 -5.292 1.00 61.31 O ATOM 1504 OE2 GLU A 96 -10.583 -12.354 -5.309 1.00 50.45 O ATOM 0 H GLU A 96 -7.177 -15.196 -3.972 1.00 41.12 H new ATOM 0 HA GLU A 96 -5.182 -13.732 -5.462 1.00 73.15 H new ATOM 0 HB2 GLU A 96 -7.015 -12.277 -5.949 1.00 12.32 H new ATOM 0 HB3 GLU A 96 -7.525 -13.941 -6.154 1.00 12.32 H new ATOM 0 HG2 GLU A 96 -8.261 -13.571 -3.555 1.00 22.22 H new ATOM 0 HG3 GLU A 96 -8.391 -11.919 -4.125 1.00 22.22 H new ATOM 1511 N PRO A 97 -4.703 -11.625 -4.027 1.00 24.53 N ATOM 1512 CA PRO A 97 -4.032 -10.746 -3.077 1.00 5.01 C ATOM 1513 C PRO A 97 -4.996 -9.875 -2.270 1.00 33.54 C ATOM 1514 O PRO A 97 -6.170 -9.704 -2.635 1.00 71.14 O ATOM 1515 CB PRO A 97 -3.063 -9.888 -3.902 1.00 1.43 C ATOM 1516 CG PRO A 97 -3.642 -9.935 -5.310 1.00 34.23 C ATOM 1517 CD PRO A 97 -4.317 -11.301 -5.387 1.00 62.54 C ATOM 0 HA PRO A 97 -3.511 -11.342 -2.327 1.00 5.01 H new ATOM 0 HB2 PRO A 97 -3.013 -8.867 -3.524 1.00 1.43 H new ATOM 0 HB3 PRO A 97 -2.050 -10.289 -3.873 1.00 1.43 H new ATOM 0 HG2 PRO A 97 -4.355 -9.128 -5.475 1.00 34.23 H new ATOM 0 HG3 PRO A 97 -2.863 -9.832 -6.065 1.00 34.23 H new ATOM 0 HD2 PRO A 97 -5.186 -11.272 -6.044 1.00 62.54 H new ATOM 0 HD3 PRO A 97 -3.637 -12.051 -5.790 1.00 62.54 H new ATOM 1525 N SER A 98 -4.469 -9.239 -1.217 1.00 71.15 N ATOM 1526 CA SER A 98 -5.161 -8.233 -0.419 1.00 33.43 C ATOM 1527 C SER A 98 -4.494 -6.852 -0.519 1.00 41.21 C ATOM 1528 O SER A 98 -5.163 -5.829 -0.329 1.00 1.23 O ATOM 1529 CB SER A 98 -5.274 -8.723 1.033 1.00 14.12 C ATOM 1530 OG SER A 98 -4.084 -8.615 1.789 1.00 31.52 O ATOM 0 H SER A 98 -3.520 -9.419 -0.891 1.00 71.15 H new ATOM 0 HA SER A 98 -6.166 -8.101 -0.820 1.00 33.43 H new ATOM 0 HB2 SER A 98 -6.059 -8.155 1.533 1.00 14.12 H new ATOM 0 HB3 SER A 98 -5.590 -9.766 1.026 1.00 14.12 H new ATOM 0 HG SER A 98 -4.276 -8.808 2.730 1.00 31.52 H new ATOM 1536 N LEU A 99 -3.190 -6.802 -0.828 1.00 54.41 N ATOM 1537 CA LEU A 99 -2.353 -5.611 -0.712 1.00 10.01 C ATOM 1538 C LEU A 99 -1.390 -5.546 -1.896 1.00 61.11 C ATOM 1539 O LEU A 99 -0.815 -6.576 -2.255 1.00 12.42 O ATOM 1540 CB LEU A 99 -1.549 -5.708 0.599 1.00 22.42 C ATOM 1541 CG LEU A 99 -0.950 -4.361 1.043 1.00 34.12 C ATOM 1542 CD1 LEU A 99 -1.996 -3.556 1.827 1.00 44.02 C ATOM 1543 CD2 LEU A 99 0.286 -4.584 1.916 1.00 21.43 C ATOM 0 H LEU A 99 -2.680 -7.614 -1.175 1.00 54.41 H new ATOM 0 HA LEU A 99 -2.974 -4.715 -0.708 1.00 10.01 H new ATOM 0 HB2 LEU A 99 -2.198 -6.088 1.388 1.00 22.42 H new ATOM 0 HB3 LEU A 99 -0.744 -6.432 0.472 1.00 22.42 H new ATOM 0 HG LEU A 99 -0.656 -3.804 0.153 1.00 34.12 H new ATOM 0 HD11 LEU A 99 -1.565 -2.604 2.138 1.00 44.02 H new ATOM 0 HD12 LEU A 99 -2.863 -3.372 1.193 1.00 44.02 H new ATOM 0 HD13 LEU A 99 -2.304 -4.120 2.708 1.00 44.02 H new ATOM 0 HD21 LEU A 99 0.695 -3.621 2.220 1.00 21.43 H new ATOM 0 HD22 LEU A 99 0.008 -5.156 2.801 1.00 21.43 H new ATOM 0 HD23 LEU A 99 1.037 -5.135 1.350 1.00 21.43 H new ATOM 1555 N ARG A 100 -1.155 -4.351 -2.456 1.00 52.23 N ATOM 1556 CA ARG A 100 -0.180 -4.147 -3.532 1.00 70.32 C ATOM 1557 C ARG A 100 0.567 -2.835 -3.336 1.00 3.44 C ATOM 1558 O ARG A 100 -0.063 -1.819 -3.005 1.00 31.10 O ATOM 1559 CB ARG A 100 -0.896 -4.183 -4.891 1.00 24.32 C ATOM 1560 CG ARG A 100 0.108 -4.264 -6.061 1.00 13.10 C ATOM 1561 CD ARG A 100 -0.578 -4.288 -7.428 1.00 33.24 C ATOM 1562 NE ARG A 100 -1.264 -3.020 -7.719 1.00 44.33 N ATOM 1563 CZ ARG A 100 -2.268 -2.865 -8.584 1.00 22.23 C ATOM 1564 NH1 ARG A 100 -2.677 -3.869 -9.353 1.00 64.41 N ATOM 1565 NH2 ARG A 100 -2.860 -1.685 -8.654 1.00 45.44 N ATOM 0 H ARG A 100 -1.638 -3.498 -2.174 1.00 52.23 H new ATOM 0 HA ARG A 100 0.556 -4.951 -3.507 1.00 70.32 H new ATOM 0 HB2 ARG A 100 -1.567 -5.041 -4.927 1.00 24.32 H new ATOM 0 HB3 ARG A 100 -1.513 -3.291 -5.001 1.00 24.32 H new ATOM 0 HG2 ARG A 100 0.784 -3.410 -6.014 1.00 13.10 H new ATOM 0 HG3 ARG A 100 0.718 -5.161 -5.949 1.00 13.10 H new ATOM 0 HD2 ARG A 100 0.163 -4.486 -8.203 1.00 33.24 H new ATOM 0 HD3 ARG A 100 -1.298 -5.106 -7.459 1.00 33.24 H new ATOM 0 HE ARG A 100 -0.946 -2.190 -7.218 1.00 44.33 H new ATOM 0 HH11 ARG A 100 -2.221 -4.779 -9.288 1.00 64.41 H new ATOM 0 HH12 ARG A 100 -3.447 -3.729 -10.008 1.00 64.41 H new ATOM 0 HH21 ARG A 100 -2.547 -0.921 -8.056 1.00 45.44 H new ATOM 0 HH22 ARG A 100 -3.630 -1.539 -9.307 1.00 45.44 H new ATOM 1579 N VAL A 101 1.885 -2.828 -3.560 1.00 2.44 N ATOM 1580 CA VAL A 101 2.736 -1.640 -3.442 1.00 33.21 C ATOM 1581 C VAL A 101 3.761 -1.643 -4.579 1.00 65.32 C ATOM 1582 O VAL A 101 4.721 -2.414 -4.575 1.00 31.53 O ATOM 1583 CB VAL A 101 3.422 -1.546 -2.062 1.00 70.13 C ATOM 1584 CG1 VAL A 101 3.827 -0.088 -1.798 1.00 1.13 C ATOM 1585 CG2 VAL A 101 2.520 -2.025 -0.926 1.00 34.51 C ATOM 0 H VAL A 101 2.400 -3.665 -3.834 1.00 2.44 H new ATOM 0 HA VAL A 101 2.107 -0.754 -3.525 1.00 33.21 H new ATOM 0 HB VAL A 101 4.296 -2.197 -2.087 1.00 70.13 H new ATOM 0 HG11 VAL A 101 4.312 -0.016 -0.825 1.00 1.13 H new ATOM 0 HG12 VAL A 101 4.518 0.244 -2.573 1.00 1.13 H new ATOM 0 HG13 VAL A 101 2.939 0.544 -1.809 1.00 1.13 H new ATOM 0 HG21 VAL A 101 3.051 -1.938 0.022 1.00 34.51 H new ATOM 0 HG22 VAL A 101 1.619 -1.413 -0.894 1.00 34.51 H new ATOM 0 HG23 VAL A 101 2.246 -3.067 -1.094 1.00 34.51 H new ATOM 1595 N VAL A 102 3.543 -0.816 -5.591 1.00 22.52 N ATOM 1596 CA VAL A 102 4.474 -0.669 -6.724 1.00 73.11 C ATOM 1597 C VAL A 102 5.646 0.242 -6.333 1.00 11.14 C ATOM 1598 O VAL A 102 5.439 1.231 -5.623 1.00 73.52 O ATOM 1599 CB VAL A 102 3.723 -0.165 -7.974 1.00 51.32 C ATOM 1600 CG1 VAL A 102 4.626 0.041 -9.198 1.00 32.32 C ATOM 1601 CG2 VAL A 102 2.641 -1.172 -8.397 1.00 21.53 C ATOM 0 H VAL A 102 2.716 -0.222 -5.659 1.00 22.52 H new ATOM 0 HA VAL A 102 4.895 -1.642 -6.977 1.00 73.11 H new ATOM 0 HB VAL A 102 3.302 0.796 -7.677 1.00 51.32 H new ATOM 0 HG11 VAL A 102 4.027 0.396 -10.037 1.00 32.32 H new ATOM 0 HG12 VAL A 102 5.394 0.778 -8.963 1.00 32.32 H new ATOM 0 HG13 VAL A 102 5.099 -0.904 -9.464 1.00 32.32 H new ATOM 0 HG21 VAL A 102 2.122 -0.799 -9.280 1.00 21.53 H new ATOM 0 HG22 VAL A 102 3.106 -2.131 -8.627 1.00 