USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=32 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= -0.31 K(o=1.3,f=-1.2!) USER MOD Set 1.2: A 140 ASN : amide:sc= 1.57 K(o=1.3,f=-7.2!) USER MOD Set 2.1: A 106 THR OG1 : rot 111:sc= 0.645 USER MOD Set 2.2: A 111 TYR OH : rot 114:sc= 0.313 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= -0.172 K(o=-0.17,f=-1.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -3:sc= 0.503 USER MOD Single : A 16 SER OG : rot -18:sc= 0.123 USER MOD Single : A 17 SER OG : rot 49:sc= 0.959 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.5 K(o=-1.5,f=-6.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -14:sc= 1.24 USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.014) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot -147:sc= 1.1 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 80:sc= -0.0139 USER MOD Single : A 44 GLN : amide:sc= -2.5 K(o=-2.5,f=-1.1!) 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+ -160:sc= 0.539 (180deg=-0.316) USER MOD Single : A 60 THR OG1 : rot -157:sc= 0.279 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 41:sc= 0.0185 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0165 X(o=-0.017,f=-0.4) USER MOD Single : A 85 HIS : no HE2:sc= 0.547 K(o=0.55,f=-2.4!) USER MOD Single : A 86 LYS NZ :NH3+ 165:sc= 1.25 (180deg=1.08) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0304 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 166:sc= 1.05 USER MOD Single : A 115 CYS SG : rot 164:sc= 0.176 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.0747 K(o=-0.075,f=-1) USER MOD Single : A 120 TYR OH : rot 34:sc= 0.852 USER MOD Single : A 121 ASN : amide:sc= 1.03 K(o=1,f=-4!) USER MOD Single : A 127 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 132 THR OG1 : rot 69:sc= 0.101 USER MOD Single : A 134 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 HIS : no HE2:sc= -0.292 K(o=-0.29,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 33 N GLU A 4 22.414 6.308 -4.022 1.00 1.22 N ATOM 34 CA GLU A 4 21.144 5.595 -4.032 1.00 4.12 C ATOM 35 C GLU A 4 20.902 4.782 -2.772 1.00 33.24 C ATOM 36 O GLU A 4 21.822 4.449 -2.017 1.00 33.42 O ATOM 37 CB GLU A 4 20.967 4.762 -5.308 1.00 75.33 C ATOM 38 CG GLU A 4 21.903 3.595 -5.323 1.00 44.40 C ATOM 39 CD GLU A 4 21.984 2.780 -6.613 1.00 23.11 C ATOM 40 OE1 GLU A 4 21.816 3.328 -7.724 1.00 42.24 O ATOM 41 OE2 GLU A 4 22.404 1.602 -6.531 1.00 20.22 O ATOM 0 HA GLU A 4 20.368 6.360 -4.038 1.00 4.12 H new ATOM 0 HB2 GLU A 4 19.938 4.408 -5.375 1.00 75.33 H new ATOM 0 HB3 GLU A 4 21.147 5.388 -6.182 1.00 75.33 H new ATOM 0 HG2 GLU A 4 22.903 3.961 -5.092 1.00 44.40 H new ATOM 0 HG3 GLU A 4 21.616 2.921 -4.516 1.00 44.40 H new ATOM 48 N GLU A 5 19.632 4.436 -2.600 1.00 64.20 N ATOM 49 CA GLU A 5 19.176 3.499 -1.607 1.00 34.11 C ATOM 50 C GLU A 5 19.314 2.078 -2.148 1.00 32.45 C ATOM 51 O GLU A 5 19.359 1.827 -3.356 1.00 33.04 O ATOM 52 CB GLU A 5 17.697 3.770 -1.307 1.00 24.42 C ATOM 53 CG GLU A 5 17.376 4.098 0.142 1.00 13.11 C ATOM 54 CD GLU A 5 18.118 5.322 0.629 1.00 44.32 C ATOM 55 OE1 GLU A 5 17.607 6.441 0.408 1.00 44.21 O ATOM 56 OE2 GLU A 5 19.119 5.155 1.356 1.00 21.11 O ATOM 0 H GLU A 5 18.876 4.817 -3.170 1.00 64.20 H new ATOM 0 HA GLU A 5 19.771 3.609 -0.701 1.00 34.11 H new ATOM 0 HB2 GLU A 5 17.363 4.598 -1.932 1.00 24.42 H new ATOM 0 HB3 GLU A 5 17.118 2.895 -1.601 1.00 24.42 H new ATOM 0 HG2 GLU A 5 16.303 4.260 0.247 1.00 13.11 H new ATOM 0 HG3 GLU A 5 17.633 3.246 0.771 1.00 13.11 H new ATOM 63 N ASP A 6 19.255 1.132 -1.223 1.00 61.20 N ATOM 64 CA ASP A 6 19.270 -0.293 -1.494 1.00 35.01 C ATOM 65 C ASP A 6 17.827 -0.810 -1.485 1.00 71.12 C ATOM 66 O ASP A 6 16.893 -0.030 -1.345 1.00 61.40 O ATOM 67 CB ASP A 6 20.163 -0.995 -0.467 1.00 53.30 C ATOM 68 CG ASP A 6 20.903 -2.157 -1.120 1.00 3.43 C ATOM 69 OD1 ASP A 6 20.267 -3.013 -1.764 1.00 12.43 O ATOM 70 OD2 ASP A 6 22.143 -2.227 -0.983 1.00 75.32 O ATOM 0 H ASP A 6 19.193 1.346 -0.228 1.00 61.20 H new ATOM 0 HA ASP A 6 19.690 -0.506 -2.477 1.00 35.01 H new ATOM 0 HB2 ASP A 6 20.879 -0.286 -0.052 1.00 53.30 H new ATOM 0 HB3 ASP A 6 19.558 -1.360 0.363 1.00 53.30 H new ATOM 75 N PHE A 7 17.619 -2.115 -1.582 1.00 54.42 N ATOM 76 CA PHE A 7 16.318 -2.768 -1.447 1.00 34.01 C ATOM 77 C PHE A 7 16.053 -3.216 -0.007 1.00 72.41 C ATOM 78 O PHE A 7 14.908 -3.502 0.343 1.00 4.15 O ATOM 79 CB PHE A 7 16.226 -3.979 -2.377 1.00 43.34 C ATOM 80 CG PHE A 7 17.107 -5.149 -1.984 1.00 54.21 C ATOM 81 CD1 PHE A 7 16.698 -6.070 -0.997 1.00 40.23 C ATOM 82 CD2 PHE A 7 18.362 -5.300 -2.589 1.00 75.43 C ATOM 83 CE1 PHE A 7 17.548 -7.113 -0.597 1.00 35.35 C ATOM 84 CE2 PHE A 7 19.200 -6.353 -2.200 1.00 23.13 C ATOM 85 CZ PHE A 7 18.809 -7.253 -1.195 1.00 23.13 C ATOM 0 H PHE A 7 18.376 -2.774 -1.763 1.00 54.42 H new ATOM 0 HA PHE A 7 15.562 -2.034 -1.724 1.00 34.01 H new ATOM 0 HB2 PHE A 7 15.190 -4.317 -2.410 1.00 43.34 H new ATOM 0 HB3 PHE A 7 16.491 -3.665 -3.387 1.00 43.34 H new ATOM 0 HD1 PHE A 7 15.722 -5.972 -0.545 1.00 40.23 H new ATOM 0 HD2 PHE A 7 18.682 -4.607 -3.353 1.00 75.43 H new ATOM 0 HE1 PHE A 7 17.232 -7.806 0.169 1.00 35.35 H new ATOM 0 HE2 PHE A 7 20.160 -6.475 -2.680 1.00 23.13 H new ATOM 0 HZ PHE A 7 19.474 -8.046 -0.885 1.00 23.13 H new ATOM 95 N LYS A 8 17.092 -3.312 0.832 1.00 32.22 N ATOM 96 CA LYS A 8 16.955 -3.808 2.197 1.00 75.01 C ATOM 97 C LYS A 8 16.819 -2.633 3.149 1.00 33.33 C ATOM 98 O LYS A 8 15.730 -2.415 3.676 1.00 24.35 O ATOM 99 CB LYS A 8 18.087 -4.792 2.525 1.00 41.12 C ATOM 100 CG LYS A 8 17.980 -5.315 3.964 1.00 61.03 C ATOM 101 CD LYS A 8 18.842 -6.569 4.204 1.00 42.14 C ATOM 102 CE LYS A 8 18.000 -7.736 4.738 1.00 63.02 C ATOM 103 NZ LYS A 8 17.101 -8.327 3.723 1.00 44.44 N ATOM 0 H LYS A 8 18.045 -3.048 0.580 1.00 32.22 H new ATOM 0 HA LYS A 8 16.041 -4.391 2.314 1.00 75.01 H new ATOM 0 HB2 LYS A 8 18.055 -5.630 1.829 1.00 41.12 H new ATOM 0 HB3 LYS A 8 19.050 -4.300 2.387 1.00 41.12 H new ATOM 0 HG2 LYS A 8 18.286 -4.530 4.656 1.00 61.03 H new ATOM 0 HG3 LYS A 8 16.938 -5.547 4.186 1.00 61.03 H new ATOM 0 HD2 LYS A 8 19.325 -6.864 3.272 1.00 42.14 H new ATOM 0 HD3 LYS A 8 19.635 -6.336 4.914 1.00 42.14 H new ATOM 0 HE2 LYS A 8 18.666 -8.511 5.117 1.00 63.02 H new ATOM 0 HE3 LYS A 8 17.404 -7.388 5.581 1.00 63.02 H new ATOM 0 HZ1 LYS A 8 16.563 -9.108 4.149 1.00 44.44 H new ATOM 0 HZ2 LYS A 8 16.442 -7.600 3.378 1.00 44.44 H new ATOM 0 HZ3 LYS A 8 17.665 -8.689 2.928 1.00 44.44 H new ATOM 117 N THR A 9 17.878 -1.852 3.355 1.00 61.02 N ATOM 118 CA THR A 9 17.832 -0.723 4.272 1.00 21.15 C ATOM 119 C THR A 9 16.712 0.271 3.923 1.00 13.43 C ATOM 120 O THR A 9 16.128 0.845 4.850 1.00 3.43 O ATOM 121 CB THR A 9 19.231 -0.096 4.332 1.00 11.55 C ATOM 122 OG1 THR A 9 20.101 -0.903 5.092 1.00 71.23 O ATOM 123 CG2 THR A 9 19.256 1.299 4.947 1.00 51.53 C ATOM 0 H THR A 9 18.779 -1.984 2.896 1.00 61.02 H new ATOM 0 HA THR A 9 17.569 -1.065 5.273 1.00 21.15 H new ATOM 0 HB THR A 9 19.551 -0.020 3.293 1.00 11.55 H new ATOM 0 HG1 THR A 9 20.990 -0.491 5.119 1.00 71.23 H new ATOM 0 HG21 THR A 9 20.279 1.675 4.954 1.00 51.53 H new ATOM 0 HG22 THR A 9 18.628 1.967 4.358 1.00 51.53 H new ATOM 0 HG23 THR A 9 18.879 1.253 5.969 1.00 51.53 H new ATOM 131 N PHE A 10 16.352 0.462 2.639 1.00 61.00 N ATOM 132 CA PHE A 10 15.319 1.449 2.321 1.00 12.24 C ATOM 133 C PHE A 10 14.015 0.970 2.972 1.00 15.15 C ATOM 134 O PHE A 10 13.281 1.774 3.538 1.00 41.30 O ATOM 135 CB PHE A 10 15.093 1.668 0.807 1.00 63.41 C ATOM 136 CG PHE A 10 13.932 0.942 0.140 1.00 13.11 C ATOM 137 CD1 PHE A 10 13.959 -0.440 -0.085 1.00 54.32 C ATOM 138 CD2 PHE A 10 12.765 1.666 -0.178 1.00 55.44 C ATOM 139 CE1 PHE A 10 12.821 -1.107 -0.578 1.00 43.53 C ATOM 140 CE2 PHE A 10 11.645 1.014 -0.722 1.00 1.14 C ATOM 141 CZ PHE A 10 11.670 -0.376 -0.916 1.00 72.43 C ATOM 0 H PHE A 10 16.746 -0.034 1.839 1.00 61.00 H new ATOM 0 HA PHE A 10 15.650 2.413 2.706 1.00 12.24 H new ATOM 0 HB2 PHE A 10 14.956 2.737 0.642 1.00 63.41 H new ATOM 0 HB3 PHE A 10 16.008 1.380 0.289 1.00 63.41 H new ATOM 0 HD1 PHE A 10 14.860 -0.999 0.121 1.00 54.32 H new ATOM 0 HD2 PHE A 10 12.731 2.731 -0.002 1.00 55.44 H new ATOM 0 HE1 PHE A 10 12.833 -2.180 -0.696 1.00 43.53 H new ATOM 0 HE2 PHE A 10 10.766 1.582 -0.990 1.00 1.14 H new ATOM 0 HZ PHE A 10 10.807 -0.882 -1.324 1.00 72.43 H new ATOM 151 N LEU A 11 13.753 -0.342 2.925 1.00 71.13 N ATOM 152 CA LEU A 11 12.487 -0.970 3.261 1.00 42.30 C ATOM 153 C LEU A 11 12.235 -0.882 4.760 1.00 32.53 C ATOM 154 O LEU A 11 11.146 -0.490 5.173 1.00 44.42 O ATOM 155 CB LEU A 11 12.514 -2.427 2.769 1.00 54.30 C ATOM 156 CG LEU A 11 11.162 -3.147 2.860 1.00 3.04 C ATOM 157 CD1 LEU A 11 10.060 -2.419 2.084 1.00 43.00 C ATOM 158 CD2 LEU A 11 11.324 -4.584 2.350 1.00 21.24 C ATOM 0 H LEU A 11 14.458 -1.020 2.636 1.00 71.13 H new ATOM 0 HA LEU A 11 11.665 -0.451 2.769 1.00 42.30 H new ATOM 0 HB2 LEU A 11 12.852 -2.443 1.733 1.00 54.30 H new ATOM 0 HB3 LEU A 11 13.249 -2.982 3.352 1.00 54.30 H new ATOM 0 HG LEU A 11 10.851 -3.156 3.905 1.00 3.04 H new ATOM 0 HD11 LEU A 11 9.124 -2.969 2.180 1.00 43.00 H new ATOM 0 HD12 LEU A 11 9.934 -1.414 2.487 1.00 43.00 H new ATOM 0 HD13 LEU A 11 10.337 -2.355 1.032 1.00 43.00 H new ATOM 0 HD21 LEU A 11 10.367 -5.102 2.412 1.00 21.24 H new ATOM 0 HD22 LEU A 11 11.661 -4.566 1.314 1.00 21.24 H new ATOM 0 HD23 LEU A 11 12.059 -5.106 2.962 1.00 21.24 H new ATOM 170 N GLN A 12 13.276 -1.154 5.555 1.00 20.55 N ATOM 171 CA GLN A 12 13.299 -0.974 7.004 1.00 31.13 C ATOM 172 C GLN A 12 12.762 0.425 7.330 1.00 43.33 C ATOM 173 O GLN A 12 11.710 0.571 7.956 1.00 14.15 O ATOM 174 CB GLN A 12 14.735 -1.182 7.546 1.00 12.14 C ATOM 175 CG GLN A 12 15.313 -2.564 7.203 1.00 21.25 C ATOM 176 CD GLN A 12 16.725 -2.803 7.735 1.00 55.01 C ATOM 177 OE1 GLN A 12 17.652 -2.035 7.506 1.00 42.10 O ATOM 178 NE2 GLN A 12 16.944 -3.903 8.433 1.00 31.24 N ATOM 0 H GLN A 12 14.156 -1.519 5.190 1.00 20.55 H new ATOM 0 HA GLN A 12 12.664 -1.715 7.490 1.00 31.13 H new ATOM 0 HB2 GLN A 12 15.387 -0.410 7.137 1.00 12.14 H new ATOM 0 HB3 GLN A 12 14.731 -1.055 8.629 1.00 12.14 H new ATOM 0 HG2 GLN A 12 14.651 -3.332 7.604 1.00 21.25 H new ATOM 0 HG3 GLN A 12 15.320 -2.683 6.120 1.00 21.25 H new ATOM 0 HE21 GLN A 12 16.176 -4.546 8.626 1.00 31.24 H new ATOM 0 HE22 GLN A 12 17.881 -4.110 8.779 1.00 31.24 H new ATOM 187 N LYS A 13 13.455 1.453 6.826 1.00 44.10 N ATOM 188 CA LYS A 13 13.125 2.861 7.036 1.00 71.22 C ATOM 189 C LYS A 13 11.730 3.179 6.521 1.00 31.43 C ATOM 190 O LYS A 13 11.001 3.955 7.138 1.00 61.41 O ATOM 191 CB LYS A 13 14.160 3.733 6.315 1.00 44.12 C ATOM 192 CG LYS A 13 15.498 3.765 7.063 1.00 54.42 C ATOM 193 CD LYS A 13 16.606 4.272 6.136 1.00 61.20 C ATOM 194 CE LYS A 13 17.911 4.484 6.911 1.00 32.42 C ATOM 195 NZ LYS A 13 18.205 5.911 7.147 1.00 12.52 N ATOM 0 H LYS A 13 14.283 1.321 6.245 1.00 44.10 H new ATOM 0 HA LYS A 13 13.144 3.070 8.106 1.00 71.22 H new ATOM 0 HB2 LYS A 13 14.317 3.352 5.306 1.00 44.12 H new ATOM 0 HB3 LYS A 13 13.775 4.748 6.216 1.00 44.12 H new ATOM 0 HG2 LYS A 13 15.420 4.412 7.937 1.00 54.42 H new ATOM 0 HG3 LYS A 13 15.745 2.767 7.426 1.00 54.42 H new ATOM 0 HD2 LYS A 13 16.769 3.556 5.331 1.00 61.20 H new ATOM 0 HD3 LYS A 13 16.297 5.209 5.672 1.00 61.20 H new ATOM 0 HE2 LYS A 13 17.849 3.966 7.868 1.00 32.42 H new ATOM 0 HE3 LYS A 13 18.735 4.034 6.358 1.00 32.42 H new ATOM 0 HZ1 LYS A 13 19.097 5.999 7.674 1.00 12.52 H new ATOM 0 HZ2 LYS A 13 18.292 6.403 6.235 1.00 12.52 H new ATOM 0 HZ3 LYS A 13 17.433 6.338 7.698 1.00 12.52 H new ATOM 209 N PHE A 14 11.357 2.593 5.389 1.00 1.43 N ATOM 210 CA PHE A 14 10.067 2.750 4.740 1.00 73.12 C ATOM 211 C PHE A 14 8.912 2.120 5.530 1.00 51.24 C ATOM 212 O PHE A 14 7.771 2.182 5.070 1.00 75.41 O ATOM 213 CB PHE A 14 10.177 2.241 3.298 1.00 60.23 C ATOM 214 CG PHE A 14 9.035 2.639 2.382 1.00 64.24 C ATOM 215 CD1 PHE A 14 8.899 3.962 1.902 1.00 53.32 C ATOM 216 CD2 PHE A 14 8.033 1.691 2.112 1.00 21.53 C ATOM 217 CE1 PHE A 14 7.743 4.328 1.184 1.00 72.42 C ATOM 218 CE2 PHE A 14 6.879 2.063 1.405 1.00 64.32 C ATOM 219 CZ PHE A 14 6.727 3.382 0.957 1.00 12.41 C ATOM 0 H PHE A 14 11.978 1.966 4.877 1.00 1.43 H new ATOM 0 HA PHE A 14 9.809 3.809 4.714 1.00 73.12 H new ATOM 0 HB2 PHE A 14 11.110 2.609 2.870 1.00 60.23 H new ATOM 0 HB3 PHE A 14 10.243 1.153 3.318 1.00 60.23 H new ATOM 0 HD1 PHE A 14 9.677 4.688 2.085 1.00 53.32 H new ATOM 0 HD2 PHE A 14 8.152 0.672 2.450 1.00 21.53 H new ATOM 0 HE1 PHE A 14 7.637 5.335 0.808 1.00 72.42 H new ATOM 0 HE2 PHE A 14 6.108 1.333 1.206 1.00 64.32 H new ATOM 0 HZ PHE A 14 5.827 3.673 0.436 1.00 12.41 H new ATOM 229 N THR A 15 9.157 1.590 6.722 1.00 4.24 N ATOM 230 CA THR A 15 8.089 1.228 7.656 1.00 21.14 C ATOM 231 C THR A 15 8.171 1.944 9.019 1.00 41.11 C ATOM 232 O THR A 15 7.360 1.667 9.905 1.00 53.23 O ATOM 233 CB THR A 15 7.980 -0.304 7.707 1.00 40.01 C ATOM 234 OG1 THR A 15 9.215 -0.921 8.027 1.00 72.20 O ATOM 235 CG2 THR A 15 7.520 -0.828 6.336 1.00 41.44 C ATOM 0 H THR A 15 10.096 1.398 7.071 1.00 4.24 H new ATOM 0 HA THR A 15 7.138 1.609 7.283 1.00 21.14 H new ATOM 0 HB THR A 15 7.261 -0.551 8.488 1.00 40.01 H new ATOM 0 HG1 THR A 15 9.913 -0.237 8.103 1.00 72.20 H new ATOM 0 HG21 THR A 15 7.442 -1.915 6.369 1.00 41.44 H new ATOM 0 HG22 THR A 15 6.547 -0.402 6.091 1.00 41.44 H new ATOM 0 HG23 THR A 15 8.245 -0.540 5.574 1.00 41.44 H new ATOM 243 N SER A 16 9.087 2.904 9.203 1.00 63.31 N ATOM 244 CA SER A 16 9.363 3.538 10.494 1.00 63.50 C ATOM 245 C SER A 16 9.178 5.059 10.508 1.00 71.13 C ATOM 246 O SER A 16 9.522 5.687 11.505 1.00 64.50 O ATOM 247 CB SER A 16 10.757 3.103 10.967 1.00 55.31 C ATOM 248 OG SER A 16 11.785 3.547 10.099 1.00 11.32 O ATOM 0 H SER A 16 9.665 3.266 8.445 1.00 63.31 H new ATOM 0 HA SER A 16 8.611 3.191 11.203 1.00 63.50 H new ATOM 0 HB2 SER A 16 10.936 3.494 11.968 1.00 55.31 H new ATOM 0 HB3 SER A 16 10.790 2.016 11.039 1.00 55.31 H new ATOM 0 HG SER A 16 11.398 3.793 9.233 1.00 11.32 H new ATOM 254 N SER A 17 8.670 5.670 9.433 1.00 41.13 N ATOM 255 CA SER A 17 8.421 7.104 9.378 1.00 4.35 C ATOM 256 C SER A 17 7.243 7.393 8.451 1.00 22.11 C ATOM 257 O SER A 17 7.352 7.233 7.229 1.00 53.11 O ATOM 258 CB SER A 17 9.688 7.833 8.922 1.00 31.31 C ATOM 259 OG SER A 17 9.476 9.216 8.687 1.00 42.34 O ATOM 0 H SER A 17 8.421 5.177 8.576 1.00 41.13 H new ATOM 0 HA SER A 17 8.161 7.470 10.371 1.00 4.35 H new ATOM 0 HB2 SER A 17 10.462 7.713 9.680 1.00 31.31 H new ATOM 0 HB3 SER A 17 10.060 7.368 8.009 1.00 31.31 H new ATOM 0 HG SER A 17 8.996 9.607 9.447 1.00 42.34 H new ATOM 265 N ALA A 18 6.118 7.830 9.010 1.00 54.23 N ATOM 266 CA ALA A 18 4.953 8.244 8.241 1.00 40.23 C ATOM 267 C ALA A 18 5.296 9.382 7.266 1.00 12.31 C ATOM 268 O ALA A 18 4.880 9.363 6.107 1.00 54.33 O ATOM 269 CB ALA A 18 3.872 8.671 9.229 1.00 20.51 C ATOM 0 H ALA A 18 5.990 7.907 10.019 1.00 54.23 H new ATOM 0 HA ALA A 18 4.598 7.414 7.630 1.00 40.23 H new ATOM 0 HB1 ALA A 18 2.984 8.988 8.682 1.00 20.51 H new ATOM 0 HB2 ALA A 18 3.619 7.832 9.877 1.00 20.51 H new ATOM 0 HB3 ALA A 18 4.239 9.499 9.835 1.00 20.51 H new ATOM 275 N SER A 19 6.093 10.359 7.715 1.00 55.13 N ATOM 276 CA SER A 19 6.523 11.481 6.885 1.00 20.25 C ATOM 277 C SER A 19 7.335 10.973 5.688 1.00 4.03 C ATOM 278 O SER A 19 7.105 11.425 4.561 1.00 1.45 O ATOM 279 CB SER A 19 7.318 12.462 7.758 1.00 55.01 C ATOM 280 OG SER A 19 7.401 13.770 7.214 1.00 53.10 O ATOM 0 H SER A 19 6.457 10.390 8.667 1.00 55.13 H new ATOM 0 HA SER A 19 5.661 12.008 6.477 1.00 20.25 H new ATOM 0 HB2 SER A 19 6.854 12.516 8.743 1.00 55.01 H new ATOM 0 HB3 SER A 19 8.326 12.073 7.901 1.00 55.01 H new ATOM 0 HG SER A 19 7.917 14.343 7.818 1.00 53.10 H new ATOM 286 N PHE A 20 8.246 10.013 5.915 1.00 2.13 N ATOM 287 CA PHE A 20 9.055 9.408 4.864 1.00 35.14 C ATOM 288 C PHE A 20 8.150 8.786 3.801 1.00 53.41 C ATOM 289 O PHE A 20 8.239 9.206 2.646 1.00 23.55 O ATOM 290 CB PHE A 20 10.048 8.404 5.452 1.00 33.55 C ATOM 291 CG PHE A 20 10.961 7.719 4.454 1.00 14.13 C ATOM 292 CD1 PHE A 20 11.695 8.466 3.513 1.00 