USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 840 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 90 TYR OH : rot 36:sc= 0.308 USER MOD Set 1.2: A 108 GLN : amide:sc= -0.281 X(o=0.027,f=-0.2) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.21 USER MOD Set 2.2: A 85 THR OG1 : rot -84:sc= 0.225 USER MOD Set 3.1: A 21 ASN : amide:sc= -1.22 K(o=-1.2,f=0) USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0493) USER MOD Single : A 10 GLN : amide:sc= -0.0637 X(o=-0.064,f=-0.064) USER MOD Single : A 17 GLN : amide:sc= -1.02 K(o=-1,f=-0.51) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.23 X(o=0.23,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00974 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 46 HIS : no HD1:sc= -0.161 X(o=-0.16,f=0.028) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 52 LYS NZ :NH3+ 136:sc= -0.381 (180deg=-2.57!) USER MOD Single : A 53 GLN : amide:sc= 0.256 X(o=0.26,f=0) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 60 LYS NZ :NH3+ -161:sc= 0.0172 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -42:sc= 0.687 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -2.12! K(o=-2.1!,f=-1.5) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -140:sc= -0.9 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0.473 K(o=0.47,f=-1.8!) USER MOD Single : A 88 THR OG1 : rot 171:sc= -0.0217 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 34:sc= 0.256 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.373 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.852 K(o=-0.85,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 8.111 -14.351 -5.160 1.00 54.01 N ATOM 38 CA ASP A 3 8.558 -13.086 -5.761 1.00 71.54 C ATOM 39 C ASP A 3 8.130 -11.926 -4.849 1.00 4.14 C ATOM 40 O ASP A 3 7.871 -10.818 -5.317 1.00 22.41 O ATOM 41 CB ASP A 3 8.000 -12.902 -7.204 1.00 25.11 C ATOM 42 CG ASP A 3 6.463 -12.986 -7.281 1.00 50.53 C ATOM 43 OD1 ASP A 3 5.781 -11.948 -7.137 1.00 41.41 O ATOM 44 OD2 ASP A 3 5.930 -14.102 -7.510 1.00 40.20 O ATOM 0 HA ASP A 3 9.644 -13.101 -5.849 1.00 71.54 H new ATOM 0 HB2 ASP A 3 8.323 -11.935 -7.590 1.00 25.11 H new ATOM 0 HB3 ASP A 3 8.431 -13.665 -7.852 1.00 25.11 H new ATOM 49 N ILE A 4 8.179 -12.203 -3.534 1.00 25.21 N ATOM 50 CA ILE A 4 7.653 -11.343 -2.450 1.00 50.10 C ATOM 51 C ILE A 4 8.072 -9.856 -2.571 1.00 42.25 C ATOM 52 O ILE A 4 7.275 -8.974 -2.273 1.00 14.33 O ATOM 53 CB ILE A 4 8.105 -11.915 -1.051 1.00 62.13 C ATOM 54 CG1 ILE A 4 7.452 -13.312 -0.773 1.00 31.13 C ATOM 55 CG2 ILE A 4 7.822 -10.933 0.105 1.00 35.14 C ATOM 56 CD1 ILE A 4 5.920 -13.325 -0.710 1.00 11.41 C ATOM 0 H ILE A 4 8.600 -13.062 -3.180 1.00 25.21 H new ATOM 0 HA ILE A 4 6.567 -11.362 -2.541 1.00 50.10 H new ATOM 0 HB ILE A 4 9.186 -12.046 -1.100 1.00 62.13 H new ATOM 0 HG12 ILE A 4 7.772 -14.004 -1.552 1.00 31.13 H new ATOM 0 HG13 ILE A 4 7.840 -13.693 0.171 1.00 31.13 H new ATOM 0 HG21 ILE A 4 8.151 -11.374 1.046 1.00 35.14 H new ATOM 0 HG22 ILE A 4 8.362 -10.002 -0.068 1.00 35.14 H new ATOM 0 HG23 ILE A 4 6.753 -10.728 0.155 1.00 35.14 H new ATOM 0 HD11 ILE A 4 5.573 -14.339 -0.513 1.00 11.41 H new ATOM 0 HD12 ILE A 4 5.583 -12.665 0.089 1.00 11.41 H new ATOM 0 HD13 ILE A 4 5.514 -12.980 -1.661 1.00 11.41 H new ATOM 68 N VAL A 5 9.318 -9.599 -3.000 1.00 44.05 N ATOM 69 CA VAL A 5 9.869 -8.225 -3.103 1.00 43.13 C ATOM 70 C VAL A 5 9.078 -7.415 -4.156 1.00 22.33 C ATOM 71 O VAL A 5 8.630 -6.285 -3.891 1.00 33.32 O ATOM 72 CB VAL A 5 11.401 -8.256 -3.463 1.00 23.11 C ATOM 73 CG1 VAL A 5 12.034 -6.841 -3.464 1.00 25.43 C ATOM 74 CG2 VAL A 5 12.161 -9.211 -2.514 1.00 62.43 C ATOM 0 H VAL A 5 9.973 -10.327 -3.285 1.00 44.05 H new ATOM 0 HA VAL A 5 9.765 -7.738 -2.133 1.00 43.13 H new ATOM 0 HB VAL A 5 11.490 -8.637 -4.481 1.00 23.11 H new ATOM 0 HG11 VAL A 5 13.091 -6.916 -3.718 1.00 25.43 H new ATOM 0 HG12 VAL A 5 11.527 -6.216 -4.200 1.00 25.43 H new ATOM 0 HG13 VAL A 5 11.929 -6.395 -2.475 1.00 25.43 H new ATOM 0 HG21 VAL A 5 13.219 -9.220 -2.777 1.00 62.43 H new ATOM 0 HG22 VAL A 5 12.046 -8.869 -1.485 1.00 62.43 H new ATOM 0 HG23 VAL A 5 11.755 -10.218 -2.609 1.00 62.43 H new ATOM 84 N GLU A 6 8.880 -8.044 -5.332 1.00 72.12 N ATOM 85 CA GLU A 6 8.096 -7.476 -6.442 1.00 13.33 C ATOM 86 C GLU A 6 6.605 -7.404 -6.055 1.00 74.34 C ATOM 87 O GLU A 6 5.941 -6.399 -6.307 1.00 25.42 O ATOM 88 CB GLU A 6 8.294 -8.332 -7.728 1.00 51.32 C ATOM 89 CG GLU A 6 7.554 -7.803 -8.969 1.00 45.54 C ATOM 90 CD GLU A 6 7.810 -8.654 -10.220 1.00 52.01 C ATOM 91 OE1 GLU A 6 7.023 -9.594 -10.486 1.00 2.34 O ATOM 92 OE2 GLU A 6 8.813 -8.407 -10.929 1.00 54.23 O ATOM 0 H GLU A 6 9.263 -8.967 -5.537 1.00 72.12 H new ATOM 0 HA GLU A 6 8.446 -6.464 -6.646 1.00 13.33 H new ATOM 0 HB2 GLU A 6 9.359 -8.386 -7.952 1.00 51.32 H new ATOM 0 HB3 GLU A 6 7.958 -9.349 -7.527 1.00 51.32 H new ATOM 0 HG2 GLU A 6 6.484 -7.778 -8.765 1.00 45.54 H new ATOM 0 HG3 GLU A 6 7.866 -6.777 -9.163 1.00 45.54 H new ATOM 99 N ALA A 7 6.113 -8.473 -5.406 1.00 0.21 N ATOM 100 CA ALA A 7 4.709 -8.598 -4.966 1.00 12.13 C ATOM 101 C ALA A 7 4.330 -7.499 -3.951 1.00 35.52 C ATOM 102 O ALA A 7 3.231 -6.955 -4.000 1.00 41.30 O ATOM 103 CB ALA A 7 4.474 -9.994 -4.366 1.00 72.42 C ATOM 0 H ALA A 7 6.684 -9.285 -5.169 1.00 0.21 H new ATOM 0 HA ALA A 7 4.067 -8.469 -5.837 1.00 12.13 H new ATOM 0 HB1 ALA A 7 3.437 -10.081 -4.043 1.00 72.42 H new ATOM 0 HB2 ALA A 7 4.685 -10.754 -5.119 1.00 72.42 H new ATOM 0 HB3 ALA A 7 5.134 -10.138 -3.510 1.00 72.42 H new ATOM 109 N ALA A 8 5.278 -7.166 -3.065 1.00 21.22 N ATOM 110 CA ALA A 8 5.097 -6.153 -2.006 1.00 13.30 C ATOM 111 C ALA A 8 5.158 -4.736 -2.593 1.00 72.34 C ATOM 112 O ALA A 8 4.503 -3.816 -2.099 1.00 72.42 O ATOM 113 CB ALA A 8 6.172 -6.331 -0.930 1.00 24.52 C ATOM 0 H ALA A 8 6.204 -7.595 -3.060 1.00 21.22 H new ATOM 0 HA ALA A 8 4.114 -6.290 -1.555 1.00 13.30 H new ATOM 0 HB1 ALA A 8 6.034 -5.581 -0.151 1.00 24.52 H new ATOM 0 HB2 ALA A 8 6.089 -7.327 -0.494 1.00 24.52 H new ATOM 0 HB3 ALA A 8 7.158 -6.212 -1.378 1.00 24.52 H new ATOM 119 N LYS A 9 5.974 -4.586 -3.643 1.00 13.15 N ATOM 120 CA LYS A 9 6.102 -3.334 -4.406 1.00 33.13 C ATOM 121 C LYS A 9 4.795 -3.039 -5.177 1.00 14.45 C ATOM 122 O LYS A 9 4.354 -1.882 -5.260 1.00 34.34 O ATOM 123 CB LYS A 9 7.314 -3.472 -5.362 1.00 24.12 C ATOM 124 CG LYS A 9 7.596 -2.253 -6.254 1.00 74.11 C ATOM 125 CD LYS A 9 8.869 -2.451 -7.112 1.00 2.12 C ATOM 126 CE LYS A 9 9.143 -1.273 -8.046 1.00 64.04 C ATOM 127 NZ LYS A 9 8.097 -1.127 -9.082 1.00 41.25 N ATOM 0 H LYS A 9 6.571 -5.336 -3.992 1.00 13.15 H new ATOM 0 HA LYS A 9 6.271 -2.492 -3.735 1.00 33.13 H new ATOM 0 HB2 LYS A 9 8.203 -3.677 -4.766 1.00 24.12 H new ATOM 0 HB3 LYS A 9 7.152 -4.339 -6.002 1.00 24.12 H new ATOM 0 HG2 LYS A 9 6.742 -2.075 -6.907 1.00 74.11 H new ATOM 0 HG3 LYS A 9 7.712 -1.366 -5.631 1.00 74.11 H new ATOM 0 HD2 LYS A 9 9.726 -2.594 -6.454 1.00 2.12 H new ATOM 0 HD3 LYS A 9 8.765 -3.361 -7.703 1.00 2.12 H new ATOM 0 HE2 LYS A 9 9.204 -0.355 -7.462 1.00 64.04 H new ATOM 0 HE3 LYS A 9 10.112 -1.410 -8.527 1.00 64.04 H new ATOM 0 HZ1 LYS A 9 8.382 -0.394 -9.762 1.00 41.25 H new ATOM 0 HZ2 LYS A 9 7.973 -2.032 -9.580 1.00 41.25 H new ATOM 0 HZ3 LYS A 9 7.200 -0.853 -8.633 1.00 41.25 H new ATOM 141 N GLN A 10 4.185 -4.106 -5.727 1.00 11.31 N ATOM 142 CA GLN A 10 2.864 -4.037 -6.384 1.00 11.11 C ATOM 143 C GLN A 10 1.772 -3.732 -5.347 1.00 43.10 C ATOM 144 O GLN A 10 0.863 -2.935 -5.605 1.00 4.31 O ATOM 145 CB GLN A 10 2.539 -5.373 -7.121 1.00 61.34 C ATOM 146 CG GLN A 10 3.505 -5.741 -8.267 1.00 64.23 C ATOM 147 CD GLN A 10 3.578 -4.678 -9.364 1.00 34.01 C ATOM 148 OE1 GLN A 10 4.428 -3.782 -9.331 1.00 44.41 O ATOM 149 NE2 GLN A 10 2.680 -4.763 -10.334 1.00 25.55 N ATOM 0 H GLN A 10 4.593 -5.041 -5.729 1.00 11.31 H new ATOM 0 HA GLN A 10 2.892 -3.235 -7.121 1.00 11.11 H new ATOM 0 HB2 GLN A 10 2.541 -6.182 -6.391 1.00 61.34 H new ATOM 0 HB3 GLN A 10 1.528 -5.311 -7.525 1.00 61.34 H new ATOM 0 HG2 GLN A 10 4.502 -5.897 -7.856 1.00 64.23 H new ATOM 0 HG3 GLN A 10 3.190 -6.687 -8.708 1.00 64.23 H new ATOM 0 HE21 