21.53 H new ATOM 0 HG23 VAL A 102 1.926 -1.301 -7.584 1.00 21.53 H new ATOM 1611 N PHE A 103 6.866 -0.057 -6.812 1.00 52.04 N ATOM 1612 CA PHE A 103 8.072 0.718 -6.485 1.00 44.14 C ATOM 1613 C PHE A 103 8.970 0.954 -7.705 1.00 33.50 C ATOM 1614 O PHE A 103 9.357 0.016 -8.401 1.00 42.35 O ATOM 1615 CB PHE A 103 8.906 0.010 -5.408 1.00 4.13 C ATOM 1616 CG PHE A 103 8.272 -0.071 -4.035 1.00 63.43 C ATOM 1617 CD1 PHE A 103 8.373 1.010 -3.138 1.00 62.34 C ATOM 1618 CD2 PHE A 103 7.615 -1.248 -3.637 1.00 1.21 C ATOM 1619 CE1 PHE A 103 7.811 0.912 -1.852 1.00 65.53 C ATOM 1620 CE2 PHE A 103 7.076 -1.352 -2.345 1.00 4.00 C ATOM 1621 CZ PHE A 103 7.165 -0.270 -1.457 1.00 41.42 C ATOM 0 H PHE A 103 7.042 -0.844 -7.437 1.00 52.04 H new ATOM 0 HA PHE A 103 7.716 1.681 -6.120 1.00 44.14 H new ATOM 0 HB2 PHE A 103 9.122 -1.003 -5.749 1.00 4.13 H new ATOM 0 HB3 PHE A 103 9.862 0.526 -5.317 1.00 4.13 H new ATOM 0 HD1 PHE A 103 8.882 1.914 -3.437 1.00 62.34 H new ATOM 0 HD2 PHE A 103 7.525 -2.074 -4.327 1.00 1.21 H new ATOM 0 HE1 PHE A 103 7.877 1.746 -1.169 1.00 65.53 H new ATOM 0 HE2 PHE A 103 6.592 -2.266 -2.034 1.00 4.00 H new ATOM 0 HZ PHE A 103 6.736 -0.346 -0.469 1.00 41.42 H new ATOM 1631 N GLU A 104 9.377 2.194 -7.950 1.00 71.22 N ATOM 1632 CA GLU A 104 10.222 2.598 -9.076 1.00 71.01 C ATOM 1633 C GLU A 104 11.453 3.326 -8.532 1.00 12.24 C ATOM 1634 O GLU A 104 11.385 3.932 -7.457 1.00 75.34 O ATOM 1635 CB GLU A 104 9.384 3.485 -10.017 1.00 34.42 C ATOM 1636 CG GLU A 104 8.364 2.651 -10.806 1.00 23.32 C ATOM 1637 CD GLU A 104 7.546 3.440 -11.835 1.00 61.11 C ATOM 1638 OE1 GLU A 104 7.072 4.568 -11.555 1.00 61.14 O ATOM 1639 OE2 GLU A 104 7.266 2.902 -12.930 1.00 14.14 O ATOM 0 H GLU A 104 9.120 2.978 -7.350 1.00 71.22 H new ATOM 0 HA GLU A 104 10.573 1.738 -9.646 1.00 71.01 H new ATOM 0 HB2 GLU A 104 8.863 4.246 -9.436 1.00 34.42 H new ATOM 0 HB3 GLU A 104 10.043 4.009 -10.710 1.00 34.42 H new ATOM 0 HG2 GLU A 104 8.893 1.849 -11.321 1.00 23.32 H new ATOM 0 HG3 GLU A 104 7.678 2.180 -10.102 1.00 23.32 H new ATOM 1646 N LEU A 105 12.571 3.260 -9.260 1.00 13.40 N ATOM 1647 CA LEU A 105 13.848 3.882 -8.924 1.00 53.42 C ATOM 1648 C LEU A 105 14.302 4.733 -10.110 1.00 74.13 C ATOM 1649 O LEU A 105 14.516 4.218 -11.211 1.00 52.23 O ATOM 1650 CB LEU A 105 14.900 2.820 -8.565 1.00 42.32 C ATOM 1651 CG LEU A 105 16.305 3.383 -8.237 1.00 34.20 C ATOM 1652 CD1 LEU A 105 16.552 3.592 -6.744 1.00 43.35 C ATOM 1653 CD2 LEU A 105 17.384 2.435 -8.756 1.00 72.45 C ATOM 0 H LEU A 105 12.609 2.747 -10.141 1.00 13.40 H new ATOM 0 HA LEU A 105 13.727 4.518 -8.047 1.00 53.42 H new ATOM 0 HB2 LEU A 105 14.543 2.250 -7.707 1.00 42.32 H new ATOM 0 HB3 LEU A 105 14.989 2.121 -9.397 1.00 42.32 H new ATOM 0 HG LEU A 105 16.350 4.356 -8.726 1.00 34.20 H new ATOM 0 HD11 LEU A 105 17.556 3.988 -6.593 1.00 43.35 H new ATOM 0 HD12 LEU A 105 15.821 4.298 -6.349 1.00 43.35 H new ATOM 0 HD13 LEU A 105 16.455 2.640 -6.222 1.00 43.35 H new ATOM 0 HD21 LEU A 105 18.368 2.840 -8.520 1.00 72.45 H new ATOM 0 HD22 LEU A 105 17.270 1.460 -8.282 1.00 72.45 H new ATOM 0 HD23 LEU A 105 17.285 2.328 -9.836 1.00 72.45 H new ATOM 1665 N THR A 106 14.501 6.026 -9.869 1.00 1.23 N ATOM 1666 CA THR A 106 15.025 6.994 -10.828 1.00 34.04 C ATOM 1667 C THR A 106 15.963 7.911 -10.053 1.00 41.43 C ATOM 1668 O THR A 106 15.638 8.264 -8.919 1.00 2.11 O ATOM 1669 CB THR A 106 13.862 7.820 -11.417 1.00 71.31 C ATOM 1670 OG1 THR A 106 12.872 6.986 -11.993 1.00 52.55 O ATOM 1671 CG2 THR A 106 14.307 8.859 -12.449 1.00 52.54 C ATOM 0 H THR A 106 14.293 6.445 -8.963 1.00 1.23 H new ATOM 0 HA THR A 106 15.545 6.498 -11.648 1.00 34.04 H new ATOM 0 HB THR A 106 13.442 8.360 -10.568 1.00 71.31 H new ATOM 0 HG1 THR A 106 12.042 7.059 -11.477 1.00 52.55 H new ATOM 0 HG21 THR A 106 13.436 9.401 -12.819 1.00 52.54 H new ATOM 0 HG22 THR A 106 15.000 9.560 -11.984 1.00 52.54 H new ATOM 0 HG23 THR A 106 14.802 8.357 -13.280 1.00 52.54 H new ATOM 1679 N ASP A 107 17.073 8.340 -10.664 1.00 3.40 N ATOM 1680 CA ASP A 107 17.986 9.349 -10.109 1.00 4.42 C ATOM 1681 C ASP A 107 18.634 8.887 -8.793 1.00 21.30 C ATOM 1682 O ASP A 107 19.145 9.687 -8.005 1.00 24.11 O ATOM 1683 CB ASP A 107 17.233 10.689 -9.988 1.00 33.20 C ATOM 1684 CG ASP A 107 18.144 11.905 -9.891 1.00 1.44 C ATOM 1685 OD1 ASP A 107 19.137 11.955 -10.644 1.00 44.41 O ATOM 1686 OD2 ASP A 107 17.746 12.872 -9.199 1.00 12.40 O ATOM 0 H ASP A 107 17.369 7.990 -11.575 1.00 3.40 H new ATOM 0 HA ASP A 107 18.826 9.493 -10.788 1.00 4.42 H new ATOM 0 HB2 ASP A 107 16.579 10.806 -10.852 1.00 33.20 H new ATOM 0 HB3 ASP A 107 16.593 10.656 -9.106 1.00 33.20 H new ATOM 1691 N GLY A 108 18.597 7.576 -8.531 1.00 11.43 N ATOM 1692 CA GLY A 108 19.028 6.967 -7.287 1.00 73.42 C ATOM 1693 C GLY A 108 17.960 6.948 -6.196 1.00 74.41 C ATOM 1694 O GLY A 108 18.267 6.575 -5.066 1.00 12.23 O ATOM 0 H GLY A 108 18.253 6.895 -9.208 1.00 11.43 H new ATOM 0 HA2 GLY A 108 19.345 5.944 -7.487 1.00 73.42 H new ATOM 0 HA3 GLY A 108 19.901 7.504 -6.916 1.00 73.42 H new ATOM 1698 N LYS A 109 16.722 7.358 -6.471 1.00 15.40 N ATOM 1699 CA LYS A 109 15.678 7.529 -5.464 1.00 1.10 C ATOM 1700 C LYS A 109 14.600 6.492 -5.723 1.00 2.11 C ATOM 1701 O LYS A 109 14.086 6.411 -6.836 1.00 35.32 O ATOM 1702 CB LYS A 109 15.048 8.919 -5.523 1.00 75.05 C ATOM 1703 CG LYS A 109 16.074 10.042 -5.725 1.00 60.11 C ATOM 1704 CD LYS A 109 15.386 11.382 -5.961 1.00 1.41 C ATOM 1705 CE LYS A 109 16.442 12.428 -6.312 1.00 61.02 C ATOM 1706 NZ LYS A 109 17.334 12.759 -5.180 1.00 75.22 N ATOM 0 H LYS A 109 16.412 7.584 -7.416 1.00 15.40 H new ATOM 0 HA LYS A 109 16.126 7.408 -4.478 1.00 1.10 H new ATOM 0 HB2 LYS A 109 14.323 8.948 -6.337 1.00 75.05 H new ATOM 0 HB3 LYS A 109 14.498 9.101 -4.600 1.00 75.05 H new ATOM 0 HG2 LYS A 109 16.719 10.111 -4.849 1.00 60.11 H new ATOM 0 HG3 LYS A 109 16.714 9.805 -6.574 1.00 60.11 H new ATOM 0 HD2 LYS A 109 14.659 11.295 -6.769 1.00 1.41 H new ATOM 0 HD3 LYS A 109 14.837 11.686 -5.070 1.00 1.41 H new ATOM 0 HE2 LYS A 109 17.043 12.063 -7.145 1.00 61.02 H new ATOM 0 HE3 LYS A 109 