2.04 C ATOM 293 CD2 PHE A 20 11.117 6.322 4.507 1.00 64.54 C ATOM 294 CE1 PHE A 20 12.566 7.813 2.625 1.00 20.52 C ATOM 295 CE2 PHE A 20 11.994 5.671 3.619 1.00 35.12 C ATOM 296 CZ PHE A 20 12.714 6.417 2.672 1.00 35.54 C ATOM 0 H PHE A 20 8.437 9.637 6.844 1.00 2.13 H new ATOM 0 HA PHE A 20 9.649 10.181 4.375 1.00 35.14 H new ATOM 0 HB2 PHE A 20 10.666 8.920 6.187 1.00 33.55 H new ATOM 0 HB3 PHE A 20 9.487 7.638 5.988 1.00 33.55 H new ATOM 0 HD1 PHE A 20 11.589 9.540 3.474 1.00 2.04 H new ATOM 0 HD2 PHE A 20 10.561 5.746 5.232 1.00 64.54 H new ATOM 0 HE1 PHE A 20 13.125 8.388 1.902 1.00 20.52 H new ATOM 0 HE2 PHE A 20 12.113 4.599 3.666 1.00 35.12 H new ATOM 0 HZ PHE A 20 13.379 5.919 1.982 1.00 35.54 H new ATOM 306 N GLN A 21 7.222 7.900 4.189 1.00 20.15 N ATOM 307 CA GLN A 21 6.196 7.315 3.327 1.00 4.42 C ATOM 308 C GLN A 21 5.560 8.388 2.443 1.00 11.33 C ATOM 309 O GLN A 21 5.729 8.342 1.222 1.00 53.41 O ATOM 310 CB GLN A 21 5.148 6.556 4.173 1.00 20.35 C ATOM 311 CG GLN A 21 4.401 5.474 3.365 1.00 23.25 C ATOM 312 CD GLN A 21 4.010 4.289 4.222 1.00 34.45 C ATOM 313 OE1 GLN A 21 3.006 4.339 4.922 1.00 24.21 O ATOM 314 NE2 GLN A 21 4.752 3.200 4.157 1.00 23.11 N ATOM 0 H GLN A 21 7.167 7.561 5.149 1.00 20.15 H new ATOM 0 HA GLN A 21 6.663 6.588 2.662 1.00 4.42 H new ATOM 0 HB2 GLN A 21 5.643 6.090 5.025 1.00 20.35 H new ATOM 0 HB3 GLN A 21 4.426 7.268 4.574 1.00 20.35 H new ATOM 0 HG2 GLN A 21 3.506 5.909 2.919 1.00 23.25 H new ATOM 0 HG3 GLN A 21 5.033 5.134 2.545 1.00 23.25 H new ATOM 0 HE21 GLN A 21 5.583 3.184 3.566 1.00 23.11 H new ATOM 0 HE22 GLN A 21 4.494 2.374 4.697 1.00 23.11 H new ATOM 323 N TYR A 22 4.925 9.406 3.032 1.00 42.34 N ATOM 324 CA TYR A 22 4.236 10.445 2.272 1.00 40.13 C ATOM 325 C TYR A 22 5.164 11.188 1.307 1.00 20.32 C ATOM 326 O TYR A 22 4.712 11.618 0.241 1.00 74.52 O ATOM 327 CB TYR A 22 3.552 11.444 3.218 1.00 62.32 C ATOM 328 CG TYR A 22 2.246 10.962 3.802 1.00 73.42 C ATOM 329 CD1 TYR A 22 1.196 10.587 2.945 1.00 40.01 C ATOM 330 CD2 TYR A 22 2.085 10.841 5.193 1.00 41.42 C ATOM 331 CE1 TYR A 22 0.012 10.056 3.478 1.00 4.32 C ATOM 332 CE2 TYR A 22 0.880 10.361 5.732 1.00 24.12 C ATOM 333 CZ TYR A 22 -0.170 9.965 4.876 1.00 15.13 C ATOM 334 OH TYR A 22 -1.331 9.454 5.367 1.00 52.31 O ATOM 0 H TYR A 22 4.876 9.530 4.043 1.00 42.34 H new ATOM 0 HA TYR A 22 3.482 9.940 1.669 1.00 40.13 H new ATOM 0 HB2 TYR A 22 4.236 11.678 4.034 1.00 62.32 H new ATOM 0 HB3 TYR A 22 3.372 12.373 2.676 1.00 62.32 H new ATOM 0 HD1 TYR A 22 1.301 10.708 1.877 1.00 40.01 H new ATOM 0 HD2 TYR A 22 2.894 11.119 5.852 1.00 41.42 H new ATOM 0 HE1 TYR A 22 -0.768 9.714 2.814 1.00 4.32 H new ATOM 0 HE2 TYR A 22 0.757 10.295 6.803 1.00 24.12 H new ATOM 0 HH TYR A 22 -1.302 9.457 6.347 1.00 52.31 H new ATOM 344 N SER A 23 6.447 11.357 1.635 1.00 1.12 N ATOM 345 CA SER A 23 7.429 12.007 0.764 1.00 23.52 C ATOM 346 C SER A 23 7.973 11.090 -0.351 1.00 43.34 C ATOM 347 O SER A 23 8.817 11.522 -1.139 1.00 31.22 O ATOM 348 CB SER A 23 8.545 12.619 1.623 1.00 42.11 C ATOM 349 OG SER A 23 9.321 11.654 2.312 1.00 20.22 O ATOM 0 H SER A 23 6.838 11.043 2.523 1.00 1.12 H new ATOM 0 HA SER A 23 6.918 12.805 0.226 1.00 23.52 H new ATOM 0 HB2 SER A 23 9.200 13.212 0.985 1.00 42.11 H new ATOM 0 HB3 SER A 23 8.102 13.302 2.348 1.00 42.11 H new ATOM 0 HG SER A 23 8.864 10.787 2.286 1.00 20.22 H new ATOM 355 N ARG A 24 7.528 9.830 -0.451 1.00 13.22 N ATOM 356 CA ARG A 24 8.092 8.795 -1.328 1.00 75.30 C ATOM 357 C ARG A 24 6.997 8.054 -2.106 1.00 60.33 C ATOM 358 O ARG A 24 7.143 6.865 -2.396 1.00 53.41 O ATOM 359 CB ARG A 24 8.962 7.847 -0.473 1.00 31.23 C ATOM 360 CG ARG A 24 10.261 8.486 0.045 1.00 24.33 C ATOM 361 CD ARG A 24 11.303 8.708 -1.063 1.00 4.23 C ATOM 362 NE ARG A 24 11.975 10.015 -0.956 1.00 21.12 N ATOM 363 CZ ARG A 24 13.290 10.260 -0.902 1.00 24.42 C ATOM 364 NH1 ARG A 24 14.192 9.286 -0.824 1.00 20.35 N ATOM 365 NH2 ARG A 24 13.698 11.518 -0.944 1.00 20.13 N ATOM 0 H ARG A 24 6.737 9.491 0.096 1.00 13.22 H new ATOM 0 HA ARG A 24 8.723 9.258 -2.087 1.00 75.30 H new ATOM 0 HB2 ARG A 24 8.375 7.501 0.378 1.00 31.23 H new ATOM 0 HB3 ARG A 24 9.213 6.968 -1.066 1.00 31.23 H new ATOM 0 HG2 ARG A 24 10.028 9.442 0.514 1.00 24.33 H new ATOM 0 HG3 ARG A 24 10.690 7.848 0.818 1.00 24.33 H new ATOM 0 HD2 ARG A 24 12.050 7.915 -1.018 1.00 4.23 H new ATOM 0 HD3 ARG A 24 10.816 8.633 -2.035 1.00 4.23 H new ATOM 0 HE ARG A 24 11.365 10.831 -0.919 1.00 21.12 H new ATOM 0 HH11 ARG A 24 13.890 8.312 -0.803 1.00 20.35 H new ATOM 0 HH12 ARG A 24 15.186 9.513 -0.785 1.00 20.35 H new ATOM 0 HH21 ARG A 24 13.016 12.273 -1.016 1.00 20.13 H new ATOM 0 HH22 ARG A 24 14.694 11.733 -0.904 1.00 20.13 H new ATOM 379 N ILE A 25 5.878 8.716 -2.407 1.00 55.00 N ATOM 380 CA ILE A 25 4.720 8.153 -3.094 1.00 20.41 C ATOM 381 C ILE A 25 4.238 9.116 -4.178 1.00 2.34 C ATOM 382 O ILE A 25 4.078 10.316 -3.929 1.00 0.13 O ATOM 383 CB ILE A 25 3.598 7.882 -2.077 1.00 32.55 C ATOM 384 CG1 ILE A 25 4.014 6.800 -1.071 1.00 72.41 C ATOM 385 CG2 ILE A 25 2.306 7.482 -2.809 1.00 21.11 C ATOM 386 CD1 ILE A 25 3.131 6.782 0.171 1.00 11.44 C ATOM 0 H ILE A 25 5.751 9.699 -2.168 1.00 55.00 H new ATOM 0 HA ILE A 25 5.002 7.212 -3.567 1.00 20.41 H new ATOM 0 HB ILE A 25 3.412 8.799 -1.517 1.00 32.55 H new ATOM 0 HG12 ILE A 25 3.973 5.824 -1.555 1.00 72.41 H new ATOM 0 HG13 ILE A 25 5.050 6.965 -0.773 1.00 72.41 H new ATOM 0 HG21 ILE A 25 1.518 7.292 -2.080 1.00 21.11 H new ATOM 0 HG22 ILE A 25 1.999 8.290 -3.473 1.00 21.11 H new ATOM 0 HG23 ILE A 25 2.484 6.580 -3.394 1.00 21.11 H new ATOM 0 HD11 ILE A 25 3.471 5.998 0.848 1.00 11.44 H new ATOM 0 HD12 ILE A 25 3.191 7.747 0.674 1.00 11.44 H new ATOM 0 HD13 ILE A 25 2.098 6.588 -0.119 1.00 11.44 H new ATOM 398 N LYS A 26 3.927 8.565 -5.353 1.00 52.11 N ATOM 399 CA LYS A 26 3.378 9.255 -6.500 1.00 2.33 C ATOM 400 C LYS A 26 1.877 9.272 -6.297 1.00 35.21 C ATOM 401 O LYS A 26 1.153 8.490 -6.902 1.00 74.24 O ATOM 402 CB LYS A 26 3.794 8.541 -7.813 1.00 2.03 C ATOM 403 CG LYS A 26 4.329 9.542 -8.833 1.00 42.01 C ATOM 404 CD LYS A 26 5.849 9.635 -8.698 1.00 31.53 C ATOM 405 CE LYS A 26 6.368 10.974 -9.192 1.00 71.22 C ATOM 406 NZ LYS A 26 6.050 11.227 -10.607 1.00 34.01 N ATOM 0 H LYS A 26 4.063 7.570 -5.529 1.00 52.11 H new ATOM 0 HA LYS A 26 3.756 10.274 -6.589 1.00 2.33 H new ATOM 0 HB2 LYS A 26 4.556 7.792 -7.598 1.00 2.03 H new ATOM 0 HB3 LYS A 26 2.937 8.013 -8.231 1.00 2.03 H new ATOM 0 HG2 LYS A 26 4.060 9.230 -9.842 1.00 42.01 H new ATOM 0 HG3 LYS A 26 3.877 10.521 -8.671 1.00 42.01 H new ATOM 0 HD2 LYS A 26 6.132 9.496 -7.655 1.00 31.53 H new ATOM 0 HD3 LYS A 26 6.316 8.830 -9.265 1.00 31.53 H new ATOM 0 HE2 LYS A 26 5.942 11.770 -8.582 1.00 71.22 H new ATOM 0 HE3 LYS A 26 7.449 11.011 -9.056 1.00 71.22 H new ATOM 0 HZ1 LYS A 26 6.501 12.114 -10.911 1.00 34.01 H new ATOM 0 HZ2 LYS A 26 6.405 10.441 -11.188 1.00 34.01 H new ATOM 0 HZ3 LYS A 26 5.019 11.305 -10.723 1.00 34.01 H new ATOM 420 N PHE A 27 1.389 10.105 -5.384 1.00 32.25 N ATOM 421 CA PHE A 27 -0.040 10.368 -5.416 1.00 34.23 C ATOM 422 C PHE A 27 -0.242 11.299 -6.620 1.00 60.33 C ATOM 423 O PHE A 27 0.583 12.202 -6.815 1.00 4.25 O ATOM 424 CB PHE A 27 -0.579 10.957 -4.099 1.00 40.11 C ATOM 425 CG PHE A 27 -0.207 12.399 -3.799 1.00 33.52 C ATOM 426 CD1 PHE A 27 -0.966 13.448 -4.355 1.00 34.11 C ATOM 427 CD2 PHE A 27 0.896 12.697 -2.976 1.00 13.44 C ATOM 428 CE1 PHE A 27 -0.603 14.784 -4.122 1.00 44.33 C ATOM 429 CE2 PHE A 27 1.241 14.038 -2.720 1.00 33.53 C ATOM 430 CZ PHE A 27 0.495 15.081 -3.295 1.00 55.11 C ATOM 0 H PHE A 27 1.923 10.582 -4.657 1.00 32.25 H new ATOM 0 HA PHE A 27 -0.612 9.446 -5.522 1.00 34.23 H new ATOM 0 HB2 PHE A 27 -1.666 10.881 -4.111 1.00 40.11 H new ATOM 0 HB3 PHE A 27 -0.225 10.335 -3.277 1.00 40.11 H new ATOM 0 HD1 PHE A 27 -1.830 13.223 -4.963 1.00 34.11 H new ATOM 0 HD2 PHE A 27 1.477 11.897 -2.541 1.00 13.44 H new ATOM 0 HE1 PHE A 27 -1.167 15.584 -4.578 1.00 44.33 H new ATOM 0 HE2 PHE A 27 2.081 14.266 -2.080 1.00 33.53 H new ATOM 0 HZ PHE A 27 0.764 16.109 -3.102 1.00 55.11 H new ATOM 440 N PRO A 28 -1.320 11.144 -7.400 1.00 62.32 N ATOM 441 CA PRO A 28 -2.166 9.956 -7.500 1.00 35.43 C ATOM 442 C PRO A 28 -1.493 8.869 -8.331 1.00 53.00 C ATOM 443 O PRO A 28 -0.686 9.125 -9.229 1.00 11.12 O ATOM 444 CB PRO A 28 -3.429 10.488 -8.195 1.00 75.10 C ATOM 445 CG PRO A 28 -2.886 11.555 -9.151 1.00 13.35 C ATOM 446 CD PRO A 28 -1.687 12.130 -8.405 1.00 53.12 C ATOM 0 HA PRO A 28 -2.372 9.493 -6.535 1.00 35.43 H new ATOM 0 HB2 PRO A 28 -3.955 9.698 -8.731 1.00 75.10 H new ATOM 0 HB3 PRO A 28 -4.134 10.911 -7.479 1.00 75.10 H new ATOM 0 HG2 PRO A 28 -2.593 11.124 -10.108 1.00 13.35 H new ATOM 0 HG3 PRO A 28 -3.632 12.321 -9.362 1.00 13.35 H new ATOM 0 HD2 PRO A 28 -0.858 12.317 -9.087 1.00 53.12 H new ATOM 0 HD3 PRO A 28 -1.939 13.083 -7.941 1.00 53.12 H new ATOM 454 N LEU A 29 -1.852 7.639 -7.975 1.00 74.14 N ATOM 455 CA LEU A 29 -1.261 6.407 -8.444 1.00 44.21 C ATOM 456 C LEU A 29 -1.858 5.976 -9.784 1.00 33.34 C ATOM 457 O LEU A 29 -2.343 6.796 -10.559 1.00 0.21 O ATOM 458 CB LEU A 29 -1.532 5.378 -7.342 1.00 32.34 C ATOM 459 CG LEU A 29 -0.714 5.559 -6.067 1.00 24.25 C ATOM 460 CD1 LEU A 29 0.818 5.513 -6.161 1.00 51.43 C ATOM 461 CD2 LEU A 29 -1.162 6.601 -5.111 1.00 24.25 C ATOM 0 H LEU A 29 -2.609 7.475 -7.312 1.00 74.14 H new ATOM 0 HA LEU A 29 -0.192 6.517 -8.627 1.00 44.21 H new ATOM 0 HB2 LEU A 29 -2.590 5.416 -7.084 1.00 32.34 H new ATOM 0 HB3 LEU A 29 -1.337 4.383 -7.741 1.00 32.34 H new ATOM 0 HG LEU A 29 -0.990 4.600 -5.630 1.00 24.25 H new ATOM 0 HD11 LEU A 29 1.248 5.658 -5.170 1.00 51.43 H new ATOM 0 HD12 LEU A 29 1.130 4.545 -6.554 1.00 51.43 H new ATOM 0 HD13 LEU A 29 1.166 6.303 -6.826 1.00 51.43 H new ATOM 0 HD21 LEU A 29 -0.491 6.620 -4.252 1.00 24.25 H new ATOM 0 HD22 LEU A 29 -1.151 7.574 -5.602 1.00 24.25 H new ATOM 0 HD23 LEU A 29 -2.174 6.376 -4.775 1.00 24.25 H new ATOM 473 N LYS A 30 -1.791 4.673 -10.057 1.00 55.33 N ATOM 474 CA LYS A 30 -2.287 3.986 -11.240 1.00 63.52 C ATOM 475 C LYS A 30 -3.516 3.113 -10.939 1.00 55.05 C ATOM 476 O LYS A 30 -4.056 2.437 -11.824 1.00 41.31 O ATOM 477 CB LYS A 30 -1.112 3.197 -11.799 1.00 21.53 C ATOM 478 CG LYS A 30 -0.109 4.147 -12.473 1.00 33.54 C ATOM 479 CD LYS A 30 1.032 3.340 -13.073 1.00 41.42 C ATOM 480 CE LYS A 30 1.932 4.262 -13.893 1.00 3.32 C ATOM 481 NZ LYS A 30 3.116 3.530 -14.367 1.00 32.43 N ATOM 0 H LYS A 30 -1.354 4.024 -9.403 1.00 55.33 H new ATOM 0 HA LYS A 30 -2.650 4.697 -11.982 1.00 63.52 H new ATOM 0 HB2 LYS A 30 -0.620 2.646 -10.998 1.00 21.53 H new ATOM 0 HB3 LYS A 30 -1.468 2.461 -12.520 1.00 21.53 H new ATOM 0 HG2 LYS A 30 -0.607 4.726 -13.251 1.00 33.54 H new ATOM 0 HG3 LYS A 30 0.279 4.859 -11.745 1.00 33.54 H new ATOM 0 HD2 LYS A 30 1.609 2.861 -12.281 1.00 41.42 H new ATOM 0 HD3 LYS A 30 0.636 2.545 -13.705 1.00 41.42 H new ATOM 0 HE2 LYS A 30 1.378 4.660 -14.743 1.00 3.32 H new ATOM 0 HE3 LYS A 30 2.241 5.113 -13.287 1.00 3.32 H new ATOM 0 HZ1 LYS A 30 3.719 4.169 -14.923 1.00 32.43 H new ATOM 0 HZ2 LYS A 30 3.652 3.171 -13.551 1.00 32.43 H new ATOM 0 HZ3 LYS A 30 2.815 2.732 -14.962 1.00 32.43 H new ATOM 495 N SER A 31 -3.974 3.135 -9.694 1.00 51.32 N ATOM 496 CA SER A 31 -4.875 2.183 -9.069 1.00 14.10 C ATOM 497 C SER A 31 -6.195 2.892 -8.730 1.00 20.43 C ATOM 498 O SER A 31 -6.329 3.432 -7.625 1.00 52.15 O ATOM 499 CB SER A 31 -4.174 1.578 -7.832 1.00 52.15 C ATOM 500 OG SER A 31 -2.874 2.128 -7.613 1.00 15.14 O ATOM 0 H SER A 31 -3.703 3.876 -9.048 1.00 51.32 H new ATOM 0 HA SER A 31 -5.119 1.359 -9.740 1.00 14.10 H new ATOM 0 HB2 SER A 31 -4.790 1.750 -6.950 1.00 52.15 H new ATOM 0 HB3 SER A 31 -4.091 0.498 -7.958 1.00 52.15 H new ATOM 0 HG SER A 31 -2.291 1.444 -7.222 1.00 15.14 H new ATOM 506 N PRO A 32 -7.150 2.990 -9.673 1.00 42.02 N ATOM 507 CA PRO A 32 -8.445 3.572 -9.386 1.00 13.04 C ATOM 508 C PRO A 32 -9.196 2.655 -8.434 1.00 72.34 C ATOM 509 O PRO A 32 -9.212 1.429 -8.589 1.00 20.34 O ATOM 510 CB PRO A 32 -9.152 3.744 -10.728 1.00 43.42 C ATOM 511 CG PRO A 32 -8.550 2.624 -11.572 1.00 63.15 C ATOM 512 CD PRO A 32 -7.120 2.505 -11.043 1.00 20.51 C ATOM 0 HA PRO A 32 -8.376 4.543 -8.895 1.00 13.04 H new ATOM 0 HB2 PRO A 32 -10.233 3.642 -10.632 1.00 43.42 H new ATOM 0 HB3 PRO A 32 -8.962 4.725 -11.163 1.00 43.42 H new ATOM 0 HG2 PRO A 32 -9.101 1.691 -11.452 1.00 63.15 H new ATOM 0 HG3 PRO A 32 -8.566 2.869 -12.634 1.00 63.15 H new ATOM 0 HD2 PRO A 32 -6.776 1.472 -11.082 1.00 20.51 H new ATOM 0 HD3 PRO A 32 -6.431 3.094 -11.649 1.00 20.51 H new ATOM 520 N ILE A 33 -9.803 3.280 -7.437 1.00 52.15 N ATOM 521 CA ILE A 33 -10.755 2.638 -6.550 1.00 11.40 C ATOM 522 C ILE A 33 -12.070 2.602 -7.327 1.00 63.45 C ATOM 523 O ILE A 33 -12.359 3.542 -8.071 1.00 74.13 O ATOM 524 CB ILE A 33 -10.817 3.452 -5.239 1.00 62.23 C ATOM 525 CG1 ILE A 33 -9.501 3.259 -4.448 1.00 41.15 C ATOM 526 CG2 ILE A 33 -11.991 3.061 -4.332 1.00 54.03 C ATOM 527 CD1 ILE A 33 -9.257 4.352 -3.411 1.00 23.30 C ATOM 0 H ILE A 33 -9.644 4.264 -7.220 1.00 52.15 H new ATOM 0 HA ILE A 33 -10.492 1.621 -6.259 1.00 11.40 H new ATOM 0 HB ILE A 33 -10.961 4.493 -5.530 1.00 62.23 H new ATOM 0 HG12 ILE A 33 -9.524 2.291 -3.948 1.00 41.15 H new ATOM 0 HG13 ILE A 33 -8.665 3.237 -5.147 1.00 41.15 H new ATOM 0 HG21 ILE A 33 -11.973 3.672 -3.430 1.00 54.03 H new ATOM 0 HG22 ILE A 33 -12.930 3.223 -4.862 1.00 54.03 H new ATOM 0 HG23 ILE A 33 -11.905 2.009 -4.059 1.00 54.03 H new ATOM 0 HD11 ILE A 33 -8.319 4.158 -2.892 1.00 23.30 H new ATOM 0 HD12 ILE A 33 -9.203 5.320 -3.909 1.00 23.30 H new ATOM 0 HD13 ILE A 33 -10.075 4.360 -2.691 1.00 23.30 H new ATOM 539 N ALA A 34 -12.864 1.545 -7.166 1.00 75.13 N ATOM 540 CA ALA A 34 -14.107 1.328 -7.897 1.00 35.24 C ATOM 541 C ALA A 34 -15.077 0.563 -7.000 1.00 4.44 C ATOM 542 O ALA A 34 -14.713 -0.506 -6.509 1.00 61.25 O ATOM 543 CB ALA A 34 -13.796 0.540 -9.173 1.00 73.23 C ATOM 0 H ALA A 34 -12.653 0.797 -6.505 1.00 75.13 H new ATOM 0 HA ALA A 34 -14.566 2.276 -8.177 1.00 35.24 H new ATOM 0 HB1 ALA A 34 -14.718 0.371 -9.730 1.00 73.23 H new ATOM 0 HB2 ALA A 34 -13.098 1.107 -9.790 1.00 73.23 H new ATOM 0 HB3 ALA A 34 -13.350 -0.419 -8.909 1.00 73.23 H new ATOM 549 N LEU A 35 -16.259 1.131 -6.725 1.00 23.11 N ATOM 550 CA LEU A 35 -17.226 0.581 -5.780 1.00 55.15 C ATOM 551 C LEU A 35 -18.604 0.406 -6.415 1.00 35.50 C ATOM 552 O LEU A 35 -19.040 1.283 -7.160 1.00 74.11 O ATOM 553 CB LEU A 35 -17.399 1.531 -4.593 1.00 72.34 C ATOM 554 CG LEU A 35 -16.171 1.875 -3.747 1.00 2.20 C ATOM 555 CD1 LEU A 35 -15.117 0.779 -3.520 1.00 13.31 C ATOM 556 CD2 LEU A 35 -15.515 3.175 -4.167 1.00 13.01 C ATOM 0 H LEU A 35 -16.570 1.999 -7.162 1.00 23.11 H new ATOM 0 HA LEU A 35 -16.839 -0.388 -5.465 1.00 55.15 H new ATOM 0 HB2 LEU A 35 -17.811 2.465 -4.974 1.00 72.34 H new ATOM 0 HB3 LEU A 35 -18.148 1.099 -3.929 1.00 72.34 H new ATOM 0 HG LEU A 35 -16.627 1.990 -2.763 1.00 2.20 H new ATOM 0 HD11 LEU A 35 -14.309 1.173 -2.903 1.00 13.31 H new ATOM 0 HD12 LEU A 35 -15.578 -0.070 -3.015 1.00 13.31 H new ATOM 0 HD13 LEU A 35 -14.716 0.456 -4.480 1.00 13.31 H new ATOM 0 HD21 LEU A 35 -14.650 3.368 -3.532 1.00 13.01 H new ATOM 0 HD22 LEU A 35 -15.194 3.101 -5.206 1.00 13.01 H new ATOM 0 HD23 LEU A 35 -16.229 3.992 -4.065 1.00 13.01 H new ATOM 568 N LEU A 36 -19.321 -0.655 -6.044 1.00 52.12 N ATOM 569 CA LEU A 36 -20.618 -1.030 -6.623 1.00 12.20 C ATOM 570 C LEU A 36 -21.710 -0.072 -6.172 1.00 40.42 C ATOM 571 O LEU A 36 -22.002 -0.016 -4.975 1.00 40.31 O ATOM 572 CB LEU A 36 -21.031 -2.448 -6.198 1.00 0.00 C ATOM 573 CG LEU A 36 -20.187 -3.601 -6.766 1.00 51.03 C ATOM 574 CD1 LEU A 36 -20.905 -4.928 -6.500 1.00 34.20 C ATOM 575 CD2 LEU A 36 -19.911 -3.461 -8.268 1.00 51.01 C ATOM 0 H LEU A 36 -19.011 -1.296 -5.314 1.00 52.12 H new ATOM 0 HA LEU A 36 -20.502 -0.988 -7.706 1.00 12.20 H new ATOM 0 HB2 LEU A 36 -20.997 -2.503 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -22.068 -2.605 -6.493 1.00 0.00 H new ATOM 0 HG LEU A 36 -19.221 -3.572 -6.263 1.00 51.03 H new ATOM 0 HD11 LEU A 36 -20.311 -5.750 -6.901 1.00 34.20 H new ATOM 0 HD12 LEU A 36 -21.034 -5.063 -5.426 1.00 34.20 H new ATOM 0 HD13 LEU A 36 -21.882 -4.917 -6.984 1.00 34.20 H new ATOM 0 HD21 LEU A 36 -19.311 -4.305 -8.608 1.00 51.01 H new ATOM 0 HD22 LEU A 36 -20.856 -3.445 -8.812 1.00 51.01 H new ATOM 0 HD23 LEU A 36 -19.370 -2.533 -8.454 1.00 51.01 H new ATOM 587 N LYS A 37 -22.262 0.734 -7.084 1.00 42.35 N ATOM 588 CA LYS A 37 -23.364 1.648 -6.783 1.00 63.23 C ATOM 589 C LYS A 37 -24.619 0.883 -6.346 1.00 15.12 C ATOM 590 O LYS A 37 -24.649 -0.345 -6.303 1.00 55.31 O ATOM 591 CB LYS A 37 -23.677 2.546 -7.989 1.00 71.44 C ATOM 592 CG LYS A 37 -22.409 3.129 -8.623 1.00 13.22 C ATOM 593 CD LYS A 37 -22.676 4.060 -9.797 1.00 63.21 C ATOM 594 CE LYS A 37 -23.448 5.288 -9.332 1.00 62.52 C ATOM 595 NZ LYS A 37 -23.555 6.327 -10.367 1.00 41.35 N ATOM 0 H LYS A 37 -21.954 0.770 -8.056 1.00 42.35 H new ATOM 0 HA LYS A 37 -23.048 2.281 -5.954 1.00 63.23 H new ATOM 0 HB2 LYS A 37 -24.223 1.970 -8.736 1.00 71.44 H new ATOM 0 HB3 LYS A 37 -24.330 3.360 -7.674 1.00 71.44 H new ATOM 0 HG2 LYS A 37 -21.851 3.673 -7.861 1.00 13.22 H new ATOM 0 HG3 LYS A 37 -21.774 2.310 -8.959 1.00 13.22 H new ATOM 0 HD2 LYS A 37 -21.733 4.365 -10.250 1.00 63.21 H new ATOM 0 HD3 LYS A 37 -23.243 3.534 -10.565 1.00 63.21 H new ATOM 0 HE2 LYS A 37 -24.449 4.986 -9.024 1.00 62.52 H new ATOM 0 HE3 LYS A 37 -22.957 5.707 -8.454 1.00 62.52 H new ATOM 0 HZ1 LYS A 37 -24.090 7.136 -9.992 1.00 41.35 H new ATOM 0 HZ2 LYS A 37 -22.603 6.640 -10.645 1.00 41.35 H new ATOM 0 HZ3 LYS A 37 -24.048 5.941 -11.197 1.00 41.35 H new ATOM 609 N ASP A 38 -25.691 1.626 -6.074 1.00 14.33 N ATOM 610 CA ASP A 38 -27.009 1.111 -5.707 1.00 12.04 C ATOM 611 C ASP A 38 -27.744 0.556 -6.940 1.00 60.53 C ATOM 612 O ASP A 38 -28.898 0.892 -7.211 1.00 20.52 O ATOM 613 CB ASP A 38 -27.792 2.230 -4.983 1.00 14.34 C ATOM 614 CG ASP A 38 -28.723 1.703 -3.888 1.00 24.21 C ATOM 615 OD1 ASP A 38 -28.363 0.680 -3.251 1.00 31.30 O ATOM 616 OD2 ASP A 38 -29.676 2.415 -3.517 1.00 64.52 O ATOM 0 H ASP A 38 -25.663 2.645 -6.105 1.00 14.33 H new ATOM 0 HA ASP A 38 -26.912 0.270 -5.021 1.00 12.04 H new ATOM 0 HB2 ASP A 38 -27.085 2.933 -4.542 1.00 14.34 H new ATOM 0 HB3 ASP A 38 -28.379 2.785 -5.714 1.00 14.34 H new ATOM 621 N ASP A 39 -27.033 -0.229 -7.755 1.00 40.15 N ATOM 622 CA ASP A 39 -27.467 -0.839 -9.010 1.00 14.22 C ATOM 623 C ASP A 39 -26.587 -2.075 -9.259 1.00 42.01 C ATOM 624 O ASP A 39 -26.083 -2.309 -10.361 1.00 22.10 O ATOM 625 CB ASP A 39 -27.382 0.183 -10.140 1.00 32.42 C ATOM 626 CG ASP A 39 -28.260 -0.135 -11.354 1.00 4.44 C ATOM 627 OD1 ASP A 39 -28.619 -1.303 -11.626 1.00 12.13 O ATOM 628 OD2 ASP A 39 -28.587 0.845 -12.060 1.00 35.12 O ATOM 0 H ASP A 39 -26.067 -0.471 -7.536 1.00 40.15 H new ATOM 0 HA ASP A 39 -28.508 -1.158 -8.961 1.00 14.22 H new ATOM 0 HB2 ASP A 39 -27.664 1.161 -9.750 1.00 32.42 H new ATOM 0 HB3 ASP A 39 -26.345 0.258 -10.468 1.00 32.42 H new ATOM 633 N GLY A 40 -26.295 -2.796 -8.170 1.00 41.14 N ATOM 634 CA GLY A 40 -25.483 -3.998 -8.082 1.00 43.45 C ATOM 635 C GLY A 40 -24.192 -3.875 -8.882 1.00 63.13 C ATOM 636 O GLY A 40 -23.280 -3.172 -8.474 1.00 11.40 O ATOM 0 H GLY A 40 -26.655 -2.524 -7.255 1.00 41.14 H new ATOM 0 HA2 GLY A 40 -25.244 -4.199 -7.038 1.00 43.45 H new ATOM 0 HA3 GLY A 40 -26.056 -4.850 -8.447 1.00 43.45 H new ATOM 640 N GLU A 41 -24.110 -4.549 -10.028 1.00 72.22 N ATOM 641 CA GLU A 41 -22.960 -4.536 -10.930 1.00 71.54 C ATOM 642 C GLU A 41 -22.933 -3.233 -11.726 1.00 21.12 C ATOM 643 O GLU A 41 -23.212 -3.175 -12.927 1.00 63.35 O ATOM 644 CB GLU A 41 -22.973 -5.747 -11.866 1.00 63.54 C ATOM 645 CG GLU A 41 -22.605 -7.035 -11.123 1.00 70.52 C ATOM 646 CD GLU A 41 -22.335 -8.238 -12.030 1.00 71.15 C ATOM 647 OE1 GLU A 41 -22.198 -8.096 -13.266 1.00 1.11 O ATOM 648 OE2 GLU A 41 -22.220 -9.349 -11.455 1.00 62.24 O ATOM 0 H GLU A 41 -24.870 -5.140 -10.366 1.00 72.22 H new ATOM 0 HA GLU A 41 -22.053 -4.598 -10.329 1.00 71.54 H new ATOM 0 HB2 GLU A 41 -23.962 -5.853 -12.312 1.00 63.54 H new ATOM 0 HB3 GLU A 41 -22.271 -5.584 -12.683 1.00 63.54 H new ATOM 0 HG2 GLU A 41 -21.719 -6.848 -10.516 1.00 70.52 H new ATOM 0 HG3 GLU A 41 -23.414 -7.288 -10.438 1.00 70.52 H new ATOM 655 N THR A 42 -22.610 -2.158 -11.035 1.00 52.41 N ATOM 656 CA THR A 42 -22.463 -0.828 -11.597 1.00 65.25 C ATOM 657 C THR A 42 -20.987 -0.451 -11.697 1.00 61.15 C ATOM 658 O THR A 42 -20.228 -0.590 -10.730 1.00 24.53 O ATOM 659 CB THR A 42 -23.209 0.187 -10.723 1.00 31.20 C ATOM 660 OG1 THR A 42 -24.019 -0.388 -9.717 1.00 2.21 O ATOM 661 CG2 THR A 42 -24.045 1.132 -11.576 1.00 64.43 C ATOM 0 H THR A 42 -22.436 -2.187 -10.030 1.00 52.41 H new ATOM 0 HA THR A 42 -22.889 -0.820 -12.600 1.00 65.25 H new ATOM 0 HB THR A 42 -22.425 0.740 -10.206 1.00 31.20 H new ATOM 0 HG1 THR A 42 -23.459 -0.649 -8.956 1.00 2.21 H new ATOM 0 HG21 THR A 42 -24.564 1.842 -10.931 1.00 64.43 H new ATOM 0 HG22 THR A 42 -23.395 1.674 -12.263 1.00 64.43 H new ATOM 0 HG23 THR A 42 -24.776 0.558 -12.145 1.00 64.43 H new ATOM 669 N GLU A 43 -20.583 0.088 -12.850 1.00 74.15 N ATOM 670 CA GLU A 43 -19.292 0.746 -12.963 1.00 63.44 C ATOM 671 C GLU A 43 -19.303 2.030 -12.132 1.00 33.24 C ATOM 672 O GLU A 43 -20.277 2.789 -12.173 1.00 55.24 O ATOM 673 CB GLU A 43 -18.920 1.004 -14.431 1.00 62.42 C ATOM 674 CG GLU A 43 -19.576 2.217 -15.106 1.00 31.41 C ATOM 675 CD GLU A 43 -19.025 2.420 -16.517 1.00 64.44 C ATOM 676 OE1 GLU A 43 -17.794 2.604 -16.669 1.00 71.41 O ATOM 677 OE2 GLU A 43 -19.785 2.357 -17.510 1.00 25.44 O ATOM 0 H GLU A 43 -21.132 0.079 -13.710 1.00 74.15 H new ATOM 0 HA GLU A 43 -18.518 0.089 -12.567 1.00 63.44 H new ATOM 0 HB2 GLU A 43 -17.838 1.125 -14.492 1.00 62.42 H new ATOM 0 HB3 GLU A 43 -19.174 0.115 -15.008 1.00 62.42 H new ATOM 0 HG2 GLU A 43 -20.656 2.074 -15.150 1.00 31.41 H new ATOM 0 HG3 GLU A 43 -19.397 3.111 -14.509 1.00 31.41 H new ATOM 684 N GLN A 44 -18.236 2.290 -11.377 1.00 43.15 N ATOM 685 CA GLN A 44 -17.995 3.551 -10.703 1.00 32.42 C ATOM 686 C GLN A 44 -16.515 3.627 -10.341 1.00 61.42 C ATOM 687 O GLN A 44 -15.863 2.591 -10.216 1.00 33.53 O ATOM 688 CB GLN A 44 -18.839 3.553 -9.433 1.00 13.23 C ATOM 689 CG GLN A 44 -19.075 4.947 -8.845 1.00 54.24 C ATOM 690 CD GLN A 44 -18.115 5.387 -7.743 1.00 20.40 C ATOM 691 OE1 GLN A 44 -17.943 6.577 -7.529 1.00 55.23 O ATOM 692 NE2 GLN A 44 -17.528 4.484 -6.970 1.00 62.21 N ATOM 0 H GLN A 44 -17.498 1.604 -11.217 1.00 43.15 H new ATOM 0 HA GLN A 44 -18.255 4.402 -11.332 1.00 32.42 H new ATOM 0 HB2 GLN A 44 -19.803 3.093 -9.649 1.00 13.23 H new ATOM 0 HB3 GLN A 44 -18.350 2.931 -8.683 1.00 13.23 H new ATOM 0 HG2 GLN A 44 -19.022 5.674 -9.656 1.00 54.24 H new ATOM 0 HG3 GLN A 44 -20.090 4.984 -8.450 1.00 54.24 H new ATOM 0 HE21 GLN A 44 -17.671 3.490 -7.148 1.00 62.21 H new ATOM 0 HE22 GLN A 44 -16.933 4.783 -6.197 1.00 62.21 H new ATOM 701 N THR A 45 -15.989 4.826 -10.111 1.00 40.42 N ATOM 702 CA THR A 45 -14.582 5.065 -9.824 1.00 63.31 C ATOM 703 C THR A 45 -14.421 6.227 -8.844 1.00 42.13 C ATOM 704 O THR A 45 -15.257 7.131 -8.805 1.00 43.43 O ATOM 705 CB THR A 45 -13.839 5.315 -11.151 1.00 75.52 C ATOM 706 OG1 THR A 45 -14.573 6.182 -12.013 1.00 22.30 O ATOM 707 CG2 THR A 45 -13.599 4.023 -11.926 1.00 33.21 C ATOM 0 H THR A 45 -16.546 5.680 -10.120 1.00 40.42 H new ATOM 0 HA THR A 45 -14.145 4.190 -9.343 1.00 63.31 H new ATOM 0 HB THR A 45 -12.890 5.769 -10.867 1.00 75.52 H new ATOM 0 HG1 THR A 45 -14.071 6.319 -12.843 1.00 22.30 H new ATOM 0 HG21 THR A 45 -13.073 4.248 -12.854 1.00 33.21 H new ATOM 0 HG22 THR A 45 -12.997 3.343 -11.323 1.00 33.21 H new ATOM 0 HG23 THR A 45 -14.556 3.554 -12.156 1.00 33.21 H new ATOM 715 N PHE A 46 -13.361 6.188 -8.035 1.00 64.31 N ATOM 716 CA PHE A 46 -13.043 7.144 -6.982 1.00 24.24 C ATOM 717 C PHE A 46 -11.579 7.578 -7.072 1.00 33.54 C ATOM 718 O PHE A 46 -10.748 6.794 -7.540 1.00 44.01 O ATOM 719 CB PHE A 46 -13.322 6.511 -5.603 1.00 54.31 C ATOM 720 CG PHE A 46 -14.425 7.211 -4.841 1.00 24.40 C ATOM 721 CD1 PHE A 46 -15.722 7.257 -5.371 1.00 20.54 C ATOM 722 CD2 PHE A 46 -14.135 7.892 -3.648 1.00 43.04 C ATOM 723 CE1 PHE A 46 -16.731 7.981 -4.712 1.00 35.12 C ATOM 724 CE2 PHE A 46 -15.135 8.629 -2.993 1.00 23.50 C ATOM 725 CZ PHE A 46 -16.436 8.664 -3.520 1.00 0.34 C ATOM 0 H PHE A 46 -12.665 5.446 -8.104 1.00 64.31 H new ATOM 0 HA PHE A 46 -13.672 8.025 -7.109 1.00 24.24 H new ATOM 0 HB2 PHE A 46 -13.591 5.463 -5.738 1.00 54.31 H new ATOM 0 HB3 PHE A 46 -12.408 6.532 -5.009 1.00 54.31 H new ATOM 0 HD1 PHE A 46 -15.947 6.734 -6.289 1.00 20.54 H new ATOM 0 HD2 PHE A 46 -13.139 7.849 -3.232 1.00 43.04 H new ATOM 0 HE1 PHE A 46 -17.730 8.012 -5.121 1.00 35.12 H new ATOM 0 HE2 PHE A 46 -14.904 9.168 -2.086 1.00 23.50 H new ATOM 0 HZ PHE A 46 -17.211 9.216 -3.009 1.00 0.34 H new ATOM 735 N PRO A 47 -11.248 8.780 -6.564 1.00 54.22 N ATOM 736 CA PRO A 47 -9.889 9.300 -6.539 1.00 73.33 C ATOM 737 C PRO A 47 -8.982 8.475 -5.626 1.00 60.21 C ATOM 738 O PRO A 47 -9.417 7.915 -4.626 1.00 61.13 O ATOM 739 CB PRO A 47 -10.012 10.749 -6.044 1.00 72.12 C ATOM 740 CG PRO A 47 -11.319 10.761 -5.258 1.00 74.23 C ATOM 741 CD PRO A 47 -12.173 9.767 -6.024 1.00 61.13 C ATOM 0 HA PRO A 47 -9.429 9.249 -7.526 1.00 73.33 H new ATOM 0 HB2 PRO A 47 -9.166 11.029 -5.416 1.00 72.12 H new ATOM 0 HB3 PRO A 47 -10.040 11.454 -6.875 1.00 72.12 H new ATOM 0 HG2 PRO A 47 -11.172 10.456 -4.222 1.00 74.23 H new ATOM 0 HG3 PRO A 47 -11.771 11.753 -5.237 1.00 74.23 H new ATOM 0 HD2 PRO A 47 -12.908 9.297 -5.370 1.00 61.13 H new ATOM 0 HD3 PRO A 47 -12.727 10.261 -6.822 1.00 61.13 H new ATOM 749 N PHE A 48 -7.694 8.457 -5.955 1.00 33.13 N ATOM 750 CA PHE A 48 -6.603 7.735 -5.314 1.00 22.53 C ATOM 751 C PHE A 48 -5.558 8.776 -4.891 1.00 74.31 C ATOM 752 O PHE A 48 -4.639 9.066 -5.658 1.00 15.22 O ATOM 753 CB PHE A 48 -6.032 6.666 -6.294 1.00 41.02 C ATOM 754 CG PHE A 48 -6.264 6.913 -7.787 1.00 32.22 C ATOM 755 CD1 PHE A 48 -7.564 6.797 -8.307 1.00 35.24 C ATOM 756 CD2 PHE A 48 -5.221 7.230 -8.670 1.00 74.53 C ATOM 757 CE1 PHE A 48 -7.834 7.031 -9.663 1.00 44.12 C ATOM 758 CE2 PHE A 48 -5.475 7.446 -10.038 1.00 51.04 C ATOM 759 CZ PHE A 48 -6.782 7.337 -10.539 1.00 13.42 C ATOM 0 H PHE A 48 -7.358 8.998 -6.751 1.00 33.13 H new ATOM 0 HA PHE A 48 -6.936 7.191 -4.430 1.00 22.53 H new ATOM 0 HB2 PHE A 48 -4.958 6.587 -6.124 1.00 41.02 H new ATOM 0 HB3 PHE A 48 -6.467 5.700 -6.037 1.00 41.02 H new ATOM 0 HD1 PHE A 48 -8.374 6.521 -7.648 1.00 35.24 H new ATOM 0 HD2 PHE A 48 -4.211 7.309 -8.296 1.00 74.53 H new ATOM 0 HE1 PHE A 48 -8.848 6.976 -10.031 1.00 44.12 H new ATOM 0 HE2 PHE A 48 -4.662 7.696 -10.704 1.00 51.04 H new ATOM 0 HZ PHE A 48 -6.976 7.488 -11.591 1.00 13.42 H new ATOM 769 N THR A 49 -5.741 9.429 -3.737 1.00 24.52 N ATOM 770 CA THR A 49 -4.982 10.627 -3.361 1.00 13.21 C ATOM 771 C THR A 49 -4.404 10.510 -1.944 1.00 24.22 C ATOM 772 O THR A 49 -4.779 9.609 -1.188 1.00 73.20 O ATOM 773 CB THR A 49 -5.876 11.874 -3.544 1.00 64.52 C ATOM 774 OG1 THR A 49 -7.091 11.788 -2.816 1.00 75.41 O ATOM 775 CG2 THR A 49 -6.231 12.094 -5.017 1.00 31.54 C ATOM 0 H THR A 49 -6.422 9.140 -3.035 1.00 24.52 H new ATOM 0 HA THR A 49 -4.119 10.730 -4.019 1.00 13.21 H new ATOM 0 HB THR A 49 -5.288 12.709 -3.163 1.00 64.52 H new ATOM 0 HG1 THR A 49 -7.619 12.600 -2.964 1.00 75.41 H new ATOM 0 HG21 THR A 49 -6.861 12.979 -5.111 1.00 31.54 H new ATOM 0 HG22 THR A 49 -5.317 12.236 -5.594 1.00 31.54 H new ATOM 0 HG23 THR A 49 -6.768 11.224 -5.396 1.00 31.54 H new ATOM 783 N ARG A 50 -3.469 11.397 -1.560 1.00 74.24 N ATOM 784 CA ARG A 50 -2.854 11.399 -0.221 1.00 75.41 C ATOM 785 C ARG A 50 -3.912 11.432 0.890 1.00 60.24 C ATOM 786 O ARG A 50 -3.746 10.780 1.918 1.00 20.44 O ATOM 787 CB ARG A 50 -1.855 12.570 -0.106 1.00 14.13 C ATOM 788 CG ARG A 50 -1.224 12.670 1.291 1.00 32.55 C ATOM 789 CD ARG A 50 -0.009 13.605 1.366 1.00 20.24 C ATOM 790 NE ARG A 50 0.314 13.916 2.770 1.00 34.34 N ATOM 791 CZ ARG A 50 1.112 14.900 3.196 1.00 40.31 C ATOM 792 NH1 ARG A 50 1.985 15.490 2.388 1.00 31.22 N ATOM 793 NH2 ARG A 50 1.039 15.300 4.458 1.00 63.14 N ATOM 0 H ARG A 50 -3.118 12.134 -2.171 1.00 74.24 H new ATOM 0 HA ARG A 50 -2.304 10.467 -0.089 1.00 75.41 H new ATOM 0 HB2 ARG A 50 -1.067 12.445 -0.849 1.00 14.13 H new ATOM 0 HB3 ARG A 50 -2.367 13.504 -0.338 1.00 14.13 H new ATOM 0 HG2 ARG A 50 -1.980 13.018 1.995 1.00 32.55 H new ATOM 0 HG3 ARG A 50 -0.922 11.673 1.613 1.00 32.55 H new ATOM 0 HD2 ARG A 50 0.849 13.136 0.884 1.00 20.24 H new ATOM 0 HD3 ARG A 50 -0.217 14.526 0.821 1.00 20.24 H new ATOM 0 HE ARG A 50 -0.112 13.325 3.484 1.00 34.34 H new ATOM 0 HH11 ARG A 50 2.059 15.195 1.415 1.00 31.22 H new ATOM 0 HH12 ARG A 50 2.581 16.239 2.741 1.00 31.22 H new ATOM 0 HH21 ARG A 50 0.377 14.857 5.096 1.00 63.14 H new ATOM 0 HH22 ARG A 50 1.644 16.050 4.791 1.00 63.14 H new ATOM 807 N GLU A 51 -5.024 12.116 0.627 1.00 33.24 N ATOM 808 CA GLU A 51 -6.193 12.288 1.484 1.00 33.22 C ATOM 809 C GLU A 51 -6.822 10.964 1.963 1.00 11.04 C ATOM 810 O GLU A 51 -7.615 10.968 2.898 1.00 73.13 O ATOM 811 CB GLU A 51 -7.205 13.122 0.671 1.00 75.54 C ATOM 812 CG GLU A 51 -8.231 13.904 1.502 1.00 31.53 C ATOM 813 CD GLU A 51 -7.668 15.212 2.057 1.00 12.31 C ATOM 814 OE1 GLU A 51 -6.638 15.185 2.770 1.00 1.33 O ATOM 815 OE2 GLU A 51 -8.291 16.267 1.795 1.00 64.10 O ATOM 0 H GLU A 51 -5.139 12.603 -0.262 1.00 33.24 H new ATOM 0 HA GLU A 51 -5.892 12.788 2.405 1.00 33.22 H new ATOM 0 HB2 GLU A 51 -6.653 13.827 0.049 1.00 75.54 H new ATOM 0 HB3 GLU A 51 -7.742 12.455 -0.003 1.00 75.54 H new ATOM 0 HG2 GLU A 51 -9.102 14.122 0.884 1.00 31.53 H new ATOM 0 HG3 GLU A 51 -8.573 13.281 2.328 1.00 31.53 H new ATOM 822 N LYS A 52 -6.485 9.816 1.368 1.00 52.04 N ATOM 823 CA LYS A 52 -7.097 8.518 1.659 1.00 63.34 C ATOM 824 C LYS A 52 -6.024 7.440 1.827 1.00 4.41 C ATOM 825 O LYS A 52 -6.250 6.268 1.521 1.00 21.43 O ATOM 826 CB LYS A 52 -8.116 8.214 0.566 1.00 62.53 C ATOM 827 CG LYS A 52 -7.527 7.994 -0.834 1.00 74.11 C ATOM 828 CD LYS A 52 -8.289 6.914 -1.598 1.00 21.54 C ATOM 829 CE LYS A 52 -9.736 7.269 -1.936 1.00 54.21 C ATOM 830 NZ LYS A 52 -10.689 7.085 -0.824 1.00 61.12 N ATOM 0 H LYS A 52 -5.760 9.763 0.652 1.00 52.04 H new ATOM 0 HA LYS A 52 -7.629 8.538 2.610 1.00 63.34 H new ATOM 0 HB2 LYS A 52 -8.676 7.323 0.851 1.00 62.53 H new ATOM 0 HB3 LYS A 52 -8.829 9.037 0.517 1.00 62.53 H new ATOM 0 HG2 LYS A 52 -7.559 8.928 -1.394 1.00 74.11 H new ATOM 0 HG3 LYS A 52 -6.478 7.709 -0.748 1.00 74.11 H new ATOM 0 HD2 LYS A 52 -7.756 6.700 -2.524 1.00 21.54 H new ATOM 0 HD3 LYS A 52 -8.283 5.998 -1.007 1.00 21.54 H new ATOM 0 HE2 LYS A 52 -9.775 8.308 -2.262 1.00 54.21 H new ATOM 0 HE3 LYS A 52 -10.059 6.658 -2.779 1.00 54.21 H new ATOM 0 HZ1 LYS A 52 -11.655 7.014 -1.203 1.00 61.12 H new ATOM 0 HZ2 LYS A 52 -10.455 6.214 -0.307 1.00 61.12 H new ATOM 0 HZ3 LYS A 52 -10.630 7.898 -0.178 1.00 61.12 H new ATOM 844 N TRP A 53 -4.805 7.836 2.187 1.00 35.31 N ATOM 845 CA TRP A 53 -3.746 6.874 2.397 1.00 40.00 C ATOM 846 C TRP A 53 -3.962 6.162 3.737 1.00 40.40 C ATOM 847 O TRP A 53 -4.294 6.841 4.707 1.00 60.32 O ATOM 848 CB TRP A 53 -2.419 7.625 2.373 1.00 74.21 C ATOM 849 CG TRP A 53 -1.200 6.766 2.432 1.00 72.43 C ATOM 850 CD1 TRP A 53 -0.477 6.496 3.538 1.00 4.44 C ATOM 851 CD2 TRP A 53 -0.602 5.983 1.364 1.00 43.04 C ATOM 852 NE1 TRP A 53 0.514 5.582 3.230 1.00 52.01 N ATOM 853 CE2 TRP A 53 0.471 5.218 1.904 1.00 15.01 C ATOM 854 CE3 TRP A 53 -0.900 5.805 0.000 1.00 40.41 C ATOM 855 CZ2 TRP A 53 1.195 4.298 1.135 1.00 72.21 C ATOM 856 CZ3 TRP A 53 -0.172 4.898 -0.785 1.00 1.24 C ATOM 857 CH2 TRP A 53 0.865 4.129 -0.218 1.00 64.41 C ATOM 0 H TRP A 53 -4.536 8.808 2.336 1.00 35.31 H new ATOM 0 HA TRP A 53 -3.743 6.114 1.615 1.00 40.00 H new ATOM 0 HB2 TRP A 53 -2.377 8.226 1.465 1.00 74.21 H new ATOM 0 HB3 TRP A 53 -2.397 8.317 3.214 1.00 74.21 H new ATOM 0 HD1 TRP A 53 -0.646 6.927 4.514 1.00 4.44 H new ATOM 0 HE1 TRP A 53 1.192 5.223 3.902 1.00 52.01 H new ATOM 0 HE3 TRP A 53 -1.700 6.375 -0.449 1.00 40.41 H new ATOM 0 HZ2 TRP A 53 1.997 3.726 