GLN A 10 1.993 -5.517 -10.328 1.00 25.55 H new ATOM 0 HE22 GLN A 10 2.676 -4.075 -11.087 1.00 25.55 H new ATOM 158 N ALA A 11 1.897 -4.375 -4.171 1.00 41.32 N ATOM 159 CA ALA A 11 0.932 -4.271 -3.068 1.00 23.34 C ATOM 160 C ALA A 11 0.818 -2.838 -2.553 1.00 20.51 C ATOM 161 O ALA A 11 -0.286 -2.323 -2.383 1.00 14.10 O ATOM 162 CB ALA A 11 1.327 -5.220 -1.926 1.00 64.23 C ATOM 0 H ALA A 11 2.684 -4.989 -3.961 1.00 41.32 H new ATOM 0 HA ALA A 11 -0.046 -4.562 -3.452 1.00 23.34 H new ATOM 0 HB1 ALA A 11 0.604 -5.134 -1.115 1.00 64.23 H new ATOM 0 HB2 ALA A 11 1.339 -6.246 -2.293 1.00 64.23 H new ATOM 0 HB3 ALA A 11 2.318 -4.954 -1.559 1.00 64.23 H new ATOM 168 N ALA A 12 1.979 -2.210 -2.328 1.00 13.43 N ATOM 169 CA ALA A 12 2.076 -0.843 -1.796 1.00 53.11 C ATOM 170 C ALA A 12 1.300 0.158 -2.664 1.00 65.45 C ATOM 171 O ALA A 12 0.436 0.895 -2.169 1.00 75.04 O ATOM 172 CB ALA A 12 3.551 -0.432 -1.678 1.00 24.22 C ATOM 0 H ALA A 12 2.886 -2.639 -2.511 1.00 13.43 H new ATOM 0 HA ALA A 12 1.623 -0.831 -0.805 1.00 53.11 H new ATOM 0 HB1 ALA A 12 3.616 0.582 -1.283 1.00 24.22 H new ATOM 0 HB2 ALA A 12 4.067 -1.117 -1.005 1.00 24.22 H new ATOM 0 HB3 ALA A 12 4.019 -0.469 -2.662 1.00 24.22 H new ATOM 178 N ILE A 13 1.589 0.123 -3.972 1.00 71.43 N ATOM 179 CA ILE A 13 1.005 1.044 -4.957 1.00 21.32 C ATOM 180 C ILE A 13 -0.495 0.729 -5.183 1.00 62.43 C ATOM 181 O ILE A 13 -1.288 1.641 -5.410 1.00 1.23 O ATOM 182 CB ILE A 13 1.826 0.991 -6.305 1.00 64.45 C ATOM 183 CG1 ILE A 13 3.349 1.262 -6.019 1.00 43.32 C ATOM 184 CG2 ILE A 13 1.276 2.001 -7.347 1.00 23.31 C ATOM 185 CD1 ILE A 13 4.268 1.135 -7.226 1.00 52.35 C ATOM 0 H ILE A 13 2.239 -0.550 -4.379 1.00 71.43 H new ATOM 0 HA ILE A 13 1.065 2.061 -4.569 1.00 21.32 H new ATOM 0 HB ILE A 13 1.717 -0.007 -6.729 1.00 64.45 H new ATOM 0 HG12 ILE A 13 3.452 2.266 -5.608 1.00 43.32 H new ATOM 0 HG13 ILE A 13 3.687 0.567 -5.250 1.00 43.32 H new ATOM 0 HG21 ILE A 13 1.865 1.937 -8.262 1.00 23.31 H new ATOM 0 HG22 ILE A 13 0.235 1.765 -7.568 1.00 23.31 H new ATOM 0 HG23 ILE A 13 1.341 3.012 -6.944 1.00 23.31 H new ATOM 0 HD11 ILE A 13 5.295 1.341 -6.925 1.00 52.35 H new ATOM 0 HD12 ILE A 13 4.203 0.124 -7.628 1.00 52.35 H new ATOM 0 HD13 ILE A 13 3.965 1.850 -7.991 1.00 52.35 H new ATOM 197 N ALA A 14 -0.875 -0.561 -5.069 1.00 40.12 N ATOM 198 CA ALA A 14 -2.285 -1.010 -5.224 1.00 34.21 C ATOM 199 C ALA A 14 -3.177 -0.539 -4.059 1.00 64.43 C ATOM 200 O ALA A 14 -4.380 -0.306 -4.241 1.00 55.35 O ATOM 201 CB ALA A 14 -2.351 -2.531 -5.349 1.00 60.12 C ATOM 0 H ALA A 14 -0.223 -1.319 -4.869 1.00 40.12 H new ATOM 0 HA ALA A 14 -2.667 -0.554 -6.137 1.00 34.21 H new ATOM 0 HB1 ALA A 14 -3.390 -2.842 -5.462 1.00 60.12 H new ATOM 0 HB2 ALA A 14 -1.780 -2.849 -6.221 1.00 60.12 H new ATOM 0 HB3 ALA A 14 -1.930 -2.988 -4.453 1.00 60.12 H new ATOM 207 N ILE A 15 -2.578 -0.438 -2.861 1.00 54.12 N ATOM 208 CA ILE A 15 -3.224 0.153 -1.676 1.00 13.02 C ATOM 209 C ILE A 15 -3.583 1.629 -1.969 1.00 73.10 C ATOM 210 O ILE A 15 -4.683 2.081 -1.646 1.00 32.13 O ATOM 211 CB ILE A 15 -2.286 0.015 -0.402 1.00 11.23 C ATOM 212 CG1 ILE A 15 -2.160 -1.491 0.018 1.00 23.33 C ATOM 213 CG2 ILE A 15 -2.769 0.880 0.792 1.00 14.52 C ATOM 214 CD1 ILE A 15 -1.191 -1.762 1.158 1.00 62.21 C ATOM 0 H ILE A 15 -1.628 -0.765 -2.686 1.00 54.12 H new ATOM 0 HA ILE A 15 -4.145 -0.386 -1.455 1.00 13.02 H new ATOM 0 HB ILE A 15 -1.303 0.393 -0.683 1.00 11.23 H new ATOM 0 HG12 ILE A 15 -3.146 -1.856 0.305 1.00 23.33 H new ATOM 0 HG13 ILE A 15 -1.846 -2.070 -0.851 1.00 23.33 H new ATOM 0 HG21 ILE A 15 -2.091 0.747 1.635 1.00 14.52 H new ATOM 0 HG22 ILE A 15 -2.782 1.930 0.499 1.00 14.52 H new ATOM 0 HG23 ILE A 15 -3.774 0.572 1.082 1.00 14.52 H new ATOM 0 HD11 ILE A 15 -1.174 -2.830 1.375 1.00 62.21 H new ATOM 0 HD12 ILE A 15 -0.192 -1.434 0.872 1.00 62.21 H new ATOM 0 HD13 ILE A 15 -1.512 -1.217 2.046 1.00 62.21 H new ATOM 226 N PHE A 16 -2.662 2.345 -2.646 1.00 62.05 N ATOM 227 CA PHE A 16 -2.850 3.770 -3.014 1.00 24.12 C ATOM 228 C PHE A 16 -3.847 3.933 -4.176 1.00 70.24 C ATOM 229 O PHE A 16 -4.529 4.958 -4.266 1.00 44.23 O ATOM 230 CB PHE A 16 -1.492 4.421 -3.367 1.00 14.33 C ATOM 231 CG PHE A 16 -0.434 4.254 -2.272 1.00 0.53 C ATOM 232 CD1 PHE A 16 -0.767 4.387 -0.919 1.00 34.41 C ATOM 233 CD2 PHE A 16 0.886 3.961 -2.595 1.00 65.50 C ATOM 234 CE1 PHE A 16 0.189 4.228 0.068 1.00 65.31 C ATOM 235 CE2 PHE A 16 1.836 3.804 -1.606 1.00 70.30 C ATOM 236 CZ PHE A 16 1.488 3.937 -0.277 1.00 4.11 C ATOM 0 H PHE A 16 -1.770 1.957 -2.953 1.00 62.05 H new ATOM 0 HA PHE A 16 -3.271 4.281 -2.148 1.00 24.12 H new ATOM 0 HB2 PHE A 16 -1.118 3.984 -4.293 1.00 14.33 H new ATOM 0 HB3 PHE A 16 -1.645 5.484 -3.555 1.00 14.33 H new ATOM 0 HD1 PHE A 16 -1.785 4.617 -0.642 1.00 34.41 H new ATOM 0 HD2 PHE A 16 1.171 3.855 -3.631 1.00 65.50 H new ATOM 0 HE1 PHE A 16 -0.084 4.332 1.108 1.00 65.31 H new ATOM 0 HE2 PHE A 16 2.857 3.576 -1.874 1.00 70.30 H new ATOM 0 HZ PHE A 16 2.236 3.813 0.492 1.00 4.11 H new ATOM 246 N GLN A 17 -3.908 2.917 -5.061 1.00 35.03 N ATOM 247 CA GLN A 17 -4.922 2.834 -6.141 1.00 45.52 C ATOM 248 C GLN A 17 -6.337 2.749 -5.539 1.00 0.42 C ATOM 249 O GLN A 17 -7.289 3.307 -6.093 1.00 3.23 O ATOM 250 CB GLN A 17 -4.643 1.615 -7.066 1.00 5.01 C ATOM 251 CG GLN A 17 -3.351 1.728 -7.909 1.00 24.51 C ATOM 252 CD GLN A 17 -2.998 0.447 -8.680 1.00 30.50 C ATOM 253 OE1 GLN A 17 -3.868 -0.334 -9.067 1.00 54.22 O ATOM 254 NE2 GLN A 17 -1.711 0.217 -8.903 1.00 74.33 N ATOM 0 H GLN A 17 -3.259 2.131 -5.050 1.00 35.03 H new ATOM 0 HA GLN A 17 -4.857 3.738 -6.746 1.00 45.52 H new ATOM 0 HB2 GLN A 17 -4.583 0.716 -6.452 1.00 5.01 H new ATOM 0 HB3 GLN A 17 -5.490 1.485 -7.739 1.00 5.01 H new ATOM 0 HG2 GLN A 17 -3.462 2.548 -8.618 1.00 24.51 H new ATOM 0 HG3 GLN A 17 -2.521 1.985 -7.251 1.00 24.51 H new ATOM 0 HE21 GLN A 17 -1.010 0.880 -8.572 1.00 74.33 H new ATOM 0 HE22 GLN A 17 -1.423 -0.622 -9.405 1.00 74.33 H new ATOM 263 N LEU A 18 -6.445 2.053 -4.390 1.00 25.13 N ATOM 264 CA LEU A 18 -7.685 1.993 -3.603 1.00 52.34 C ATOM 265 C LEU A 18 -7.931 3.329 -2.858 1.00 64.41 C ATOM 266 O LEU A 18 -9.058 3.805 -2.806 1.00 23.55 O ATOM 267 CB LEU A 18 -7.670 0.788 -2.613 1.00 11.04 C ATOM 268 CG LEU A 18 -7.673 -0.637 -3.274 1.00 51.21 C ATOM 269 CD1 LEU A 18 -7.708 -1.758 -2.206 1.00 15.12 C ATOM 270 CD2 LEU A 18 -8.839 -0.801 -4.283 1.00 71.55 C ATOM 0 H LEU A 18 -5.676 1.519 -3.985 1.00 25.13 H new ATOM 0 HA LEU A 18 -8.513 1.837 -4.295 1.00 52.34 H new ATOM 0 HB2 LEU A 18 -6.787 0.873 -1.980 1.00 11.04 H new ATOM 0 HB3 LEU A 18 -8.539 0.867 -1.960 1.00 11.04 H new ATOM 0 HG LEU A 18 -6.740 -0.731 -3.829 1.00 51.21 H new ATOM 0 HD11 LEU A 18 -7.709 -2.730 -2.699 1.00 15.12 H new ATOM 0 HD12 LEU A 18 -6.830 -1.677 -1.565 1.00 15.12 H new ATOM 0 HD13 LEU A 18 -8.609 -1.657 -1.601 1.00 15.12 H new ATOM 0 HD21 LEU A 18 -8.806 -1.800 -4.718 1.00 71.55 H new ATOM 0 HD22 LEU A 18 -9.789 -0.661 -3.767 1.00 71.55 H new ATOM 0 HD23 LEU A 18 -8.743 -0.057 -5.074 1.00 71.55 H new ATOM 282 N TRP A 19 -6.874 3.940 -2.306 1.00 34.33 N ATOM 283 CA TRP A 19 -6.985 5.221 -1.550 1.00 31.21 C ATOM 284 C TRP A 19 -7.539 6.374 -2.428 1.00 74.32 C ATOM 285 O TRP A 19 -8.204 7.286 -1.917 1.00 1.31 O ATOM 286 CB TRP A 19 -5.618 5.613 -0.928 1.00 13.12 C ATOM 287 CG TRP A 19 -5.180 4.806 0.278 1.00 3.43 C ATOM 288 CD1 TRP A 19 -5.738 3.656 0.778 1.00 64.11 C ATOM 289 CD2 TRP A 19 -4.082 5.126 1.151 1.00 1.41 C ATOM 290 NE1 TRP A 19 -5.044 3.241 1.884 1.00 52.12 N ATOM 291 CE2 TRP A 19 -4.029 4.125 2.137 1.00 32.11 C ATOM 292 CE3 TRP A 19 -3.137 6.163 1.186 1.00 71.12 C ATOM 293 CZ2 TRP A 19 -3.071 4.128 3.148 1.00 3.24 C ATOM 294 CZ3 TRP A 19 -2.188 6.164 2.193 1.00 21.03 C ATOM 295 CH2 TRP A 19 -2.161 5.153 3.161 1.00 12.33 C ATOM 0 H TRP A 19 -5.923 3.575 -2.363 1.00 34.33 H new ATOM 0 HA TRP A 19 -7.701 5.057 -0.745 1.00 31.21 H new ATOM 0 HB2 TRP A 19 -4.852 5.523 -1.698 1.00 13.12 H new ATOM 0 HB3 TRP A 19 -5.660 6.664 -0.641 1.00 13.12 H new ATOM 0 HD1 TRP A 19 -6.598 3.152 0.361 1.00 64.11 H new ATOM 0 HE1 TRP A 19 -5.251 2.406 2.432 