15.945 13.337 -6.652 1.00 61.02 H new ATOM 0 HZ1 LYS A 109 17.972 13.533 -5.455 1.00 75.22 H new ATOM 0 HZ2 LYS A 109 16.763 13.055 -4.363 1.00 75.22 H new ATOM 0 HZ3 LYS A 109 17.896 11.922 -4.924 1.00 75.22 H new ATOM 1720 N TRP A 110 14.228 5.746 -4.691 1.00 62.15 N ATOM 1721 CA TRP A 110 13.066 4.853 -4.718 1.00 42.32 C ATOM 1722 C TRP A 110 11.809 5.665 -4.425 1.00 33.34 C ATOM 1723 O TRP A 110 11.849 6.546 -3.553 1.00 73.02 O ATOM 1724 CB TRP A 110 13.197 3.724 -3.684 1.00 20.41 C ATOM 1725 CG TRP A 110 14.080 2.590 -4.100 1.00 53.55 C ATOM 1726 CD1 TRP A 110 15.331 2.356 -3.653 1.00 23.02 C ATOM 1727 CD2 TRP A 110 13.808 1.552 -5.093 1.00 3.51 C ATOM 1728 NE1 TRP A 110 15.862 1.268 -4.316 1.00 11.20 N ATOM 1729 CE2 TRP A 110 14.967 0.732 -5.219 1.00 64.34 C ATOM 1730 CE3 TRP A 110 12.710 1.241 -5.924 1.00 25.13 C ATOM 1731 CZ2 TRP A 110 15.035 -0.334 -6.131 1.00 42.45 C ATOM 1732 CZ3 TRP A 110 12.766 0.174 -6.842 1.00 54.54 C ATOM 1733 CH2 TRP A 110 13.923 -0.616 -6.946 1.00 64.22 C ATOM 0 H TRP A 110 14.726 5.740 -3.801 1.00 62.15 H new ATOM 0 HA TRP A 110 13.006 4.398 -5.707 1.00 42.32 H new ATOM 0 HB2 TRP A 110 13.583 4.144 -2.755 1.00 20.41 H new ATOM 0 HB3 TRP A 110 12.203 3.332 -3.468 1.00 20.41 H new ATOM 0 HD1 TRP A 110 15.839 2.931 -2.893 1.00 23.02 H new ATOM 0 HE1 TRP A 110 16.802 0.904 -4.158 1.00 11.20 H new ATOM 0 HE3 TRP A 110 11.809 1.833 -5.855 1.00 25.13 H new ATOM 0 HZ2 TRP A 110 15.932 -0.931 -6.206 1.00 42.45 H new ATOM 0 HZ3 TRP A 110 11.914 -0.038 -7.470 1.00 54.54 H new ATOM 0 HH2 TRP A 110 13.959 -1.436 -7.648 1.00 64.22 H new ATOM 1744 N TYR A 111 10.697 5.352 -5.088 1.00 34.13 N ATOM 1745 CA TYR A 111 9.396 5.965 -4.859 1.00 23.14 C ATOM 1746 C TYR A 111 8.255 4.995 -5.193 1.00 44.21 C ATOM 1747 O TYR A 111 8.461 4.014 -5.905 1.00 51.05 O ATOM 1748 CB TYR A 111 9.296 7.266 -5.673 1.00 32.31 C ATOM 1749 CG TYR A 111 9.579 7.137 -7.155 1.00 15.21 C ATOM 1750 CD1 TYR A 111 10.893 7.221 -7.648 1.00 44.35 C ATOM 1751 CD2 TYR A 111 8.515 6.930 -8.044 1.00 1.00 C ATOM 1752 CE1 TYR A 111 11.145 7.061 -9.020 1.00 73.23 C ATOM 1753 CE2 TYR A 111 8.754 6.839 -9.424 1.00 62.25 C ATOM 1754 CZ TYR A 111 10.073 6.872 -9.920 1.00 11.51 C ATOM 1755 OH TYR A 111 10.283 6.789 -11.262 1.00 13.30 O ATOM 0 H TYR A 111 10.679 4.643 -5.821 1.00 34.13 H new ATOM 0 HA TYR A 111 9.297 6.207 -3.801 1.00 23.14 H new ATOM 0 HB2 TYR A 111 8.294 7.675 -5.548 1.00 32.31 H new ATOM 0 HB3 TYR A 111 9.991 7.991 -5.251 1.00 32.31 H new ATOM 0 HD1 TYR A 111 11.711 7.409 -6.969 1.00 44.35 H new ATOM 0 HD2 TYR A 111 7.507 6.840 -7.665 1.00 1.00 H new ATOM 0 HE1 TYR A 111 12.160 7.082 -9.388 1.00 73.23 H new ATOM 0 HE2 TYR A 111 7.924 6.743 -10.109 1.00 62.25 H new ATOM 0 HH TYR A 111 9.426 6.658 -11.720 1.00 13.30 H new ATOM 1765 N VAL A 112 7.053 5.275 -4.683 1.00 51.12 N ATOM 1766 CA VAL A 112 5.820 4.528 -4.911 1.00 72.33 C ATOM 1767 C VAL A 112 4.973 5.298 -5.928 1.00 60.31 C ATOM 1768 O VAL A 112 4.956 6.538 -5.902 1.00 34.43 O ATOM 1769 CB VAL A 112 5.080 4.378 -3.563 1.00 33.42 C ATOM 1770 CG1 VAL A 112 3.711 3.697 -3.676 1.00 41.31 C ATOM 1771 CG2 VAL A 112 5.905 3.588 -2.538 1.00 63.25 C ATOM 0 H VAL A 112 6.909 6.074 -4.066 1.00 51.12 H new ATOM 0 HA VAL A 112 6.023 3.533 -5.306 1.00 72.33 H new ATOM 0 HB VAL A 112 4.933 5.406 -3.231 1.00 33.42 H new ATOM 0 HG11 VAL A 112 3.256 3.629 -2.688 1.00 41.31 H new ATOM 0 HG12 VAL A 112 3.067 4.282 -4.333 1.00 41.31 H new ATOM 0 HG13 VAL A 112 3.836 2.695 -4.087 1.00 41.31 H new ATOM 0 HG21 VAL A 112 5.346 3.507 -1.606 1.00 63.25 H new ATOM 0 HG22 VAL A 112 6.109 2.590 -2.926 1.00 63.25 H new ATOM 0 HG23 VAL A 112 6.847 4.105 -2.353 1.00 63.25 H new ATOM 1781 N THR A 113 4.242 4.580 -6.787 1.00 62.42 N ATOM 1782 CA THR A 113 3.445 5.168 -7.868 1.00 74.25 C ATOM 1783 C THR A 113 2.007 4.644 -7.965 1.00 4.31 C ATOM 1784 O THR A 113 1.168 5.264 -8.624 1.00 11.24 O ATOM 1785 CB THR A 113 4.198 4.958 -9.189 1.00 13.13 C ATOM 1786 OG1 THR A 113 4.554 3.599 -9.356 1.00 35.11 O ATOM 1787 CG2 THR A 113 5.477 5.786 -9.187 1.00 31.24 C ATOM 0 H THR A 113 4.187 3.562 -6.750 1.00 62.42 H new ATOM 0 HA THR A 113 3.329 6.228 -7.643 1.00 74.25 H new ATOM 0 HB THR A 113 3.541 5.265 -10.003 1.00 13.13 H new ATOM 0 HG1 THR A 113 5.031 3.488 -10.205 1.00 35.11 H new ATOM 0 HG21 THR A 113 6.010 5.635 -10.126 1.00 31.24 H new ATOM 0 HG22 THR A 113 5.227 6.841 -9.077 1.00 31.24 H new ATOM 0 HG23 THR A 113 6.111 5.475 -8.356 1.00 31.24 H new ATOM 1795 N ASP A 114 1.688 3.565 -7.262 1.00 33.23 N ATOM 1796 CA ASP A 114 0.381 2.920 -7.202 1.00 20.32 C ATOM 1797 C ASP A 114 0.140 2.572 -5.730 1.00 43.43 C ATOM 1798 O ASP A 114 1.095 2.575 -4.948 1.00 24.50 O ATOM 1799 CB ASP A 114 0.422 1.673 -8.093 1.00 11.44 C ATOM 1800 CG ASP A 114 -0.918 0.961 -8.188 1.00 64.31 C ATOM 1801 OD1 ASP A 114 -1.202 0.123 -7.301 1.00 33.11 O ATOM 1802 OD2 ASP A 114 -1.678 1.279 -9.128 1.00 33.31 O ATOM 0 H ASP A 114 2.377 3.087 -6.682 1.00 33.23 H new ATOM 0 HA ASP A 114 -0.430 3.554 -7.561 1.00 20.32 H new ATOM 0 HB2 ASP A 114 0.746 1.960 -9.094 1.00 11.44 H new ATOM 0 HB3 ASP A 114 1.168 0.980 -7.703 1.00 11.44 H new ATOM 1807 N CYS A 115 -1.099 2.310 -5.312 1.00 5.02 N ATOM 1808 CA CYS A 115 -1.344 1.701 -4.012 1.00 64.45 C ATOM 1809 C CYS A 115 -2.637 0.901 -4.033 1.00 62.53 C ATOM 1810 O CYS A 115 -3.622 1.375 -4.605 1.00 24.42 O ATOM 1811 CB CYS A 115 -1.391 2.761 -2.904 1.00 2.03 C ATOM 1812 SG CYS A 115 -2.883 3.807 -2.925 1.00 51.21 S ATOM 0 H CYS A 115 -1.940 2.510 -5.853 1.00 5.02 H new ATOM 0 HA CYS A 115 -0.517 1.024 -3.798 1.00 64.45 H new ATOM 0 HB2 CYS A 115 -1.326 2.262 -1.937 1.00 2.03 H new ATOM 0 HB3 CYS A 115 -0.513 3.400 -2.992 1.00 2.03 H new ATOM 0 HG CYS A 115 -3.761 3.294 -3.735 1.00 51.21 H new ATOM 1818 N TYR A 116 -2.680 -0.236 -3.336 1.00 2.14 N ATOM 1819 CA TYR A 116 -3.922 -0.953 -3.135 1.00 71.31 C ATOM 1820 C TYR A 116 -3.973 -1.458 -1.695 1.00 73.12 C ATOM 1821 O TYR A 116 -3.138 -2.272 -1.287 1.00 4.33 O ATOM 1822 CB TYR A 116 -4.035 -2.056 -4.197 1.00 31.42 C ATOM 1823 CG TYR A 116 -5.450 -2.529 -4.425 1.00 43.11 C ATOM 1824 CD1 TYR A 116 -6.457 -1.604 -4.760 1.00 61.44 C ATOM 1825 CD2 TYR A 116 -5.756 -3.895 -4.321 1.00 3.34 C ATOM 1826 CE1 TYR A 116 -7.792 -2.021 -4.888 1.00 11.41 C ATOM 1827 CE2 TYR A 116 -7.095 -4.313 -4.456 1.00 65.41 C ATOM 1828 CZ TYR A 116 -8.125 -3.374 -4.687 1.00 4.43 C ATOM 1829 OH TYR A 116 -9.429 -3.757 -4.709 1.00 41.21 O ATOM 0 H TYR A 116 -1.865 -0.673 -2.905 1.00 2.14 H new ATOM 0 HA TYR A 116 -4.793 -0.310 -3.266 1.00 71.31 H new ATOM 0 HB2 TYR A 116 -3.628 -1.686 -5.138 1.00 31.42 H new ATOM 0 HB3 TYR A 116 -3.421 -2.904 -3.895 1.00 31.42 H new ATOM 0 HD1 TYR A 116 -6.201 -0.567 -4.920 1.00 61.44 H new ATOM 0 HD2 TYR A 116 -4.974 -4.618 -4.140 1.00 3.34 H new ATOM 0 HE1 TYR A 116 -8.561 -1.306 -5.140 1.00 11.41 H new ATOM 0 HE2 TYR A 116 -7.337 -5.363 -4.382 1.00 65.41 H new ATOM 0 HH TYR A 116 -9.489 -4.723 -4.555 1.00 41.21 H new ATOM 1839 N ASN A 117 -4.885 -0.900 -0.892 1.00 62.25 N ATOM 1840 CA ASN A 117 -5.226 -1.377 0.446 1.00 5.20 C ATOM 1841 C ASN A 117 -6.575 -2.053 0.391 1.00 31.50 C ATOM 1842 O ASN A 117 -7.474 -1.605 -0.323 1.00 10.00 O ATOM 1843 CB ASN A 117 -5.298 -0.249 1.491 1.00 33.10 C ATOM 1844 CG ASN A 117 -4.025 -0.170 2.304 1.00 25.14 C ATOM 1845 OD1 ASN A 117 -3.072 0.455 1.855 1.00 51.43 O ATOM 1846 ND2 ASN A 117 -3.959 -0.787 3.470 1.00 1.32 N ATOM 0 H ASN A 117 -5.422 -0.077 -1.167 1.00 62.25 H new ATOM 0 HA ASN A 117 -4.435 -2.062 0.752 1.00 5.20 H new ATOM 0 HB2 ASN A 117 -5.471 0.703 0.990 1.00 33.10 H new ATOM 0 HB3 ASN A 117 -6.146 -0.419 2.155 1.00 33.10 H new ATOM 0 HD21 ASN A 117 -3.100 -0.750 4.019 1.00 1.32 H new ATOM 0 HD22 ASN A 117 -4.767 -1.301 3.822 1.00 1.32 H new ATOM 1853 N ASP A 118 -6.744 -3.062 1.240 1.00 3.32 N ATOM 1854 CA ASP A 118 -7.992 -3.806 1.370 1.00 5.41 C ATOM 1855 C ASP A 118 -9.101 -2.989 2.044 1.00 74.44 C ATOM 1856 O ASP A 118 -10.252 -3.421 2.081 1.00 34.54 O ATOM 1857 CB ASP A 118 -7.724 -5.096 2.144 1.00 31.51 C ATOM 1858 CG ASP A 118 -8.694 -6.195 1.725 1.00 31.30 C ATOM 1859 OD1 ASP A 118 -8.764 -6.487 0.509 1.00 30.42 O ATOM 1860 OD2 ASP A 118 -9.214 -6.918 2.602 1.00 63.41 O ATOM 0 H ASP A 118 -6.008 -3.390 1.865 1.00 3.32 H new ATOM 0 HA ASP A 118 -8.352 -4.038 0.368 1.00 5.41 H new ATOM 0 HB2 ASP A 118 -6.699 -5.424 1.968 1.00 31.51 H new ATOM 0 HB3 ASP A 118 -7.820 -4.909 3.214 1.00 31.51 H new ATOM 1865 N TRP A 119 -8.780 -1.789 2.549 1.00 34.43 N ATOM 1866 CA TRP A 119 -9.764 -0.814 3.013 1.00 24.53 C ATOM 1867 C TRP A 119 -10.777 -0.508 1.908 1.00 64.12 C ATOM 1868 O TRP A 119 -11.972 -0.414 2.177 1.00 62.51 O ATOM 1869 CB TRP A 119 -9.076 0.481 3.467 1.00 3.30 C ATOM 1870 CG TRP A 119 -8.480 0.446 4.840 1.00 64.23 C ATOM 1871 CD1 TRP A 119 -7.195 0.171 5.159 1.00 44.25 C ATOM 1872 CD2 TRP A 119 -9.145 0.742 6.105 1.00 12.13 C ATOM 1873 NE1 TRP A 119 -7.030 0.234 6.527 1.00 23.40 N ATOM 1874 CE2 TRP A 119 -8.201 0.593 7.162 1.00 52.33 C ATOM 1875 CE3 TRP A 119 -10.448 1.151 6.463 1.00 44.43 C ATOM 1876 CZ2 TRP A 119 -8.542 0.830 8.501 1.00 4.31 C ATOM 1877 CZ3 TRP A 119 -10.802 1.381 7.805 1.00 72.34 C ATOM 1878 CH2 TRP A 119 -9.850 1.223 8.826 1.00 54.31 C ATOM 0 H TRP A 119 -7.816 -1.469 2.646 1.00 34.43 H new ATOM 0 HA TRP A 119 -10.290 -1.245 3.865 1.00 24.53 H new ATOM 0 HB2 TRP A 119 -8.288 0.723 2.754 1.00 3.30 H new ATOM 0 HB3 TRP A 119 -9.803 1.292 3.426 1.00 3.30 H new ATOM 0 HD1 TRP A 119 -6.415 -0.063 4.449 1.00 44.25 H new ATOM 0 HE1 TRP A 119 -6.152 0.040 7.009 1.00 23.40 H new ATOM 0 HE3 TRP A 119 -11.189 1.290 5.690 1.00 44.43 H new ATOM 0 HZ2 TRP A 119 -7.802 0.711 9.279 1.00 4.31 H new ATOM 0 HZ3 TRP A 119 -11.810 1.680 8.051 1.00 72.34 H new ATOM 0 HH2 TRP A 119 -10.123 1.403 9.855 1.00 54.31 H new ATOM 1889 N TYR A 120 -10.304 -0.398 0.662 1.00 43.24 N ATOM 1890 CA TYR A 120 -11.121 -0.120 -0.508 1.00 72.54 C ATOM 1891 C TYR A 120 -10.972 -1.257 -1.508 1.00 70.12 C ATOM 1892 O TYR A 120 -10.448 -1.107 -2.620 1.00 71.43 O ATOM 1893 CB TYR A 120 -10.830 1.285 -1.039 1.00 43.24 C ATOM 1894 CG TYR A 120 -11.376 2.340 -0.102 1.00 54.44 C ATOM 1895 CD1 TYR A 120 -12.770 2.428 -0.009 1.00 13.32 C ATOM 1896 CD2 TYR A 120 -10.571 3.139 0.746 1.00 70.42 C ATOM 1897 CE1 TYR A 120 -13.369 3.257 0.918 1.00 32.53 C ATOM 1898 CE2 TYR A 120 -11.176 4.125 1.560 1.00 60.33 C ATOM 1899 CZ TYR A 120 -12.575 4.157 1.623 1.00 44.15 C ATOM 1900 OH TYR A 120 -13.156 5.071 2.392 1.00 54.13 O ATOM 0 H TYR A 120 -9.314 -0.504 0.441 1.00 43.24 H new ATOM 0 HA TYR A 120 -12.182 -0.095 -0.259 1.00 72.54 H new ATOM 0 HB2 TYR A 120 -9.755 1.418 -1.156 1.00 43.24 H new ATOM 0 HB3 TYR A 120 -11.275 1.404 -2.027 1.00 43.24 H new ATOM 0 HD1 TYR A 120 -13.386 1.839 -0.672 1.00 13.32 H new ATOM 0 HD2 TYR A 120 -9.501 2.996 0.771 1.00 70.42 H new ATOM 0 HE1 TYR A 120 -14.434 3.208 1.093 1.00 32.53 H new ATOM 0 HE2 TYR A 120 -10.578 4.832 2.116 1.00 60.33 H new ATOM 0 HH TYR A 120 -14.063 5.246 2.064 1.00 54.13 H new ATOM 1910 N ASN A 121 -11.430 -2.413 -1.036 1.00 74.53 N ATOM 1911 CA ASN A 121 -11.718 -3.616 -1.803 1.00 21.51 C ATOM 1912 C ASN A 121 -13.043 -3.442 -2.560 1.00 11.21 C ATOM 1913 O ASN A 121 -13.736 -2.434 -2.415 1.00 22.41 O ATOM 1914 CB ASN A 121 -11.774 -4.836 -0.864 1.00 70.41 C ATOM 1915 CG ASN A 121 -12.987 -4.782 0.058 1.00 42.04 C ATOM 1916 OD1 ASN A 121 -14.049 -5.287 -0.288 1.00 61.11 O ATOM 1917 ND2 ASN A 121 -12.859 -4.125 1.199 1.00 45.41 N ATOM 0 H ASN A 121 -11.622 -2.540 -0.042 1.00 74.53 H new ATOM 0 HA ASN A 121 -10.925 -3.783 -2.531 1.00 21.51 H new ATOM 0 HB2 ASN A 121 -11.808 -5.750 -1.457 1.00 70.41 H new ATOM 0 HB3 ASN A 121 -10.864 -4.877 -0.266 1.00 70.41 H new ATOM 0 HD21 ASN A 121 -13.660 -4.026 1.823 1.00 45.41 H new ATOM 0 HD22 ASN A 121 -11.960 -3.718 1.455 1.00 45.41 H new ATOM 1924 N PHE A 122 -13.379 -4.427 -3.389 1.00 13.10 N ATOM 1925 CA PHE A 122 -14.482 -4.414 -4.346 1.00 54.42 C ATOM 1926 C PHE A 122 -15.848 -4.766 -3.750 1.00 2.22 C ATOM 1927 O PHE A 122 -16.828 -4.817 -4.498 1.00 62.33 O ATOM 1928 CB PHE A 122 -14.117 -5.363 -5.514 1.00 50.21 C ATOM 1929 CG PHE A 122 -13.671 -4.716 -6.815 1.00 1.41 C ATOM 1930 CD1 PHE A 122 -12.701 -3.696 -6.830 1.00 51.44 C ATOM 1931 CD2 PHE A 122 -14.210 -5.170 -8.034 1.00 62.31 C ATOM 1932 CE1 PHE A 122 -12.312 -3.112 -8.050 1.00 14.33 C ATOM 1933 CE2 PHE A 122 -13.837 -4.572 -9.250 1.00 42.14 C ATOM 1934 CZ PHE A 122 -12.893 -3.531 -9.258 1.00 54.04 C ATOM 0 H PHE A 122 -12.860 -5.305 -3.412 1.00 13.10 H new ATOM 0 HA PHE A 122 -14.601 -3.388 -4.696 1.00 54.42 H new ATOM 0 HB2 PHE A 122 -13.321 -6.026 -5.175 1.00 50.21 H new ATOM 0 HB3 PHE A 122 -14.984 -5.988 -5.726 1.00 50.21 H new ATOM 0 HD1 PHE A 122 -12.255 -3.361 -5.905 1.00 51.44 H new ATOM 0 HD2 PHE A 122 -14.917 -5.986 -8.035 1.00 62.31 H new ATOM 0 HE1 PHE A 122 -11.561 -2.336 -8.057 1.00 14.33 H new ATOM 0 HE2 PHE A 122 -14.275 -4.912 -10.177 1.00 42.14 H new ATOM 0 HZ PHE A 122 -12.616 -3.056 -10.188 1.00 54.04 H new ATOM 1944 N ASP A 123 -15.970 -4.919 -2.433 1.00 42.21 N ATOM 1945 CA ASP A 123 -17.261 -5.002 -1.755 1.00 42.35 C ATOM 1946 C ASP A 123 -17.277 -3.983 -0.622 1.00 44.33 C ATOM 1947 O ASP A 123 -17.433 -4.329 0.549 1.00 43.32 O ATOM 1948 CB ASP A 123 -17.560 -6.447 -1.339 1.00 64.24 C ATOM 1949 CG ASP A 123 -19.039 -6.679 -1.013 1.00 12.24 C ATOM 1950 OD1 ASP A 123 -19.908 -6.362 -1.861 1.00 2.13 O ATOM 1951 OD2 ASP A 123 -19.342 -7.314 0.030 1.00 24.10 O ATOM 0 H ASP A 123 -15.171 -4.989 -1.803 1.00 42.21 H new ATOM 0 HA ASP A 123 -18.082 -4.739 -2.422 1.00 42.35 H new ATOM 0 HB2 ASP A 123 -17.260 -7.120 -2.142 1.00 64.24 H new ATOM 0 HB3 ASP A 123 -16.957 -6.701 -0.468 1.00 64.24 H new ATOM 1956 N LEU A 124 -17.061 -2.707 -0.972 1.00 65.25 N ATOM 1957 CA LEU A 124 -17.323 -1.580 -0.062 1.00 5.23 C ATOM 1958 C LEU A 124 -18.521 -0.798 -0.627 1.00 45.05 C ATOM 1959 O LEU A 124 -18.565 -0.596 -1.844 1.00 33.10 O ATOM 1960 CB LEU A 124 -16.022 -0.746 -0.019 1.00 65.41 C ATOM 1961 CG LEU A 124 -15.840 0.337 1.060 1.00 62.51 C ATOM 1962 CD1 LEU A 124 -16.797 1.526 0.980 1.00 10.14 C ATOM 1963 CD2 LEU A 124 -15.847 -0.256 2.463 1.00 2.21 C ATOM 0 H LEU A 124 -16.703 -2.427 -1.885 1.00 65.25 H new ATOM 0 HA LEU A 124 -17.578 -1.880 0.954 1.00 5.23 H new ATOM 0 HB2 LEU A 124 -15.191 -1.445 0.079 1.00 65.41 H new ATOM 0 HB3 LEU A 124 -15.916 -0.259 -0.989 1.00 65.41 H new ATOM 0 HG LEU A 124 -14.856 0.751 0.839 1.00 62.51 H new ATOM 0 HD11 LEU A 124 -16.578 2.225 1.787 1.00 10.14 H new ATOM 0 HD12 LEU A 124 -16.673 2.029 0.021 1.00 10.14 H new ATOM 0 HD13 LEU A 124 -17.824 1.173 1.074 1.00 10.14 H new ATOM 0 HD21 LEU A 124 -15.716 0.541 3.195 1.00 2.21 H new ATOM 0 HD22 LEU A 124 -16.797 -0.759 2.641 1.00 2.21 H new ATOM 0 HD23 LEU A 124 -15.033 -0.974 2.559 1.00 2.21 H new ATOM 1975 N PRO A 125 -19.449 -0.269 0.191 1.00 12.10 N ATOM 1976 CA PRO A 125 -20.544 0.548 -0.317 1.00 21.34 C ATOM 1977 C PRO A 125 -20.085 1.986 -0.563 1.00 43.33 C ATOM 1978 O PRO A 125 -19.727 2.700 0.372 1.00 21.43 O ATOM 1979 CB PRO A 125 -21.663 0.450 0.719 1.00 4.25 C ATOM 1980 CG PRO A 125 -20.955 0.089 2.021 1.00 32.15 C ATOM 1981 CD PRO A 125 -19.682 -0.627 1.590 1.00 45.44 C ATOM 0 HA PRO A 125 -20.901 0.195 -1.285 1.00 21.34 H new ATOM 0 HB2 PRO A 125 -22.202 1.393 0.810 1.00 4.25 H new ATOM 0 HB3 PRO A 125 -22.394 -0.310 0.442 1.00 4.25 H new ATOM 0 HG2 PRO A 125 -20.728 0.979 2.607 1.00 32.15 H new ATOM 0 HG3 PRO A 125 -21.578 -0.553 2.644 1.00 32.15 H new ATOM 0 HD2 PRO A 125 -18.839 -0.325 2.212 1.00 45.44 H new ATOM 0 HD3 PRO A 125 -19.789 -1.706 1.700 1.00 45.44 H new ATOM 1989 N ILE A 126 -20.138 2.434 -1.821 1.00 22.45 N ATOM 1990 CA ILE A 126 -19.785 3.787 -2.255 1.00 32.52 C ATOM 1991 C ILE A 126 -20.435 4.853 -1.363 1.00 34.11 C ATOM 1992 O ILE A 126 -19.788 5.850 -1.049 1.00 24.51 O ATOM 1993 CB ILE A 126 -20.184 3.970 -3.740 1.00 24.52 C ATOM 1994 CG1 ILE A 126 -19.339 3.069 -4.672 1.00 75.31 C ATOM 1995 CG2 ILE A 126 -20.022 5.427 -4.207 1.00 24.15 C ATOM 1996 CD1 ILE A 126 -20.082 2.722 -5.968 1.00 22.41 C ATOM 0 H ILE A 126 -20.440 1.841 -2.594 1.00 22.45 H new ATOM 0 HA ILE A 126 -18.707 3.917 -2.160 1.00 32.52 H new ATOM 0 HB ILE A 126 -21.234 3.685 -3.801 1.00 24.52 H new ATOM 0 HG12 ILE A 126 -18.404 3.575 -4.915 1.00 75.31 H new ATOM 0 HG13 ILE A 126 -19.077 2.150 -4.148 1.00 75.31 H new ATOM 0 HG21 ILE A 126 -20.313 5.508 -5.254 1.00 24.15 H new ATOM 0 HG22 ILE A 126 -20.656 6.075 -3.603 1.00 24.15 H new ATOM 0 HG23 ILE A 126 -18.981 5.731 -4.095 1.00 24.15 H new ATOM 0 HD11 ILE A 126 -19.451 2.088 -6.591 1.00 22.41 H new ATOM 0 HD12 ILE A 126 -21.004 2.192 -5.728 1.00 22.41 H new ATOM 0 HD13 ILE A 126 -20.320 3.639 -6.507 1.00 22.41 H new ATOM 2008 N ASN A 127 -21.693 4.674 -0.947 1.00 35.44 N ATOM 2009 CA ASN A 127 -22.381 5.722 -0.187 1.00 60.30 C ATOM 2010 C ASN A 127 -21.782 5.954 1.206 1.00 62.11 C ATOM 2011 O ASN A 127 -22.000 7.012 1.795 1.00 2.15 O ATOM 2012 CB ASN A 127 -23.887 5.457 -0.088 1.00 51.43 C ATOM 2013 CG ASN A 127 -24.254 4.430 0.966 1.00 20.55 C ATOM 2014 OD1 ASN A 127 -24.645 4.767 2.076 1.00 74.42 O ATOM 2015 ND2 ASN A 127 -24.178 3.160 0.616 1.00 50.11 N ATOM 0 H ASN A 127 -22.245 3.834 -1.118 1.00 35.44 H new ATOM 0 HA ASN A 127 -22.228 6.640 -0.754 1.00 60.30 H new ATOM 0 HB2 ASN A 127 -24.398 6.393 0.135 1.00 51.43 H new ATOM 0 HB3 ASN A 127 -24.252 5.117 -1.057 1.00 51.43 H new ATOM 0 HD21 ASN A 127 -24.449 2.432 1.277 1.00 50.11 H new ATOM 0 HD22 ASN A 127 -23.849 2.907 -0.316 1.00 50.11 H new ATOM 2022 N GLU A 128 -20.998 5.011 1.720 1.00 3.04 N ATOM 2023 CA GLU A 128 -20.307 5.082 3.010 1.00 31.51 C ATOM 2024 C GLU A 128 -18.841 5.520 2.840 1.00 14.01 C ATOM 2025 O GLU A 128 -18.102 5.609 3.823 1.00 0.12 O ATOM 2026 CB GLU A 128 -20.393 3.696 3.680 1.00 64.13 C ATOM 2027 CG GLU A 128 -21.826 3.196 3.977 1.00 53.13 C ATOM 2028 CD GLU A 128 -22.569 3.921 5.100 1.00 11.41 C ATOM 2029 OE1 GLU A 128 -22.471 5.165 5.257 1.00 43.10 O ATOM 2030 OE2 GLU A 128 -23.275 3.247 5.892 1.00 30.55 O ATOM 0 H GLU A 128 -20.817 4.136 1.229 1.00 3.04 H new ATOM 0 HA GLU A 128 -20.787 5.831 3.639 1.00 31.51 H new ATOM 0 HB2 GLU A 128 -19.897 2.968 3.038 1.00 64.13 H new ATOM 0 