1.578 1.00 72.21 H new ATOM 0 HZ3 TRP A 53 -0.408 4.788 -1.833 1.00 1.24 H new ATOM 0 HH2 TRP A 53 1.403 3.413 -0.822 1.00 64.41 H new ATOM 868 N ALA A 54 -3.710 4.854 3.830 1.00 1.41 N ATOM 869 CA ALA A 54 -3.398 4.204 5.106 1.00 71.53 C ATOM 870 C ALA A 54 -1.913 3.867 5.135 1.00 23.51 C ATOM 871 O ALA A 54 -1.391 3.376 4.135 1.00 14.35 O ATOM 872 CB ALA A 54 -4.211 2.926 5.312 1.00 23.40 C ATOM 0 H ALA A 54 -3.716 4.220 3.031 1.00 1.41 H new ATOM 0 HA ALA A 54 -3.656 4.893 5.910 1.00 71.53 H new ATOM 0 HB1 ALA A 54 -3.948 2.478 6.270 1.00 23.40 H new ATOM 0 HB2 ALA A 54 -5.274 3.166 5.304 1.00 23.40 H new ATOM 0 HB3 ALA A 54 -3.992 2.222 4.509 1.00 23.40 H new ATOM 878 N LEU A 55 -1.241 4.156 6.247 1.00 34.23 N ATOM 879 CA LEU A 55 0.172 3.823 6.497 1.00 2.24 C ATOM 880 C LEU A 55 0.410 2.318 6.715 1.00 62.42 C ATOM 881 O LEU A 55 -0.524 1.571 6.998 1.00 22.42 O ATOM 882 CB LEU A 55 0.619 4.631 7.744 1.00 52.43 C ATOM 883 CG LEU A 55 0.529 6.178 7.625 1.00 73.23 C ATOM 884 CD1 LEU A 55 0.599 6.942 8.947 1.00 63.12 C ATOM 885 CD2 LEU A 55 1.639 6.710 6.720 1.00 60.14 C ATOM 0 H LEU A 55 -1.674 4.645 7.030 1.00 34.23 H new ATOM 0 HA LEU A 55 0.758 4.085 5.616 1.00 2.24 H new ATOM 0 HB2 LEU A 55 0.011 4.316 8.593 1.00 52.43 H new ATOM 0 HB3 LEU A 55 1.650 4.364 7.974 1.00 52.43 H new ATOM 0 HG LEU A 55 -0.463 6.354 7.208 1.00 73.23 H new ATOM 0 HD11 LEU A 55 0.528 8.012 8.753 1.00 63.12 H new ATOM 0 HD12 LEU A 55 -0.226 6.634 9.589 1.00 63.12 H new ATOM 0 HD13 LEU A 55 1.545 6.726 9.443 1.00 63.12 H new ATOM 0 HD21 LEU A 55 1.561 7.795 6.648 1.00 60.14 H new ATOM 0 HD22 LEU A 55 2.609 6.443 7.139 1.00 60.14 H new ATOM 0 HD23 LEU A 55 1.540 6.272 5.727 1.00 60.14 H new ATOM 897 N LEU A 56 1.663 1.863 6.531 1.00 12.45 N ATOM 898 CA LEU A 56 2.012 0.434 6.402 1.00 43.02 C ATOM 899 C LEU A 56 3.001 -0.014 7.489 1.00 53.14 C ATOM 900 O LEU A 56 3.944 0.725 7.776 1.00 62.30 O ATOM 901 CB LEU A 56 2.718 0.216 5.057 1.00 53.14 C ATOM 902 CG LEU A 56 1.922 0.383 3.754 1.00 73.51 C ATOM 903 CD1 LEU A 56 1.075 -0.836 3.382 1.00 64.51 C ATOM 904 CD2 LEU A 56 1.137 1.647 3.563 1.00 54.42 C ATOM 0 H LEU A 56 2.471 2.483 6.467 1.00 12.45 H new ATOM 0 HA LEU A 56 1.087 -0.136 6.489 1.00 43.02 H new ATOM 0 HB2 LEU A 56 3.563 0.904 5.015 1.00 53.14 H new ATOM 0 HB3 LEU A 56 3.129 -0.794 5.063 1.00 53.14 H new ATOM 0 HG LEU A 56 2.747 0.476 3.048 1.00 73.51 H new ATOM 0 HD11 LEU A 56 0.544 -0.639 2.451 1.00 64.51 H new ATOM 0 HD12 LEU A 56 1.722 -1.704 3.254 1.00 64.51 H new ATOM 0 HD13 LEU A 56 0.355 -1.034 4.176 1.00 64.51 H new ATOM 0 HD21 LEU A 56 0.630 1.618 2.599 1.00 54.42 H new ATOM 0 HD22 LEU A 56 0.398 1.740 4.359 1.00 54.42 H new ATOM 0 HD23 LEU A 56 1.812 2.502 3.593 1.00 54.42 H new ATOM 916 N ASP A 57 2.881 -1.230 8.025 1.00 33.24 N ATOM 917 CA ASP A 57 3.785 -1.727 9.071 1.00 40.44 C ATOM 918 C ASP A 57 5.004 -2.425 8.471 1.00 41.31 C ATOM 919 O ASP A 57 5.009 -2.766 7.283 1.00 3.04 O ATOM 920 CB ASP A 57 3.095 -2.747 9.983 1.00 24.25 C ATOM 921 CG ASP A 57 1.760 -2.276 10.548 1.00 20.52 C ATOM 922 OD1 ASP A 57 1.713 -1.181 11.150 1.00 71.22 O ATOM 923 OD2 ASP A 57 0.766 -3.035 10.494 1.00 44.24 O ATOM 0 H ASP A 57 2.160 -1.897 7.750 1.00 33.24 H new ATOM 0 HA ASP A 57 4.085 -0.848 9.642 1.00 40.44 H new ATOM 0 HB2 ASP A 57 2.935 -3.669 9.423 1.00 24.25 H new ATOM 0 HB3 ASP A 57 3.762 -2.988 10.810 1.00 24.25 H new ATOM 928 N GLU A 58 6.006 -2.742 9.307 1.00 41.30 N ATOM 929 CA GLU A 58 7.117 -3.587 8.907 1.00 51.44 C ATOM 930 C GLU A 58 6.609 -4.960 8.475 1.00 63.53 C ATOM 931 O GLU A 58 7.068 -5.469 7.456 1.00 75.50 O ATOM 932 CB GLU A 58 8.173 -3.703 10.018 1.00 52.11 C ATOM 933 CG GLU A 58 9.482 -4.135 9.353 1.00 43.21 C ATOM 934 CD GLU A 58 10.608 -4.508 10.312 1.00 40.03 C ATOM 935 OE1 GLU A 58 10.526 -5.596 10.918 1.00 62.51 O ATOM 936 OE2 GLU A 58 11.672 -3.839 10.289 1.00 52.13 O ATOM 0 H GLU A 58 6.059 -2.416 10.272 1.00 41.30 H new ATOM 0 HA GLU A 58 7.607 -3.118 8.054 1.00 51.44 H new ATOM 0 HB2 GLU A 58 8.298 -2.750 10.531 1.00 52.11 H new ATOM 0 HB3 GLU A 58 7.864 -4.431 10.768 1.00 52.11 H new ATOM 0 HG2 GLU A 58 9.278 -4.990 8.708 1.00 43.21 H new ATOM 0 HG3 GLU A 58 9.828 -3.326 8.710 1.00 43.21 H new ATOM 943 N GLU A 59 5.658 -5.549 9.213 1.00 71.31 N ATOM 944 CA GLU A 59 5.081 -6.838 8.836 1.00 20.33 C ATOM 945 C GLU A 59 4.245 -6.739 7.559 1.00 43.14 C ATOM 946 O GLU A 59 4.129 -7.735 6.842 1.00 12.41 O ATOM 947 CB GLU A 59 4.260 -7.464 9.980 1.00 24.40 C ATOM 948 CG GLU A 59 5.128 -7.862 11.188 1.00 24.11 C ATOM 949 CD GLU A 59 4.407 -8.812 12.159 1.00 21.22 C ATOM 950 OE1 GLU A 59 4.259 -10.012 11.831 1.00 54.03 O ATOM 951 OE2 GLU A 59 4.067 -8.407 13.294 1.00 2.02 O ATOM 0 H GLU A 59 5.276 -5.151 10.071 1.00 71.31 H new ATOM 0 HA GLU A 59 5.922 -7.501 8.633 1.00 20.33 H new ATOM 0 HB2 GLU A 59 3.497 -6.756 10.304 1.00 24.40 H new ATOM 0 HB3 GLU A 59 3.738 -8.345 9.607 1.00 24.40 H new ATOM 0 HG2 GLU A 59 6.040 -8.340 10.831 1.00 24.11 H new ATOM 0 HG3 GLU A 59 5.428 -6.962 11.725 1.00 24.11 H new ATOM 958 N THR A 60 3.694 -5.560 7.252 1.00 71.31 N ATOM 959 CA THR A 60 2.930 -5.344 6.039 1.00 34.51 C ATOM 960 C THR A 60 3.867 -5.382 4.827 1.00 33.14 C ATOM 961 O THR A 60 3.608 -6.134 3.885 1.00 72.24 O ATOM 962 CB THR A 60 2.167 -4.013 6.122 1.00 0.40 C ATOM 963 OG1 THR A 60 1.523 -3.834 7.367 1.00 34.41 O ATOM 964 CG2 THR A 60 1.084 -3.940 5.061 1.00 13.23 C ATOM 0 H THR A 60 3.771 -4.733 7.845 1.00 71.31 H new ATOM 0 HA THR A 60 2.193 -6.139 5.924 1.00 34.51 H new ATOM 0 HB THR A 60 2.920 -3.238 5.979 1.00 0.40 H new ATOM 0 HG1 THR A 60 0.783 -3.200 7.264 1.00 34.41 H new ATOM 0 HG21 THR A 60 0.559 -2.988 5.142 1.00 13.23 H new ATOM 0 HG22 THR A 60 1.537 -4.022 4.073 1.00 13.23 H new ATOM 0 HG23 THR A 60 0.377 -4.757 5.205 1.00 13.23 H new ATOM 972 N LEU A 61 4.938 -4.573 4.817 1.00 64.23 N ATOM 973 CA LEU A 61 5.874 -4.503 3.700 1.00 1.22 C ATOM 974 C LEU A 61 7.133 -5.277 4.067 1.00 31.13 C ATOM 975 O LEU A 61 8.236 -4.722 4.123 1.00 1.05 O ATOM 976 CB LEU A 61 6.179 -3.043 3.366 1.00 4.31 C ATOM 977 CG LEU A 61 4.939 -2.225 2.974 1.00 2.13 C ATOM 978 CD1 LEU A 61 5.307 -0.765 3.193 1.00 11.41 C ATOM 979 CD2 LEU A 61 4.469 -2.483 1.541 1.00 54.42 C ATOM 0 H LEU A 61 5.174 -3.950 5.589 1.00 64.23 H new ATOM 0 HA LEU A 61 5.439 -4.954 2.808 1.00 1.22 H new ATOM 0 HB2 LEU A 61 6.654 -2.574 4.228 1.00 4.31 H new ATOM 0 HB3 LEU A 61 6.898 -3.010 2.548 1.00 4.31 H new ATOM 0 HG LEU A 61 4.090 -2.521 3.590 1.00 2.13 H new ATOM 0 HD11 LEU A 61 4.459 -0.133 2.929 1.00 11.41 H new ATOM 0 HD12 LEU A 61 5.565 -0.608 4.240 1.00 11.41 H new ATOM 0 HD13 LEU A 61 6.161 -0.507 2.566 1.00 11.41 H new ATOM 0 HD21 LEU A 61 3.590 -1.873 1.331 1.00 54.42 H new ATOM 0 HD22 LEU A 61 5.266 -2.223 0.844 1.00 54.42 H new ATOM 0 HD23 LEU A 61 4.216 -3.537 1.425 1.00 54.42 H new ATOM 991 N LYS A 62 6.972 -6.569 4.331 1.00 72.10 N ATOM 992 CA LYS A 62 8.076 -7.473 4.614 1.00 2.04 C ATOM 993 C LYS A 62 8.308 -8.350 3.405 1.00 61.10 C ATOM 994 O LYS A 62 7.431 -8.491 2.557 1.00 44.34 O ATOM 995 CB LYS A 62 7.765 -8.325 5.859 1.00 42.14 C ATOM 996 CG LYS A 62 8.849 -8.121 6.918 1.00 0.23 C ATOM 997 CD LYS A 62 8.546 -8.861 8.225 1.00 13.43 C ATOM 998 CE LYS A 62 9.399 -8.313 9.375 1.00 34.33 C ATOM 999 NZ LYS A 62 10.451 -9.259 9.791 1.00 42.04 N ATOM 0 H LYS A 62 6.058 -7.022 4.354 1.00 72.10 H new ATOM 0 HA LYS A 62 8.980 -6.900 4.822 1.00 2.04 H new ATOM 0 HB2 LYS A 62 6.792 -8.048 6.265 1.00 42.14 H new ATOM 0 HB3 LYS A 62 7.708 -9.378 5.584 1.00 42.14 H new ATOM 0 HG2 LYS A 62 9.805 -8.465 6.524 1.00 0.23 H new ATOM 0 HG3 LYS A 62 8.954 -7.056 7.124 1.00 0.23 H new ATOM 0 HD2 LYS A 62 7.489 -8.757 8.470 1.00 13.43 H new ATOM 0 HD3 LYS A 62 8.741 -9.926 8.098 1.00 13.43 H new ATOM 0 HE2 LYS A 62 9.859 -7.374 9.068 1.00 34.33 H new ATOM 0 HE3 LYS A 62 8.757 -8.090 10.227 1.00 34.33 H new ATOM 0 HZ1 LYS A 62 11.002 -8.845 10.570 1.00 42.04 H new ATOM 0 HZ2 LYS A 62 10.013 -10.147 10.110 1.00 42.04 H new ATOM 0 HZ3 LYS A 62 11.081 -9.453 8.987 1.00 42.04 H new ATOM 1013 N GLU A 63 9.475 -8.979 3.361 1.00 62.43 N ATOM 1014 CA GLU A 63 9.643 -10.209 2.624 1.00 52.10 C ATOM 1015 C GLU A 63 9.571 -11.327 3.664 1.00 40.32 C ATOM 1016 O GLU A 63 10.274 -11.290 4.686 1.00 51.33 O ATOM 1017 CB GLU A 63 10.973 -10.297 1.875 1.00 74.23 C ATOM 1018 CG GLU A 63 11.460 -9.060 1.121 1.00 55.24 C ATOM 1019 CD GLU A 63 12.995 -9.090 0.945 1.00 4.25 C ATOM 1020 OE1 GLU A 63 13.636 -10.157 1.155 1.00 2.55 O ATOM 1021 OE2 GLU A 63 13.597 -8.047 0.609 1.00 63.34 O ATOM 0 H GLU A 63 10.318 -8.650 3.831 1.00 62.43 H new ATOM 0 HA GLU A 63 8.871 -10.278 1.858 1.00 52.10 H new ATOM 0 HB2 GLU A 63 11.743 -10.573 2.595 1.00 74.23 H new ATOM 0 HB3 GLU A 63 10.899 -11.116 1.159 1.00 74.23 H new ATOM 0 HG2 GLU A 63 10.979 -9.012 0.144 1.00 55.24 H new ATOM 0 HG3 GLU A 63 11.170 -8.161 1.664 1.00 55.24 H new ATOM 1028 N GLY A 64 8.756 -12.331 3.387 1.00 62.23 N ATOM 1029 CA GLY A 64 8.701 -13.588 4.105 1.00 62.45 C ATOM 1030 C GLY A 64 7.396 -14.325 3.831 1.00 61.52 C ATOM 1031 O GLY A 64 6.523 -13.862 3.095 1.00 22.23 O ATOM 0 H GLY A 64 8.085 -12.287 2.620 1.00 62.23 H new ATOM 0 HA2 GLY A 64 9.543 -14.214 3.811 1.00 62.45 H new ATOM 0 HA3 GLY A 64 8.799 -13.403 5.175 1.00 62.45 H new ATOM 1035 N ARG A 65 7.259 -15.498 4.445 1.00 23.52 N ATOM 1036 CA ARG A 65 5.959 -16.108 4.689 1.00 30.32 C ATOM 1037 C ARG A 65 5.617 -15.841 6.146 1.00 45.45 C ATOM 1038 O ARG A 65 6.512 -15.826 6.999 1.00 15.41 O ATOM 1039 CB ARG A 65 6.000 -17.612 4.387 1.00 73.25 C ATOM 1040 CG ARG A 65 5.867 -17.907 2.887 1.00 4.01 C ATOM 1041 CD ARG A 65 6.785 -19.026 2.388 1.00 42.31 C ATOM 1042 NE ARG A 65 6.480 -20.342 2.980 1.00 62.15 N ATOM 1043 CZ ARG A 65 6.971 -21.512 2.545 1.00 30.52 C ATOM 1044 NH1 ARG A 65 7.984 -21.544 1.677 1.00 11.31 N ATOM 1045 NH2 ARG A 65 6.447 -22.651 2.985 1.00 10.43 N ATOM 0 H ARG A 65 8.046 -16.050 4.786 1.00 23.52 H new ATOM 0 HA ARG A 65 5.196 -15.684 4.036 1.00 30.32 H new ATOM 0 HB2 ARG A 65 6.937 -18.029 4.756 1.00 73.25 H new ATOM 0 HB3 ARG A 65 5.195 -18.111 4.926 1.00 73.25 H new ATOM 0 HG2 ARG A 65 4.833 -18.176 2.670 1.00 4.01 H new ATOM 0 HG3 ARG A 65 6.084 -16.997 2.328 1.00 4.01 H new ATOM 0 HD2 ARG A 65 6.703 -19.096 1.303 1.00 42.31 H new ATOM 0 HD3 ARG A 65 7.819 -18.765 2.614 1.00 42.31 H new ATOM 0 HE ARG A 65 5.848 -20.364 3.780 1.00 62.15 H new ATOM 0 HH11 ARG A 65 8.393 -20.673 1.338 1.00 11.31 H new ATOM 0 HH12 ARG A 65 8.350 -22.439 1.353 1.00 11.31 H new ATOM 0 HH21 ARG A 65 5.675 -22.633 3.651 1.00 10.43 H new ATOM 0 HH22 ARG A 65 6.817 -23.543 2.657 1.00 10.43 H new ATOM 1059 N THR A 66 4.332 -15.702 6.421 1.00 63.43 N ATOM 1060 CA THR A 66 3.765 -15.289 7.686 1.00 54.14 C ATOM 1061 C THR A 66 2.652 -16.282 8.026 1.00 24.44 C ATOM 1062 O THR A 66 2.286 -17.154 7.224 1.00 11.04 O ATOM 1063 CB THR A 66 3.335 -13.810 7.533 1.00 43.14 C ATOM 1064 OG1 THR A 66 4.497 -13.078 7.207 1.00 3.31 O ATOM 1065 CG2 THR A 66 2.719 -13.158 8.775 1.00 52.05 C ATOM 0 H THR A 66 3.614 -15.887 5.720 1.00 63.43 H new ATOM 0 HA THR A 66 4.454 -15.313 8.530 1.00 54.14 H new ATOM 0 HB THR A 66 2.553 -13.797 6.774 1.00 43.14 H new ATOM 0 HG1 THR A 66 4.268 -12.131 7.099 1.00 3.31 H new ATOM 0 HG21 THR A 66 2.457 -12.124 8.551 1.00 52.05 H new ATOM 0 HG22 THR A 66 1.822 -13.705 9.066 1.00 52.05 H new ATOM 0 HG23 THR A 66 3.439 -13.180 9.593 1.00 52.05 H new ATOM 1146 N THR A 73 -1.329 -19.193 5.663 1.00 34.52 N ATOM 1147 CA THR A 73 0.010 -18.779 5.273 1.00 62.43 C ATOM 1148 C THR A 73 -0.121 -17.581 4.336 1.00 1.12 C ATOM 1149 O THR A 73 -0.253 -17.723 3.123 1.00 14.41 O ATOM 1150 CB THR A 73 0.824 -19.951 4.699 1.00 33.14 C ATOM 1151 OG1 THR A 73 1.091 -20.825 5.785 1.00 11.34 O ATOM 1152 CG2 THR A 73 2.168 -19.499 4.097 1.00 63.45 C ATOM 0 HA THR A 73 0.587 -18.463 6.142 1.00 62.43 H new ATOM 0 HB THR A 73 0.255 -20.422 3.898 1.00 33.14 H new ATOM 0 HG1 THR A 73 0.295 -20.895 6.352 1.00 11.34 H new ATOM 0 HG21 THR A 73 2.702 -20.366 3.707 1.00 63.45 H new ATOM 0 HG22 THR A 73 1.985 -18.791 3.289 1.00 63.45 H new ATOM 0 HG23 THR A 73 2.770 -19.020 4.869 1.00 63.45 H new ATOM 1160 N TYR A 74 -0.111 -16.386 4.913 1.00 2.01 N ATOM 1161 CA TYR A 74 0.070 -15.146 4.179 1.00 50.45 C ATOM 1162 C TYR A 74 1.518 -15.090 3.685 1.00 4.00 C ATOM 1163 O TYR A 74 2.425 -15.418 4.451 1.00 63.34 O ATOM 1164 CB TYR A 74 -0.231 -13.987 5.138 1.00 75.35 C ATOM 1165 CG TYR A 74 -0.469 -12.642 4.480 1.00 11.03 C ATOM 1166 CD1 TYR A 74 -1.472 -12.497 3.500 1.00 64.54 C ATOM 1167 CD2 TYR A 74 0.273 -11.518 4.893 1.00 35.42 C ATOM 1168 CE1 TYR A 74 -1.751 -11.229 2.957 1.00 62.24 C ATOM 1169 CE2 TYR A 74 0.021 -10.258 4.327 1.00 31.50 C ATOM 1170 CZ TYR A 74 -1.004 -10.103 3.367 1.00 54.45 C ATOM 1171 OH TYR A 74 -1.249 -8.883 2.810 1.00 51.11 O ATOM 0 H TYR A 74 -0.230 -16.252 5.917 1.00 2.01 H new ATOM 0 HA TYR A 74 -0.596 -15.080 3.318 1.00 50.45 H new ATOM 0 HB2 TYR A 74 -1.111 -14.245 5.727 1.00 75.35 H new ATOM 0 HB3 TYR A 74 0.601 -13.889 5.835 1.00 75.35 H new ATOM 0 HD1 TYR A 74 -2.027 -13.361 3.165 1.00 64.54 H new ATOM 0 HD2 TYR A 74 1.038 -11.626 5.647 1.00 35.42 H new ATOM 0 HE1 TYR A 74 -2.538 -11.117 2.226 1.00 62.24 H new ATOM 0 HE2 TYR A 74 0.612 -9.405 4.626 1.00 31.50 H new ATOM 0 HH TYR A 74 -0.648 -8.217 3.205 1.00 51.11 H new ATOM 1181 N ILE A 75 1.781 -14.686 2.445 1.00 13.14 N ATOM 1182 CA ILE A 75 3.100 -14.281 1.984 1.00 41.33 C ATOM 1183 C ILE A 75 3.099 -12.761 1.826 1.00 61.54 C ATOM 1184 O ILE A 75 2.052 -12.144 1.624 1.00 41.21 O ATOM 1185 CB ILE A 75 3.444 -15.023 0.674 1.00 45.25 C ATOM 1186 CG1 ILE A 75 3.312 -16.548 0.873 1.00 32.54 C ATOM 1187 CG2 ILE A 75 4.882 -14.712 0.219 1.00 5.44 C ATOM 1188 CD1 ILE A 75 2.095 -17.158 0.190 1.00 53.12 C ATOM 0 H ILE A 75 1.066 -14.631 1.720 1.00 13.14 H new ATOM 0 HA ILE A 75 3.875 -14.548 2.703 1.00 41.33 H new ATOM 0 HB ILE A 75 2.744 -14.681 -0.089 1.00 45.25 H new ATOM 0 HG12 ILE A 75 4.211 -17.033 0.492 1.00 32.54 H new ATOM 0 HG13 ILE A 75 3.262 -16.762 1.941 1.00 32.54 H new ATOM 0 HG21 ILE A 75 5.095 -15.249 -0.706 1.00 5.44 H new ATOM 0 HG22 ILE A 75 4.986 -13.640 0.049 1.00 5.44 H new ATOM 0 HG23 ILE A 75 5.584 -15.027 0.991 1.00 5.44 H new ATOM 0 HD11 ILE A 75 2.073 -18.232 0.377 1.00 53.12 H new ATOM 0 HD12 ILE A 75 1.188 -16.702 0.587 1.00 53.12 H new ATOM 0 HD13 ILE A 75 2.152 -16.977 -0.883 1.00 53.12 H new ATOM 1200 N SER A 76 4.280 -12.160 1.913 1.00 51.43 N ATOM 1201 CA SER A 76 4.567 -10.770 1.607 1.00 54.13 C ATOM 1202 C SER A 76 5.971 -10.797 1.005 1.00 21.34 C ATOM 1203 O SER A 76 6.848 -11.335 1.669 1.00 0.31 O ATOM 1204 CB SER A 76 4.541 -9.973 2.924 1.00 42.33 C ATOM 1205 OG SER A 76 3.356 -10.214 3.674 1.00 74.14 O ATOM 0 H SER A 76 5.112 -12.665 2.218 1.00 51.43 H new ATOM 0 HA SER A 76 3.853 -10.307 0.926 1.00 54.13 H new ATOM 0 HB2 SER A 76 5.410 -10.239 3.525 1.00 42.33 H new ATOM 0 HB3 SER A 76 4.620 -8.908 2.704 1.00 42.33 H new ATOM 0 HG SER A 76 3.381 -9.690 4.502 1.00 74.14 H new ATOM 1211 N HIS A 77 6.217 -10.345 -0.228 1.00 30.22 N ATOM 1212 CA HIS A 77 7.564 -10.217 -0.811 1.00 11.14 C ATOM 1213 C HIS A 77 7.494 -9.492 -2.154 1.00 1.15 C ATOM 1214 O HIS A 77 6.409 -9.182 -2.643 1.00 24.21 O ATOM 1215 CB HIS A 77 8.294 -11.574 -0.958 1.00 33.11 C ATOM 1216 CG HIS A 77 7.679 -12.649 -1.829 1.00 13.24 C ATOM 1217 ND1 HIS A 77 8.288 -13.856 -2.092 1.00 11.41 N ATOM 1218 CD2 HIS A 77 6.473 -12.646 -2.486 1.00 22.23 C ATOM 1219 CE1 HIS A 77 7.472 -14.574 -2.873 1.00 50.04 C ATOM 1220 NE2 HIS A 77 6.365 -13.870 -3.162 1.00 74.52 N ATOM 0 H HIS A 77 5.475 -10.051 -0.864 1.00 30.22 H new ATOM 0 HA HIS A 77 8.155 -9.626 -0.112 1.00 11.14 H new ATOM 0 HB2 HIS A 77 9.293 -11.370 -1.344 1.00 33.11 H new ATOM 0 HB3 HIS A 77 8.417 -11.991 0.041 1.00 33.11 H new ATOM 0 HD2 HIS A 77 5.744 -11.849 -2.483 1.00 22.23 H new ATOM 0 HE1 HIS A 77 7.675 -15.576 -3.221 1.00 50.04 H new ATOM 0 HE2 HIS A 77 5.594 -14.169 -3.759 1.00 74.52 H new ATOM 1228 N PHE A 78 8.645 -9.210 -2.771 1.00 33.54 N ATOM 1229 CA PHE A 78 8.647 -8.768 -4.165 1.00 11.34 C ATOM 1230 C PHE A 78 8.618 -9.982 -5.089 1.00 54.01 C ATOM 1231 O PHE A 78 9.084 -11.055 -4.705 1.00 54.22 O ATOM 1232 CB PHE A 78 9.837 -7.848 -4.451 1.00 41.43 C ATOM 1233 CG PHE A 78 11.192 -8.491 -4.269 1.00 11.31 C ATOM 1234 CD1 PHE A 78 11.743 -8.619 -2.981 1.00 23.34 C ATOM 1235 CD2 PHE A 78 11.901 -8.954 -5.391 1.00 51.10 C ATOM 1236 CE1 PHE A 78 13.003 -9.219 -2.818 1.00 51.44 C ATOM 1237 CE2 PHE A 78 13.175 -9.521 -5.229 1.00 73.40 C ATOM 1238 CZ PHE A 78 13.711 -9.670 -3.941 1.00 45.51 C ATOM 0 H PHE A 78 9.566 -9.278 -2.338 1.00 33.54 H new ATOM 0 HA PHE A 78 7.750 -8.179 -4.356 1.00 11.34 H new ATOM 0 HB2 PHE A 78 9.758 -7.483 -5.475 1.00 41.43 H new ATOM 0 HB3 PHE A 78 9.772 -6.979 -3.797 1.00 41.43 H new ATOM 0 HD1 PHE A 78 11.200 -8.257 -2.121 1.00 23.34 H new ATOM 0 HD2 PHE A 78 11.466 -8.874 -6.376 1.00 51.10 H new ATOM 0 HE1 PHE A 78 13.425 -9.332 -1.830 1.00 51.44 H new ATOM 0 HE2 PHE A 78 13.740 -9.841 -6.092 1.00 73.40 H new ATOM 0 HZ PHE A 78 14.677 -10.136 -3.814 1.00 45.51 H new ATOM 1248 N THR A 79 8.117 -9.824 -6.312 1.00 33.31 N ATOM 1249 CA THR A 79 8.038 -10.874 -7.333 1.00 45.11 C ATOM 1250 C THR A 79 9.000 -10.610 -8.488 1.00 51.44 C ATOM 1251 O THR A 79 9.212 -11.488 -9.323 1.00 54.44 O ATOM 1252 CB THR A 79 6.584 -11.004 -7.816 1.00 51.41 C ATOM 1253 OG1 THR A 79 6.033 -9.720 -8.044 1.00 74.24 O ATOM 1254 CG2 THR A 79 5.750 -11.733 -6.756 1.00 11.41 C ATOM 0 H THR A 79 7.741 -8.932 -6.634 1.00 33.31 H new ATOM 0 HA THR A 79 8.346 -11.822 -6.891 1.00 45.11 H new ATOM 0 HB THR A 79 6.570 -11.572 -8.746 1.00 51.41 H new ATOM 0 HG1 THR A 79 5.107 -9.811 -8.353 1.00 74.24 H new ATOM 0 HG21 THR A 79 4.720 -11.823 -7.102 1.00 11.41 H new ATOM 0 HG22 THR A 79 6.164 -12.727 -6.587 1.00 11.41 H new ATOM 0 HG23 THR A 79 5.772 -11.168 -5.824 1.00 11.41 H new ATOM 1262 N VAL A 80 9.628 -9.433 -8.504 1.00 61.02 N ATOM 1263 CA VAL A 80 10.408 -8.946 -9.631 1.00 50.11 C ATOM 1264 C VAL A 80 11.749 -8.513 -9.082 1.00 53.21 C ATOM 1265 O VAL A 80 11.842 -7.510 -8.372 1.00 53.51 O ATOM 1266 CB VAL A 80 9.660 -7.824 -10.378 1.00 24.22 C ATOM 1267 CG1 VAL A 80 10.498 -7.301 -11.548 1.00 33.15 C ATOM 1268 CG2 VAL A 80 8.323 -8.351 -10.903 1.00 71.20 C ATOM 0 H VAL A 80 9.605 -8.784 -7.718 1.00 61.02 H new ATOM 0 HA VAL A 80 10.562 -9.724 -10.379 1.00 50.11 H new ATOM 0 HB VAL A 80 9.482 -7.005 -9.681 1.00 24.22 H new ATOM 0 HG11 VAL A 80 9.952 -6.510 -12.062 1.00 33.15 H new ATOM 0 HG12 VAL A 80 11.441 -6.905 -11.172 1.00 33.15 H new ATOM 0 HG13 VAL A 80 10.698 -8.115 -12.245 1.00 33.15 H new ATOM 0 HG21 VAL A 80 7.799 -7.553 -11.430 1.00 71.20 H new ATOM 0 HG22 VAL A 80 8.502 -9.181 -11.587 1.00 71.20 H new ATOM 0 HG23 VAL A 80 7.714 -8.695 -10.067 1.00 71.20 H new ATOM 1278 N ASN A 81 12.778 -9.304 -9.375 1.00 30.25 N ATOM 1279 CA ASN A 81 14.138 -8.882 -9.137 1.00 10.55 C ATOM 1280 C ASN A 81 14.497 -8.026 -10.336 1.00 14.54 C ATOM 1281 O ASN A 81 14.610 -8.529 -11.450 1.00 3.34 O ATOM 1282 CB ASN A 81 15.115 -10.050 -8.993 1.00 72.34 C ATOM 1283 CG ASN A 81 16.498 -9.464 -8.758 1.00 25.32 C ATOM 1284 OD1 ASN A 81 17.211 -9.118 -9.687 1.00 70.34 O ATOM 1285 ND2 ASN A 81 16.889 -9.259 -7.512 1.00 54.11 N ATOM 0 H ASN A 81 12.687 -10.237 -9.777 1.00 30.25 H new ATOM 0 HA ASN A 81 14.211 -8.343 -8.192 1.00 10.55 H new ATOM 0 HB2 ASN A 81 14.825 -10.692 -8.162 1.00 72.34 H new ATOM 0 HB3 ASN A 81 15.108 -10.668 -9.891 1.00 72.34 H new ATOM 0 HD21 ASN A 81 17.787 -8.812 -7.326 1.00 54.11 H new ATOM 0 HD22 ASN A 81 16.293 -9.548 -6.736 1.00 54.11 H new ATOM 1292 N GLU A 82 14.603 -6.730 -10.108 1.00 21.33 N ATOM 1293 CA GLU A 82 15.136 -5.748 -11.028 1.00 71.12 C ATOM 1294 C GLU A 82 16.022 -4.835 -10.177 1.00 13.23 C ATOM 1295 O GLU A 82 15.802 -4.752 -8.961 1.00 21.22 O ATOM 1296 CB GLU A 82 13.965 -5.003 -11.690 1.00 12.42 C ATOM 1297 CG GLU A 82 13.564 -5.662 -13.017 1.00 4.52 C ATOM 1298 CD GLU A 82 14.626 -5.394 -14.093 1.00 2.55 C ATOM 1299 OE1 GLU A 82 14.782 -4.216 -14.479 1.00 5.55 O ATOM 1300 OE2 GLU A 82 15.345 -6.339 -14.505 1.00 25.31 O ATOM 0 H GLU A 82 14.302 -6.314 -9.227 1.00 21.33 H new ATOM 0 HA GLU A 82 15.723 -6.177 -11.840 1.00 71.12 H new ATOM 0 HB2 GLU A 82 13.110 -4.991 -11.014 1.00 12.42 H new ATOM 0 HB3 GLU A 82 14.245 -3.965 -11.867 1.00 12.42 H new ATOM 0 HG2 GLU A 82 13.445 -6.736 -12.875 1.00 4.52 H new ATOM 0 HG3 GLU A 82 12.599 -5.275 -13.345 1.00 4.52 H new ATOM 1307 N PRO A 83 17.014 -4.154 -10.767 1.00 21.13 N ATOM 1308 CA PRO A 83 17.994 -3.385 -10.020 1.00 62.21 C ATOM 1309 C PRO A 83 17.326 -2.160 -9.389 1.00 61.13 C ATOM 1310 O PRO A 83 17.621 -1.847 -8.236 1.00 21.31 O ATOM 1311 CB PRO A 83 19.094 -3.046 -11.035 1.00 64.33 C ATOM 1312 CG PRO A 83 18.365 -3.027 -12.379 1.00 43.33 C ATOM 1313 CD PRO A 83 17.234 -4.034 -12.196 1.00 32.23 C ATOM 0 HA PRO A 83 18.428 -3.926 -9.179 1.00 62.21 H new ATOM 0 HB2 PRO A 83 19.555 -2.082 -10.817 1.00 64.33 H new ATOM 0 HB3 PRO A 83 19.891 -3.790 -11.024 1.00 64.33 H new ATOM 0 HG2 PRO A 83 17.982 -2.033 -12.612 1.00 43.33 H new ATOM 0 HG3 PRO A 83 19.027 -3.313 -13.197 1.00 43.33 H new ATOM 0 HD2 PRO A 83 16.329 -3.696 -12.700 1.00 32.23 H new ATOM 0 HD3 PRO A 83 17.500 -4.998 -12.630 1.00 32.23 H new ATOM 1321 N ALA A 84 16.394 -1.519 -10.111 1.00 23.43 N ATOM 1322 CA ALA A 84 15.800 -0.237 -9.756 1.00 40.14 C ATOM 1323 C ALA A 84 14.267 -0.242 -9.819 1.00 32.21 C ATOM 1324 O ALA A 84 13.665 0.802 -9.609 1.00 13.51 O ATOM 1325 CB ALA A 84 16.383 0.838 -10.686 1.00 24.45 C ATOM 0 H ALA A 84 16.027 -1.897 -10.984 1.00 23.43 H new ATOM 0 HA ALA A 84 16.048 -0.023 -8.716 1.00 40.14 H new ATOM 0 HB1 ALA A 84 15.951 1.807 -10.437 1.00 24.45 H new ATOM 0 HB2 ALA A 84 17.465 0.880 -10.561 1.00 24.45 H new ATOM 0 HB3 ALA A 84 16.147 0.591 -11.721 1.00 24.45 H new ATOM 1331 N HIS A 85 13.603 -1.364 -10.116 1.00 75.40 N ATOM 1332 CA HIS A 85 12.150 -1.366 -10.298 1.00 32.14 C ATOM 1333 C HIS A 85 11.547 -2.708 -9.879 1.00 72.40 C ATOM 1334 O HIS A 85 11.102 -3.497 -10.715 1.00 4.11 O ATOM 1335 CB HIS A 85 11.856 -0.964 -11.751 1.00 45.41 C ATOM 1336 CG HIS A 85 10.405 -0.911 -12.157 1.00 64.34 C ATOM 1337 ND1 HIS A 85 9.300 -0.888 -11.331 1.00 13.14 N ATOM 1338 CD2 HIS A 85 9.964 -0.934 -13.452 1.00 33.11 C ATOM 1339 CE1 HIS A 85 8.213 -0.932 -12.120 1.00 51.51 C ATOM 1340 NE2 HIS A 85 8.566 -0.948 -13.420 1.00 31.43 N ATOM 0 H HIS A 85 14.046 -2.275 -10.234 1.00 75.40 H new ATOM 0 HA HIS A 85 11.667 -0.637 -9.648 1.00 32.14 H new ATOM 0 HB2 HIS A 85 12.295 0.018 -11.928 1.00 45.41 H new ATOM 0 HB3 HIS A 85 12.368 -1.666 -12.409 1.00 45.41 H new ATOM 0 HD1 HIS A 85 9.307 -0.846 -10.312 1.00 13.14 H new ATOM 0 HD2 HIS A 85 10.583 -0.940 -14.337 1.00 33.11 H new ATOM 0 HE1 HIS A 85 7.195 -0.952 -11.761 1.00 51.51 H new ATOM 1348 N LYS A 86 11.546 -2.985 -8.573 1.00 61.11 N ATOM 1349 CA LYS A 86 10.929 -4.203 -8.040 1.00 64.01 C ATOM 1350 C LYS A 86 9.424 -3.983 -7.880 1.00 32.21 C ATOM 1351 O LYS A 86 8.963 -2.856 -7.711 1.00 72.12 O ATOM 1352 CB LYS A 86 11.580 -4.630 -6.712 1.00 25.34 C ATOM 1353 CG LYS A 86 13.103 -4.842 -6.851 1.00 72.11 C ATOM 1354 CD LYS A 86 13.718 -5.663 -5.704 1.00 25.32 C ATOM 1355 CE LYS A 86 15.099 -5.138 -5.275 1.00 23.12 C ATOM 1356 NZ LYS A 86 16.172 -5.259 -6.289 1.00 52.34 N ATOM 0 H LYS A 86 11.965 -2.383 -7.865 1.00 61.11 H new ATOM 0 HA LYS A 86 11.093 -5.018 -8.745 1.00 64.01 H new ATOM 0 HB2 LYS A 86 11.388 -3.870 -5.954 1.00 25.34 H new ATOM 0 HB3 LYS A 86 11.117 -5.553 -6.362 1.00 25.34 H new ATOM 0 HG2 LYS A 86 13.307 -5.345 -7.796 1.00 72.11 H new ATOM 0 HG3 LYS A 86 13.594 -3.870 -6.895 1.00 72.11 H new ATOM 0 HD2 LYS A 86 13.044 -5.645 -4.847 1.00 25.32 H new ATOM 0 HD3 LYS A 86 13.810 -6.704 -6.015 1.00 25.32 H new ATOM 0 HE2 LYS A 86 15.000 -4.088 -5.001 1.00 23.12 H new ATOM 0 HE3 LYS A 86 15.409 -5.674 -4.378 1.00 23.12 H new ATOM 0 HZ1 LYS A 86 16.978 -4.663 -6.014 1.00 52.34 H new ATOM 0 HZ2 LYS A 86 16.480 -6.250 -6.352 1.00 52.34 H new ATOM 0 HZ3 LYS A 86 15.812 -4.949 -7.214 1.00 52.34 H new ATOM 1370 N GLU A 87 8.655 -5.064 -7.842 1.00 31.35 N ATOM 1371 CA GLU A 87 7.199 -5.040 -7.746 1.00 14.54 C ATOM 1372 C GLU A 87 6.814 -5.950 -6.576 1.00 4.35 C ATOM 1373 O GLU A 87 7.364 -7.048 -6.463 1.00 44.03 O ATOM 1374 CB GLU A 87 6.585 -5.464 -9.092 1.00 53.10 C ATOM 1375 CG GLU A 87 6.964 -4.505 -10.238 1.00 30.45 C ATOM 1376 CD GLU A 87 6.001 -4.565 -11.432 1.00 14.52 C ATOM 1377 OE1 GLU A 87 5.720 -5.655 -11.986 1.00 72.24 O ATOM 1378 OE2 GLU A 87 5.487 -3.497 -11.826 1.00 51.31 O ATOM 0 H GLU A 87 9.037 -6.009 -7.878 1.00 31.35 H new ATOM 0 HA GLU A 87 6.808 -4.042 -7.547 1.00 14.54 H new ATOM 0 HB2 GLU A 87 6.919 -6.472 -9.339 1.00 53.10 H new ATOM 0 HB3 GLU A 87 5.500 -5.502 -8.997 1.00 53.10 H new ATOM 0 HG2 GLU A 87 6.990 -3.485 -9.854 1.00 30.45 H new ATOM 0 HG3 GLU A 87 7.971 -4.742 -10.581 1.00 30.45 H new ATOM 1385 N PHE A 88 5.971 -5.463 -5.657 1.00 11.14 N ATOM 1386 CA PHE A 88 5.635 -6.098 -4.381 1.00 74.34 C ATOM 1387 C PHE A 88 4.248 -6.742 -4.442 1.00 54.04 C ATOM 1388 O PHE A 88 3.321 -6.163 -5.014 1.00 51.44 O ATOM 1389 CB PHE A 88 5.703 -5.067 -3.249 1.00 24.14 C ATOM 1390 CG PHE A 88 5.572 -5.634 -1.849 1.00 2.15 C ATOM 1391 CD1 PHE A 88 4.295 -5.777 -1.274 1.00 21.25 C ATOM 1392 CD2 PHE A 88 6.718 -5.996 -1.110 1.00 51.23 C ATOM 1393 CE1 PHE A 88 4.161 -6.300 0.022 1.00 4.44 C ATOM 1394 CE2 PHE A 88 6.580 -6.493 0.199 1.00 0.45 C ATOM 1395 CZ PHE A 88 5.302 -6.659 0.755 1.00 12.34 C ATOM 0 H PHE A 88 5.484 -4.577 -5.790 1.00 11.14 H new ATOM 0 HA PHE A 88 6.362 -6.886 -4.183 1.00 74.34 H new ATOM 0 HB2 PHE A 88 6.652 -4.535 -3.321 1.00 24.14 H new ATOM 0 HB3 PHE A 88 4.913 -4.332 -3.401 1.00 24.14 H new ATOM 0 HD1 PHE A 88 3.417 -5.484 -1.831 1.00 21.25 H new ATOM 0 HD2 PHE A 88 7.700 -5.892 -1.548 1.00 51.23 H new ATOM 0 HE1 PHE A 88 3.180 -6.426 0.455 1.00 4.44 H new ATOM 0 HE2 PHE A 88 7.457 -6.747 0.776 1.00 0.45 H new ATOM 0 HZ PHE A 88 5.197 -7.064 1.750 1.00 12.34 H new ATOM 1405 N GLU A 89 4.088 -7.886 -3.778 1.00 54.32 N ATOM 1406 CA GLU A 89 2.847 -8.635 -3.618 1.00 30.44 C ATOM 1407 C GLU A 89 2.737 -9.064 -2.152 1.00 53.45 C ATOM 1408 O GLU A 89 3.743 -9.312 -1.477 1.00 54.32 O ATOM 1409 CB GLU A 89 2.863 -9.887 -4.522 1.00 11.02 C ATOM 1410 CG GLU A 89 1.937 -9.758 -5.736 1.00 12.23 C ATOM 1411 CD GLU A 89 2.028 -10.969 -6.679 1.00 31.50 C ATOM 1412 OE1 GLU A 89 1.923 -12.146 -6.248 1.00 5.03 O ATOM 1413 OE2 GLU A 89 2.149 -10.749 -7.906 1.00 54.14 O ATOM 0 H GLU A 89 4.871 -8.341 -3.309 1.00 54.32 H new ATOM 0 HA GLU A 89 1.997 -8.014 -3.900 1.00 30.44 H new ATOM 0 HB2 GLU A 89 3.881 -10.068 -4.866 1.00 11.02 H new ATOM 0 HB3 GLU A 89 2.566 -10.756 -3.935 1.00 11.02 H new ATOM 0 HG2 GLU A 89 0.908 -9.645 -5.394 1.00 12.23 H new ATOM 0 HG3 GLU A 89 2.191 -8.853 -6.287 1.00 12.23 H new ATOM 1420 N ALA A 90 1.505 -9.210 -1.669 1.00 62.25 N ATOM 1421 CA ALA A 90 1.199 -9.995 -0.491 1.00 65.13 C ATOM 1422 C ALA A 90 -0.199 -10.592 -0.648 1.00 50.33 C ATOM 1423 O ALA A 90 -1.066 -10.029 -1.334 1.00 31.41 O ATOM 1424 CB ALA A 90 1.309 -9.125 0.763 1.00 31.34 C ATOM 0 H ALA A 90 0.685 -8.778 -2.096 1.00 62.25 H new ATOM 0 HA ALA A 90 1.914 -10.810 -0.382 1.00 65.13 H new ATOM 0 HB1 ALA A 90 1.077 -9.725 1.643 1.00 31.34 H new ATOM 0 HB2 ALA A 90 2.323 -8.734 0.847 1.00 31.34 H new ATOM 0 HB3 ALA A 90 0.605 -8.296 0.693 1.00 31.34 H new ATOM 1430 N GLY A 91 -0.420 -11.738 -0.013 1.00 4.01 N ATOM 1431 CA GLY A 91 -1.605 -12.554 -0.190 1.00 22.50 C ATOM 1432 C GLY A 91 -1.319 -14.000 0.175 1.00 72.54 C ATOM 1433 O GLY A 91 -0.177 -14.390 0.420 1.00 65.12 O ATOM 0 H GLY A 91 0.241 -12.131 0.656 1.00 4.01 H new ATOM 0 HA2 GLY A 91 -2.414 -12.170 0.432 1.00 22.50 H new ATOM 0 HA3 GLY A 91 -1.943 -12.495 -1.225 1.00 22.50 H new ATOM 1437 N TYR A 92 -2.377 -14.797 0.257 1.00 4.22 N ATOM 1438 CA TYR A 92 -2.324 -16.101 0.892 1.00 61.22 C ATOM 1439 C TYR A 92 -1.810 -17.160 -0.077 1.00 61.25 C ATOM 1440 O TYR A 92 -2.063 -17.093 -1.285 1.00 10.44 O ATOM 1441 CB TYR A 92 -3.715 -16.449 1.429 1.00 65.22 C ATOM 1442 CG TYR A 92 -4.181 -15.456 2.478 1.00 41.05 C ATOM 1443 CD1 TYR A 92 -4.818 -14.258 2.093 1.00 30.14 C ATOM 1444 CD2 TYR A 92 -3.880 -15.685 3.832 1.00 22.24 C ATOM 1445 CE1 TYR A 92 -5.119 -13.279 3.056 1.00 51.25 C ATOM 1446 CE2 TYR A 92 -4.197 -14.716 4.800 1.00 3.10 C ATOM 1447 CZ TYR A 92 -4.816 -13.503 4.415 1.00 44.21 C ATOM 1448 OH TYR A 92 -5.111 -12.540 5.327 1.00 13.14 O ATOM 0 H TYR A 92 -3.295 -14.554 -0.116 1.00 4.22 H new ATOM 0 HA TYR A 92 -1.622 -16.074 1.726 1.00 61.22 H new ATOM 0 HB2 TYR A 92 -4.428 -16.468 0.605 1.00 65.22 H new ATOM 0 HB3 TYR A 92 -3.698 -17.450 1.859 1.00 65.22 H new ATOM 0 HD1 TYR A 92 -5.075 -14.093 1.057 1.00 30.14 H new ATOM 0 HD2 TYR A 92 -3.404 -16.608 4.129 1.00 22.24 H new ATOM 0 HE1 TYR A 92 -5.584 -12.352 2.754 1.00 51.25 H new ATOM 0 HE2 TYR A 92 -3.968 -14.898 5.840 1.00 3.10 H new ATOM 0 HH TYR A 92 -4.844 -12.842 6.220 1.00 13.14 H new ATOM 1458 N ASP A 93 -1.121 -18.160 0.470 1.00 23.43 N ATOM 1459 CA ASP A 93 -0.820 -19.409 -0.217 1.00 13.40 C ATOM 1460 C ASP A 93 -2.152 -20.043 -0.620 1.00 30.50 C ATOM 1461 O ASP A 93 -3.170 -19.805 0.040 1.00 31.24 O ATOM 1462 CB ASP A 93 0.008 -20.337 0.695 1.00 41.11 C ATOM 1463 CG ASP A 93 0.819 -21.378 -0.088 1.00 51.32 C ATOM 1464 OD1 ASP A 93 0.581 -21.560 -1.305 1.00 74.45 O ATOM 1465 OD2 ASP A 93 1.790 -21.937 0.479 1.00 45.13 O ATOM 0 H ASP A 93 -0.751 -18.122 1.420 1.00 23.43 H new ATOM 0 HA ASP A 93 -0.217 -19.232 -1.108 1.00 13.40 H new ATOM 0 HB2 ASP A 93 0.687 -19.734 1.298 1.00 41.11 H new ATOM 0 HB3 ASP A 93 -0.661 -20.850 1.386 1.00 41.11 H new ATOM 1470 N GLU A 94 -2.158 -20.834 -1.693 1.00 10.04 N ATOM 1471 CA GLU A 94 -3.351 -21.473 -2.266 1.00 2.42 C ATOM 1472 C GLU A 94 -4.449 -20.467 -2.705 1.00 54.44 C ATOM 1473 O GLU A 94 -5.583 -20.864 -2.985 1.00 61.35 O ATOM 1474 CB GLU A 94 -3.832 -22.575 -1.306 1.00 4.12 C ATOM 1475 CG GLU A 94 -2.829 -23.750 -1.217 1.00 54.34 C ATOM 1476 CD GLU A 94 -2.697 -24.385 0.171 1.00 4.42 C ATOM 1477 OE1 GLU A 94 -2.995 -23.732 1.198 1.00 63.42 O ATOM 1478 OE2 GLU A 94 -2.202 -25.530 0.270 1.00 13.11 O ATOM 0 H GLU A 94 -1.306 -21.057 -2.207 1.00 10.04 H new ATOM 0 HA GLU A 94 -3.082 -21.946 -3.210 1.00 2.42 H new ATOM 0 HB2 GLU A 94 -3.981 -22.150 -0.313 1.00 4.12 H new ATOM 0 HB3 GLU A 94 -4.799 -22.950 -1.641 1.00 4.12 H new ATOM 0 HG2 GLU A 94 -3.132 -24.521 -1.925 1.00 54.34 H new ATOM 0 HG3 GLU A 94 -1.848 -23.395 -1.532 1.00 54.34 H new ATOM 1485 N SER A 95 -4.134 -19.166 -2.811 1.00 70.53 N ATOM 1486 CA SER A 95 -5.061 -18.098 -3.197 1.00 5.31 C ATOM 1487 C SER A 95 -4.390 -17.083 -4.137 1.00 5.44 C ATOM 1488 O SER A 95 -3.276 -17.310 -4.617 1.00 21.33 O ATOM 1489 CB SER A 95 -5.580 -17.418 -1.925 1.00 24.42 C ATOM 1490 OG SER A 95 -6.824 -16.777 -2.138 1.00 53.44 O ATOM 0 H SER A 95 -3.193 -18.820 -2.623 1.00 70.53 H new ATOM 0 HA SER A 95 -5.897 -18.528 -3.749 1.00 5.31 H new ATOM 0 HB2 SER A 95 -5.685 -18.160 -1.134 1.00 24.42 H new ATOM 0 HB3 SER A 95 -4.849 -16.686 -1.581 1.00 24.42 H new ATOM 0 HG SER A 95 -7.123 -16.357 -1.304 1.00 53.44 H new ATOM 1496 N GLU A 96 -5.086 -15.983 -4.427 1.00 14.44 N ATOM 1497 CA GLU A 96 -4.635 -14.813 -5.188 1.00 34.40 C ATOM 1498 C GLU A 96 -4.335 -13.651 -4.207 1.00 43.05 C ATOM 1499 O GLU A 96 -4.735 -13.726 -3.035 1.00 12.04 O ATOM 1500 CB GLU A 96 -5.744 -14.435 -6.193 1.00 72.42 C ATOM 1501 CG GLU A 96 -5.776 -15.314 -7.460 1.00 34.34 C ATOM 1502 CD GLU A 96 -6.868 -14.917 -8.474 1.00 62.15 C ATOM 1503 OE1 GLU A 96 -7.624 -13.941 -8.247 1.00 33.13 O ATOM 1504 OE2 GLU A 96 -6.945 -15.548 -9.556 1.00 63.33 O ATOM 0 H GLU A 96 -6.051 -15.877 -4.114 1.00 14.44 H new ATOM 0 HA GLU A 96 -3.720 -15.030 -5.739 1.00 34.40 H new ATOM 0 HB2 GLU A 96 -6.710 -14.503 -5.693 1.00 72.42 H new ATOM 0 HB3 GLU A 96 -5.611 -13.395 -6.490 1.00 72.42 H new ATOM 0 HG2 GLU A 96 -4.804 -15.262 -7.950 1.00 34.34 H new ATOM 0 HG3 GLU A 96 -5.929 -16.352 -7.165 1.00 34.34 H new ATOM 1511 N PRO A 97 -3.623 -12.586 -4.641 1.00 10.20 N ATOM 1512 CA PRO A 97 -3.161 -11.520 -3.757 1.00 33.32 C ATOM 1513 C PRO A 97 -4.292 -10.657 -3.186 1.00 54.21 C ATOM 1514 O PRO A 97 -5.461 -10.756 -3.575 1.00 10.22 O ATOM 1515 CB PRO A 97 -2.136 -10.702 -4.560 1.00 50.24 C ATOM 1516 CG PRO A 97 -2.531 -10.954 -6.007 1.00 72.51 C ATOM 1517 CD PRO A 97 -3.016 -12.402 -5.952 1.00 63.51 C ATOM 0 HA PRO A 97 -2.704 -11.950 -2.866 1.00 33.32 H new ATOM 0 HB2 PRO A 97 -2.185 -9.642 -4.310 1.00 50.24 H new ATOM 0 HB3 PRO A 97 -1.116 -11.030 -4.360 1.00 50.24 H new ATOM 0 HG2 PRO A 97 -3.314 -10.273 -6.341 1.00 72.51 H new ATOM 0 HG3 PRO A 97 -1.689 -10.831 -6.688 1.00 72.51 H new ATOM 0 HD2 PRO A 97 -3.738 -12.600 -6.745 1.00 63.51 H new ATOM 0 HD3 PRO A 97 -2.187 -13.095 -6.096 1.00 63.51 H new ATOM 1525 N SER A 98 -3.915 -9.771 -2.263 1.00 74.15 N ATOM 1526 CA SER A 98 -4.772 -8.705 -1.755 1.00 75.31 C ATOM 1527 C SER A 98 -4.052 -7.351 -1.815 1.00 52.22 C ATOM 1528 O SER A 98 -4.689 -6.344 -2.129 1.00 20.43 O ATOM 1529 CB SER A 98 -5.268 -9.049 -0.342 1.00 71.25 C ATOM 1530 OG SER A 98 -5.871 -10.338 -0.300 1.00 3.03 O ATOM 0 H SER A 98 -2.986 -9.777 -1.841 1.00 74.15 H new ATOM 0 HA SER A 98 -5.651 -8.618 -2.393 1.00 75.31 H new ATOM 0 HB2 SER A 98 -4.432 -9.014 0.357 1.00 71.25 H new ATOM 0 HB3 SER A 98 -5.988 -8.299 -0.015 1.00 71.25 H new ATOM 0 HG SER A 98 -6.175 -10.528 0.612 1.00 3.03 H new ATOM 1536 N LEU A 99 -2.724 -7.307 -1.637 1.00 23.50 N ATOM 1537 CA LEU A 99 -1.940 -6.071 -1.683 1.00 0.40 C ATOM 1538 C LEU A 99 -0.969 -6.112 -2.860 1.00 33.10 C ATOM 1539 O LEU A 99 -0.318 -7.136 -3.087 1.00 53.31 O ATOM 1540 CB LEU A 99 -1.182 -5.909 -0.353 1.00 73.22 C ATOM 1541 CG LEU A 99 -0.157 -4.761 -0.307 1.00 11.42 C ATOM 1542 CD1 LEU A 99 -0.809 -3.384 -0.433 1.00 33.14 C ATOM 1543 CD2 LEU A 99 0.652 -4.814 0.989 1.00 21.11 C ATOM 0 H LEU A 99 -2.161 -8.138 -1.455 1.00 23.50 H new ATOM 0 HA LEU A 99 -2.602 -5.216 -1.822 1.00 0.40 H new ATOM 0 HB2 LEU A 99 -1.910 -5.754 0.443 1.00 73.22 H new ATOM 0 HB3 LEU A 99 -0.665 -6.843 -0.134 1.00 73.22 H new ATOM 0 HG LEU A 99 0.500 -4.902 -1.165 1.00 11.42 H new ATOM 0 HD11 LEU A 99 -0.040 -2.612 -0.394 1.00 33.14 H new ATOM 0 HD12 LEU A 99 -1.341 -3.319 -1.382 1.00 33.14 H new ATOM 0 HD13 LEU A 99 -1.511 -3.238 0.388 1.00 33.14 H new ATOM 0 HD21 LEU A 99 1.371 -3.995 1.003 1.00 21.11 H new ATOM 0 HD22 LEU A 99 -0.021 -4.721 1.842 1.00 21.11 H new ATOM 0 HD23 LEU A 99 1.183 -5.764 1.048 1.00 21.11 H new ATOM 1555 N ARG A 100 -0.799 -4.978 -3.550 1.00 42.11 N ATOM 1556 CA ARG A 100 0.183 -4.804 -4.617 1.00 54.23 C ATOM 1557 C ARG A 100 0.800 -3.421 -4.450 1.00 22.11 C ATOM 1558 O ARG A 100 0.076 -2.475 -4.123 1.00 2.44 O ATOM 1559 CB ARG A 100 -0.514 -4.978 -5.978 1.00 73.43 C ATOM 1560 CG ARG A 100 0.429 -5.576 -7.029 1.00 21.50 C ATOM 1561 CD ARG A 100 -0.325 -6.054 -8.277 1.00 22.23 C ATOM 1562 NE ARG A 100 -1.178 -4.992 -8.839 1.00 42.23 N ATOM 1563 CZ ARG A 100 -0.779 -3.808 -9.320 1.00 43.13 C ATOM 1564 NH1 ARG A 100 0.479 -3.586 -9.674 1.00 4.22 N ATOM 1565 NH2 ARG A 100 -1.659 -2.825 -9.423 1.00 74.35 N ATOM 0 H ARG A 100 -1.354 -4.140 -3.375 1.00 42.11 H new ATOM 0 HA ARG A 100 0.977 -5.549 -4.568 1.00 54.23 H new ATOM 0 HB2 ARG A 100 -1.384 -5.624 -5.861 1.00 73.43 H new ATOM 0 HB3 ARG A 100 -0.879 -4.012 -6.325 1.00 73.43 H new ATOM 0 HG2 ARG A 100 1.169 -4.830 -7.317 1.00 21.50 H new ATOM 0 HG3 ARG A 100 0.973 -6.413 -6.592 1.00 21.50 H new ATOM 0 HD2 ARG A 100 0.391 -6.383 -9.031 1.00 22.23 H new ATOM 0 HD3 ARG A 100 -0.939 -6.918 -8.022 1.00 22.23 H new ATOM 0 HE ARG A 100 -2.180 -5.179 -8.864 1.00 42.23 H new ATOM 0 HH11 ARG A 100 1.173 -4.328 -9.583 1.00 4.22 H new ATOM 0 HH12 ARG A 100 0.753 -2.673 -10.037 1.00 4.22 H new ATOM 0 HH21 ARG A 100 -2.627 -2.975 -9.138 1.00 74.35 H new ATOM 0 HH22 ARG A 100 -1.370 -1.917 -9.788 1.00 74.35 H new ATOM 1579 N VAL A 101 2.118 -3.286 -4.613 1.00 32.21 N ATOM 1580 CA VAL A 101 2.820 -2.012 -4.453 1.00 61.50 C ATOM 1581 C VAL A 101 3.961 -1.978 -5.465 1.00 61.50 C ATOM 1582 O VAL A 101 4.893 -2.781 -5.391 1.00 32.15 O ATOM 1583 CB VAL A 101 3.360 -1.814 -3.018 1.00 62.11 C ATOM 1584 CG1 VAL A 101 3.834 -0.361 -2.863 1.00 31.51 C ATOM 1585 CG2 VAL A 101 2.335 -2.114 -1.921 1.00 32.11 C ATOM 0 H VAL A 101 2.731 -4.062 -4.861 1.00 32.21 H new ATOM 0 HA VAL A 101 2.120 -1.195 -4.629 1.00 61.50 H new ATOM 0 HB VAL A 101 4.175 -2.527 -2.891 1.00 62.11 H new ATOM 0 HG11 VAL A 101 4.217 -0.209 -1.854 1.00 31.51 H new ATOM 0 HG12 VAL A 101 4.624 -0.157 -3.586 1.00 31.51 H new ATOM 0 HG13 VAL A 101 2.998 0.315 -3.039 1.00 31.51 H new ATOM 0 HG21 VAL A 101 2.790 -1.952 -0.944 1.00 32.11 H new ATOM 0 HG22 VAL A 101 1.476 -1.453 -2.035 1.00 32.11 H new ATOM 0 HG23 VAL A 101 2.009 -3.151 -2.002 1.00 32.11 H new ATOM 1595 N VAL A 102 3.908 -1.042 -6.405 1.00 72.31 N ATOM 1596 CA VAL A 102 4.962 -0.902 -7.406 1.00 13.21 C ATOM 1597 C VAL A 102 6.006 0.065 -6.860 1.00 23.53 C ATOM 1598 O VAL A 102 5.662 1.158 -6.398 1.00 60.21 O ATOM 1599 CB VAL A 102 4.366 -0.464 -8.750 1.00 40.03 C ATOM 1600 CG1 VAL A 102 5.438 -0.294 -9.830 1.00 13.22 C ATOM 1601 CG2 VAL A 102 3.391 -1.549 -9.225 1.00 21.33 C ATOM 0 H VAL A 102 3.148 -0.368 -6.496 1.00 72.31 H new ATOM 0 HA VAL A 102 5.454 -1.855 -7.600 1.00 13.21 H new ATOM 0 HB VAL A 102 3.873 0.496 -8.599 1.00 40.03 H new ATOM 0 HG11 VAL A 102 4.968 0.017 -10.763 1.00 13.22 H new ATOM 0 HG12 VAL A 102 6.155 0.464 -9.515 1.00 13.22 H new ATOM 0 HG13 VAL A 102 5.955 -1.242 -9.982 1.00 13.22 H new ATOM 0 HG21 VAL A 102 2.957 -1.255 -10.180 1.00 21.33 H new ATOM 0 HG22 VAL A 102 3.925 -2.492 -9.344 1.00 21.33 H new ATOM 0 HG23 VAL A 102 2.597 -1.673 -8.488 1.00 21.33 H new ATOM 1611 N PHE A 103 7.275 -0.340 -6.917 1.00 24.34 N ATOM 1612 CA PHE A 103 8.414 0.436 -6.448 1.00 51.31 C ATOM 1613 C PHE A 103 9.330 0.723 -7.641 1.00 12.24 C ATOM 1614 O PHE A 103 9.588 -0.146 -8.474 1.00 63.14 O ATOM 1615 CB PHE A 103 9.155 -0.330 -5.337 1.00 3.43 C ATOM 1616 CG PHE A 103 8.450 -0.410 -3.991 1.00 54.03 C ATOM 1617 CD1 PHE A 103 8.666 0.592 -3.023 1.00 60.40 C ATOM 1618 CD2 PHE A 103 7.629 -1.511 -3.676 1.00 33.51 C ATOM 1619 CE1 PHE A 103 8.062 0.499 -1.756 1.00 20.44 C ATOM 1620 CE2 PHE A 103 7.023 -1.599 -2.408 1.00 14.05 C ATOM 1621 CZ PHE A 103 7.235 -0.594 -1.448 1.00 32.24 C ATOM 0 H PHE A 103 7.542 -1.245 -7.303 1.00 24.34 H new ATOM 0 HA PHE A 103 8.081 1.382 -6.022 1.00 51.31 H new ATOM 0 HB2 PHE A 103 9.342 -1.345 -5.687 1.00 3.43 H new ATOM 0 HB3 PHE A 103 10.127 0.139 -5.187 1.00 3.43 H new ATOM 0 HD1 PHE A 103 9.299 1.436 -3.256 1.00 60.40 H new ATOM 0 HD2 PHE A 103 7.464 -2.288 -4.408 1.00 33.51 H new ATOM 0 HE1 PHE A 103 8.234 1.269 -1.019 1.00 20.44 H new ATOM 0 HE2 PHE A 103 6.392 -2.443 -2.172 1.00 14.05 H new ATOM 0 HZ PHE A 103 6.764 -0.662 -0.478 1.00 32.24 H new ATOM 1631 N GLU A 104 9.842 1.948 -7.724 1.00 33.14 N ATOM 1632 CA GLU A 104 10.791 2.407 -8.733 1.00 4.13 C ATOM 1633 C GLU A 104 11.863 3.217 -7.982 1.00 43.53 C ATOM 1634 O GLU A 104 11.557 3.806 -6.943 1.00 74.43 O ATOM 1635 CB GLU A 104 10.025 3.228 -9.796 1.00 33.03 C ATOM 1636 CG GLU A 104 9.160 2.331 -10.703 1.00 55.40 C ATOM 1637 CD GLU A 104 8.104 3.064 -11.544 1.00 53.21 C ATOM 1638 OE1 GLU A 104 8.331 4.179 -12.050 1.00 42.33 O ATOM 1639 OE2 GLU A 104 7.003 2.493 -11.769 1.00 40.54 O ATOM 0 H GLU A 104 9.595 2.681 -7.059 1.00 33.14 H new ATOM 0 HA GLU A 104 11.282 1.596 -9.270 1.00 4.13 H new ATOM 0 HB2 GLU A 104 9.390 3.962 -9.299 1.00 33.03 H new ATOM 0 HB3 GLU A 104 10.736 3.784 -10.407 1.00 33.03 H new ATOM 0 HG2 GLU A 104 9.819 1.782 -11.376 1.00 55.40 H new ATOM 0 HG3 GLU A 104 8.655 1.593 -10.080 1.00 55.40 H new ATOM 1646 N LEU A 105 13.103 3.239 -8.476 1.00 40.42 N ATOM 1647 CA LEU A 105 14.270 3.973 -7.981 1.00 21.33 C ATOM 1648 C LEU A 105 14.699 4.882 -9.129 1.00 2.31 C ATOM 1649 O LEU A 105 14.731 4.465 -10.288 1.00 73.32 O ATOM 1650 CB LEU A 105 15.394 2.984 -7.581 1.00 72.42 C ATOM 1651 CG LEU A 105 16.794 3.559 -7.236 1.00 12.41 C ATOM 1652 CD1 LEU A 105 16.959 4.053 -5.798 1.00 42.31 C ATOM 1653 CD2 LEU A 105 17.894 2.517 -7.456 1.00 52.53 C ATOM 0 H LEU A 105 13.337 2.695 -9.307 1.00 40.42 H new ATOM 0 HA LEU A 105 14.045 4.556 -7.088 1.00 21.33 H new ATOM 0 HB2 LEU A 105 15.046 2.417 -6.718 1.00 72.42 H new ATOM 0 HB3 LEU A 105 15.519 2.274 -8.399 1.00 72.42 H new ATOM 0 HG LEU A 105 16.883 4.412 -7.909 1.00 12.41 H new ATOM 0 HD11 LEU A 105 17.970 4.435 -5.658 1.00 42.31 H new ATOM 0 HD12 LEU A 105 16.240 4.849 -5.602 1.00 42.31 H new ATOM 0 HD13 LEU A 105 16.784 3.228 -5.108 1.00 42.31 H new ATOM 0 HD21 LEU A 105 18.862 2.951 -7.205 1.00 52.53 H new ATOM 0 HD22 LEU A 105 17.708 1.652 -6.819 1.00 52.53 H new ATOM 0 HD23 LEU A 105 17.896 2.205 -8.500 1.00 52.53 H new ATOM 1665 N THR A 106 14.994 6.144 -8.853 1.00 44.11 N ATOM 1666 CA THR A 106 15.562 7.076 -9.819 1.00 73.02 C ATOM 1667 C THR A 106 16.380 8.058 -9.001 1.00 11.51 C ATOM 1668 O THR A 106 15.909 8.462 -7.938 1.00 75.00 O ATOM 1669 CB THR A 106 14.426 7.815 -10.553 1.00 62.40 C ATOM 1670 OG1 THR A 106 13.609 6.927 -11.278 1.00 20.02 O ATOM 1671 CG2 THR A 106 14.912 8.826 -11.589 1.00 74.01 C ATOM 0 H THR A 106 14.843 6.558 -7.933 1.00 44.11 H new ATOM 0 HA THR A 106 16.170 6.572 -10.570 1.00 73.02 H new ATOM 0 HB THR A 106 13.892 8.319 -9.747 1.00 62.40 H new ATOM 0 HG1 THR A 106 12.723 6.883 -10.861 1.00 20.02 H new ATOM 0 HG21 THR A 106 14.054 9.304 -12.062 1.00 74.01 H new ATOM 0 HG22 THR A 106 15.525 9.583 -11.099 1.00 74.01 H new ATOM 0 HG23 THR A 106 15.505 8.314 -12.347 1.00 74.01 H new ATOM 1679 N ASP A 107 17.555 8.482 -9.480 1.00 74.10 N ATOM 1680 CA ASP A 107 18.355 9.514 -8.808 1.00 55.42 C ATOM 1681 C ASP A 107 18.642 9.146 -7.353 1.00 52.33 C ATOM 1682 O ASP A 107 18.791 9.996 -6.472 1.00 31.32 O ATOM 1683 CB ASP A 107 17.694 10.898 -8.993 1.00 11.12 C ATOM 1684 CG ASP A 107 18.467 11.761 -9.978 1.00 23.43 C ATOM 1685 OD1 ASP A 107 19.050 11.204 -10.934 1.00 44.31 O ATOM 1686 OD2 ASP A 107 18.393 13.006 -9.892 1.00 35.02 O ATOM 0 H ASP A 107 17.976 8.123 -10.337 1.00 74.10 H new ATOM 0 HA ASP A 107 19.337 9.574 -9.277 1.00 55.42 H new ATOM 0 HB2 ASP A 107 16.671 10.769 -9.347 1.00 11.12 H new ATOM 0 HB3 ASP A 107 17.637 11.406 -8.030 1.00 11.12 H new ATOM 1691 N GLY A 108 18.680 7.840 -7.114 1.00 12.15 N ATOM 1692 CA GLY A 108 18.945 7.219 -5.850 1.00 0.32 C ATOM 1693 C GLY A 108 17.861 7.366 -4.783 1.00 4.12 C ATOM 1694 O GLY A 108 18.140 7.102 -3.611 1.00 52.23 O ATOM 0 H GLY A 108 18.514 7.156 -7.853 1.00 12.15 H new ATOM 0 HA2 GLY A 108 19.116 6.156 -6.020 1.00 0.32 H new ATOM 0 HA3 GLY A 108 19.873 7.631 -5.454 1.00 0.32 H new ATOM 1698 N LYS A 109 16.632 7.735 -5.144 1.00 3.21 N ATOM 1699 CA LYS A 109 15.476 7.689 -4.247 1.00 3.15 C ATOM 1700 C LYS A 109 14.491 6.643 -4.744 1.00 51.30 C ATOM 1701 O LYS A 109 14.172 6.625 -5.934 1.00 74.32 O ATOM 1702 CB LYS A 109 14.824 9.073 -4.114 1.00 53.13 C ATOM 1703 CG LYS A 109 14.686 9.822 -5.449 1.00 54.14 C ATOM 1704 CD LYS A 109 13.947 11.150 -5.302 1.00 1.42 C ATOM 1705 CE LYS A 109 12.451 10.932 -5.527 1.00 0.34 C ATOM 1706 NZ LYS A 109 11.701 12.186 -5.370 1.00 14.34 N ATOM 0 H LYS A 109 16.408 8.078 -6.078 1.00 3.21 H new ATOM 0 HA LYS A 109 15.807 7.403 -3.249 1.00 3.15 H new ATOM 0 HB2 LYS A 109 13.836 8.958 -3.668 1.00 53.13 H new ATOM 0 HB3 LYS A 109 15.415 9.679 -3.427 1.00 53.13 H new ATOM 0 HG2 LYS A 109 15.678 10.006 -5.863 1.00 54.14 H new ATOM 0 HG3 LYS A 109 14.155 9.192 -6.162 1.00 54.14 H new ATOM 0 HD2 LYS A 109 14.119 11.565 -4.309 1.00 1.42 H new ATOM 0 HD3 LYS A 109 14.332 11.873 -6.021 1.00 1.42 H new ATOM 0 HE2 LYS A 109 12.286 10.529 -6.526 1.00 0.34 H new ATOM 0 HE3 LYS A 109 12.078 10.191 -4.819 1.00 0.34 H new ATOM 0 HZ1 LYS A 109 10.689 12.007 -5.528 1.00 14.34 H new ATOM 0 HZ2 LYS A 109 11.841 12.556 -4.408 1.00 14.34 H new ATOM 0 HZ3 LYS A 109 12.042 12.883 -6.062 1.00 14.34 H new ATOM 1720 N TRP A 110 14.016 5.772 -3.850 1.00 15.32 N ATOM 1721 CA TRP A 110 12.862 4.935 -4.161 1.00 12.33 C ATOM 1722 C TRP A 110 11.615 5.794 -4.077 1.00 43.32 C ATOM 1723 O TRP A 110 11.573 6.769 -3.322 1.00 32.12 O ATOM 1724 CB TRP A 110 12.739 3.739 -3.216 1.00 61.01 C ATOM 1725 CG TRP A 110 13.739 2.670 -3.498 1.00 54.34 C ATOM 1726 CD1 TRP A 110 14.959 2.598 -2.942 1.00 42.23 C ATOM 1727 CD2 TRP A 110 13.673 1.572 -4.457 1.00 4.22 C ATOM 1728 NE1 TRP A 110 15.657 1.539 -3.481 1.00 62.42 N ATOM 1729 CE2 TRP A 110 14.908 0.860 -4.415 1.00 13.53 C ATOM 1730 CE3 TRP A 110 12.714 1.131 -5.390 1.00 31.14 C ATOM 1731 CZ2 TRP A 110 15.168 -0.242 -5.242 1.00 33.34 C ATOM 1732 CZ3 TRP A 110 12.968 0.039 -6.242 1.00 35.24 C ATOM 1733 CH2 TRP A 110 14.191 -0.650 -6.166 1.00 4.21 C ATOM 0 H TRP A 110 14.408 5.631 -2.919 1.00 15.32 H new ATOM 0 HA TRP A 110 12.989 4.530 -5.165 1.00 12.33 H new ATOM 0 HB2 TRP A 110 12.861 4.081 -2.188 1.00 61.01 H new ATOM 0 HB3 TRP A 110 11.736 3.321 -3.296 1.00 61.01 H new ATOM 0 HD1 TRP A 110 15.337 3.270 -2.185 1.00 42.23 H new ATOM 0 HE1 TRP A 110 16.611 1.289 -3.220 1.00 62.42 H new ATOM 0 HE3 TRP A 110 11.764 1.641 -5.453 1.00 31.14 H new ATOM 0 HZ2 TRP A 110 16.107 -0.770 -5.170 1.00 33.34 H new ATOM 0 HZ3 TRP A 110 12.220 -0.271 -6.957 1.00 35.24 H new ATOM 0 HH2 TRP A 110 14.379 -1.491 -6.817 1.00 4.21 H new ATOM 1744 N TYR A 111 10.597 5.436 -4.846 1.00 51.14 N ATOM 1745 CA TYR A 111 9.381 6.199 -4.977 1.00 71.10 C ATOM 1746 C TYR A 111 8.293 5.189 -5.378 1.00 71.42 C ATOM 1747 O TYR A 111 8.474 4.419 -6.321 1.00 11.21 O ATOM 1748 CB TYR A 111 9.674 7.379 -5.941 1.00 2.12 C ATOM 1749 CG TYR A 111 9.851 7.094 -7.418 1.00 43.52 C ATOM 1750 CD1 TYR A 111 11.063 6.570 -7.898 1.00 43.10 C ATOM 1751 CD2 TYR A 111 8.839 7.440 -8.330 1.00 55.53 C ATOM 1752 CE1 TYR A 111 11.226 6.301 -9.265 1.00 41.43 C ATOM 1753 CE2 TYR A 111 9.005 7.194 -9.703 1.00 12.32 C ATOM 1754 CZ TYR A 111 10.195 6.601 -10.178 1.00 13.22 C ATOM 1755 OH TYR A 111 10.365 6.402 -11.510 1.00 15.15 O ATOM 0 H TYR A 111 10.602 4.584 -5.407 1.00 51.14 H new ATOM 0 HA TYR A 111 9.010 6.685 -4.074 1.00 71.10 H new ATOM 0 HB2 TYR A 111 8.860 8.097 -5.840 1.00 2.12 H new ATOM 0 HB3 TYR A 111 10.580 7.873 -5.590 1.00 2.12 H new ATOM 0 HD1 TYR A 111 11.873 6.373 -7.211 1.00 43.10 H new ATOM 0 HD2 TYR A 111 7.928 7.898 -7.973 1.00 55.53 H new ATOM 0 HE1 TYR A 111 12.147 5.862 -9.620 1.00 41.43 H new ATOM 0 HE2 TYR A 111 8.221 7.459 -10.397 1.00 12.32 H new ATOM 0 HH TYR A 111 9.758 5.696 -11.815 1.00 15.15 H new ATOM 1765 N VAL A 112 7.192 5.103 -4.621 1.00 75.34 N ATOM 1766 CA VAL A 112 6.104 4.162 -4.894 1.00 61.53 C ATOM 1767 C VAL A 112 5.243 4.756 -6.004 1.00 73.21 C ATOM 1768 O VAL A 112 4.924 5.946 -5.934 1.00 32.34 O ATOM 1769 CB VAL A 112 5.267 3.953 -3.617 1.00 32.44 C ATOM 1770 CG1 VAL A 112 4.173 2.907 -3.852 1.00 55.41 C ATOM 1771 CG2 VAL A 112 6.115 3.505 -2.411 1.00 15.41 C ATOM 0 H VAL A 112 7.032 5.687 -3.800 1.00 75.34 H new ATOM 0 HA VAL A 112 6.498 3.194 -5.204 1.00 61.53 H new ATOM 0 HB VAL A 112 4.828 4.924 -3.386 1.00 32.44 H new ATOM 0 HG11 VAL A 112 3.594 2.775 -2.938 1.00 55.41 H new ATOM 0 HG12 VAL A 112 3.515 3.243 -4.653 1.00 55.41 H new ATOM 0 HG13 VAL A 112 4.631 1.958 -4.132 1.00 55.41 H new ATOM 0 HG21 VAL A 112 5.471 3.374 -1.542 1.00 15.41 H new ATOM 0 HG22 VAL A 112 6.607 2.561 -2.643 1.00 15.41 H new ATOM 0 HG23 VAL A 112 6.868 4.263 -2.194 1.00 15.41 H new ATOM 1781 N THR A 113 4.837 3.977 -7.003 1.00 0.35 N ATOM 1782 CA THR A 113 4.146 4.513 -8.176 1.00 33.32 C ATOM 1783 C THR A 113 2.757 3.882 -8.374 1.00 71.43 C ATOM 1784 O THR A 113 2.003 4.323 -9.241 1.00 55.11 O ATOM 1785 CB THR A 113 5.086 4.431 -9.391 1.00 40.43 C ATOM 1786 OG1 THR A 113 5.489 3.088 -9.584 1.00 31.55 O ATOM 1787 CG2 THR A 113 6.342 5.293 -9.200 1.00 12.31 C ATOM 0 H THR A 113 4.975 2.967 -7.025 1.00 0.35 H new ATOM 0 HA THR A 113 3.917 5.568 -8.027 1.00 33.32 H new ATOM 0 HB THR A 113 4.538 4.803 -10.257 1.00 40.43 H new ATOM 0 HG1 THR A 113 5.896 2.993 -10.470 1.00 31.55 H new ATOM 0 HG21 THR A 113 6.979 5.207 -10.080 