1.00 52.12 H new ATOM 0 HE3 TRP A 19 -3.150 6.945 0.441 1.00 71.12 H new ATOM 0 HZ2 TRP A 19 -3.046 3.349 3.896 1.00 3.24 H new ATOM 0 HZ3 TRP A 19 -1.456 6.957 2.233 1.00 21.03 H new ATOM 0 HH2 TRP A 19 -1.407 5.181 3.934 1.00 12.33 H new ATOM 306 N LYS A 20 -7.255 6.319 -3.741 1.00 30.11 N ATOM 307 CA LYS A 20 -7.769 7.301 -4.724 1.00 42.31 C ATOM 308 C LYS A 20 -9.040 6.766 -5.432 1.00 54.44 C ATOM 309 O LYS A 20 -9.832 7.557 -5.959 1.00 42.54 O ATOM 310 CB LYS A 20 -6.649 7.661 -5.753 1.00 32.02 C ATOM 311 CG LYS A 20 -6.137 6.477 -6.602 1.00 25.42 C ATOM 312 CD LYS A 20 -4.820 6.782 -7.372 1.00 75.32 C ATOM 313 CE LYS A 20 -4.944 7.948 -8.371 1.00 74.14 C ATOM 314 NZ LYS A 20 -3.660 8.209 -9.088 1.00 63.05 N ATOM 0 H LYS A 20 -6.665 5.597 -4.154 1.00 30.11 H new ATOM 0 HA LYS A 20 -8.054 8.211 -4.196 1.00 42.31 H new ATOM 0 HB2 LYS A 20 -7.027 8.433 -6.424 1.00 32.02 H new ATOM 0 HB3 LYS A 20 -5.806 8.093 -5.213 1.00 32.02 H new ATOM 0 HG2 LYS A 20 -5.976 5.618 -5.951 1.00 25.42 H new ATOM 0 HG3 LYS A 20 -6.909 6.194 -7.318 1.00 25.42 H new ATOM 0 HD2 LYS A 20 -4.034 7.013 -6.653 1.00 75.32 H new ATOM 0 HD3 LYS A 20 -4.508 5.886 -7.909 1.00 75.32 H new ATOM 0 HE2 LYS A 20 -5.725 7.722 -9.097 1.00 74.14 H new ATOM 0 HE3 LYS A 20 -5.253 8.849 -7.840 1.00 74.14 H new ATOM 0 HZ1 LYS A 20 -3.787 9.001 -9.750 1.00 63.05 H new ATOM 0 HZ2 LYS A 20 -2.920 8.450 -8.398 1.00 63.05 H new ATOM 0 HZ3 LYS A 20 -3.378 7.358 -9.616 1.00 63.05 H new ATOM 328 N ASN A 21 -9.232 5.426 -5.438 1.00 30.54 N ATOM 329 CA ASN A 21 -10.406 4.770 -6.060 1.00 75.41 C ATOM 330 C ASN A 21 -10.622 3.374 -5.402 1.00 53.41 C ATOM 331 O ASN A 21 -10.064 2.378 -5.870 1.00 75.14 O ATOM 332 CB ASN A 21 -10.204 4.637 -7.601 1.00 10.11 C ATOM 333 CG ASN A 21 -11.422 4.063 -8.332 1.00 12.45 C ATOM 334 OD1 ASN A 21 -12.276 4.801 -8.824 1.00 42.44 O ATOM 335 ND2 ASN A 21 -11.519 2.748 -8.393 1.00 30.11 N ATOM 0 H ASN A 21 -8.578 4.770 -5.012 1.00 30.54 H new ATOM 0 HA ASN A 21 -11.294 5.380 -5.895 1.00 75.41 H new ATOM 0 HB2 ASN A 21 -9.972 5.618 -8.015 1.00 10.11 H new ATOM 0 HB3 ASN A 21 -9.342 3.998 -7.792 1.00 10.11 H new ATOM 0 HD21 ASN A 21 -12.318 2.317 -8.857 1.00 30.11 H new ATOM 0 HD22 ASN A 21 -10.795 2.163 -7.976 1.00 30.11 H new ATOM 342 N PRO A 22 -11.419 3.286 -4.283 1.00 63.32 N ATOM 343 CA PRO A 22 -11.546 2.030 -3.468 1.00 71.31 C ATOM 344 C PRO A 22 -12.273 0.887 -4.201 1.00 11.23 C ATOM 345 O PRO A 22 -12.157 -0.281 -3.813 1.00 72.43 O ATOM 346 CB PRO A 22 -12.332 2.506 -2.224 1.00 74.42 C ATOM 347 CG PRO A 22 -13.129 3.675 -2.718 1.00 34.43 C ATOM 348 CD PRO A 22 -12.243 4.385 -3.715 1.00 3.55 C ATOM 0 HA PRO A 22 -10.574 1.594 -3.236 1.00 71.31 H new ATOM 0 HB2 PRO A 22 -12.978 1.719 -1.836 1.00 74.42 H new ATOM 0 HB3 PRO A 22 -11.661 2.795 -1.415 1.00 74.42 H new ATOM 0 HG2 PRO A 22 -14.058 3.346 -3.185 1.00 34.43 H new ATOM 0 HG3 PRO A 22 -13.402 4.337 -1.896 1.00 34.43 H new ATOM 0 HD2 PRO A 22 -12.827 4.889 -4.485 1.00 3.55 H new ATOM 0 HD3 PRO A 22 -11.625 5.144 -3.235 1.00 3.55 H new ATOM 356 N THR A 23 -12.999 1.238 -5.268 1.00 0.23 N ATOM 357 CA THR A 23 -13.761 0.285 -6.079 1.00 2.31 C ATOM 358 C THR A 23 -12.903 -0.290 -7.230 1.00 65.31 C ATOM 359 O THR A 23 -13.441 -0.916 -8.146 1.00 22.11 O ATOM 360 CB THR A 23 -15.036 0.997 -6.650 1.00 74.52 C ATOM 361 OG1 THR A 23 -14.643 2.129 -7.447 1.00 2.31 O ATOM 362 CG2 THR A 23 -15.978 1.477 -5.520 1.00 1.34 C ATOM 0 H THR A 23 -13.074 2.201 -5.595 1.00 0.23 H new ATOM 0 HA THR A 23 -14.060 -0.551 -5.446 1.00 2.31 H new ATOM 0 HB THR A 23 -15.575 0.272 -7.260 1.00 74.52 H new ATOM 0 HG1 THR A 23 -15.442 2.571 -7.804 1.00 2.31 H new ATOM 0 HG21 THR A 23 -16.850 1.965 -5.956 1.00 1.34 H new ATOM 0 HG22 THR A 23 -16.300 0.621 -4.927 1.00 1.34 H new ATOM 0 HG23 THR A 23 -15.449 2.183 -4.880 1.00 1.34 H new ATOM 370 N ASP A 24 -11.562 -0.082 -7.167 1.00 24.32 N ATOM 371 CA ASP A 24 -10.625 -0.532 -8.216 1.00 75.12 C ATOM 372 C ASP A 24 -10.507 -2.073 -8.195 1.00 13.41 C ATOM 373 O ASP A 24 -9.967 -2.627 -7.223 1.00 71.32 O ATOM 374 CB ASP A 24 -9.221 0.127 -8.025 1.00 12.15 C ATOM 375 CG ASP A 24 -8.323 0.035 -9.277 1.00 20.34 C ATOM 376 OD1 ASP A 24 -8.084 1.079 -9.938 1.00 15.10 O ATOM 377 OD2 ASP A 24 -7.877 -1.081 -9.629 1.00 1.41 O ATOM 0 H ASP A 24 -11.108 0.400 -6.391 1.00 24.32 H new ATOM 0 HA ASP A 24 -11.015 -0.222 -9.186 1.00 75.12 H new ATOM 0 HB2 ASP A 24 -9.354 1.176 -7.759 1.00 12.15 H new ATOM 0 HB3 ASP A 24 -8.714 -0.353 -7.188 1.00 12.15 H new ATOM 382 N PRO A 25 -11.009 -2.788 -9.262 1.00 13.25 N ATOM 383 CA PRO A 25 -11.052 -4.266 -9.284 1.00 2.50 C ATOM 384 C PRO A 25 -9.662 -4.907 -9.471 1.00 13.54 C ATOM 385 O PRO A 25 -9.422 -6.010 -8.980 1.00 4.43 O ATOM 386 CB PRO A 25 -12.000 -4.562 -10.475 1.00 3.33 C ATOM 387 CG PRO A 25 -11.808 -3.409 -11.411 1.00 73.33 C ATOM 388 CD PRO A 25 -11.575 -2.204 -10.524 1.00 51.52 C ATOM 0 HA PRO A 25 -11.396 -4.690 -8.341 1.00 2.50 H new ATOM 0 HB2 PRO A 25 -11.749 -5.508 -10.955 1.00 3.33 H new ATOM 0 HB3 PRO A 25 -13.037 -4.637 -10.147 1.00 3.33 H new ATOM 0 HG2 PRO A 25 -10.960 -3.579 -12.074 1.00 73.33 H new ATOM 0 HG3 PRO A 25 -12.684 -3.267 -12.044 1.00 73.33 H new ATOM 0 HD2 PRO A 25 -10.883 -1.498 -10.983 1.00 51.52 H new ATOM 0 HD3 PRO A 25 -12.502 -1.663 -10.333 1.00 51.52 H new ATOM 396 N GLU A 26 -8.750 -4.189 -10.157 1.00 62.42 N ATOM 397 CA GLU A 26 -7.406 -4.694 -10.485 1.00 51.21 C ATOM 398 C GLU A 26 -6.489 -4.657 -9.252 1.00 34.45 C ATOM 399 O GLU A 26 -5.725 -5.607 -9.001 1.00 4.44 O ATOM 400 CB GLU A 26 -6.787 -3.870 -11.648 1.00 21.03 C ATOM 401 CG GLU A 26 -7.620 -3.895 -12.944 1.00 4.33 C ATOM 402 CD GLU A 26 -6.935 -3.184 -14.121 1.00 33.23 C ATOM 403 OE1 GLU A 26 -7.213 -1.985 -14.351 1.00 40.42 O ATOM 404 OE2 GLU A 26 -6.106 -3.819 -14.819 1.00 33.02 O ATOM 0 H GLU A 26 -8.926 -3.244 -10.498 1.00 62.42 H new ATOM 0 HA GLU A 26 -7.501 -5.732 -10.805 1.00 51.21 H new ATOM 0 HB2 GLU A 26 -6.668 -2.836 -11.324 1.00 21.03 H new ATOM 0 HB3 GLU A 26 -5.789 -4.254 -11.861 1.00 21.03 H new ATOM 0 HG2 GLU A 26 -7.819 -4.931 -13.220 1.00 4.33 H new ATOM 0 HG3 GLU A 26 -8.585 -3.424 -12.756 1.00 4.33 H new ATOM 411 N ALA A 27 -6.585 -3.557 -8.490 1.00 45.23 N ATOM 412 CA ALA A 27 -5.799 -3.344 -7.270 1.00 53.54 C ATOM 413 C ALA A 27 -6.104 -4.433 -6.232 1.00 35.32 C ATOM 414 O ALA A 27 -5.207 -5.154 -5.803 1.00 41.33 O ATOM 415 CB ALA A 27 -6.075 -1.942 -6.701 1.00 34.13 C ATOM 0 H ALA A 27 -7.216 -2.785 -8.707 1.00 45.23 H new ATOM 0 HA ALA A 27 -4.740 -3.410 -7.518 1.00 53.54 H new ATOM 0 HB1 ALA A 27 -5.486 -1.794 -5.795 1.00 34.13 H new ATOM 0 HB2 ALA A 27 -5.800 -1.189 -7.439 1.00 34.13 H new ATOM 0 HB3 ALA A 27 -7.135 -1.848 -6.464 1.00 34.13 H new ATOM 421 N GLN A 28 -7.394 -4.584 -5.883 1.00 31.14 N ATOM 422 CA GLN A 28 -7.841 -5.573 -4.877 1.00 63.14 C ATOM 423 C GLN A 28 -7.636 -7.034 -5.366 1.00 42.24 C ATOM 424 O GLN A 28 -7.504 -7.944 -4.543 1.00 53.05 O ATOM 425 CB GLN A 28 -9.325 -5.328 -4.496 1.00 4.31 C ATOM 426 CG GLN A 28 -10.324 -5.591 -5.637 1.00 74.43 C ATOM 427 CD GLN A 28 -11.765 -5.246 -5.271 1.00 30.32 C ATOM 428 OE1 GLN A 28 -12.517 -6.091 -4.778 1.00 2.25 O ATOM 429 NE2 GLN A 28 -12.149 -4.000 -5.499 1.00 23.25 N ATOM 0 H GLN A 28 -8.152 -4.032 -6.284 1.00 31.14 H new ATOM 0 HA GLN A 28 -7.222 -5.438 -3.990 1.00 63.14 H new ATOM 0 HB2 GLN A 28 -9.581 -5.966 -3.650 1.00 4.31 H new ATOM 0 HB3 GLN A 28 -9.437 -4.297 -4.162 1.00 4.31 H new ATOM 0 HG2 GLN A 28 -10.029 -5.009 -6.510 1.00 74.43 H new ATOM 0 HG3 GLN A 28 -10.271 -6.642 -5.922 1.00 74.43 H new ATOM 0 HE21 GLN A 28 -11.496 -3.332 -5.908 1.00 23.25 H new ATOM 0 HE22 GLN A 28 -13.098 -3.708 -5.265 1.00 23.25 H new ATOM 438 N GLU A 29 -7.627 -7.234 -6.712 1.00 64.00 N ATOM 439 CA GLU A 29 -7.388 -8.558 -7.338 1.00 34.41 C ATOM 440 C GLU A 29 -6.008 -9.087 -6.944 1.00 64.13 C ATOM 441 O GLU A 29 -5.893 -10.183 -6.376 1.00 40.21 O ATOM 442 CB GLU A 29 -7.486 -8.478 -8.889 1.00 43.21 C ATOM 443 CG GLU A 29 -7.294 -9.825 -9.618 1.00 63.10 C ATOM 444 CD GLU A 29 -7.236 -9.674 -11.142 1.00 74.22 C ATOM 