HB3 GLU A 128 -19.835 3.727 4.616 1.00 64.13 H new ATOM 0 HG2 GLU A 128 -22.416 3.281 3.064 1.00 53.13 H new ATOM 0 HG3 GLU A 128 -21.775 2.136 4.227 1.00 53.13 H new ATOM 2037 N LEU A 129 -18.383 5.792 1.609 1.00 62.11 N ATOM 2038 CA LEU A 129 -16.957 5.893 1.315 1.00 51.33 C ATOM 2039 C LEU A 129 -16.281 6.963 2.140 1.00 3.00 C ATOM 2040 O LEU A 129 -15.262 6.688 2.769 1.00 72.44 O ATOM 2041 CB LEU A 129 -16.693 6.145 -0.177 1.00 20.33 C ATOM 2042 CG LEU A 129 -15.282 5.661 -0.536 1.00 71.12 C ATOM 2043 CD1 LEU A 129 -15.247 5.230 -1.992 1.00 40.41 C ATOM 2044 CD2 LEU A 129 -14.075 6.560 -0.334 1.00 51.23 C ATOM 0 H LEU A 129 -18.987 5.946 0.802 1.00 62.11 H new ATOM 0 HA LEU A 129 -16.527 4.928 1.584 1.00 51.33 H new ATOM 0 HB2 LEU A 129 -17.433 5.621 -0.782 1.00 20.33 H new ATOM 0 HB3 LEU A 129 -16.792 7.207 -0.400 1.00 20.33 H new ATOM 0 HG LEU A 129 -15.154 4.876 0.209 1.00 71.12 H new ATOM 0 HD11 LEU A 129 -14.244 4.886 -2.246 1.00 40.41 H new ATOM 0 HD12 LEU A 129 -15.959 4.419 -2.149 1.00 40.41 H new ATOM 0 HD13 LEU A 129 -15.513 6.074 -2.628 1.00 40.41 H new ATOM 0 HD21 LEU A 129 -13.173 6.034 -0.647 1.00 51.23 H new ATOM 0 HD22 LEU A 129 -14.192 7.466 -0.929 1.00 51.23 H new ATOM 0 HD23 LEU A 129 -13.992 6.826 0.720 1.00 51.23 H new ATOM 2056 N GLU A 130 -16.840 8.166 2.122 1.00 4.01 N ATOM 2057 CA GLU A 130 -16.324 9.334 2.827 1.00 44.04 C ATOM 2058 C GLU A 130 -16.083 9.065 4.321 1.00 63.41 C ATOM 2059 O GLU A 130 -15.273 9.765 4.934 1.00 22.42 O ATOM 2060 CB GLU A 130 -17.301 10.502 2.628 1.00 64.20 C ATOM 2061 CG GLU A 130 -17.333 10.972 1.162 1.00 13.33 C ATOM 2062 CD GLU A 130 -18.455 11.977 0.873 1.00 20.23 C ATOM 2063 OE1 GLU A 130 -18.454 13.094 1.439 1.00 71.54 O ATOM 2064 OE2 GLU A 130 -19.330 11.671 0.031 1.00 53.04 O ATOM 0 H GLU A 130 -17.693 8.363 1.599 1.00 4.01 H new ATOM 0 HA GLU A 130 -15.350 9.586 2.407 1.00 44.04 H new ATOM 0 HB2 GLU A 130 -18.301 10.196 2.934 1.00 64.20 H new ATOM 0 HB3 GLU A 130 -17.011 11.333 3.271 1.00 64.20 H new ATOM 0 HG2 GLU A 130 -16.374 11.426 0.912 1.00 13.33 H new ATOM 0 HG3 GLU A 130 -17.454 10.105 0.512 1.00 13.33 H new ATOM 2071 N GLU A 131 -16.728 8.052 4.906 1.00 52.23 N ATOM 2072 CA GLU A 131 -16.547 7.652 6.294 1.00 2.02 C ATOM 2073 C GLU A 131 -15.638 6.420 6.441 1.00 72.25 C ATOM 2074 O GLU A 131 -14.919 6.325 7.426 1.00 4.13 O ATOM 2075 CB GLU A 131 -17.931 7.425 6.915 1.00 31.25 C ATOM 2076 CG GLU A 131 -17.825 7.355 8.443 1.00 73.54 C ATOM 2077 CD GLU A 131 -19.175 7.407 9.151 1.00 20.53 C ATOM 2078 OE1 GLU A 131 -20.191 6.939 8.597 1.00 43.34 O ATOM 2079 OE2 GLU A 131 -19.214 7.919 10.299 1.00 53.34 O ATOM 0 H GLU A 131 -17.407 7.476 4.409 1.00 52.23 H new ATOM 0 HA GLU A 131 -16.032 8.449 6.830 1.00 2.02 H new ATOM 0 HB2 GLU A 131 -18.603 8.233 6.627 1.00 31.25 H new ATOM 0 HB3 GLU A 131 -18.362 6.500 6.531 1.00 31.25 H new ATOM 0 HG2 GLU A 131 -17.313 6.434 8.722 1.00 73.54 H new ATOM 0 HG3 GLU A 131 -17.208 8.182 8.794 1.00 73.54 H new ATOM 2086 N THR A 132 -15.532 5.522 5.458 1.00 54.15 N ATOM 2087 CA THR A 132 -14.460 4.522 5.500 1.00 1.40 C ATOM 2088 C THR A 132 -13.100 5.256 5.415 1.00 53.21 C ATOM 2089 O THR A 132 -12.125 4.817 6.024 1.00 24.23 O ATOM 2090 CB THR A 132 -14.711 3.448 4.424 1.00 5.02 C ATOM 2091 OG1 THR A 132 -15.831 2.656 4.773 1.00 13.02 O ATOM 2092 CG2 THR A 132 -13.527 2.499 4.151 1.00 62.45 C ATOM 0 H THR A 132 -16.151 5.465 4.649 1.00 54.15 H new ATOM 0 HA THR A 132 -14.442 3.970 6.440 1.00 1.40 H new ATOM 0 HB THR A 132 -14.877 4.017 3.510 1.00 5.02 H new ATOM 0 HG1 THR A 132 -16.363 2.470 3.971 1.00 13.02 H new ATOM 0 HG21 THR A 132 -13.806 1.782 3.379 1.00 62.45 H new ATOM 0 HG22 THR A 132 -12.667 3.078 3.815 1.00 62.45 H new ATOM 0 HG23 THR A 132 -13.270 1.965 5.066 1.00 62.45 H new ATOM 2100 N ILE A 133 -13.027 6.422 4.746 1.00 60.15 N ATOM 2101 CA ILE A 133 -11.800 7.211 4.725 1.00 11.10 C ATOM 2102 C ILE A 133 -11.460 7.636 6.156 1.00 63.43 C ATOM 2103 O ILE A 133 -10.313 7.520 6.588 1.00 12.30 O ATOM 2104 CB ILE A 133 -11.868 8.432 3.775 1.00 22.11 C ATOM 2105 CG1 ILE A 133 -11.934 8.013 2.298 1.00 72.12 C ATOM 2106 CG2 ILE A 133 -10.564 9.209 3.952 1.00 15.40 C ATOM 2107 CD1 ILE A 133 -12.229 9.143 1.303 1.00 11.41 C ATOM 0 H ILE A 133 -13.801 6.828 4.220 1.00 60.15 H new ATOM 0 HA ILE A 133 -11.006 6.582 4.323 1.00 11.10 H new ATOM 0 HB ILE A 133 -12.760 9.009 4.017 1.00 22.11 H new ATOM 0 HG12 ILE A 133 -10.984 7.552 2.026 1.00 72.12 H new ATOM 0 HG13 ILE A 133 -12.702 7.247 2.190 1.00 72.12 H new ATOM 0 HG21 ILE A 133 -10.569 10.081 3.299 1.00 15.40 H new ATOM 0 HG22 ILE A 133 -10.471 9.533 4.989 1.00 15.40 H new ATOM 0 HG23 ILE A 133 -9.721 8.568 3.695 1.00 15.40 H new ATOM 0 HD11 ILE A 133 -12.254 8.739 0.291 1.00 11.41 H new ATOM 0 HD12 ILE A 133 -13.194 9.592 1.538 1.00 11.41 H new ATOM 0 HD13 ILE A 133 -11.449 9.902 1.372 1.00 11.41 H new ATOM 2119 N GLN A 134 -12.422 8.203 6.877 1.00 20.11 N ATOM 2120 CA GLN A 134 -12.091 8.770 8.182 1.00 53.15 C ATOM 2121 C GLN A 134 -11.630 7.689 9.159 1.00 41.22 C ATOM 2122 O GLN A 134 -10.765 7.923 9.996 1.00 60.33 O ATOM 2123 CB GLN A 134 -13.218 9.665 8.678 1.00 73.54 C ATOM 2124 CG GLN A 134 -14.436 8.952 9.220 1.00 4.21 C ATOM 2125 CD GLN A 134 -14.560 8.961 10.741 1.00 21.14 C ATOM 2126 OE1 GLN A 134 -15.203 9.826 11.336 1.00 44.34 O ATOM 2127 NE2 GLN A 134 -13.939 7.994 11.393 1.00 24.12 N ATOM 0 H GLN A 134 -13.400 8.282 6.597 1.00 20.11 H new ATOM 0 HA GLN A 134 -11.228 9.429 8.089 1.00 53.15 H new ATOM 0 HB2 GLN A 134 -12.823 10.315 9.459 1.00 73.54 H new ATOM 0 HB3 GLN A 134 -13.533 10.309 7.857 1.00 73.54 H new ATOM 0 HG2 GLN A 134 -15.328 9.412 8.794 1.00 4.21 H new ATOM 0 HG3 GLN A 134 -14.416 7.917 8.877 1.00 4.21 H new ATOM 0 HE21 GLN A 134 -13.412 7.288 10.878 1.00 24.12 H new ATOM 0 HE22 GLN A 134 -13.986 7.953 12.411 1.00 24.12 H new ATOM 2136 N ALA A 135 -12.177 6.491 8.994 1.00 34.20 N ATOM 2137 CA ALA A 135 -11.815 5.297 9.752 1.00 5.42 C ATOM 2138 C ALA A 135 -10.355 4.878 9.526 1.00 25.21 C ATOM 2139 O ALA A 135 -9.643 4.575 10.485 1.00 24.41 O ATOM 2140 