1.00 12.31 H new ATOM 0 HG22 THR A 113 6.051 6.334 -9.063 1.00 12.31 H new ATOM 0 HG23 THR A 113 6.888 4.950 -8.321 1.00 12.31 H new ATOM 1795 N ASP A 114 2.362 2.915 -7.536 1.00 64.10 N ATOM 1796 CA ASP A 114 0.991 2.403 -7.429 1.00 43.14 C ATOM 1797 C ASP A 114 0.822 1.833 -6.021 1.00 74.50 C ATOM 1798 O ASP A 114 1.768 1.278 -5.453 1.00 21.12 O ATOM 1799 CB ASP A 114 0.795 1.339 -8.525 1.00 51.42 C ATOM 1800 CG ASP A 114 -0.465 0.466 -8.516 1.00 0.24 C ATOM 1801 OD1 ASP A 114 -1.131 0.290 -7.482 1.00 75.23 O ATOM 1802 OD2 ASP A 114 -0.815 -0.044 -9.603 1.00 4.30 O ATOM 0 H ASP A 114 3.007 2.454 -6.895 1.00 64.10 H new ATOM 0 HA ASP A 114 0.237 3.177 -7.577 1.00 43.14 H new ATOM 0 HB2 ASP A 114 0.830 1.851 -9.487 1.00 51.42 H new ATOM 0 HB3 ASP A 114 1.655 0.671 -8.488 1.00 51.42 H new ATOM 1807 N CYS A 115 -0.368 2.031 -5.458 1.00 14.25 N ATOM 1808 CA CYS A 115 -0.836 1.453 -4.205 1.00 61.32 C ATOM 1809 C CYS A 115 -2.161 0.761 -4.460 1.00 43.25 C ATOM 1810 O CYS A 115 -3.185 1.420 -4.672 1.00 61.33 O ATOM 1811 CB CYS A 115 -0.951 2.564 -3.158 1.00 24.21 C ATOM 1812 SG CYS A 115 -2.004 2.198 -1.721 1.00 0.35 S ATOM 0 H CYS A 115 -1.069 2.633 -5.890 1.00 14.25 H new ATOM 0 HA CYS A 115 -0.136 0.711 -3.821 1.00 61.32 H new ATOM 0 HB2 CYS A 115 0.050 2.803 -2.799 1.00 24.21 H new ATOM 0 HB3 CYS A 115 -1.336 3.459 -3.647 1.00 24.21 H new ATOM 0 HG CYS A 115 -1.757 3.052 -0.773 1.00 0.35 H new ATOM 1818 N TYR A 116 -2.119 -0.563 -4.404 1.00 51.13 N ATOM 1819 CA TYR A 116 -3.262 -1.436 -4.464 1.00 35.20 C ATOM 1820 C TYR A 116 -3.470 -2.005 -3.060 1.00 22.40 C ATOM 1821 O TYR A 116 -3.166 -3.161 -2.785 1.00 11.00 O ATOM 1822 CB TYR A 116 -2.976 -2.488 -5.537 1.00 54.03 C ATOM 1823 CG TYR A 116 -4.185 -2.847 -6.348 1.00 12.34 C ATOM 1824 CD1 TYR A 116 -5.196 -3.639 -5.782 1.00 64.33 C ATOM 1825 CD2 TYR A 116 -4.293 -2.366 -7.661 1.00 44.42 C ATOM 1826 CE1 TYR A 116 -6.313 -3.987 -6.559 1.00 20.31 C ATOM 1827 CE2 TYR A 116 -5.406 -2.707 -8.444 1.00 32.12 C ATOM 1828 CZ TYR A 116 -6.414 -3.528 -7.891 1.00 23.21 C ATOM 1829 OH TYR A 116 -7.495 -3.849 -8.642 1.00 14.40 O ATOM 0 H TYR A 116 -1.240 -1.073 -4.311 1.00 51.13 H new ATOM 0 HA TYR A 116 -4.189 -0.938 -4.748 1.00 35.20 H new ATOM 0 HB2 TYR A 116 -2.197 -2.116 -6.203 1.00 54.03 H new ATOM 0 HB3 TYR A 116 -2.586 -3.387 -5.060 1.00 54.03 H new ATOM 0 HD1 TYR A 116 -5.116 -3.977 -4.760 1.00 64.33 H new ATOM 0 HD2 TYR A 116 -3.519 -1.733 -8.069 1.00 44.42 H new ATOM 0 HE1 TYR A 116 -7.093 -4.604 -6.139 1.00 20.31 H new ATOM 0 HE2 TYR A 116 -5.491 -2.346 -9.458 1.00 32.12 H new ATOM 0 HH TYR A 116 -7.404 -3.451 -9.533 1.00 14.40 H new ATOM 1839 N ASN A 117 -3.896 -1.159 -2.126 1.00 12.43 N ATOM 1840 CA ASN A 117 -4.441 -1.588 -0.834 1.00 42.01 C ATOM 1841 C ASN A 117 -5.854 -2.104 -1.082 1.00 41.13 C ATOM 1842 O ASN A 117 -6.435 -1.787 -2.126 1.00 1.33 O ATOM 1843 CB ASN A 117 -4.461 -0.384 0.125 1.00 1.43 C ATOM 1844 CG ASN A 117 -3.391 -0.493 1.205 1.00 13.41 C ATOM 1845 OD1 ASN A 117 -2.276 -0.939 0.956 1.00 4.14 O ATOM 1846 ND2 ASN A 117 -3.705 -0.080 2.415 1.00 43.13 N ATOM 0 H ASN A 117 -3.874 -0.146 -2.242 1.00 12.43 H new ATOM 0 HA ASN A 117 -3.834 -2.374 -0.385 1.00 42.01 H new ATOM 0 HB2 ASN A 117 -4.310 0.534 -0.443 1.00 1.43 H new ATOM 0 HB3 ASN A 117 -5.442 -0.311 0.594 1.00 1.43 H new ATOM 0 HD21 ASN A 117 -3.016 -0.128 3.165 1.00 43.13 H new ATOM 0 HD22 ASN A 117 -4.638 0.288 2.602 1.00 43.13 H new ATOM 1853 N ASP A 118 -6.455 -2.831 -0.136 1.00 55.13 N ATOM 1854 CA ASP A 118 -7.897 -3.016 -0.189 1.00 33.32 C ATOM 1855 C ASP A 118 -8.518 -1.741 0.341 1.00 40.05 C ATOM 1856 O ASP A 118 -8.665 -0.809 -0.450 1.00 42.15 O ATOM 1857 CB ASP A 118 -8.315 -4.233 0.670 1.00 52.43 C ATOM 1858 CG ASP A 118 -7.939 -5.626 0.163 1.00 55.04 C ATOM 1859 OD1 ASP A 118 -8.635 -6.149 -0.742 1.00 64.23 O ATOM 1860 OD2 ASP A 118 -7.003 -6.212 0.757 1.00 11.44 O ATOM 0 H ASP A 118 -5.982 -3.284 0.646 1.00 55.13 H new ATOM 0 HA ASP A 118 -8.233 -3.213 -1.207 1.00 33.32 H new ATOM 0 HB2 ASP A 118 -7.880 -4.109 1.661 1.00 52.43 H new ATOM 0 HB3 ASP A 118 -9.398 -4.202 0.791 1.00 52.43 H new ATOM 1865 N TRP A 119 -8.744 -1.657 1.659 1.00 1.33 N ATOM 1866 CA TRP A 119 -9.649 -0.756 2.376 1.00 44.31 C ATOM 1867 C TRP A 119 -10.985 -0.636 1.633 1.00 44.25 C ATOM 1868 O TRP A 119 -11.989 -1.268 1.937 1.00 13.21 O ATOM 1869 CB TRP A 119 -8.982 0.571 2.765 1.00 1.22 C ATOM 1870 CG TRP A 119 -8.386 0.601 4.148 1.00 31.21 C ATOM 1871 CD1 TRP A 119 -7.079 0.430 4.467 1.00 13.20 C ATOM 1872 CD2 TRP A 119 -9.073 0.815 5.425 1.00 71.51 C ATOM 1873 NE1 TRP A 119 -6.904 0.596 5.830 1.00 4.02 N ATOM 1874 CE2 TRP A 119 -8.094 0.885 6.454 1.00 24.44 C ATOM 1875 CE3 TRP A 119 -10.418 0.960 5.832 1.00 0.03 C ATOM 1876 CZ2 TRP A 119 -8.424 1.188 7.779 1.00 74.23 C ATOM 1877 CZ3 TRP A 119 -10.758 1.265 7.170 1.00 31.42 C ATOM 1878 CH2 TRP A 119 -9.751 1.430 8.138 1.00 4.34 C ATOM 0 H TRP A 119 -8.253 -2.274 2.306 1.00 1.33 H new ATOM 0 HA TRP A 119 -9.892 -1.195 3.343 1.00 44.31 H new ATOM 0 HB2 TRP A 119 -8.197 0.791 2.042 1.00 1.22 H new ATOM 0 HB3 TRP A 119 -9.721 1.369 2.686 1.00 1.22 H new ATOM 0 HD1 TRP A 119 -6.293 0.199 3.763 1.00 13.20 H new ATOM 0 HE1 TRP A 119 -6.007 0.514 6.310 1.00 4.02 H new ATOM 0 HE3 TRP A 119 -11.205 0.835 5.104 1.00 0.03 H new ATOM 0 HZ2 TRP A 119 -7.648 1.235 8.528 1.00 74.23 H new ATOM 0 HZ3 TRP A 119 -11.796 1.372 7.450 1.00 31.42 H new ATOM 0 HH2 TRP A 119 -10.000 1.739 9.142 1.00 4.34 H new ATOM 1889 N TYR A 120 -10.926 0.109 0.542 1.00 74.42 N ATOM 1890 CA TYR A 120 -11.981 0.490 -0.382 1.00 11.41 C ATOM 1891 C TYR A 120 -12.169 -0.636 -1.393 1.00 20.42 C ATOM 1892 O TYR A 120 -12.138 -0.446 -2.610 1.00 62.25 O ATOM 1893 CB TYR A 120 -11.642 1.857 -1.025 1.00 12.00 C ATOM 1894 CG TYR A 120 -10.905 2.875 -0.158 1.00 31.11 C ATOM 1895 CD1 TYR A 120 -9.494 2.833 -0.137 1.00 4.42 C ATOM 1896 CD2 TYR A 120 -11.594 3.853 0.601 1.00 11.20 C ATOM 1897 CE1 TYR A 120 -8.769 3.698 0.696 1.00 3.03 C ATOM 1898 CE2 TYR A 120 -10.854 4.754 1.407 1.00 55.32 C ATOM 1899 CZ TYR A 120 -9.456 4.628 1.501 1.00 54.04 C ATOM 1900 OH TYR A 120 -8.792 5.432 2.363 1.00 40.21 O ATOM 0 H TYR A 120 -10.034 0.507 0.249 1.00 74.42 H new ATOM 0 HA TYR A 120 -12.933 0.626 0.131 1.00 11.41 H new ATOM 0 HB2 TYR A 120 -11.039 1.671 -1.914 1.00 12.00 H new ATOM 0 HB3 TYR A 120 -12.574 2.312 -1.361 1.00 12.00 H new ATOM 0 HD1 TYR A 120 -8.969 2.130 -0.767 1.00 4.42 H new ATOM 0 HD2 TYR A 120 -12.672 3.911 0.566 1.00 11.20 H new ATOM 0 HE1 TYR A 120 -7.690 3.651 0.720 1.00 3.03 H new ATOM 0 HE2 TYR A 120 -11.363 5.537 1.949 1.00 55.32 H new ATOM 0 HH TYR A 120 -7.920 5.669 1.984 1.00 40.21 H new ATOM 1910 N ASN A 121 -12.299 -1.843 -0.859 1.00 74.21 N ATOM 1911 CA ASN A 121 -12.587 -3.053 -1.594 1.00 51.44 C ATOM 1912 C ASN A 121 -14.045 -3.033 -2.075 1.00 64.13 C ATOM 1913 O ASN A 121 -14.810 -2.094 -1.834 1.00 2.11 O ATOM 1914 CB ASN A 121 -12.268 -4.265 -0.704 1.00 14.22 C ATOM 1915 CG ASN A 121 -13.352 -4.513 0.335 1.00 44.04 C ATOM 1916 OD1 ASN A 121 -14.183 -5.387 0.132 1.00 33.10 O ATOM 1917 ND2 ASN A 121 -13.410 -3.745 1.409 1.00 64.51 N ATOM 0 H ASN A 121 -12.201 -2.005 0.143 1.00 74.21 H new ATOM 0 HA ASN A 121 -11.963 -3.124 -2.485 1.00 51.44 H new ATOM 0 HB2 ASN A 121 -12.154 -5.152 -1.327 1.00 14.22 H new ATOM 0 HB3 ASN A 121 -11.314 -4.104 -0.201 1.00 14.22 H new ATOM 0 HD21 ASN A 121 -14.159 -3.875 2.089 1.00 64.51 H new ATOM 0 HD22 ASN A 121 -12.706 -3.022 1.558 1.00 64.51 H new ATOM 1924 N PHE A 122 -14.434 -4.085 -2.787 1.00 32.24 N ATOM 1925 CA PHE A 122 -15.740 -4.218 -3.421 1.00 13.43 C ATOM 1926 C PHE A 122 -16.899 -4.201 -2.421 1.00 21.10 C ATOM 1927 O PHE A 122 -18.040 -3.958 -2.817 1.00 32.30 O ATOM 1928 CB PHE A 122 -15.764 -5.513 -4.243 1.00 43.33 C ATOM 1929 CG PHE A 122 -16.086 -5.347 -5.712 1.00 13.02 C ATOM 1930 CD1 PHE A 122 -15.209 -4.629 -6.547 1.00 52.45 C ATOM 1931 CD2 PHE A 122 -17.207 -5.994 -6.265 1.00 4.12 C ATOM 1932 CE1 PHE A 122 -15.453 -4.551 -7.930 1.00 25.12 C ATOM 1933 CE2 PHE A 122 -17.436 -5.929 -7.648 1.00 34.33 C ATOM 1934 CZ PHE A 122 -16.564 -5.210 -8.480 1.00 53.15 C ATOM 0 H PHE A 122 -13.831 -4.893 -2.943 1.00 32.24 H new ATOM 0 HA PHE A 122 -15.884 -3.351 -4.066 1.00 13.43 H new ATOM 0 HB2 PHE A 122 -14.791 -5.997 -4.155 1.00 43.33 H new ATOM 0 HB3 PHE A 122 -16.497 -6.189 -3.802 1.00 43.33 H new ATOM 0 HD1 PHE A 122 -14.346 -4.136 -6.124 1.00 52.45 H new ATOM 0 HD2 PHE A 122 -17.888 -6.538 -5.628 1.00 4.12 H new ATOM 0 HE1 PHE A 122 -14.788 -3.986 -8.567 1.00 25.12 H new ATOM 0 HE2 PHE A 122 -18.289 -6.436 -8.075 1.00 34.33 H new ATOM 0 HZ PHE A 122 -16.748 -5.164 -9.543 1.00 53.15 H new ATOM 1944 N ASP A 123 -16.625 -4.374 -1.135 1.00 20.11 N ATOM 1945 CA ASP A 123 -17.600 -4.377 -0.058 1.00 73.44 C ATOM 1946 C ASP A 123 -17.651 -3.025 0.678 1.00 64.22 C ATOM 1947 O ASP A 123 -18.043 -2.981 1.842 1.00 51.35 O ATOM 1948 CB ASP A 123 -17.271 -5.569 0.852 1.00 32.13 C ATOM 1949 CG ASP A 123 -18.505 -6.194 1.484 1.00 24.33 C ATOM 1950 OD1 ASP A 123 -19.459 -6.514 0.737 1.00 33.14 O ATOM 1951 OD2 ASP A 123 -18.438 -6.551 2.683 1.00 75.14 O ATOM 0 H ASP A 123 -15.673 -4.523 -0.801 1.00 20.11 H new ATOM 0 HA ASP A 123 -18.610 -4.500 -0.448 1.00 73.44 H new ATOM 0 HB2 ASP A 123 -16.744 -6.327 0.272 1.00 32.13 H new ATOM 0 HB3 ASP A 123 -16.593 -5.241 1.640 1.00 32.13 H new ATOM 1956 N LEU A 124 -17.248 -1.911 0.032 1.00 24.44 N ATOM 1957 CA LEU A 124 -17.267 -0.564 0.605 1.00 71.33 C ATOM 1958 C LEU A 124 -18.142 0.357 -0.247 1.00 54.13 C ATOM 1959 O LEU A 124 -17.629 0.867 -1.233 1.00 41.02 O ATOM 1960 CB LEU A 124 -15.851 0.003 0.804 1.00 53.11 C ATOM 1961 CG LEU A 124 -15.856 1.482 1.274 1.00 11.12 C ATOM 1962 CD1 LEU A 124 -16.920 1.796 2.345 1.00 22.43 C ATOM 1963 CD2 LEU A 124 -14.503 1.865 1.840 1.00 3.03 C ATOM 0 H LEU A 124 -16.894 -1.932 -0.924 1.00 24.44 H new ATOM 0 HA LEU A 124 -17.706 -0.625 1.601 1.00 71.33 H new ATOM 0 HB2 LEU A 124 -15.321 -0.605 1.537 1.00 53.11 H new ATOM 0 HB3 LEU A 124 -15.299 -0.074 -0.133 1.00 53.11 H new ATOM 0 HG LEU A 124 -16.096 2.061 0.382 1.00 11.12 H new ATOM 0 HD11 LEU A 124 -16.859 2.849 2.621 1.00 22.43 H new ATOM 0 HD12 LEU A 124 -17.912 1.582 1.946 1.00 22.43 H new ATOM 0 HD13 LEU A 124 -16.742 1.179 3.226 1.00 22.43 H new ATOM 0 HD21 LEU A 124 -14.526 2.905 2.164 1.00 3.03 H new ATOM 0 HD22 LEU A 124 -14.270 1.225 2.691 1.00 3.03 H new ATOM 0 HD23 LEU A 124 -13.739 1.741 1.072 1.00 3.03 H new ATOM 1975 N PRO A 125 -19.461 0.471 -0.033 1.00 51.24 N ATOM 1976 CA PRO A 125 -20.315 1.324 -0.846 1.00 60.43 C ATOM 1977 C PRO A 125 -19.942 2.806 -0.725 1.00 20.21 C ATOM 1978 O PRO A 125 -19.428 3.274 0.292 1.00 21.11 O ATOM 1979 CB PRO A 125 -21.742 1.071 -0.353 1.00 64.24 C ATOM 1980 CG PRO A 125 -21.539 0.681 1.107 1.00 62.35 C ATOM 1981 CD PRO A 125 -20.209 -0.072 1.077 1.00 74.32 C ATOM 0 HA PRO A 125 -20.203 1.087 -1.904 1.00 60.43 H new ATOM 0 HB2 PRO A 125 -22.366 1.960 -0.450 1.00 64.24 H new ATOM 0 HB3 PRO A 125 -22.229 0.277 -0.919 1.00 64.24 H new ATOM 0 HG2 PRO A 125 -21.494 1.555 1.756 1.00 62.35 H new ATOM 0 HG3 PRO A 125 -22.351 0.053 1.474 1.00 62.35 H new ATOM 0 HD2 PRO A 125 -19.666 0.060 2.013 1.00 74.32 H new ATOM 0 HD3 PRO A 125 -20.371 -1.142 0.950 1.00 74.32 H new ATOM 1989 N ILE A 126 -20.291 3.577 -1.754 1.00 71.14 N ATOM 1990 CA ILE A 126 -20.058 5.014 -1.861 1.00 44.44 C ATOM 1991 C ILE A 126 -20.733 5.757 -0.701 1.00 74.13 C ATOM 1992 O ILE A 126 -20.245 6.822 -0.319 1.00 42.43 O ATOM 1993 CB ILE A 126 -20.583 5.513 -3.232 1.00 53.33 C ATOM 1994 CG1 ILE A 126 -19.747 4.927 -4.396 1.00 31.24 C ATOM 1995 CG2 ILE A 126 -20.578 7.042 -3.397 1.00 14.33 C ATOM 1996 CD1 ILE A 126 -20.592 4.649 -5.647 1.00 41.13 C ATOM 0 H ILE A 126 -20.766 3.198 -2.573 1.00 71.14 H new ATOM 0 HA ILE A 126 -18.989 5.217 -1.799 1.00 44.44 H new ATOM 0 HB ILE A 126 -21.617 5.168 -3.261 1.00 53.33 H new ATOM 0 HG12 ILE A 126 -18.947 5.622 -4.650 1.00 31.24 H new ATOM 0 HG13 ILE A 126 -19.274 4.001 -4.069 1.00 31.24 H new ATOM 0 HG21 ILE A 126 -20.960 7.303 -4.384 1.00 14.33 H new ATOM 0 HG22 ILE A 126 -21.210 7.493 -2.632 1.00 14.33 H new ATOM 0 HG23 ILE A 126 -19.560 7.416 -3.292 1.00 14.33 H new ATOM 0 HD11 ILE A 126 -19.956 4.239 -6.432 1.00 41.13 H new ATOM 0 HD12 ILE A 126 -21.376 3.932 -5.404 1.00 41.13 H new ATOM 0 HD13 ILE A 126 -21.044 5.578 -5.994 1.00 41.13 H new ATOM 2008 N ASN A 127 -21.847 5.253 -0.148 1.00 3.11 N ATOM 2009 CA ASN A 127 -22.593 5.987 0.871 1.00 60.14 C ATOM 2010 C ASN A 127 -21.934 5.932 2.254 1.00 75.33 C ATOM 2011 O ASN A 127 -22.285 6.752 3.101 1.00 14.40 O ATOM 2012 CB ASN A 127 -24.063 5.553 0.934 1.00 60.25 C ATOM 2013 CG ASN A 127 -24.304 4.318 1.787 1.00 22.52 C ATOM 2014 OD1 ASN A 127 -24.004 3.214 1.351 1.00 14.20 O ATOM 2015 ND2 ASN A 127 -24.891 4.472 2.960 1.00 23.23 N ATOM 0 H ASN A 127 -22.245 4.346 -0.391 1.00 3.11 H new ATOM 0 HA ASN A 127 -22.571 7.031 0.559 1.00 60.14 H new ATOM 0 HB2 ASN A 127 -24.658 6.377 1.328 1.00 60.25 H new ATOM 0 HB3 ASN A 127 -24.418 5.359 -0.078 1.00 60.25 H new ATOM 0 HD21 ASN A 127 -25.108 3.656 3.533 1.00 23.23 H new ATOM 0 HD22 ASN A 127 -25.127 5.407 3.293 1.00 23.23 H new ATOM 2022 N GLU A 128 -20.980 5.017 2.451 1.00 13.12 N ATOM 2023 CA GLU A 128 -20.243 4.772 3.696 1.00 43.32 C ATOM 2024 C GLU A 128 -18.743 5.089 3.527 1.00 20.51 C ATOM 2025 O GLU A 128 -17.940 4.970 4.455 1.00 20.12 O ATOM 2026 CB GLU A 128 -20.411 3.291 4.092 1.00 11.21 C ATOM 2027 CG GLU A 128 -21.835 2.838 4.466 1.00 2.11 C ATOM 2028 CD GLU A 128 -22.414 3.488 5.740 1.00 43.43 C ATOM 2029 OE1 GLU A 128 -21.763 4.359 6.359 1.00 42.35 O ATOM 2030 OE2 GLU A 128 -23.516 3.082 6.178 1.00 14.14 O ATOM 0 H GLU A 128 -20.684 4.391 1.703 1.00 13.12 H new ATOM 0 HA GLU A 128 -20.643 5.423 4.473 1.00 43.32 H new ATOM 0 HB2 GLU A 128 -20.063 2.674 3.263 1.00 11.21 H new ATOM 0 HB3 GLU A 128 -19.755 3.087 4.938 1.00 11.21 H new ATOM 0 HG2 GLU A 128 -22.500 3.056 3.631 1.00 2.11 H new ATOM 0 HG3 GLU A 128 -21.833 1.756 4.597 1.00 2.11 H new ATOM 2037 N LEU A 129 -18.327 5.477 2.321 1.00 63.14 N ATOM 2038 CA LEU A 129 -16.926 5.660 1.969 1.00 54.15 C ATOM 2039 C LEU A 129 -16.307 6.786 2.778 1.00 61.55 C ATOM 2040 O LEU A 129 -15.216 6.612 3.317 1.00 41.43 O ATOM 2041 CB LEU A 129 -16.822 5.830 0.456 1.00 21.11 C ATOM 2042 CG LEU A 129 -15.360 5.795 -0.011 1.00 62.21 C ATOM 2043 CD1 LEU A 129 -15.314 5.456 -1.493 1.00 73.42 C ATOM 2044 CD2 LEU A 129 -14.674 7.140 0.148 1.00 13.31 C ATOM 0 H LEU A 129 -18.967 5.675 1.552 1.00 63.14 H new ATOM 0 HA LEU A 129 -16.338 4.781 2.231 1.00 54.15 H new ATOM 0 HB2 LEU A 129 -17.383 5.038 -0.040 1.00 21.11 H new ATOM 0 HB3 LEU A 129 -17.277 6.776 0.162 1.00 21.11 H new ATOM 0 HG LEU A 129 -14.850 5.052 0.602 1.00 62.21 H new ATOM 0 HD11 LEU A 129 -14.277 5.430 -1.828 1.00 73.42 H new ATOM 0 HD12 LEU A 129 -15.773 4.481 -1.658 1.00 73.42 H new ATOM 0 HD13 LEU A 129 -15.859 6.213 -2.057 1.00 73.42 H new ATOM 0 HD21 LEU A 129 -13.642 7.065 -0.195 1.00 13.31 H new ATOM 0 HD22 LEU A 129 -15.200 7.889 -0.444 1.00 13.31 H new ATOM 0 HD23 LEU A 129 -14.686 7.433 1.198 1.00 13.31 H new ATOM 2056 N GLU A 130 -16.982 7.926 2.871 1.00 31.32 N ATOM 2057 CA GLU A 130 -16.484 9.054 3.660 1.00 73.53 C ATOM 2058 C GLU A 130 -16.180 8.632 5.096 1.00 74.13 C ATOM 2059 O GLU A 130 -15.094 8.938 5.584 1.00 14.04 O ATOM 2060 CB GLU A 130 -17.446 10.247 3.611 1.00 11.23 C ATOM 2061 CG GLU A 130 -17.429 10.821 2.192 1.00 14.32 C ATOM 2062 CD GLU A 130 -18.163 12.144 2.033 1.00 33.21 C ATOM 2063 OE1 GLU A 130 -19.404 12.195 2.160 1.00 53.21 O ATOM 2064 OE2 GLU A 130 -17.492 13.146 1.695 1.00 55.33 O ATOM 0 H GLU A 130 -17.876 8.097 2.411 1.00 31.32 H new ATOM 0 HA GLU A 130 -15.547 9.382 3.210 1.00 73.53 H new ATOM 0 HB2 GLU A 130 -18.454 9.933 3.881 1.00 11.23 H new ATOM 0 HB3 GLU A 130 -17.145 11.007 4.332 1.00 11.23 H new ATOM 0 HG2 GLU A 130 -16.393 10.956 1.882 1.00 14.32 H new ATOM 0 HG3 GLU A 130 -17.872 10.091 1.514 1.00 14.32 H new ATOM 2071 N GLU A 131 -17.083 7.869 5.715 1.00 35.20 