445 OE1 GLU A 29 -8.301 -9.515 -11.776 1.00 74.30 O ATOM 446 OE2 GLU A 29 -6.119 -9.692 -11.718 1.00 73.34 O ATOM 0 H GLU A 29 -7.784 -6.486 -7.387 1.00 64.00 H new ATOM 0 HA GLU A 29 -8.160 -9.238 -6.977 1.00 34.41 H new ATOM 0 HB2 GLU A 29 -8.461 -8.071 -9.157 1.00 43.21 H new ATOM 0 HB3 GLU A 29 -6.736 -7.774 -9.251 1.00 43.21 H new ATOM 0 HG2 GLU A 29 -6.374 -10.294 -9.269 1.00 63.10 H new ATOM 0 HG3 GLU A 29 -8.113 -10.495 -9.355 1.00 63.10 H new ATOM 453 N LEU A 30 -4.964 -8.285 -7.227 1.00 34.13 N ATOM 454 CA LEU A 30 -3.579 -8.687 -6.957 1.00 71.51 C ATOM 455 C LEU A 30 -3.324 -8.755 -5.438 1.00 12.52 C ATOM 456 O LEU A 30 -2.618 -9.654 -4.986 1.00 63.25 O ATOM 457 CB LEU A 30 -2.572 -7.766 -7.724 1.00 35.15 C ATOM 458 CG LEU A 30 -2.515 -6.235 -7.348 1.00 54.43 C ATOM 459 CD1 LEU A 30 -1.529 -5.952 -6.192 1.00 10.42 C ATOM 460 CD2 LEU A 30 -2.189 -5.355 -8.581 1.00 30.51 C ATOM 0 H LEU A 30 -5.058 -7.358 -7.642 1.00 34.13 H new ATOM 0 HA LEU A 30 -3.413 -9.694 -7.340 1.00 71.51 H new ATOM 0 HB2 LEU A 30 -1.573 -8.179 -7.584 1.00 35.15 H new ATOM 0 HB3 LEU A 30 -2.801 -7.838 -8.787 1.00 35.15 H new ATOM 0 HG LEU A 30 -3.511 -5.966 -6.997 1.00 54.43 H new ATOM 0 HD11 LEU A 30 -1.525 -4.885 -5.970 1.00 10.42 H new ATOM 0 HD12 LEU A 30 -1.839 -6.506 -5.306 1.00 10.42 H new ATOM 0 HD13 LEU A 30 -0.527 -6.265 -6.484 1.00 10.42 H new ATOM 0 HD21 LEU A 30 -2.158 -4.307 -8.282 1.00 30.51 H new ATOM 0 HD22 LEU A 30 -1.221 -5.645 -8.989 1.00 30.51 H new ATOM 0 HD23 LEU A 30 -2.959 -5.493 -9.340 1.00 30.51 H new ATOM 472 N LEU A 31 -3.965 -7.842 -4.664 1.00 70.54 N ATOM 473 CA LEU A 31 -3.889 -7.820 -3.178 1.00 45.10 C ATOM 474 C LEU A 31 -4.480 -9.099 -2.545 1.00 63.44 C ATOM 475 O LEU A 31 -4.062 -9.502 -1.461 1.00 43.02 O ATOM 476 CB LEU A 31 -4.614 -6.566 -2.599 1.00 43.23 C ATOM 477 CG LEU A 31 -3.981 -5.176 -2.936 1.00 61.04 C ATOM 478 CD1 LEU A 31 -4.807 -4.021 -2.328 1.00 71.13 C ATOM 479 CD2 LEU A 31 -2.512 -5.096 -2.487 1.00 64.44 C ATOM 0 H LEU A 31 -4.549 -7.101 -5.051 1.00 70.54 H new ATOM 0 HA LEU A 31 -2.831 -7.774 -2.922 1.00 45.10 H new ATOM 0 HB2 LEU A 31 -5.642 -6.569 -2.961 1.00 43.23 H new ATOM 0 HB3 LEU A 31 -4.657 -6.667 -1.515 1.00 43.23 H new ATOM 0 HG LEU A 31 -4.000 -5.069 -4.021 1.00 61.04 H new ATOM 0 HD11 LEU A 31 -4.341 -3.068 -2.580 1.00 71.13 H new ATOM 0 HD12 LEU A 31 -5.820 -4.047 -2.730 1.00 71.13 H new ATOM 0 HD13 LEU A 31 -4.844 -4.131 -1.244 1.00 71.13 H new ATOM 0 HD21 LEU A 31 -2.108 -4.116 -2.738 1.00 64.44 H new ATOM 0 HD22 LEU A 31 -2.452 -5.248 -1.409 1.00 64.44 H new ATOM 0 HD23 LEU A 31 -1.934 -5.868 -2.995 1.00 64.44 H new ATOM 491 N ASN A 32 -5.459 -9.712 -3.227 1.00 71.14 N ATOM 492 CA ASN A 32 -6.104 -10.968 -2.762 1.00 71.44 C ATOM 493 C ASN A 32 -5.126 -12.148 -2.923 1.00 13.43 C ATOM 494 O ASN A 32 -5.080 -13.058 -2.091 1.00 12.12 O ATOM 495 CB ASN A 32 -7.415 -11.220 -3.577 1.00 42.24 C ATOM 496 CG ASN A 32 -8.414 -12.191 -2.911 1.00 5.14 C ATOM 497 OD1 ASN A 32 -8.050 -13.081 -2.142 1.00 12.05 O ATOM 498 ND2 ASN A 32 -9.692 -12.025 -3.222 1.00 70.35 N ATOM 0 H ASN A 32 -5.830 -9.362 -4.110 1.00 71.14 H new ATOM 0 HA ASN A 32 -6.363 -10.876 -1.707 1.00 71.44 H new ATOM 0 HB2 ASN A 32 -7.913 -10.265 -3.742 1.00 42.24 H new ATOM 0 HB3 ASN A 32 -7.147 -11.613 -4.558 1.00 42.24 H new ATOM 0 HD21 ASN A 32 -10.399 -12.642 -2.822 1.00 70.35 H new ATOM 0 HD22 ASN A 32 -9.969 -11.280 -3.862 1.00 70.35 H new ATOM 505 N LYS A 33 -4.331 -12.078 -4.002 1.00 40.21 N ATOM 506 CA LYS A 33 -3.397 -13.140 -4.412 1.00 62.33 C ATOM 507 C LYS A 33 -2.092 -13.100 -3.583 1.00 20.31 C ATOM 508 O LYS A 33 -1.556 -14.154 -3.209 1.00 41.53 O ATOM 509 CB LYS A 33 -3.098 -12.968 -5.935 1.00 21.23 C ATOM 510 CG LYS A 33 -4.365 -13.035 -6.828 1.00 55.33 C ATOM 511 CD LYS A 33 -4.138 -12.535 -8.279 1.00 21.22 C ATOM 512 CE LYS A 33 -3.106 -13.355 -9.063 1.00 25.23 C ATOM 513 NZ LYS A 33 -2.912 -12.826 -10.441 1.00 3.15 N ATOM 0 H LYS A 33 -4.318 -11.270 -4.624 1.00 40.21 H new ATOM 0 HA LYS A 33 -3.852 -14.113 -4.229 1.00 62.33 H new ATOM 0 HB2 LYS A 33 -2.602 -12.010 -6.094 1.00 21.23 H new ATOM 0 HB3 LYS A 33 -2.400 -13.744 -6.250 1.00 21.23 H new ATOM 0 HG2 LYS A 33 -4.721 -14.065 -6.860 1.00 55.33 H new ATOM 0 HG3 LYS A 33 -5.154 -12.440 -6.368 1.00 55.33 H new ATOM 0 HD2 LYS A 33 -5.088 -12.557 -8.814 1.00 21.22 H new ATOM 0 HD3 LYS A 33 -3.814 -11.495 -8.248 1.00 21.22 H new ATOM 0 HE2 LYS A 33 -2.154 -13.345 -8.532 1.00 25.23 H new ATOM 0 HE3 LYS A 33 -3.431 -14.394 -9.115 1.00 25.23 H new ATOM 0 HZ1 LYS A 33 -2.207 -13.406 -10.940 1.00 3.15 H new ATOM 0 HZ2 LYS A 33 -3.815 -12.859 -10.956 1.00 3.15 H new ATOM 0 HZ3 LYS A 33 -2.578 -11.842 -10.391 1.00 3.15 H new ATOM 527 N ILE A 34 -1.592 -11.884 -3.287 1.00 52.13 N ATOM 528 CA ILE A 34 -0.265 -11.692 -2.645 1.00 42.10 C ATOM 529 C ILE A 34 -0.384 -11.516 -1.110 1.00 65.35 C ATOM 530 O ILE A 34 0.431 -12.059 -0.346 1.00 73.13 O ATOM 531 CB ILE A 34 0.503 -10.473 -3.292 1.00 55.52 C ATOM 532 CG1 ILE A 34 -0.261 -9.137 -3.051 1.00 23.45 C ATOM 533 CG2 ILE A 34 0.731 -10.717 -4.806 1.00 21.35 C ATOM 534 CD1 ILE A 34 0.230 -7.955 -3.852 1.00 5.42 C ATOM 0 H ILE A 34 -2.086 -11.013 -3.481 1.00 52.13 H new ATOM 0 HA ILE A 34 0.314 -12.598 -2.824 1.00 42.10 H new ATOM 0 HB ILE A 34 1.476 -10.389 -2.808 1.00 55.52 H new ATOM 0 HG12 ILE A 34 -1.315 -9.295 -3.278 1.00 23.45 H new ATOM 0 HG13 ILE A 34 -0.197 -8.888 -1.992 1.00 23.45 H new ATOM 0 HG21 ILE A 34 1.261 -9.867 -5.236 1.00 21.35 H new ATOM 0 HG22 ILE A 34 1.323 -11.622 -4.944 1.00 21.35 H new ATOM 0 HG23 ILE A 34 -0.231 -10.834 -5.305 1.00 21.35 H new ATOM 0 HD11 ILE A 34 -0.369 -7.077 -3.610 1.00 5.42 H new ATOM 0 HD12 ILE A 34 1.275 -7.760 -3.610 1.00 5.42 H new ATOM 0 HD13 ILE A 34 0.139 -8.174 -4.916 1.00 5.42 H new ATOM 546 N LEU A 35 -1.407 -10.758 -0.680 1.00 72.41 N ATOM 547 CA LEU A 35 -1.694 -10.501 0.743 1.00 30.11 C ATOM 548 C LEU A 35 -2.850 -11.413 1.201 1.00 63.10 C ATOM 549 O LEU A 35 -3.308 -12.288 0.450 1.00 64.03 O ATOM 550 CB LEU A 35 -2.064 -8.990 0.970 1.00 34.34 C ATOM 551 CG LEU A 35 -1.073 -7.924 0.392 1.00 33.14 C ATOM 552 CD1 LEU A 35 -1.535 -6.487 0.711 1.00 72.35 C ATOM 553 CD2 LEU A 35 0.373 -8.151 0.874 1.00 52.00 C ATOM 0 H LEU A 35 -2.063 -10.303 -1.314 1.00 72.41 H new ATOM 0 HA LEU A 35 -0.804 -10.721 1.333 1.00 30.11 H new ATOM 0 HB2 LEU A 35 -3.047 -8.812 0.533 1.00 34.34 H new ATOM 0 HB3 LEU A 35 -2.157 -8.821 2.043 1.00 34.34 H new ATOM 0 HG LEU A 35 -1.080 -8.050 -0.691 1.00 33.14 H new ATOM 0 HD11 LEU A 35 -0.823 -5.775 0.294 1.00 72.35 H new ATOM 0 HD12 LEU A 35 -2.518 -6.315 0.273 1.00 72.35 H new ATOM 0 HD13 LEU A 35 -1.591 -6.354 1.791 1.00 72.35 H new ATOM 0 HD21 LEU A 35 1.023 -7.387 0.447 1.00 52.00 H new ATOM 0 HD22 LEU A 35 0.408 -8.090 1.962 1.00 52.00 H new ATOM 0 HD23 LEU A 35 0.712 -9.136 0.555 1.00 52.00 H new ATOM 565 N SER A 36 -3.289 -11.219 2.451 1.00 54.54 N ATOM 566 CA SER A 36 -4.542 -11.806 2.952 1.00 72.22 C ATOM 567 C SER A 36 -5.749 -11.008 2.381 1.00 11.24 C ATOM 568 O SER A 36 -5.633 -9.790 2.199 1.00 31.14 O ATOM 569 CB SER A 36 -4.564 -11.766 4.498 1.00 52.11 C ATOM 570 OG SER A 36 -3.357 -12.272 5.028 1.00 2.13 O ATOM 0 H SER A 36 -2.791 -10.655 3.140 1.00 54.54 H new ATOM 0 HA SER A 36 -4.610 -12.845 2.629 1.00 72.22 H new ATOM 0 HB2 SER A 36 -4.715 -10.741 4.838 1.00 52.11 H new ATOM 0 HB3 SER A 36 -5.404 -12.352 4.870 1.00 52.11 H new ATOM 0 HG SER A 36 -3.389 -12.237 6.007 1.00 2.13 H new ATOM 576 N PRO A 37 -6.922 -11.664 2.092 1.00 72.42 N ATOM 577 CA PRO A 37 -8.154 -10.955 1.623 1.00 13.20 C ATOM 578 C PRO A 37 -8.736 -10.004 2.700 1.00 13.21 C ATOM 579 O PRO A 37 -9.496 -9.078 2.392 1.00 11.30 O ATOM 580 CB PRO A 37 -9.114 -12.128 1.274 1.00 24.23 C ATOM 581 CG PRO A 37 -8.646 -13.277 2.118 1.00 73.02 C ATOM 582 CD PRO A 37 -7.141 -13.140 2.172 1.00 3.41 C ATOM 0 HA PRO A 37 -7.971 -10.292 0.777 1.00 13.20 H new ATOM 0 HB2 PRO A 37 -10.149 -11.870 1.497 1.00 24.23 H new ATOM 0 HB3 PRO A 37 -9.068 -12.373 0.213 1.00 24.23 H new ATOM 0 HG2 PRO A 37 -9.082 -13.236 3.116 1.00 