CB ALA A 135 -12.762 4.162 9.385 1.00 2.13 C ATOM 0 H ALA A 135 -12.910 6.317 8.306 1.00 34.20 H new ATOM 0 HA ALA A 135 -11.910 5.531 10.812 1.00 5.42 H new ATOM 0 HB1 ALA A 135 -12.495 3.268 9.949 1.00 2.13 H new ATOM 0 HB2 ALA A 135 -13.785 4.450 9.625 1.00 2.13 H new ATOM 0 HB3 ALA A 135 -12.684 3.954 8.318 1.00 2.13 H new ATOM 2146 N VAL A 136 -9.868 4.883 8.283 1.00 62.14 N ATOM 2147 CA VAL A 136 -8.462 4.555 8.038 1.00 42.31 C ATOM 2148 C VAL A 136 -7.541 5.631 8.622 1.00 55.13 C ATOM 2149 O VAL A 136 -6.437 5.346 9.092 1.00 52.43 O ATOM 2150 CB VAL A 136 -8.236 4.257 6.550 1.00 62.52 C ATOM 2151 CG1 VAL A 136 -8.521 5.363 5.544 1.00 15.22 C ATOM 2152 CG2 VAL A 136 -6.832 3.713 6.294 1.00 74.12 C ATOM 0 H VAL A 136 -10.411 5.105 7.449 1.00 62.14 H new ATOM 0 HA VAL A 136 -8.197 3.639 8.565 1.00 42.31 H new ATOM 0 HB VAL A 136 -9.008 3.511 6.363 1.00 62.52 H new ATOM 0 HG11 VAL A 136 -8.314 5.001 4.537 1.00 15.22 H new ATOM 0 HG12 VAL A 136 -9.568 5.659 5.616 1.00 15.22 H new ATOM 0 HG13 VAL A 136 -7.885 6.222 5.758 1.00 15.22 H new ATOM 0 HG21 VAL A 136 -6.708 3.513 5.230 1.00 74.12 H new ATOM 0 HG22 VAL A 136 -6.093 4.448 6.614 1.00 74.12 H new ATOM 0 HG23 VAL A 136 -6.692 2.789 6.855 1.00 74.12 H new ATOM 2162 N GLN A 137 -8.001 6.881 8.631 1.00 42.14 N ATOM 2163 CA GLN A 137 -7.225 7.997 9.139 1.00 24.21 C ATOM 2164 C GLN A 137 -7.220 7.986 10.674 1.00 31.51 C ATOM 2165 O GLN A 137 -6.207 8.351 11.270 1.00 35.42 O ATOM 2166 CB GLN A 137 -7.775 9.302 8.550 1.00 74.21 C ATOM 2167 CG GLN A 137 -7.644 9.298 7.012 1.00 40.31 C ATOM 2168 CD GLN A 137 -6.229 9.577 6.508 1.00 43.31 C ATOM 2169 OE1 GLN A 137 -5.220 9.481 7.203 1.00 55.03 O ATOM 2170 NE2 GLN A 137 -6.074 9.869 5.229 1.00 40.22 N ATOM 0 H GLN A 137 -8.924 7.143 8.285 1.00 42.14 H new ATOM 0 HA GLN A 137 -6.184 7.910 8.828 1.00 24.21 H new ATOM 0 HB2 GLN A 137 -8.821 9.423 8.832 1.00 74.21 H new ATOM 0 HB3 GLN A 137 -7.233 10.152 8.965 1.00 74.21 H new ATOM 0 HG2 GLN A 137 -7.969 8.329 6.632 1.00 40.31 H new ATOM 0 HG3 GLN A 137 -8.320 10.046 6.598 1.00 40.31 H new ATOM 0 HE21 GLN A 137 -6.890 9.956 4.623 1.00 40.22 H new ATOM 0 HE22 GLN A 137 -5.138 10.007 4.847 1.00 40.22 H new ATOM 2179 N GLU A 138 -8.302 7.507 11.302 1.00 40.22 N ATOM 2180 CA GLU A 138 -8.415 7.208 12.725 1.00 12.40 C ATOM 2181 C GLU A 138 -7.296 6.248 13.128 1.00 65.55 C ATOM 2182 O GLU A 138 -6.592 6.505 14.105 1.00 5.11 O ATOM 2183 CB GLU A 138 -9.801 6.599 13.044 1.00 14.23 C ATOM 2184 CG GLU A 138 -10.824 7.620 13.554 1.00 52.32 C ATOM 2185 CD GLU A 138 -12.235 7.053 13.833 1.00 60.12 C ATOM 2186 OE1 GLU A 138 -12.463 5.816 13.811 1.00 24.30 O ATOM 2187 OE2 GLU A 138 -13.140 7.891 14.071 1.00 20.41 O ATOM 0 H GLU A 138 -9.166 7.309 10.798 1.00 40.22 H new ATOM 0 HA GLU A 138 -8.318 8.131 13.297 1.00 12.40 H new ATOM 0 HB2 GLU A 138 -10.194 6.123 12.145 1.00 14.23 H new ATOM 0 HB3 GLU A 138 -9.680 5.816 13.792 1.00 14.23 H new ATOM 0 HG2 GLU A 138 -10.441 8.067 14.472 1.00 52.32 H new ATOM 0 HG3 GLU A 138 -10.910 8.422 12.821 1.00 52.32 H new ATOM 2194 N GLU A 139 -7.101 5.155 12.384 1.00 51.11 N ATOM 2195 CA GLU A 139 -5.990 4.248 12.666 1.00 74.24 C ATOM 2196 C GLU A 139 -4.642 4.943 12.458 1.00 72.33 C ATOM 2197 O GLU A 139 -3.761 4.861 13.320 1.00 11.31 O ATOM 2198 CB GLU A 139 -6.039 2.970 11.813 1.00 31.22 C ATOM 2199 CG GLU A 139 -7.221 2.038 12.115 1.00 52.41 C ATOM 2200 CD GLU A 139 -6.883 0.552 11.886 1.00 33.44 C ATOM 2201 OE1 GLU A 139 -6.111 0.217 10.960 1.00 3.42 O ATOM 2202 OE2 GLU A 139 -7.356 -0.311 12.665 1.00 74.31 O ATOM 0 H GLU A 139 -7.688 4.882 11.596 1.00 51.11 H new ATOM 0 HA GLU A 139 -6.095 3.960 13.712 1.00 74.24 H new ATOM 0 HB2 GLU A 139 -6.078 3.254 10.761 1.00 31.22 H new ATOM 0 HB3 GLU A 139 -5.112 2.416 11.960 1.00 31.22 H new ATOM 0 HG2 GLU A 139 -7.534 2.179 13.149 1.00 52.41 H new ATOM 0 HG3 GLU A 139 -8.066 2.315 11.485 1.00 52.41 H new ATOM 2209 N ASN A 140 -4.486 5.625 11.320 1.00 52.43 N ATOM 2210 CA ASN A 140 -3.213 6.186 10.861 1.00 72.12 C ATOM 2211 C ASN A 140 -2.546 7.040 11.929 1.00 40.22 C ATOM 2212 O ASN A 140 -1.345 6.904 12.163 1.00 55.42 O ATOM 2213 CB ASN A 140 -3.401 7.071 9.618 1.00 75.44 C ATOM 2214 CG ASN A 140 -3.329 6.324 8.300 1.00 62.31 C ATOM 2215 OD1 ASN A 140 -2.781 5.236 8.185 1.00 50.44 O ATOM 2216 ND2 ASN A 140 -3.805 6.944 7.242 1.00 43.34 N ATOM 0 H ASN A 140 -5.258 5.806 10.679 1.00 52.43 H new ATOM 0 HA ASN A 140 -2.584 5.328 10.626 1.00 72.12 H new ATOM 0 HB2 ASN A 140 -4.367 7.571 9.686 1.00 75.44 H new ATOM 0 HB3 ASN A 140 -2.638 7.849 9.623 1.00 75.44 H new ATOM 0 HD21 ASN A 140 -3.718 6.518 6.319 1.00 43.34 H new ATOM 0 HD22 ASN A 140 -4.261 7.851 7.344 1.00 43.34 H new ATOM 2223 N LYS A 141 -3.295 7.957 12.546 1.00 11.44 N ATOM 2224 CA LYS A 141 -2.731 8.896 13.517 1.00 75.13 C ATOM 2225 C LYS A 141 -2.032 8.178 14.662 1.00 0.01 C ATOM 2226 O LYS A 141 -0.942 8.588 15.049 1.00 24.34 O ATOM 2227 CB LYS A 141 -3.781 9.880 14.038 1.00 24.24 C ATOM 2228 CG LYS A 141 -5.126 9.247 14.415 1.00 32.20 C ATOM 2229 CD LYS A 141 -6.169 10.269 14.861 1.00 75.34 C ATOM 2230 CE LYS A 141 -6.464 11.321 13.780 1.00 63.33 C ATOM 2231 NZ LYS A 141 -5.812 12.619 14.069 1.00 71.43 N ATOM 0 H LYS A 141 -4.297 8.069 12.389 1.00 11.44 H new ATOM 0 HA LYS A 141 -1.976 9.476 12.987 1.00 75.13 H new ATOM 0 HB2 LYS A 141 -3.378 10.390 14.913 1.00 24.24 H new ATOM 0 HB3 LYS A 141 -3.954 10.641 13.277 1.00 24.24 H new ATOM 0 HG2 LYS A 141 -5.512 8.694 13.559 1.00 32.20 H new ATOM 0 HG3 LYS A 141 -4.968 8.525 15.216 1.00 32.20 H new ATOM 0 HD2 LYS A 141 -7.092 9.751 15.121 1.00 75.34 H new ATOM 0 HD3 LYS A 141 -5.819 10.769 15.764 1.00 75.34 H new ATOM 0 HE2 LYS A 141 -6.122 10.952 12.813 1.00 63.33 H new ATOM 0 HE3 LYS A 141 -7.541 11.467 13.702 1.00 63.33 H new ATOM 0 HZ1 LYS A 141 -6.039 13.297 13.314 1.00 71.43 H new ATOM 0 HZ2 LYS A 141 -6.157 12.986 14.979 1.00 71.43 H new ATOM 0 HZ3 LYS A 141 -4.782 12.487 14.118 1.00 71.43 H new ATOM 2245 N ALA A 142 -2.624 7.102 15.175 1.00 63.41 N ATOM 2246 CA ALA A 142 -2.088 6.378 16.322 1.00 10.11 