N ATOM 2072 CA GLU A 131 -16.955 7.314 7.058 1.00 62.24 C ATOM 2073 C GLU A 131 -15.718 6.402 7.136 1.00 60.25 C ATOM 2074 O GLU A 131 -14.969 6.448 8.113 1.00 41.44 O ATOM 2075 CB GLU A 131 -18.284 6.602 7.401 1.00 44.21 C ATOM 2076 CG GLU A 131 -18.451 6.283 8.889 1.00 62.41 C ATOM 2077 CD GLU A 131 -19.865 5.803 9.212 1.00 32.30 C ATOM 2078 OE1 GLU A 131 -20.829 6.593 9.063 1.00 55.41 O ATOM 2079 OE2 GLU A 131 -20.021 4.628 9.610 1.00 54.14 O ATOM 0 H GLU A 131 -17.964 7.611 5.270 1.00 35.20 H new ATOM 0 HA GLU A 131 -16.790 8.090 7.806 1.00 62.24 H new ATOM 0 HB2 GLU A 131 -19.115 7.230 7.079 1.00 44.21 H new ATOM 0 HB3 GLU A 131 -18.345 5.675 6.832 1.00 44.21 H new ATOM 0 HG2 GLU A 131 -17.732 5.517 9.179 1.00 62.41 H new ATOM 0 HG3 GLU A 131 -18.225 7.172 9.479 1.00 62.41 H new ATOM 2086 N THR A 132 -15.427 5.641 6.078 1.00 22.50 N ATOM 2087 CA THR A 132 -14.222 4.821 6.008 1.00 12.32 C ATOM 2088 C THR A 132 -12.965 5.690 5.979 1.00 32.33 C ATOM 2089 O THR A 132 -12.017 5.406 6.707 1.00 55.14 O ATOM 2090 CB THR A 132 -14.274 3.882 4.802 1.00 55.03 C ATOM 2091 OG1 THR A 132 -15.414 3.051 4.903 1.00 44.23 O ATOM 2092 CG2 THR A 132 -13.007 3.022 4.749 1.00 3.34 C ATOM 0 H THR A 132 -16.020 5.578 5.250 1.00 22.50 H new ATOM 0 HA THR A 132 -14.178 4.209 6.909 1.00 12.32 H new ATOM 0 HB THR A 132 -14.335 4.474 3.889 1.00 55.03 H new ATOM 0 HG1 THR A 132 -16.223 3.589 4.775 1.00 44.23 H new ATOM 0 HG21 THR A 132 -13.054 2.357 3.887 1.00 3.34 H new ATOM 0 HG22 THR A 132 -12.133 3.667 4.662 1.00 3.34 H new ATOM 0 HG23 THR A 132 -12.931 2.429 5.661 1.00 3.34 H new ATOM 2100 N ILE A 133 -12.919 6.749 5.166 1.00 61.41 N ATOM 2101 CA ILE A 133 -11.735 7.604 5.127 1.00 0.41 C ATOM 2102 C ILE A 133 -11.451 8.183 6.524 1.00 11.14 C ATOM 2103 O ILE A 133 -10.291 8.295 6.916 1.00 22.43 O ATOM 2104 CB ILE A 133 -11.876 8.699 4.052 1.00 13.23 C ATOM 2105 CG1 ILE A 133 -12.012 8.079 2.654 1.00 23.52 C ATOM 2106 CG2 ILE A 133 -10.620 9.574 4.046 1.00 13.34 C ATOM 2107 CD1 ILE A 133 -12.351 9.111 1.580 1.00 54.25 C ATOM 0 H ILE A 133 -13.673 7.029 4.539 1.00 61.41 H new ATOM 0 HA ILE A 133 -10.873 7.001 4.842 1.00 0.41 H new ATOM 0 HB ILE A 133 -12.765 9.285 4.286 1.00 13.23 H new ATOM 0 HG12 ILE A 133 -11.080 7.580 2.390 1.00 23.52 H new ATOM 0 HG13 ILE A 133 -12.788 7.314 2.675 1.00 23.52 H new ATOM 0 HG21 ILE A 133 -10.720 10.349 3.286 1.00 13.34 H new ATOM 0 HG22 ILE A 133 -10.496 10.039 5.024 1.00 13.34 H new ATOM 0 HG23 ILE A 133 -9.748 8.958 3.824 1.00 13.34 H new ATOM 0 HD11 ILE A 133 -12.435 8.615 0.613 1.00 54.25 H new ATOM 0 HD12 ILE A 133 -13.298 9.593 1.824 1.00 54.25 H new ATOM 0 HD13 ILE A 133 -11.563 9.862 1.536 1.00 54.25 H new ATOM 2119 N GLN A 134 -12.481 8.544 7.292 1.00 41.44 N ATOM 2120 CA GLN A 134 -12.274 9.041 8.650 1.00 11.40 C ATOM 2121 C GLN A 134 -11.636 7.932 9.515 1.00 22.40 C ATOM 2122 O GLN A 134 -10.666 8.188 10.230 1.00 13.10 O ATOM 2123 CB GLN A 134 -13.601 9.575 9.226 1.00 23.32 C ATOM 2124 CG GLN A 134 -14.362 10.585 8.336 1.00 64.15 C ATOM 2125 CD GLN A 134 -13.915 12.040 8.412 1.00 21.50 C ATOM 2126 OE1 GLN A 134 -12.780 12.360 8.747 1.00 44.12 O ATOM 2127 NE2 GLN A 134 -14.781 12.973 8.045 1.00 73.55 N ATOM 0 H GLN A 134 -13.457 8.502 6.999 1.00 41.44 H new ATOM 0 HA GLN A 134 -11.579 9.881 8.645 1.00 11.40 H new ATOM 0 HB2 GLN A 134 -14.257 8.727 9.424 1.00 23.32 H new ATOM 0 HB3 GLN A 134 -13.394 10.049 10.186 1.00 23.32 H new ATOM 0 HG2 GLN A 134 -14.276 10.257 7.300 1.00 64.15 H new ATOM 0 HG3 GLN A 134 -15.419 10.540 8.598 1.00 64.15 H new ATOM 0 HE21 GLN A 134 -15.726 12.710 7.766 1.00 73.55 H new ATOM 0 HE22 GLN A 134 -14.503 13.954 8.042 1.00 73.55 H new ATOM 2136 N ALA A 135 -12.106 6.684 9.382 1.00 51.33 N ATOM 2137 CA ALA A 135 -11.568 5.518 10.085 1.00 20.43 C ATOM 2138 C ALA A 135 -10.118 5.184 9.700 1.00 14.43 C ATOM 2139 O ALA A 135 -9.408 4.579 10.507 1.00 2.11 O ATOM 2140 CB ALA A 135 -12.462 4.298 9.829 1.00 23.42 C ATOM 0 H ALA A 135 -12.888 6.455 8.768 1.00 51.33 H new ATOM 0 HA ALA A 135 -11.560 5.773 11.145 1.00 20.43 H new ATOM 0 HB1 ALA A 135 -12.057 3.433 10.355 1.00 23.42 H new ATOM 0 HB2 ALA A 135 -13.470 4.503 10.191 1.00 23.42 H new ATOM 0 HB3 ALA A 135 -12.496 4.090 8.760 1.00 23.42 H new ATOM 2146 N VAL A 136 -9.679 5.564 8.500 1.00 71.35 N ATOM 2147 CA VAL A 136 -8.305 5.420 8.023 1.00 41.23 C ATOM 2148 C VAL A 136 -7.389 6.405 8.748 1.00 22.21 C ATOM 2149 O VAL A 136 -6.311 6.026 9.209 1.00 42.22 O ATOM 2150 CB VAL A 136 -8.293 5.627 6.490 1.00 31.40 C ATOM 2151 CG1 VAL A 136 -6.914 5.829 5.860 1.00 41.43 C ATOM 2152 CG2 VAL A 136 -8.909 4.403 5.814 1.00 32.20 C ATOM 0 H VAL A 136 -10.293 5.996 7.809 1.00 71.35 H new ATOM 0 HA VAL A 136 -7.926 4.421 8.240 1.00 41.23 H new ATOM 0 HB VAL A 136 -8.856 6.547 6.333 1.00 31.40 H new ATOM 0 HG11 VAL A 136 -7.022 5.964 4.784 1.00 41.43 H new ATOM 0 HG12 VAL A 136 -6.443 6.712 6.291 1.00 41.43 H new ATOM 0 HG13 VAL A 136 -6.293 4.955 6.055 1.00 41.43 H new ATOM 0 HG21 VAL A 136 -8.903 4.543 4.733 1.00 32.20 H new ATOM 0 HG22 VAL A 136 -8.328 3.516 6.068 1.00 32.20 H new ATOM 0 HG23 VAL A 136 -9.935 4.275 6.158 1.00 32.20 H new ATOM 2162 N GLN A 137 -7.795 7.672 8.876 1.00 62.31 N ATOM 2163 CA GLN A 137 -6.961 8.628 9.593 1.00 4.25 C ATOM 2164 C GLN A 137 -6.836 8.237 11.067 1.00 14.23 C ATOM 2165 O GLN A 137 -5.829 8.565 11.689 1.00 63.41 O ATOM 2166 CB GLN A 137 -7.507 10.058 9.479 1.00 71.54 C ATOM 2167 CG GLN A 137 -7.843 10.537 8.058 1.00 61.50 C ATOM 2168 CD GLN A 137 -6.797 10.244 6.975 1.00 51.21 C ATOM 2169 OE1 GLN A 137 -5.618 9.995 7.225 1.00 62.14 O ATOM 2170 NE2 GLN A 137 -7.194 10.320 5.718 1.00 4.43 N ATOM 0 H GLN A 137 -8.668 8.047 8.504 1.00 62.31 H new ATOM 0 HA GLN A 137 -5.974 8.605 9.130 1.00 4.25 H new ATOM 0 HB2 GLN A 137 -8.407 10.132 10.089 1.00 71.54 H new ATOM 0 HB3 GLN A 137 -6.774 10.741 9.908 1.00 71.54 H new ATOM 0 HG2 GLN A 137 -8.785 10.078 7.757 1.00 61.50 H new ATOM 0 HG3 GLN A 137 -8.009 11.614 8.091 1.00 61.50 H new ATOM 0 HE21 GLN A 137 -8.170 10.526 5.503 1.00 4.43 H new ATOM 0 HE22 GLN A 137 -6.525 10.173 4.962 1.00 4.43 H new ATOM 2179 N GLU A 138 -7.831 7.534 11.621 1.00 44.44 N ATOM 2180 CA GLU A 138 -7.815 7.091 13.004 1.00 55.05 C ATOM 2181 C GLU A 138 -6.610 6.177 13.253 1.00 54.01 C ATOM 2182 O GLU A 138 -5.711 6.532 14.023 1.00 22.53 O ATOM 2183 CB GLU A 138 -9.153 6.457 13.407 1.00 42.25 C ATOM 2184 CG GLU A 138 -10.262 7.477 13.748 1.00 35.13 C ATOM 2185 CD GLU A 138 -10.069 8.299 15.036 1.00 13.03 C ATOM 2186 OE1 GLU A 138 -8.932 8.491 15.525 1.00 34.23 O ATOM 2187 OE2 GLU A 138 -11.076 8.823 15.566 1.00 1.31 O ATOM 0 H GLU A 138 -8.671 7.259 11.112 1.00 44.44 H new ATOM 0 HA GLU A 138 -7.696 7.958 13.653 1.00 55.05 H new ATOM 0 HB2 GLU A 138 -9.499 5.820 12.594 1.00 42.25 H new ATOM 0 HB3 GLU A 138 -8.991 5.812 14.271 1.00 42.25 H new ATOM 0 HG2 GLU A 138 -10.356 8.170 12.912 1.00 35.13 H new ATOM 0 HG3 GLU A 138 -11.207 6.940 13.825 1.00 35.13 H new ATOM 2194 N GLU A 139 -6.549 5.029 12.572 1.00 33.44 N ATOM 2195 CA GLU A 139 -5.420 4.103 12.721 1.00 64.31 C ATOM 2196 C GLU A 139 -4.068 4.739 12.346 1.00 75.33 C ATOM 2197 O GLU A 139 -3.022 4.366 12.887 1.00 41.34 O ATOM 2198 CB GLU A 139 -5.620 2.752 12.049 1.00 44.42 C ATOM 2199 CG GLU A 139 -6.017 2.952 10.618 1.00 55.21 C ATOM 2200 CD GLU A 139 -5.606 1.778 9.727 1.00 20.34 C ATOM 2201 OE1 GLU A 139 -5.535 0.626 10.217 1.00 51.03 O ATOM 2202 OE2 GLU A 139 -5.364 2.016 8.523 1.00 21.12 O ATOM 0 H GLU A 139 -7.264 4.719 11.915 1.00 33.44 H new ATOM 0 HA GLU A 139 -5.389 3.891 13.790 1.00 64.31 H new ATOM 0 HB2 GLU A 139 -4.701 2.169 12.103 1.00 44.42 H new ATOM 0 HB3 GLU A 139 -6.389 2.185 12.574 1.00 44.42 H new ATOM 0 HG2 GLU A 139 -7.097 3.088 10.559 1.00 55.21 H new ATOM 0 HG3 GLU A 139 -5.560 3.867 10.242 1.00 55.21 H new ATOM 2209 N ASN A 140 -4.088 5.720 11.439 1.00 71.23 N ATOM 2210 CA ASN A 140 -2.900 6.452 11.024 1.00 20.52 C ATOM 2211 C ASN A 140 -2.354 7.319 12.150 1.00 20.52 C ATOM 2212 O ASN A 140 -1.140 7.457 12.218 1.00 53.31 O ATOM 2213 CB ASN A 140 -3.166 7.348 9.809 1.00 40.40 C ATOM 2214 CG ASN A 140 -3.217 6.616 8.475 1.00 33.31 C ATOM 2215 OD1 ASN A 140 -2.675 5.534 8.297 1.00 33.44 O ATOM 2216 ND2 ASN A 140 -3.794 7.248 7.472 1.00 74.53 N ATOM 0 H ASN A 140 -4.941 6.027 10.971 1.00 71.23 H new ATOM 0 HA ASN A 140 -2.165 5.694 10.754 1.00 20.52 H new ATOM 0 HB2 ASN A 140 -4.112 7.868 9.959 1.00 40.40 H new ATOM 0 HB3 ASN A 140 -2.388 8.110 9.760 1.00 40.40 H new ATOM 0 HD21 ASN A 140 -3.791 6.835 6.539 1.00 74.53 H new ATOM 0 HD22 ASN A 140 -4.244 8.150 7.629 1.00 74.53 H new ATOM 2223 N LYS A 141 -3.178 7.918 13.022 1.00 63.10 N ATOM 2224 CA LYS A 141 -2.638 8.732 14.127 1.00 63.53 C ATOM 2225 C LYS A 141 -1.786 7.871 15.036 1.00 13.02 C ATOM 2226 O LYS A 141 -0.682 8.257 15.404 1.00 40.04 O ATOM 2227 CB LYS A 141 -3.724 9.347 15.007 1.00 0.42 C ATOM 2228 CG LYS A 141 -4.609 10.335 14.253 1.00 60.42 C ATOM 2229 CD LYS A 141 -6.069 10.033 14.571 1.00 55.31 C ATOM 2230 CE LYS A 141 -6.998 10.754 13.599 1.00 32.13 C ATOM 2231 NZ LYS A 141 -7.524 11.995 14.182 1.00 12.13 N ATOM 0 H LYS A 141 -4.196 7.859 12.989 1.00 63.10 H new ATOM 0 HA LYS A 141 -2.066 9.529 13.652 1.00 63.53 H new ATOM 0 HB2 LYS A 141 -4.345 8.551 15.419 1.00 0.42 H new ATOM 0 HB3 LYS A 141 -3.257 9.856 15.850 1.00 0.42 H new ATOM 0 HG2 LYS A 141 -4.364 11.357 14.542 1.00 60.42 H new ATOM 0 HG3 LYS A 141 -4.433 10.256 13.180 1.00 60.42 H new ATOM 0 HD2 LYS A 141 -6.242 8.958 14.517 1.00 55.31 H new ATOM 0 HD3 LYS A 141 -6.294 10.341 15.592 1.00 55.31 H new ATOM 0 HE2 LYS A 141 -6.459 10.982 12.679 1.00 32.13 H new ATOM 0 HE3 LYS A 141 -7.825 10.098 13.329 1.00 32.13 H new ATOM 0 HZ1 LYS A 141 -8.152 12.462 13.497 1.00 12.13 H new ATOM 0 HZ2 LYS A 141 -8.058 11.773 15.046 1.00 12.13 H new ATOM 0 HZ3 LYS A 141 -6.735 12.630 14.417 1.00 12.13 H new ATOM 2245 N ALA A 142 -2.338 6.715 15.408 1.00 14.35 N ATOM 2246 CA ALA A 142 -1.656 5.710 16.213 1.00 4.23 C ATOM 2247 C ALA A 142 -0.295 5.419 15.593 1.00 60.22 C ATOM 2248 O ALA A 142 0.711 5.425 16.298 1.00 61.54 O ATOM 2249 CB ALA A 142 -2.528 4.456 16.326 1.00 11.23 C ATOM 0 H ALA A 142 -3.289 6.450 15.152 1.00 14.35 H new ATOM 0 HA ALA A 142 -1.491 6.076 17.226 1.00 4.23 H new ATOM 0 HB1 ALA A 142 -2.013 3.708 16.929 1.00 11.23 H new ATOM 0 HB2 ALA A 142 -3.476 4.713 16.799 1.00 11.23 H new ATOM 0 HB3 ALA A 142 -2.716 4.053 15.331 1.00 11.23 H new ATOM 2255 N PHE A 143 -0.272 5.231 14.274 1.00 11.35 N ATOM 2256 CA PHE A 143 0.946 5.003 13.530 1.00 41.20 C ATOM 2257 C PHE A 143 1.903 6.206 13.597 1.00 24.33 C ATOM 2258 O PHE A 143 3.013 6.065 14.102 1.00 0.31 O ATOM 2259 CB PHE A 143 0.573 4.607 12.102 1.00 42.41 C ATOM 2260 CG PHE A 143 1.737 4.059 11.317 1.00 63.11 C ATOM 2261 CD1 PHE A 143 2.697 4.935 10.781 1.00 54.10 C ATOM 2262 CD2 PHE A 143 1.878 2.669 11.158 1.00 51.24 C ATOM 2263 CE1 PHE A 143 3.801 4.420 10.078 1.00 15.03 C ATOM 2264 CE2 PHE A 143 2.982 2.155 10.464 1.00 12.25 C ATOM 2265 CZ PHE A 143 3.949 3.028 9.939 1.00 73.10 C ATOM 0 H PHE A 143 -1.112 5.234 13.695 1.00 11.35 H new ATOM 0 HA PHE A 143 1.505 4.184 13.983 1.00 41.20 H new ATOM 0 HB2 PHE A 143 -0.220 3.860 12.134 1.00 42.41 H new ATOM 0 HB3 PHE A 143 0.170 5.477 11.584 1.00 42.41 H new ATOM 0 HD1 PHE A 143 2.587 6.002 10.909 1.00 54.10 H new ATOM 0 HD2 PHE A 143 1.138 1.999 11.570 1.00 51.24 H new ATOM 0 HE1 PHE A 143 4.531 5.089 9.647 1.00 15.03 H new ATOM 0 HE2 PHE A 143 3.089 1.088 10.333 1.00 12.25 H new ATOM 0 HZ PHE A 143 4.811 2.628 9.426 1.00 73.10 H new ATOM 2275 N GLU A 144 1.545 7.379 13.065 1.00 73.13 N ATOM 2276 CA GLU A 144 2.490 8.489 12.895 1.00 21.35 C ATOM 2277 C GLU A 144 3.004 9.043 14.226 1.00 74.50 C ATOM 2278 O GLU A 144 4.107 9.582 14.277 1.00 60.53 O ATOM 2279 CB GLU A 144 1.931 9.580 11.976 1.00 61.21 C ATOM 2280 CG GLU A 144 0.581 10.146 12.411 1.00 0.31 C ATOM 2281 CD GLU A 144 0.530 11.686 12.449 1.00 32.53 C ATOM 2282 OE1 GLU A 144 0.622 12.329 11.375 1.00 33.21 O ATOM 2283 OE2 GLU A 144 0.295 12.295 13.521 1.00 42.04 O ATOM 0 H GLU A 144 0.600 7.586 12.742 1.00 73.13 H new ATOM 0 HA GLU A 144 3.365 8.076 12.394 1.00 21.35 H new ATOM 0 HB2 GLU A 144 2.652 10.396 11.922 1.00 61.21 H new ATOM 0 HB3 GLU A 144 1.833 9.174 10.969 1.00 61.21 H new ATOM 0 HG2 GLU A 144 -0.190 9.784 11.730 1.00 0.31 H new ATOM 0 HG3 GLU A 144 0.339 9.760 13.401 1.00 0.31 H new ATOM 2290 N GLU A 145 2.257 8.858 15.316 1.00 4.45 N ATOM 2291 CA GLU A 145 2.703 9.241 16.649 1.00 74.12 C ATOM 2292 C GLU A 145 3.872 8.377 17.141 1.00 54.04 C ATOM 2293 O GLU A 145 4.591 8.752 18.068 1.00 24.11 O ATOM 2294 CB GLU A 145 1.495 9.154 17.581 1.00 4.13 C ATOM 2295 CG GLU A 145 1.796 9.683 18.990 1.00 64.20 C ATOM 2296 CD GLU A 145 0.632 10.504 19.553 1.00 64.14 C ATOM 2297 OE1 GLU A 145 0.479 11.676 19.142 1.00 11.02 O ATOM 2298 OE2 GLU A 145 -0.096 10.025 20.456 1.00 15.31 O ATOM 0 H GLU A 145 1.327 8.439 15.295 1.00 4.45 H new ATOM 0 HA GLU A 145 3.090 10.260 16.631 1.00 74.12 H new ATOM 0 HB2 GLU A 145 0.669 9.722 17.153 1.00 4.13 H new ATOM 0 HB3 GLU A 145 1.167 8.117 17.649 1.00 4.13 H new ATOM 0 HG2 GLU A 145 2.004 8.845 19.655 1.00 64.20 H new ATOM 0 HG3 GLU A 145 2.695 10.299 18.962 1.00 64.20 H new ATOM 2305 N LEU A 146 4.063 7.214 16.527 1.00 23.23 N ATOM 2306 CA LEU A 146 4.997 6.175 16.940 1.00 14.02 C ATOM 2307 C LEU A 146 6.036 5.830 15.869 1.00 14.25 C ATOM 2308 O LEU A 146 6.990 5.103 16.154 1.00 2.02 O ATOM 2309 CB LEU A 146 4.150 4.955 17.279 1.00 62.23 C ATOM 2310 CG LEU A 146 3.229 5.125 18.490 1.00 73.42 C ATOM 2311 CD1 LEU A 146 2.552 3.778 18.655 1.00 14.11 C ATOM 2312 CD2 LEU A 146 4.017 5.422 19.760 1.00 14.02 C ATOM 0 H LEU A 146 3.545 6.959 15.686 1.00 23.23 H new ATOM 0 HA LEU A 146 5.579 6.526 17.792 1.00 14.02 H new ATOM 0 HB2 LEU A 146 3.541 4.701 16.411 1.00 62.23 H new ATOM 0 HB3 LEU A 146 4.814 4.110 17.462 1.00 62.23 H new ATOM 0 HG LEU A 146 2.537 5.953 18.334 1.00 73.42 H new ATOM 0 HD11 LEU A 146 1.872 3.815 19.506 1.00 14.11 H new ATOM 0 HD12 LEU A 146 1.991 3.540 17.751 1.00 14.11 H new ATOM 0 HD13 LEU A 146 3.306 3.010 18.826 1.00 14.11 H new ATOM 0 HD21 LEU A 146 3.328 5.536 20.597 1.00 14.02 H new ATOM 0 HD22 LEU A 146 4.703 4.599 19.964 1.00 14.02 H new ATOM 0 HD23 LEU A 146 4.585 6.343 19.629 1.00 14.02 H new ATOM 2324 N HIS A 147 5.852 6.350 14.661 1.00 63.51 N ATOM 2325 CA HIS A 147 6.675 6.161 13.464 1.00 61.21 C ATOM 2326 C HIS A 147 7.040 7.533 12.850 1.00 74.31 C ATOM 2327 O HIS A 147 6.413 7.948 11.868 1.00 62.22 O ATOM 2328 CB HIS A 147 5.918 5.290 12.449 1.00 51.24 C ATOM 2329 CG HIS A 147 5.646 3.867 12.867 1.00 15.14 C ATOM 2330 ND1 HIS A 147 6.065 2.741 12.194 1.00 13.44 N ATOM 2331 CD2 HIS A 147 4.802 3.449 13.861 1.00 4.23 C ATOM 2332 CE1 HIS A 147 5.462 1.683 12.749 1.00 21.33 C ATOM 2333 NE2 HIS A 147 4.761 2.055 13.829 1.00 3.24 N ATOM 0 H HIS A 147 5.060 6.965 14.474 1.00 63.51 H new ATOM 0 HA HIS A 147 7.600 5.653 13.736 1.00 61.21 H new ATOM 0 HB2 HIS A 147 4.965 5.771 12.228 1.00 51.24 H new ATOM 0 HB3 HIS A 147 6.488 5.272 11.520 1.00 51.24 H new ATOM 0 HD1 HIS A 147 6.719 2.718 11.411 1.00 13.44 H new ATOM 0 HD2 HIS A 147 4.264 4.085 14.548 1.00 4.23 H new ATOM 0 HE1 HIS A 147 5.531 0.671 12.378 1.00 21.33 H new ATOM 2341 N PRO A 148 8.015 8.267 13.415 1.00 71.22 N ATOM 2342 CA PRO A 148 8.367 9.625 12.996 1.00 23.22 C ATOM 2343 C PRO A 148 9.304 9.702 11.790 1.00 11.12 C ATOM 2344 O PRO A 148 9.035 10.538 10.897 1.00 1.22 O ATOM 2345 CB PRO A 148 9.041 10.248 14.215 1.00 13.05 C ATOM 2346 CG PRO A 148 9.706 9.045 14.888 1.00 53.30 C ATOM 2347 CD PRO A 148 8.676 7.942 14.667 1.00 61.41 C ATOM 0 HA PRO A 148 7.466 10.144 12.668 1.00 23.22 H new ATOM 0 HB2 PRO A 148 9.770 11.006 13.930 1.00 13.05 H new ATOM 0 HB3 PRO A 148 8.319 10.731 14.873 1.00 13.05 H new ATOM 0 HG2 PRO A 148 10.666 8.803 14.432 1.00 53.30 H new ATOM 0 HG3 PRO A 148 9.892 9.222 15.947 1.00 53.30 H new ATOM 0 HD2 PRO A 148 9.155 6.964 14.615 1.00 61.41 H new ATOM 0 HD3 PRO A 148 7.961 7.904 15.489 1.00 61.41 H new