73.02 H new ATOM 0 HG3 PRO A 37 -8.939 -14.232 1.682 1.00 73.02 H new ATOM 0 HD2 PRO A 37 -6.733 -13.557 3.093 1.00 3.41 H new ATOM 0 HD3 PRO A 37 -6.660 -13.663 1.345 1.00 3.41 H new ATOM 590 N ASP A 38 -8.349 -10.254 3.959 1.00 42.12 N ATOM 591 CA ASP A 38 -8.665 -9.395 5.117 1.00 1.32 C ATOM 592 C ASP A 38 -7.934 -8.041 5.027 1.00 72.42 C ATOM 593 O ASP A 38 -8.446 -7.021 5.505 1.00 1.21 O ATOM 594 CB ASP A 38 -8.261 -10.105 6.444 1.00 62.41 C ATOM 595 CG ASP A 38 -8.907 -11.489 6.633 1.00 73.14 C ATOM 596 OD1 ASP A 38 -9.844 -11.633 7.457 1.00 32.44 O ATOM 597 OD2 ASP A 38 -8.474 -12.446 5.955 1.00 61.21 O ATOM 0 H ASP A 38 -7.797 -11.074 4.209 1.00 42.12 H new ATOM 0 HA ASP A 38 -9.740 -9.214 5.107 1.00 1.32 H new ATOM 0 HB2 ASP A 38 -7.177 -10.214 6.470 1.00 62.41 H new ATOM 0 HB3 ASP A 38 -8.538 -9.468 7.284 1.00 62.41 H new ATOM 602 N VAL A 39 -6.729 -8.053 4.418 1.00 3.14 N ATOM 603 CA VAL A 39 -5.881 -6.853 4.294 1.00 44.01 C ATOM 604 C VAL A 39 -6.515 -5.851 3.315 1.00 23.34 C ATOM 605 O VAL A 39 -6.655 -4.677 3.647 1.00 33.23 O ATOM 606 CB VAL A 39 -4.412 -7.205 3.854 1.00 31.21 C ATOM 607 CG1 VAL A 39 -3.569 -5.929 3.641 1.00 64.13 C ATOM 608 CG2 VAL A 39 -3.728 -8.145 4.880 1.00 1.44 C ATOM 0 H VAL A 39 -6.321 -8.890 4.002 1.00 3.14 H new ATOM 0 HA VAL A 39 -5.817 -6.395 5.281 1.00 44.01 H new ATOM 0 HB VAL A 39 -4.475 -7.731 2.902 1.00 31.21 H new ATOM 0 HG11 VAL A 39 -2.559 -6.206 3.338 1.00 64.13 H new ATOM 0 HG12 VAL A 39 -4.026 -5.316 2.864 1.00 64.13 H new ATOM 0 HG13 VAL A 39 -3.526 -5.362 4.571 1.00 64.13 H new ATOM 0 HG21 VAL A 39 -2.714 -8.370 4.548 1.00 1.44 H new ATOM 0 HG22 VAL A 39 -3.691 -7.656 5.853 1.00 1.44 H new ATOM 0 HG23 VAL A 39 -4.297 -9.071 4.961 1.00 1.44 H new ATOM 618 N LEU A 40 -6.925 -6.318 2.124 1.00 35.34 N ATOM 619 CA LEU A 40 -7.593 -5.439 1.134 1.00 52.24 C ATOM 620 C LEU A 40 -8.941 -4.938 1.686 1.00 22.32 C ATOM 621 O LEU A 40 -9.373 -3.834 1.357 1.00 43.40 O ATOM 622 CB LEU A 40 -7.766 -6.152 -0.250 1.00 25.41 C ATOM 623 CG LEU A 40 -8.681 -7.438 -0.310 1.00 2.12 C ATOM 624 CD1 LEU A 40 -10.192 -7.116 -0.486 1.00 14.33 C ATOM 625 CD2 LEU A 40 -8.211 -8.397 -1.410 1.00 12.23 C ATOM 0 H LEU A 40 -6.810 -7.285 1.821 1.00 35.34 H new ATOM 0 HA LEU A 40 -6.952 -4.574 0.963 1.00 52.24 H new ATOM 0 HB2 LEU A 40 -8.167 -5.423 -0.954 1.00 25.41 H new ATOM 0 HB3 LEU A 40 -6.775 -6.430 -0.609 1.00 25.41 H new ATOM 0 HG LEU A 40 -8.576 -7.923 0.661 1.00 2.12 H new ATOM 0 HD11 LEU A 40 -10.761 -8.045 -0.519 1.00 14.33 H new ATOM 0 HD12 LEU A 40 -10.535 -6.510 0.353 1.00 14.33 H new ATOM 0 HD13 LEU A 40 -10.341 -6.566 -1.415 1.00 14.33 H new ATOM 0 HD21 LEU A 40 -8.858 -9.274 -1.429 1.00 12.23 H new ATOM 0 HD22 LEU A 40 -8.254 -7.893 -2.375 1.00 12.23 H new ATOM 0 HD23 LEU A 40 -7.186 -8.707 -1.208 1.00 12.23 H new ATOM 637 N ASP A 41 -9.570 -5.776 2.543 1.00 4.31 N ATOM 638 CA ASP A 41 -10.889 -5.513 3.143 1.00 54.44 C ATOM 639 C ASP A 41 -10.835 -4.327 4.131 1.00 24.41 C ATOM 640 O ASP A 41 -11.756 -3.495 4.166 1.00 42.33 O ATOM 641 CB ASP A 41 -11.400 -6.799 3.843 1.00 61.14 C ATOM 642 CG ASP A 41 -12.833 -6.675 4.380 1.00 42.24 C ATOM 643 OD1 ASP A 41 -13.020 -6.545 5.609 1.00 0.44 O ATOM 644 OD2 ASP A 41 -13.779 -6.676 3.564 1.00 51.12 O ATOM 0 H ASP A 41 -9.166 -6.665 2.838 1.00 4.31 H new ATOM 0 HA ASP A 41 -11.585 -5.235 2.351 1.00 54.44 H new ATOM 0 HB2 ASP A 41 -11.355 -7.629 3.138 1.00 61.14 H new ATOM 0 HB3 ASP A 41 -10.731 -7.045 4.668 1.00 61.14 H new ATOM 649 N GLN A 42 -9.754 -4.251 4.930 1.00 63.01 N ATOM 650 CA GLN A 42 -9.542 -3.124 5.865 1.00 23.54 C ATOM 651 C GLN A 42 -9.026 -1.870 5.110 1.00 71.23 C ATOM 652 O GLN A 42 -9.380 -0.736 5.467 1.00 10.30 O ATOM 653 CB GLN A 42 -8.589 -3.537 7.028 1.00 62.03 C ATOM 654 CG GLN A 42 -7.184 -3.989 6.586 1.00 52.30 C ATOM 655 CD GLN A 42 -6.274 -4.495 7.707 1.00 0.20 C ATOM 656 OE1 GLN A 42 -6.733 -5.019 8.725 1.00 65.22 O ATOM 657 NE2 GLN A 42 -4.968 -4.367 7.512 1.00 24.32 N ATOM 0 H GLN A 42 -9.014 -4.953 4.949 1.00 63.01 H new ATOM 0 HA GLN A 42 -10.501 -2.862 6.311 1.00 23.54 H new ATOM 0 HB2 GLN A 42 -8.485 -2.693 7.710 1.00 62.03 H new ATOM 0 HB3 GLN A 42 -9.055 -4.346 7.590 1.00 62.03 H new ATOM 0 HG2 GLN A 42 -7.292 -4.780 5.844 1.00 52.30 H new ATOM 0 HG3 GLN A 42 -6.691 -3.153 6.091 1.00 52.30 H new ATOM 0 HE21 GLN A 42 -4.620 -3.929 6.659 1.00 24.32 H new ATOM 0 HE22 GLN A 42 -4.312 -4.707 8.215 1.00 24.32 H new ATOM 666 N VAL A 43 -8.225 -2.096 4.033 1.00 32.42 N ATOM 667 CA VAL A 43 -7.658 -1.010 3.193 1.00 14.23 C ATOM 668 C VAL A 43 -8.775 -0.222 2.482 1.00 3.45 C ATOM 669 O VAL A 43 -8.782 1.010 2.528 1.00 31.31 O ATOM 670 CB VAL A 43 -6.600 -1.551 2.135 1.00 21.02 C ATOM 671 CG1 VAL A 43 -6.265 -0.505 1.033 1.00 10.22 C ATOM 672 CG2 VAL A 43 -5.296 -2.014 2.840 1.00 21.23 C ATOM 0 H VAL A 43 -7.957 -3.031 3.726 1.00 32.42 H new ATOM 0 HA VAL A 43 -7.127 -0.337 3.867 1.00 14.23 H new ATOM 0 HB VAL A 43 -7.066 -2.405 1.644 1.00 21.02 H new ATOM 0 HG11 VAL A 43 -5.539 -0.928 0.339 1.00 10.22 H new ATOM 0 HG12 VAL A 43 -7.174 -0.243 0.492 1.00 10.22 H new ATOM 0 HG13 VAL A 43 -5.847 0.389 1.495 1.00 10.22 H new ATOM 0 HG21 VAL A 43 -4.589 -2.379 2.095 1.00 21.23 H new ATOM 0 HG22 VAL A 43 -4.855 -1.174 3.377 1.00 21.23 H new ATOM 0 HG23 VAL A 43 -5.527 -2.814 3.544 1.00 21.23 H new ATOM 682 N ARG A 44 -9.731 -0.946 1.856 1.00 21.21 N ATOM 683 CA ARG A 44 -10.803 -0.325 1.043 1.00 14.02 C ATOM 684 C ARG A 44 -11.715 0.590 1.886 1.00 63.04 C ATOM 685 O ARG A 44 -12.217 1.583 1.376 1.00 3.03 O ATOM 686 CB ARG A 44 -11.604 -1.405 0.223 1.00 31.14 C ATOM 687 CG ARG A 44 -12.255 -2.575 1.029 1.00 51.33 C ATOM 688 CD ARG A 44 -13.639 -2.256 1.640 1.00 73.10 C ATOM 689 NE ARG A 44 -14.126 -3.355 2.511 1.00 20.43 N ATOM 690 CZ ARG A 44 -15.375 -3.468 3.001 1.00 34.04 C ATOM 691 NH1 ARG A 44 -16.311 -2.576 2.719 1.00 54.14 N ATOM 692 NH2 ARG A 44 -15.672 -4.470 3.818 1.00 71.45 N ATOM 0 H ARG A 44 -9.782 -1.964 1.898 1.00 21.21 H new ATOM 0 HA ARG A 44 -10.324 0.326 0.312 1.00 14.02 H new ATOM 0 HB2 ARG A 44 -12.394 -0.894 -0.328 1.00 31.14 H new ATOM 0 HB3 ARG A 44 -10.929 -1.838 -0.515 1.00 31.14 H new ATOM 0 HG2 ARG A 44 -12.355 -3.438 0.371 1.00 51.33 H new ATOM 0 HG3 ARG A 44 -11.578 -2.864 1.833 1.00 51.33 H new ATOM 0 HD2 ARG A 44 -13.577 -1.334 2.219 1.00 73.10 H new ATOM 0 HD3 ARG A 44 -14.358 -2.082 0.839 1.00 73.10 H new ATOM 0 HE ARG A 44 -13.459 -4.086 2.759 1.00 20.43 H new ATOM 0 HH11 ARG A 44 -16.093 -1.781 2.118 1.00 54.14 H new ATOM 0 HH12 ARG A 44 -17.250 -2.684 3.102 1.00 54.14 H new ATOM 0 HH21 ARG A 44 -14.956 -5.150 4.072 1.00 71.45 H new ATOM 0 HH22 ARG A 44 -16.617 -4.560 4.192 1.00 71.45 H new ATOM 706 N GLU A 45 -11.883 0.281 3.184 1.00 44.53 N ATOM 707 CA GLU A 45 -12.706 1.102 4.104 1.00 41.41 C ATOM 708 C GLU A 45 -12.044 2.457 4.420 1.00 0.21 C ATOM 709 O GLU A 45 -12.707 3.503 4.347 1.00 43.14 O ATOM 710 CB GLU A 45 -13.013 0.310 5.401 1.00 0.15 C ATOM 711 CG GLU A 45 -14.138 -0.733 5.246 1.00 55.41 C ATOM 712 CD GLU A 45 -15.505 -0.104 4.893 1.00 5.33 C ATOM 713 OE1 GLU A 45 -16.275 0.234 5.821 1.00 3.44 O ATOM 714 OE2 GLU A 45 -15.808 0.087 3.690 1.00 42.03 O ATOM 0 H GLU A 45 -11.459 -0.535 3.626 1.00 44.53 H new ATOM 0 HA GLU A 45 -13.647 1.324 3.600 1.00 41.41 H new ATOM 0 HB2 GLU A 45 -12.105 -0.196 5.729 1.00 0.15 H new ATOM 0 HB3 GLU A 45 -13.289 1.013 6.187 1.00 0.15 H new ATOM 0 HG2 GLU A 45 -13.861 -1.445 4.468 1.00 55.41 H new ATOM 0 HG3 GLU A 45 -14.233 -1.296 6.174 1.00 55.41 H new ATOM 721 N HIS A 46 -10.750 2.428 4.768 1.00 11.13 N ATOM 722 CA HIS A 46 -9.960 3.654 5.034 1.00 70.33 C ATOM 723 C HIS A 46 -9.800 4.478 3.743 1.00 63.30 C ATOM 724 O HIS A 46 -9.743 5.713 3.776 1.00 20.01 O ATOM 725 CB HIS A 46 -8.579 3.273 5.633 1.00 45.32 C ATOM 726 CG HIS A 46 -8.657 2.768 7.056 1.00 53.14 C ATOM 727 ND1 HIS A 46 -8.133 3.452 8.132 1.00 42.43 N ATOM 728 CD2 HIS A 46 -9.214 1.645 7.577 1.00 64.13 C ATOM 729 CE1 HIS A 46 -8.363 2.781 9.238 1.00 23.41 C ATOM 730 NE2 HIS A 46 -9.018 1.682 8.933 1.00 32.00 N ATOM 0 H HIS A 46 -10.218 1.564 