C ATOM 2247 C ALA A 142 -0.748 5.692 16.018 1.00 72.33 C ATOM 2248 O ALA A 142 -0.051 5.273 16.948 1.00 72.52 O ATOM 2249 CB ALA A 142 -3.107 5.330 16.751 1.00 42.23 C ATOM 0 H ALA A 142 -3.490 6.708 14.806 1.00 63.41 H new ATOM 0 HA ALA A 142 -1.903 7.100 17.117 1.00 10.11 H new ATOM 0 HB1 ALA A 142 -2.722 4.778 17.609 1.00 42.23 H new ATOM 0 HB2 ALA A 142 -4.041 5.821 17.025 1.00 42.23 H new ATOM 0 HB3 ALA A 142 -3.288 4.640 15.927 1.00 42.23 H new ATOM 2255 N PHE A 143 -0.402 5.540 14.738 1.00 63.15 N ATOM 2256 CA PHE A 143 0.922 5.151 14.297 1.00 63.33 C ATOM 2257 C PHE A 143 1.799 6.404 14.274 1.00 31.32 C ATOM 2258 O PHE A 143 2.713 6.516 15.084 1.00 11.21 O ATOM 2259 CB PHE A 143 0.816 4.462 12.930 1.00 44.11 C ATOM 2260 CG PHE A 143 2.151 4.047 12.332 1.00 12.01 C ATOM 2261 CD1 PHE A 143 2.686 2.780 12.633 1.00 74.13 C ATOM 2262 CD2 PHE A 143 2.875 4.929 11.500 1.00 1.24 C ATOM 2263 CE1 PHE A 143 3.940 2.403 12.123 1.00 53.45 C ATOM 2264 CE2 PHE A 143 4.126 4.548 10.983 1.00 70.42 C ATOM 2265 CZ PHE A 143 4.666 3.292 11.311 1.00 21.10 C ATOM 0 H PHE A 143 -1.055 5.689 13.969 1.00 63.15 H new ATOM 0 HA PHE A 143 1.383 4.432 14.974 1.00 63.33 H new ATOM 0 HB2 PHE A 143 0.186 3.578 13.030 1.00 44.11 H new ATOM 0 HB3 PHE A 143 0.314 5.135 12.235 1.00 44.11 H new ATOM 0 HD1 PHE A 143 2.131 2.096 13.258 1.00 74.13 H new ATOM 0 HD2 PHE A 143 2.466 5.900 11.260 1.00 1.24 H new ATOM 0 HE1 PHE A 143 4.346 1.430 12.355 1.00 53.45 H new ATOM 0 HE2 PHE A 143 4.671 5.219 10.335 1.00 70.42 H new ATOM 0 HZ PHE A 143 5.640 3.010 10.939 1.00 21.10 H new ATOM 2275 N GLU A 144 1.531 7.363 13.378 1.00 23.34 N ATOM 2276 CA GLU A 144 2.470 8.442 13.042 1.00 75.35 C ATOM 2277 C GLU A 144 2.773 9.388 14.204 1.00 12.41 C ATOM 2278 O GLU A 144 3.810 10.053 14.201 1.00 60.13 O ATOM 2279 CB GLU A 144 1.948 9.268 11.858 1.00 72.54 C ATOM 2280 CG GLU A 144 0.528 9.798 12.083 1.00 24.10 C ATOM 2281 CD GLU A 144 0.187 11.066 11.315 1.00 74.15 C ATOM 2282 OE1 GLU A 144 0.867 11.428 10.330 1.00 60.34 O ATOM 2283 OE2 GLU A 144 -0.874 11.651 11.639 1.00 3.13 O ATOM 0 H GLU A 144 0.652 7.413 12.863 1.00 23.34 H new ATOM 0 HA GLU A 144 3.401 7.938 12.783 1.00 75.35 H new ATOM 0 HB2 GLU A 144 2.621 10.108 11.682 1.00 72.54 H new ATOM 0 HB3 GLU A 144 1.963 8.654 10.958 1.00 72.54 H new ATOM 0 HG2 GLU A 144 -0.183 9.020 11.804 1.00 24.10 H new ATOM 0 HG3 GLU A 144 0.391 9.988 13.148 1.00 24.10 H new ATOM 2290 N GLU A 145 1.880 9.473 15.195 1.00 1.22 N ATOM 2291 CA GLU A 145 2.069 10.279 16.394 1.00 14.13 C ATOM 2292 C GLU A 145 3.255 9.725 17.222 1.00 43.44 C ATOM 2293 O GLU A 145 3.853 10.430 18.041 1.00 63.45 O ATOM 2294 CB GLU A 145 0.731 10.293 17.144 1.00 1.32 C ATOM 2295 CG GLU A 145 0.604 11.368 18.231 1.00 72.44 C ATOM 2296 CD GLU A 145 -0.377 12.479 17.818 1.00 14.23 C ATOM 2297 OE1 GLU A 145 0.030 13.400 17.076 1.00 43.24 O ATOM 2298 OE2 GLU A 145 -1.584 12.393 18.165 1.00 54.23 O ATOM 0 H GLU A 145 0.991 8.973 15.181 1.00 1.22 H new ATOM 0 HA GLU A 145 2.339 11.310 16.165 1.00 14.13 H new ATOM 0 HB2 GLU A 145 -0.072 10.434 16.420 1.00 1.32 H new ATOM 0 HB3 GLU A 145 0.579 9.316 17.602 1.00 1.32 H new ATOM 0 HG2 GLU A 145 0.264 10.909 19.159 1.00 72.44 H new ATOM 0 HG3 GLU A 145 1.584 11.802 18.430 1.00 72.44 H new ATOM 2305 N LEU A 146 3.595 8.455 16.993 1.00 64.53 N ATOM 2306 CA LEU A 146 4.494 7.615 17.806 1.00 41.21 C ATOM 2307 C LEU A 146 5.526 6.854 16.959 1.00 71.51 C ATOM 2308 O LEU A 146 6.403 6.171 17.492 1.00 54.13 O ATOM 2309 CB LEU A 146 3.651 6.639 18.614 1.00 34.43 C ATOM 2310 CG LEU A 146 2.608 7.347 19.489 1.00 31.42 C ATOM 2311 CD1 LEU A 146 1.788 6.260 20.133 1.00 61.23 C ATOM 2312 CD2 LEU A 146 3.214 8.241 20.577 1.00 53.43 C ATOM 0 H LEU A 146 3.230 7.949 16.186 1.00 64.53 H new ATOM 0 HA LEU A 146 5.062 8.270 18.466 1.00 41.21 H new ATOM 0 HB2 LEU A 146 3.145 5.953 17.935 1.00 34.43 H new ATOM 0 HB3 LEU A 146 4.304 6.038 19.247 1.00 34.43 H new ATOM 0 HG LEU A 146 2.019 8.013 18.859 1.00 31.42 H new ATOM 0 HD11 LEU A 146 1.026 6.708 20.770 1.00 61.23 H new ATOM 0 HD12 LEU A 146 1.308 5.660 19.360 1.00 61.23 H new ATOM 0 HD13 LEU A 146 2.436 5.624 20.735 1.00 61.23 H new ATOM 0 HD21 LEU A 146 2.414 8.706 21.153 1.00 53.43 H new ATOM 0 HD22 LEU A 146 3.835 7.638 21.240 1.00 53.43 H new ATOM 0 HD23 LEU A 146 3.825 9.015 20.113 1.00 53.43 H new ATOM 2324 N HIS A 147 5.424 6.975 15.641 1.00 14.41 N ATOM 2325 CA HIS A 147 6.320 6.494 14.595 1.00 11.43 C ATOM 2326 C HIS A 147 6.628 7.674 13.646 1.00 32.42 C ATOM 2327 O HIS A 147 6.100 7.740 12.530 1.00 13.44 O ATOM 2328 CB HIS A 147 5.700 5.303 13.855 1.00 21.42 C ATOM 2329 CG HIS A 147 5.661 4.014 14.633 1.00 12.01 C ATOM 2330 ND1 HIS A 147 6.456 2.922 14.382 1.00 52.05 N ATOM 2331 CD2 HIS A 147 4.806 3.681 15.650 1.00 63.22 C ATOM 2332 CE1 HIS A 147 6.095 1.950 15.228 1.00 62.35 C ATOM 2333 NE2 HIS A 147 5.108 2.370 16.038 1.00 63.53 N ATOM 0 H HIS A 147 4.627 7.465 15.235 1.00 14.41 H new ATOM 0 HA HIS A 147 7.253 6.133 15.028 1.00 11.43 H new ATOM 0 HB2 HIS A 147 4.682 5.565 13.566 1.00 21.42 H new ATOM 0 HB3 HIS A 147 6.260 5.136 12.935 1.00 21.42 H new ATOM 0 HD2 HIS A 147 4.040 4.313 16.074 1.00 63.22 H new ATOM 0 HE1 HIS A 147 6.536 0.964 15.256 1.00 62.35 H new ATOM 0 HE2 HIS A 147 4.666 1.838 16.788 1.00 63.53 H new ATOM 2341 N PRO A 148 7.430 8.653 14.097 1.00 12.14 N ATOM 2342 CA PRO A 148 7.596 9.939 13.433 1.00 23.50 C ATOM 2343 C PRO A 148 8.410 9.830 12.148 1.00 75.51 C ATOM 2344 O PRO A 148 9.531 9.284 12.171 1.00 22.32 O ATOM 2345 CB PRO A 148 8.283 10.837 14.468 1.00 0.23 C ATOM 2346 CG PRO A 148 9.083 9.856 15.324 1.00 0.10 C ATOM 2347 CD PRO A 148 8.152 8.646 15.359 1.00 24.14 C ATOM 0 HA PRO A 148 6.637 10.346 13.114 1.00 23.50 H new ATOM 0 HB2 PRO A 148 8.930 11.574 13.992 1.00 0.23 H new ATOM 0 HB3 PRO A 148 7.557 11.389 15.064 1.00 0.23 H new ATOM 0 HG2 PRO A 148 10.049 9.617 14.878 1.00 0.10 H new ATOM 0 HG3 PRO A 148 9.281 10.249 16.321 1.00 0.10 H new ATOM 0 HD2 PRO A 148 8.718 7.722 15.478 1.00 24.14 H new ATOM 0 HD3 PRO A 148 7.464 8.709 16.202 1.00 24.14 H new