4.874 1.00 11.13 H new ATOM 0 HA HIS A 46 -10.489 4.271 5.760 1.00 70.33 H new ATOM 0 HB2 HIS A 46 -8.120 2.506 5.009 1.00 45.32 H new ATOM 0 HB3 HIS A 46 -7.925 4.144 5.600 1.00 45.32 H new ATOM 0 HD2 HIS A 46 -9.719 0.866 7.025 1.00 64.13 H new ATOM 0 HE1 HIS A 46 -8.064 3.082 10.231 1.00 23.41 H new ATOM 0 HE2 HIS A 46 -9.329 0.973 9.597 1.00 32.00 H new ATOM 739 N ALA A 47 -9.762 3.757 2.623 1.00 63.35 N ATOM 740 CA ALA A 47 -9.692 4.325 1.272 1.00 15.43 C ATOM 741 C ALA A 47 -10.966 5.119 0.915 1.00 12.31 C ATOM 742 O ALA A 47 -10.894 6.175 0.279 1.00 51.44 O ATOM 743 CB ALA A 47 -9.473 3.188 0.277 1.00 0.31 C ATOM 0 H ALA A 47 -9.779 2.737 2.627 1.00 63.35 H new ATOM 0 HA ALA A 47 -8.860 5.028 1.229 1.00 15.43 H new ATOM 0 HB1 ALA A 47 -9.419 3.594 -0.733 1.00 0.31 H new ATOM 0 HB2 ALA A 47 -8.541 2.673 0.512 1.00 0.31 H new ATOM 0 HB3 ALA A 47 -10.303 2.484 0.341 1.00 0.31 H new ATOM 749 N ARG A 48 -12.133 4.582 1.334 1.00 70.34 N ATOM 750 CA ARG A 48 -13.444 5.239 1.141 1.00 63.41 C ATOM 751 C ARG A 48 -13.555 6.514 1.987 1.00 3.31 C ATOM 752 O ARG A 48 -14.240 7.455 1.593 1.00 22.13 O ATOM 753 CB ARG A 48 -14.608 4.265 1.488 1.00 61.43 C ATOM 754 CG ARG A 48 -14.760 3.080 0.513 1.00 61.12 C ATOM 755 CD ARG A 48 -15.904 2.118 0.892 1.00 71.24 C ATOM 756 NE ARG A 48 -17.230 2.750 0.761 1.00 22.15 N ATOM 757 CZ ARG A 48 -18.409 2.116 0.871 1.00 0.30 C ATOM 758 NH1 ARG A 48 -18.468 0.807 1.120 1.00 30.11 N ATOM 759 NH2 ARG A 48 -19.530 2.803 0.707 1.00 14.44 N ATOM 0 H ARG A 48 -12.192 3.684 1.814 1.00 70.34 H new ATOM 0 HA ARG A 48 -13.521 5.516 0.090 1.00 63.41 H new ATOM 0 HB2 ARG A 48 -14.451 3.874 2.493 1.00 61.43 H new ATOM 0 HB3 ARG A 48 -15.542 4.827 1.506 1.00 61.43 H new ATOM 0 HG2 ARG A 48 -14.937 3.466 -0.491 1.00 61.12 H new ATOM 0 HG3 ARG A 48 -13.823 2.524 0.480 1.00 61.12 H new ATOM 0 HD2 ARG A 48 -15.860 1.235 0.255 1.00 71.24 H new ATOM 0 HD3 ARG A 48 -15.765 1.778 1.918 1.00 71.24 H new ATOM 0 HE ARG A 48 -17.254 3.752 0.571 1.00 22.15 H new ATOM 0 HH11 ARG A 48 -17.608 0.270 1.230 1.00 30.11 H new ATOM 0 HH12 ARG A 48 -19.373 0.343 1.200 1.00 30.11 H new ATOM 0 HH21 ARG A 48 -19.491 3.801 0.500 1.00 14.44 H new ATOM 0 HH22 ARG A 48 -20.432 2.334 0.788 1.00 14.44 H new ATOM 773 N GLU A 49 -12.880 6.536 3.146 1.00 1.33 N ATOM 774 CA GLU A 49 -12.872 7.717 4.035 1.00 44.13 C ATOM 775 C GLU A 49 -12.016 8.850 3.442 1.00 4.21 C ATOM 776 O GLU A 49 -12.309 10.032 3.651 1.00 51.34 O ATOM 777 CB GLU A 49 -12.384 7.321 5.449 1.00 40.31 C ATOM 778 CG GLU A 49 -13.253 6.244 6.134 1.00 34.32 C ATOM 779 CD GLU A 49 -14.754 6.590 6.163 1.00 71.23 C ATOM 780 OE1 GLU A 49 -15.156 7.498 6.934 1.00 14.02 O ATOM 781 OE2 GLU A 49 -15.546 5.969 5.412 1.00 23.24 O ATOM 0 H GLU A 49 -12.331 5.750 3.494 1.00 1.33 H new ATOM 0 HA GLU A 49 -13.892 8.092 4.121 1.00 44.13 H new ATOM 0 HB2 GLU A 49 -11.359 6.956 5.380 1.00 40.31 H new ATOM 0 HB3 GLU A 49 -12.364 8.211 6.078 1.00 40.31 H new ATOM 0 HG2 GLU A 49 -13.117 5.295 5.615 1.00 34.32 H new ATOM 0 HG3 GLU A 49 -12.902 6.101 7.156 1.00 34.32 H new ATOM 788 N LEU A 50 -10.964 8.470 2.700 1.00 32.20 N ATOM 789 CA LEU A 50 -10.122 9.421 1.945 1.00 22.35 C ATOM 790 C LEU A 50 -10.864 9.930 0.686 1.00 1.34 C ATOM 791 O LEU A 50 -10.661 11.074 0.262 1.00 71.02 O ATOM 792 CB LEU A 50 -8.774 8.756 1.555 1.00 21.55 C ATOM 793 CG LEU A 50 -7.889 8.259 2.746 1.00 70.03 C ATOM 794 CD1 LEU A 50 -6.569 7.644 2.234 1.00 21.50 C ATOM 795 CD2 LEU A 50 -7.621 9.386 3.777 1.00 3.54 C ATOM 0 H LEU A 50 -10.671 7.498 2.604 1.00 32.20 H new ATOM 0 HA LEU A 50 -9.913 10.279 2.584 1.00 22.35 H new ATOM 0 HB2 LEU A 50 -8.984 7.907 0.905 1.00 21.55 H new ATOM 0 HB3 LEU A 50 -8.194 9.470 0.970 1.00 21.55 H new ATOM 0 HG LEU A 50 -8.448 7.479 3.263 1.00 70.03 H new ATOM 0 HD11 LEU A 50 -5.972 7.306 3.081 1.00 21.50 H new ATOM 0 HD12 LEU A 50 -6.790 6.796 1.585 1.00 21.50 H new ATOM 0 HD13 LEU A 50 -6.011 8.394 1.673 1.00 21.50 H new ATOM 0 HD21 LEU A 50 -7.003 8.999 4.587 1.00 3.54 H new ATOM 0 HD22 LEU A 50 -7.103 10.211 3.288 1.00 3.54 H new ATOM 0 HD23 LEU A 50 -8.569 9.742 4.182 1.00 3.54 H new ATOM 807 N GLN A 51 -11.718 9.056 0.107 1.00 11.23 N ATOM 808 CA GLN A 51 -12.595 9.407 -1.036 1.00 54.13 C ATOM 809 C GLN A 51 -13.714 10.371 -0.579 1.00 70.35 C ATOM 810 O GLN A 51 -14.101 11.286 -1.313 1.00 23.33 O ATOM 811 CB GLN A 51 -13.214 8.126 -1.667 1.00 21.13 C ATOM 812 CG GLN A 51 -14.132 8.400 -2.883 1.00 61.41 C ATOM 813 CD GLN A 51 -14.823 7.158 -3.451 1.00 72.22 C ATOM 814 OE1 GLN A 51 -15.099 6.200 -2.736 1.00 62.35 O ATOM 815 NE2 GLN A 51 -15.137 7.176 -4.731 1.00 74.01 N ATOM 0 H GLN A 51 -11.819 8.090 0.417 1.00 11.23 H new ATOM 0 HA GLN A 51 -11.989 9.906 -1.792 1.00 54.13 H new ATOM 0 HB2 GLN A 51 -12.408 7.461 -1.977 1.00 21.13 H new ATOM 0 HB3 GLN A 51 -13.787 7.599 -0.904 1.00 21.13 H new ATOM 0 HG2 GLN A 51 -14.894 9.122 -2.591 1.00 61.41 H new ATOM 0 HG3 GLN A 51 -13.540 8.863 -3.672 1.00 61.41 H new ATOM 0 HE21 GLN A 51 -14.896 7.985 -5.304 1.00 74.01 H new ATOM 0 HE22 GLN A 51 -15.621 6.381 -5.149 1.00 74.01 H new ATOM 824 N LYS A 52 -14.214 10.142 0.652 1.00 53.30 N ATOM 825 CA LYS A 52 -15.238 10.992 1.302 1.00 51.12 C ATOM 826 C LYS A 52 -14.699 12.426 1.466 1.00 34.44 C ATOM 827 O LYS A 52 -15.427 13.409 1.292 1.00 34.02 O ATOM 828 CB LYS A 52 -15.612 10.387 2.694 1.00 52.24 C ATOM 829 CG LYS A 52 -16.612 11.219 3.538 1.00 64.33 C ATOM 830 CD LYS A 52 -16.887 10.632 4.962 1.00 62.10 C ATOM 831 CE LYS A 52 -17.820 9.399 4.980 1.00 43.15 C ATOM 832 NZ LYS A 52 -17.206 8.168 4.401 1.00 65.14 N ATOM 0 H LYS A 52 -13.917 9.356 1.230 1.00 53.30 H new ATOM 0 HA LYS A 52 -16.132 11.026 0.680 1.00 51.12 H new ATOM 0 HB2 LYS A 52 -16.034 9.394 2.537 1.00 52.24 H new ATOM 0 HB3 LYS A 52 -14.697 10.257 3.272 1.00 52.24 H new ATOM 0 HG2 LYS A 52 -16.227 12.233 3.643 1.00 64.33 H new ATOM 0 HG3 LYS A 52 -17.556 11.291 2.997 1.00 64.33 H new ATOM 0 HD2 LYS A 52 -15.936 10.358 5.418 1.00 62.10 H new ATOM 0 HD3 LYS A 52 -17.326 11.412 5.584 1.00 62.10 H new ATOM 0 HE2 LYS A 52 -18.117 9.196 6.009 1.00 43.15 H new ATOM 0 HE3 LYS A 52 -18.729 9.635 4.426 1.00 43.15 H new ATOM 0 HZ1 LYS A 52 -17.419 7.354 5.011 1.00 65.14 H new ATOM 0 HZ2 LYS A 52 -17.595 8.000 3.451 1.00 65.14 H new ATOM 0 HZ3 LYS A 52 -16.175 8.291 4.336 1.00 65.14 H new ATOM 846 N GLN A 53 -13.401 12.510 1.789 1.00 63.20 N ATOM 847 CA GLN A 53 -12.672 13.775 1.947 1.00 40.34 C ATOM 848 C GLN A 53 -12.053 14.209 0.606 1.00 54.22 C ATOM 849 O GLN A 53 -12.161 13.502 -0.397 1.00 22.43 O ATOM 850 CB GLN A 53 -11.575 13.591 3.018 1.00 14.40 C ATOM 851 CG GLN A 53 -12.116 13.175 4.393 1.00 75.21 C ATOM 852 CD GLN A 53 -11.010 12.931 5.415 1.00 43.44 C ATOM 853 OE1 GLN A 53 -10.606 13.844 6.136 1.00 60.34 O ATOM 854 NE2 GLN A 53 -10.486 11.716 5.464 1.00 10.14 N ATOM 0 H GLN A 53 -12.819 11.688 1.950 1.00 63.20 H new ATOM 0 HA GLN A 53 -13.361 14.557 2.266 1.00 40.34 H new ATOM 0 HB2 GLN A 53 -10.867 12.838 2.673 1.00 14.40 H new ATOM 0 HB3 GLN A 53 -11.022 14.524 3.123 1.00 14.40 H new ATOM 0 HG2 GLN A 53 -12.784 13.952 4.766 1.00 75.21 H new ATOM 0 HG3 GLN A 53 -12.711 12.268 4.285 1.00 75.21 H new ATOM 0 HE21 GLN A 53 -10.843 10.981 4.853 1.00 10.14 H new ATOM 0 HE22 GLN A 53 -9.725 11.515 6.113 1.00 10.14 H new ATOM 863 N GLY A 54 -11.415 15.392 0.608 1.00 75.03 N ATOM 864 CA GLY A 54 -10.681 15.912 -0.547 1.00 55.24 C ATOM 865 C GLY A 54 -9.176 15.787 -0.354 1.00 45.40 C ATOM 866 O GLY A 54 -8.407 16.636 -0.829 1.00 40.11 O ATOM 0 H GLY A 54 -11.397 16.013 1.417 1.00 75.03 H new ATOM 0 HA2 GLY A 54 -10.980 15.370 -1.444 1.00 55.24 H new ATOM 0 HA3 GLY A 54 -10.943 16.958 -0.705 1.00 55.24 H new ATOM 870 N ILE A 55 -8.757 14.718 0.353 1.00 52.45 N ATOM 871 CA ILE A 55 -7.338 14.441 0.605 1.00 72.40 C ATOM 872 C ILE A 55 -6.716 13.835 -0.658 1.00 22.33 C ATOM 873 O ILE A 55 -6.928 12.654 -0.966 1.00 42.11 O ATOM 874 CB ILE A 55 -7.106 13.480 1.833 1.00 54.20 C ATOM 875 CG1 ILE A 55 -7.757 14.073 3.126 1.00 14.32 C ATOM 876 CG2 ILE A 55 -5.584 13.221 2.040 1.00 14.54 C ATOM 877 CD1 ILE A 55 -7.548 13.248 4.383 1.00 65.54 C ATOM 0 H ILE A 55 -9.391 14.031 0.760 1.00 52.45 H new ATOM 0 HA ILE A 55 -6.858 15.387 0.856 1.00 72.40 H new ATOM 0 HB ILE A 55 -7.587 12.524 1.623 1.00 54.20 H new ATOM 0 HG12 ILE A 55 -7.353 15.072 3.293 1.00 14.32 H new ATOM 0 HG13 ILE A 55 -8.828 14.186 2.957 1.00 14.32 H new ATOM 0 HG21 ILE A 55 -5.441 12.556 2.892 1.00 14.54 H new ATOM 0 HG22 ILE A 55 -5.168 12.759 1.145 1.00 14.54 H new ATOM 0 HG23 ILE A 55 -5.076 14.167 2.229 1.00 14.54 H new ATOM 0 HD11 ILE A 55 -8.035 13.739 5.226 1.00 65.54 H new ATOM 0 HD12 ILE A 55 -7.978 12.256 4.243 1.00 65.54 H new ATOM 0 HD13 ILE A 55 -6.481 13.156 4.584 1.00 65.54 H new ATOM 889 N HIS A 56 -5.992 14.676 -1.400 1.00 24.42 N ATOM 890 CA HIS A 56 -5.299 14.271 -2.633 1.00 12.45 C ATOM 891 C HIS A 56 -3.854 13.899 -2.284 1.00 22.35 C ATOM 892 O HIS A 56 -3.314 14.405 -1.305 1.00 11.30 O ATOM 893 CB HIS A 56 -5.329 15.426 -3.672 1.00 31.05 C ATOM 894 CG HIS A 56 -6.689 16.045 -3.877 1.00 40.53 C ATOM 895 ND1 HIS A 56 -6.882 17.403 -4.035 1.00 54.53 N ATOM 896 CD2 HIS A 56 -7.926 15.487 -3.935 1.00 4.13 C ATOM 897 CE1 HIS A 56 -8.168 17.646 -4.189 1.00 33.11 C ATOM 898 NE2 HIS A 56 -8.826 16.505 -4.133 1.00 51.10 N ATOM 0 H HIS A 56 -5.867 15.661 -1.165 1.00 24.42 H new ATOM 0 HA HIS A 56 -5.801 13.410 -3.074 1.00 12.45 H new ATOM 0 HB2 HIS A 56 -4.634 16.203 -3.353 1.00 31.05 H new ATOM 0 HB3 HIS A 56 -4.968 15.048 -4.628 1.00 31.05 H new ATOM 0 HD2 HIS A 56 -8.159 14.436 -3.842 1.00 4.13 H new ATOM 0 HE1 HIS A 56 -8.610 18.620 -4.337 1.00 33.11 H new ATOM 0 HE2 HIS A 56 -9.836 16.396 -4.222 1.00 51.10 H new ATOM 907 N PHE A 57 -3.261 13.003 -3.071 1.00 63.32 N ATOM 908 CA PHE A 57 -1.846 12.612 -2.939 1.00 21.24 C ATOM 909 C PHE A 57 -1.290 12.271 -4.327 1.00 4.31 C ATOM 910 O PHE A 57 -2.061 12.016 -5.260 1.00 35.12 O ATOM 911 CB PHE A 57 -1.687 11.410 -1.957 1.00 22.01 C ATOM 912 CG PHE A 57 -2.532 10.178 -2.310 1.00 62.44 C ATOM 913 CD1 PHE A 57 -2.051 9.203 -3.184 1.00 65.34 C ATOM 914 CD2 PHE A 57 -3.810 10.014 -1.777 1.00 34.34 C ATOM 915 CE1 PHE A 57 -2.820 8.105 -3.517 1.00 5.11 C ATOM 916 CE2 PHE A 57 -4.574 8.913 -2.110 1.00 51.01 C ATOM 917 CZ PHE A 57 -4.078 7.961 -2.979 1.00 2.53 C ATOM 0 H PHE A 57 -3.747 12.520 -3.826 1.00 63.32 H new ATOM 0 HA PHE A 57 -1.279 13.444 -2.521 1.00 21.24 H new ATOM 0 HB2 PHE A 57 -0.637 11.118 -1.929 1.00 22.01 H new ATOM 0 HB3 PHE A 57 -1.953 11.741 -0.953 1.00 22.01 H new ATOM 0 HD1 PHE A 57 -1.063 9.308 -3.607 1.00 65.34 H new ATOM 0 HD2 PHE A 57 -4.206 10.755 -1.098 1.00 34.34 H new ATOM 0 HE1 PHE A 57 -2.434 7.361 -4.198 1.00 5.11 H new ATOM 0 HE2 PHE A 57 -5.562 8.796 -1.690 1.00 51.01 H new ATOM 0 HZ PHE A 57 -4.679 7.102 -3.237 1.00 2.53 H new ATOM 927 N GLU A 58 0.038 12.262 -4.457 1.00 14.02 N ATOM 928 CA GLU A 58 0.713 11.856 -5.703 1.00 33.43 C ATOM 929 C GLU A 58 1.966 11.046 -5.371 1.00 2.14 C ATOM 930 O GLU A 58 2.719 11.413 -4.474 1.00 44.04 O ATOM 931 CB GLU A 58 1.080 13.094 -6.566 1.00 53.13 C ATOM 932 CG GLU A 58 1.852 12.784 -7.874 1.00 73.32 C ATOM 933 CD GLU A 58 1.061 11.918 -8.883 1.00 33.10 C ATOM 934 OE1 GLU A 58 1.108 10.668 -8.795 1.00 1.00 O ATOM 935 OE2 GLU A 58 0.390 12.482 -9.775 1.00 1.34 O ATOM 0 H GLU A 58 0.677 12.533 -3.710 1.00 14.02 H new ATOM 0 HA GLU A 58 0.029 11.236 -6.282 1.00 33.43 H new ATOM 0 HB2 GLU A 58 0.162 13.623 -6.822 1.00 53.13 H new ATOM 0 HB3 GLU A 58 1.681 13.773 -5.961 1.00 53.13 H new ATOM 0 HG2 GLU A 58 2.125 13.724 -8.354 1.00 73.32 H new ATOM 0 HG3 GLU A 58 2.781 12.273 -7.623 1.00 73.32 H new ATOM 942 N VAL A 59 2.171 9.946 -6.109 1.00 51.44 N ATOM 943 CA VAL A 59 3.374 9.115 -5.995 1.00 44.12 C ATOM 944 C VAL A 59 4.592 9.898 -6.540 1.00 22.22 C ATOM 945 O VAL A 59 4.592 10.345 -7.689 1.00 51.14 O ATOM 946 CB VAL A 59 3.198 7.756 -6.768 1.00 34.35 C ATOM 947 CG1 VAL A 59 4.467 6.883 -6.654 1.00 51.44 C ATOM 948 CG2 VAL A 59 1.940 6.991 -6.277 1.00 63.14 C ATOM 0 H VAL A 59 1.504 9.608 -6.803 1.00 51.44 H new ATOM 0 HA VAL A 59 3.539 8.877 -4.944 1.00 44.12 H new ATOM 0 HB VAL A 59 3.051 7.989 -7.823 1.00 34.35 H new ATOM 0 HG11 VAL A 59 4.317 5.950 -7.197 1.00 51.44 H new ATOM 0 HG12 VAL A 59 5.316 7.418 -7.079 1.00 51.44 H new ATOM 0 HG13 VAL A 59 4.665 6.664 -5.605 1.00 51.44 H new ATOM 0 HG21 VAL A 59 1.844 6.056 -6.829 1.00 63.14 H new ATOM 0 HG22 VAL A 59 2.037 6.776 -5.213 1.00 63.14 H new ATOM 0 HG23 VAL A 59 1.054 7.603 -6.444 1.00 63.14 H new ATOM 958 N LYS A 60 5.604 10.074 -5.681 1.00 34.11 N ATOM 959 CA LYS A 60 6.810 10.882 -5.966 1.00 12.12 C ATOM 960 C LYS A 60 8.043 9.974 -6.072 1.00 1.42 C ATOM 961 O LYS A 60 8.864 10.116 -6.984 1.00 31.31 O ATOM 962 CB LYS A 60 7.013 11.914 -4.827 1.00 40.13 C ATOM 963 CG LYS A 60 5.800 12.825 -4.572 1.00 1.01 C ATOM 964 CD LYS A 60 5.517 13.815 -5.726 1.00 34.33 C ATOM 965 CE LYS A 60 6.608 14.889 -5.861 1.00 4.24 C ATOM 966 NZ LYS A 60 6.224 15.964 -6.819 1.00 54.22 N ATOM 0 H LYS A 60 5.614 9.654 -4.751 1.00 34.11 H new ATOM 0 HA LYS A 60 6.679 11.403 -6.914 1.00 12.12 H new ATOM 0 HB2 LYS A 60 7.251 11.380 -3.907 1.00 40.13 H new ATOM 0 HB3 LYS A 60 7.875 12.536 -5.066 1.00 40.13 H new ATOM 0 HG2 LYS A 60 4.918 12.205 -4.411 1.00 1.01 H new ATOM 0 HG3 LYS A 60 5.966 13.388 -3.653 1.00 1.01 H new ATOM 0 HD2 LYS A 60 5.437 13.263 -6.663 1.00 34.33 H new ATOM 0 HD3 LYS A 60 4.555 14.298 -5.558 1.00 34.33 H new ATOM 0 HE2 LYS A 60 6.805 15.329 -4.883 1.00 4.24 H new ATOM 0 HE3 LYS A 60 7.535 14.423 -6.193 1.00 4.24 H new ATOM 0 HZ1 LYS A 60 7.076 16.476 -7.126 1.00 54.22 H new ATOM 0 HZ2 LYS A 60 5.757 15.541 -7.647 1.00 54.22 H new ATOM 0 HZ3 LYS A 60 5.571 16.626 -6.354 1.00 54.22 H new ATOM 980 N ARG A 61 8.142 9.036 -5.119 1.00 14.15 N ATOM 981 CA ARG A 61 9.260 8.088 -5.011 1.00 65.54 C ATOM 982 C ARG A 61 8.715 6.709 -4.608 1.00 11.12 C ATOM 983 O ARG A 61 7.847 6.632 -3.748 1.00 70.11 O ATOM 984 CB ARG A 61 10.282 8.619 -3.958 1.00 64.13 C ATOM 985 CG ARG A 61 11.505 7.715 -3.686 1.00 75.54 C ATOM 986 CD ARG A 61 12.327 7.425 -4.955 1.00 42.31 C ATOM 987 NE ARG A 61 12.805 8.659 -5.599 1.00 21.04 N ATOM 988 CZ ARG A 61 13.089 8.802 -6.908 1.00 70.34 C ATOM 989 NH1 ARG A 61 12.943 7.781 -7.751 1.00 30.11 N ATOM 990 NH2 ARG A 61 13.495 9.979 -7.357 1.00 13.10 N ATOM 0 H ARG A 61 7.438 8.913 -4.391 1.00 14.15 H new ATOM 0 HA ARG A 61 9.771 7.991 -5.969 1.00 65.54 H new ATOM 0 HB2 ARG A 61 10.642 9.593 -4.289 1.00 64.13 H new ATOM 0 HB3 ARG A 61 9.755 8.777 -3.017 1.00 64.13 H new ATOM 0 HG2 ARG A 61 12.146 8.192 -2.945 1.00 75.54 H new ATOM 0 HG3 ARG A 61 11.166 6.773 -3.255 1.00 75.54 H new ATOM 0 HD2 ARG A 61 13.180 6.797 -4.698 1.00 42.31 H new ATOM 0 HD3 ARG A 61 11.717 6.861 -5.661 1.00 42.31 H new ATOM 0 HE ARG A 61 12.932 9.477 -5.003 1.00 21.04 H new ATOM 0 HH11 ARG A 61 12.613 6.879 -7.407 1.00 30.11 H new ATOM 0 HH12 ARG A 61 13.161 7.901 -8.740 1.00 30.11 H new ATOM 0 HH21 ARG A 61 13.590 10.765 -6.714 1.00 13.10 H new ATOM 0 HH22 ARG A 61 13.713 10.100 -8.346 1.00 13.10 H new ATOM 1004 N VAL A 62 9.193 5.633 -5.271 1.00 61.45 N ATOM 1005 CA VAL A 62 8.915 4.233 -4.866 1.00 55.41 C ATOM 1006 C VAL A 62 10.256 3.505 -4.724 1.00 2.11 C ATOM 1007 O VAL A 62 10.991 3.368 -5.704 1.00 41.31 O ATOM 1008 CB VAL A 62 8.003 3.448 -5.898 1.00 54.42 C ATOM 1009 CG1 VAL A 62 7.727 1.991 -5.426 1.00 33.14 C ATOM 1010 CG2 VAL A 62 6.677 4.191 -6.162 1.00 23.51 C ATOM 0 H VAL A 62 9.782 5.708 -6.101 1.00 61.45 H new ATOM 0 HA VAL A 62 8.364 4.263 -3.926 1.00 55.41 H new ATOM 0 HB VAL A 62 8.556 3.399 -6.836 1.00 54.42 H new ATOM 0 HG11 VAL A 62 7.099 1.484 -6.158 1.00 33.14 H new ATOM 0 HG12 VAL A 62 8.671 1.456 -5.326 1.00 33.14 H new ATOM 0 HG13 VAL A 62 7.217 2.011 -4.463 1.00 33.14 H new ATOM 0 HG21 VAL A 62 6.078 3.624 -6.874 1.00 23.51 H new ATOM 0 HG22 VAL A 62 6.127 4.296 -5.227 1.00 23.51 H new ATOM 0 HG23 VAL A 62 6.889 5.179 -6.572 1.00 23.51 H new ATOM 1020 N GLU A 63 10.586 3.081 -3.501 1.00 61.14 N ATOM 1021 CA GLU A 63 11.802 2.310 -3.209 1.00 71.30 C ATOM 1022 C GLU A 63 11.407 1.053 -2.435 1.00 42.22 C ATOM 1023 O GLU A 63 10.653 1.137 -1.474 1.00 34.42 O ATOM 1024 CB GLU A 63 12.798 3.159 -2.379 1.00 0.54 C ATOM 1025 CG GLU A 63 13.352 4.390 -3.116 1.00 10.43 C ATOM 1026 CD GLU A 63 14.268 5.257 -2.241 1.00 34.51 C ATOM 1027 OE1 GLU A 63 15.503 5.066 -2.281 1.00 31.53 O ATOM 1028 OE2 GLU A 63 13.756 6.132 -1.507 1.00 62.34 O ATOM 0 H GLU A 63 10.013 3.264 -2.677 1.00 61.14 H new ATOM 0 HA GLU A 63 12.293 2.033 -4.142 1.00 71.30 H new ATOM 0 HB2 GLU A 63 12.302 3.490 -1.467 1.00 0.54 H new ATOM 0 HB3 GLU A 63 13.632 2.526 -2.077 1.00 0.54 H new ATOM 0 HG2 GLU A 63 13.906 4.060 -3.995 1.00 10.43 H new ATOM 0 HG3 GLU A 63 12.520 4.997 -3.472 1.00 10.43 H new ATOM 1035 N VAL A 64 11.924 -0.107 -2.865 1.00 72.21 N ATOM 1036 CA VAL A 64 11.613 -1.397 -2.240 1.00 1.53 C ATOM 1037 C VAL A 64 12.921 -2.029 -1.722 1.00 0.24 C ATOM 1038 O VAL A 64 13.808 -2.402 -2.496 1.00 44.12 O ATOM 1039 CB VAL A 64 10.836 -2.339 -3.256 1.00 30.00 C ATOM 1040 CG1 VAL A 64 11.608 -2.581 -4.578 1.00 44.12 C ATOM 1041 CG2 VAL A 64 10.428 -3.671 -2.591 1.00 62.22 C ATOM 0 H VAL A 64 12.567 -0.176 -3.654 1.00 72.21 H new ATOM 0 HA VAL A 64 10.947 -1.253 -1.389 1.00 1.53 H new ATOM 0 HB VAL A 64 9.927 -1.803 -3.529 1.00 30.00 H new ATOM 0 HG11 VAL A 64 11.023 -3.232 -5.227 1.00 44.12 H new ATOM 0 HG12 VAL A 64 11.779 -1.628 -5.079 1.00 44.12 H new ATOM 0 HG13 VAL A 64 12.566 -3.053 -4.359 1.00 44.12 H new ATOM 0 HG21 VAL A 64 9.899 -4.291 -3.314 1.00 62.22 H new ATOM 0 HG22 VAL A 64 11.320 -4.195 -2.248 1.00 62.22 H new ATOM 0 HG23 VAL A 64 9.777 -3.469 -1.741 1.00 62.22 H new ATOM 1051 N THR A 65 13.060 -2.071 -0.387 1.00 1.41 N ATOM 1052 CA THR A 65 14.227 -2.659 0.291 1.00 14.04 C ATOM 1053 C THR A 65 13.795 -3.942 1.009 1.00 54.12 C ATOM 1054 O THR A 65 12.595 -4.186 1.198 1.00 11.50 O ATOM 1055 CB THR A 65 14.863 -1.663 1.329 1.00 14.21 C ATOM 1056 OG1 THR A 65 13.928 -1.359 2.376 1.00 44.22 O ATOM 1057 CG2 THR A 65 15.318 -0.347 0.665 1.00 3.24 C ATOM 0 H THR A 65 12.362 -1.696 0.256 1.00 1.41 H new ATOM 0 HA THR A 65 14.983 -2.879 -0.463 1.00 14.04 H new ATOM 0 HB THR A 65 15.739 -2.160 1.745 1.00 14.21 H new ATOM 0 HG1 THR A 65 13.039 -1.214 1.989 1.00 44.22 H new ATOM 0 HG21 THR A 65 15.751 0.310 1.419 1.00 3.24 H new ATOM 0 HG22 THR A 65 16.065 -0.564 -0.099 1.00 3.24 H new ATOM 0 HG23 THR A 65 14.460 0.144 0.205 1.00 3.24 H new ATOM 1065 N THR A 66 14.771 -4.772 1.396 1.00 54.20 N ATOM 1066 CA THR A 66 14.516 -5.985 2.187 1.00 13.33 C ATOM 1067 C THR A 66 15.271 -5.912 3.524 1.00 51.52 C ATOM 1068 O THR A 66 16.393 -5.396 3.600 1.00 62.12 O ATOM 1069 CB THR A 66 14.905 -7.287 1.405 1.00 13.32 C ATOM 1070 OG1 THR A 66 16.249 -7.188 0.907 1.00 44.02 O ATOM 1071 CG2 THR A 66 13.948 -7.548 0.228 1.00 74.10 C ATOM 0 H THR A 66 15.755 -4.624 1.172 1.00 54.20 H new ATOM 0 HA THR A 66 13.445 -6.034 2.383 1.00 13.33 H new ATOM 0 HB THR A 66 14.830 -8.120 2.104 1.00 13.32 H new ATOM 0 HG1 THR A 66 16.480 -8.008 0.422 1.00 44.02 H new ATOM 0 HG21 THR A 66 14.249 -8.458 -0.290 1.00 74.10 H new ATOM 0 HG22 THR A 66 12.932 -7.664 0.604 1.00 74.10 H new ATOM 0 HG23 THR A 66 13.985 -6.707 -0.464 1.00 74.10 H new ATOM 1079 N ASP A 67 14.623 -6.431 4.568 1.00 52.45 N ATOM 1080 CA ASP A 67 15.124 -6.441 5.948 1.00 53.42 C ATOM 1081 C ASP A 67 14.751 -7.803 6.546 1.00 14.02 C ATOM 1082 O ASP A 67 13.640 -8.003 7.056 1.00 14.10 O ATOM 1083 CB ASP A 67 14.510 -5.236 6.724 1.00 4.35 C ATOM 1084 CG ASP A 67 14.627 -5.312 8.257 1.00 3.21 C ATOM 1085 OD1 ASP A 67 13.581 -5.194 8.941 1.00 34.02 O ATOM 1086 OD2 ASP A 67 15.749 -5.495 8.790 1.00 45.41 O ATOM 0 H ASP A 67 13.707 -6.870 4.476 1.00 52.45 H new ATOM 0 HA ASP A 67 16.206 -6.321 6.006 1.00 53.42 H new ATOM 0 HB2 ASP A 67 14.995 -4.321 6.384 1.00 4.35 H new ATOM 0 HB3 ASP A 67 13.456 -5.155 6.460 1.00 4.35 H new ATOM 1091 N GLY A 68 15.688 -8.749 6.404 1.00 45.31 N ATOM 1092 CA GLY A 68 15.403 -10.165 6.597 1.00 23.30 C ATOM 1093 C GLY A 68 14.553 -10.684 5.443 1.00 62.12 C ATOM 1094 O GLY A 68 14.932 -10.536 4.273 1.00 72.33 O ATOM 0 H GLY A 68 16.657 -8.550 6.154 1.00 45.31 H new ATOM 0 HA2 GLY A 68 16.335 -10.728 6.656 1.00 23.30 H new ATOM 0 HA3 GLY A 68 14.880 -10.314 7.542 1.00 23.30 H new ATOM 1098 N ASN A 69 13.401 -11.279 5.767 1.00 33.14 N ATOM 1099 CA ASN A 69 12.372 -11.654 4.773 1.00 21.00 C ATOM 1100 C ASN A 69 11.267 -10.582 4.700 1.00 30.22 C ATOM 1101 O ASN A 69 10.406 -10.633 3.813 1.00 44.12 O ATOM 1102 CB ASN A 69 11.743 -13.030 5.115 1.00 64.03 C ATOM 1103 CG ASN A 69 12.730 -14.188 4.996 1.00 40.01 C ATOM 1104 OD1 ASN A 69 13.425 -14.530 5.956 1.00 51.34 O ATOM 1105 ND2 ASN A 69 12.809 -14.794 3.815 1.00 24.33 N ATOM 0 H ASN A 69 13.148 -11.518 6.726 1.00 33.14 H new ATOM 0 HA ASN A 69 12.862 -11.725 3.802 1.00 21.00 H new ATOM 0 HB2 ASN A 69 11.349 -13.000 6.131 1.00 64.03 H new ATOM 0 HB3 ASN A 69 10.898 -13.211 4.451 1.00 64.03 H new ATOM 0 HD21 ASN A 69 13.460 -15.568 3.681 1.00 24.33 H new ATOM 0 HD22 ASN A 69 12.219 -14.485 3.043 1.00 24.33 H new ATOM 1112 N THR A 70 11.315 -9.602 5.622 1.00 64.10 N ATOM 1113 CA THR A 70 10.307 -8.548 5.720 1.00 54.53 C ATOM 1114 C THR A 70 10.705 -7.376 4.807 1.00 70.41 C ATOM 1115 O THR A 70 11.778 -6.785 4.966 1.00 72.02 O ATOM 1116 CB THR A 70 10.168 -8.046 7.193 1.00 42.41 C ATOM 1117 OG1 THR A 70 9.883 -9.148 8.058 1.00 52.14 O ATOM 1118 CG2 THR A 70 9.055 -7.011 7.349 1.00 45.53 C ATOM 0 H THR A 70 12.057 -9.525 6.317 1.00 64.10 H new ATOM 0 HA THR A 70 9.346 -8.953 5.404 1.00 54.53 H new ATOM 0 HB THR A 70 11.116 -7.578 7.459 1.00 42.41 H new ATOM 0 HG1 THR A 70 9.799 -8.827 8.980 1.00 52.14 H new ATOM 0 HG21 THR A 70 8.997 -6.693 8.390 1.00 45.53 H new ATOM 0 HG22 THR A 70 9.269 -6.149 6.717 1.00 45.53 H new ATOM 0 HG23 THR A 70 8.104 -7.452 7.051 1.00 45.53 H new ATOM 1126 N VAL A 71 9.820 -7.044 3.863 1.00 3.32 N ATOM 1127 CA VAL A 71 10.060 -6.009 2.851 1.00 41.34 C ATOM 1128 C VAL A 71 9.643 -4.639 3.415 1.00 12.21 C ATOM 1129 O VAL A 71 8.621 -4.526 4.075 1.00 4.22 O ATOM 1130 CB VAL A 71 9.253 -6.330 1.534 1.00 2.23 C ATOM 1131 CG1 VAL A 71 9.469 -5.247 0.453 1.00 32.30 C ATOM 1132 CG2 VAL A 71 9.627 -7.735 0.998 1.00 74.25 C ATOM 0 H VAL A 71 8.907 -7.490 3.778 1.00 3.32 H new ATOM 0 HA VAL A 71 11.121 -5.988 2.603 1.00 41.34 H new ATOM 0 HB VAL A 71 8.192 -6.327 1.784 1.00 2.23 H new ATOM 0 HG11 VAL A 71 8.897 -5.504 -0.439 1.00 32.30 H new ATOM 0 HG12 VAL A 71 9.135 -4.282 0.833 1.00 32.30 H new ATOM 0 HG13 VAL A 71 10.528 -5.191 0.201 1.00 32.30 H new ATOM 0 HG21 VAL A 71 9.061 -7.940 0.089 1.00 74.25 H new ATOM 0 HG22 VAL A 71 10.694 -7.768 0.776 1.00 74.25 H new ATOM 0 HG23 VAL A 71 9.390 -8.487 1.751 1.00 74.25 H new ATOM 1142 N ASN A 72 10.477 -3.620 3.176 1.00 25.22 N ATOM 1143 CA ASN A 72 10.245 -2.239 3.625 1.00 50.45 C ATOM 1144 C ASN A 72 10.173 -1.336 2.385 1.00 14.44 C ATOM 1145 O ASN A 72 11.204 -0.985 1.800 1.00 61.14 O ATOM 1146 CB ASN A 72 11.408 -1.802 4.568 1.00 2.02 C ATOM 1147 CG ASN A 72 11.381 -2.500 5.934 1.00 64.44 C ATOM 1148 OD1 ASN A 72 10.976 -1.913 6.939 1.00 3.31 O ATOM 1149 ND2 ASN A 72 11.763 -3.772 5.974 1.00 40.30 N ATOM 0 H ASN A 72 11.347 -3.732 2.656 1.00 25.22 H new ATOM 0 HA ASN A 72 9.310 -2.162 4.180 1.00 50.45 H new ATOM 0 HB2 ASN A 72 12.360 -2.012 4.080 1.00 2.02 H new ATOM 0 HB3 ASN A 72 11.358 -0.724 4.718 1.00 2.02 H new ATOM 0 HD21 ASN A 72 11.725 -4.288 6.853 1.00 40.30 H new ATOM 0 HD22 ASN A 72 12.094 -4.232 5.126 1.00 40.30 H new ATOM 1156 N VAL A 73 8.945 -0.996 1.962 1.00 20.14 N ATOM 1157 CA VAL A 73 8.722 -0.108 0.810 1.00 24.04 C ATOM 1158 C VAL A 73 8.629 1.343 1.302 1.00 32.44 C ATOM 1159 O VAL A 73 7.618 1.745 1.896 1.00 0.14 O ATOM 1160 CB VAL A 73 7.428 -0.499 -0.013 1.00 4.42 C ATOM 1161 CG1 VAL A 73 7.218 0.451 -1.226 1.00 54.13 C ATOM 1162 CG2 VAL A 73 7.502 -1.977 -0.470 1.00 54.55 C ATOM 0 H VAL A 73 8.087 -1.325 2.404 1.00 20.14 H new ATOM 0 HA VAL A 73 9.568 -0.218 0.131 1.00 24.04 H new ATOM 0 HB VAL A 73 6.565 -0.385 0.643 1.00 4.42 H new ATOM 0 HG11 VAL A 73 6.321 0.154 -1.769 1.00 54.13 H new ATOM 0 HG12 VAL A 73 7.105 1.475 -0.871 1.00 54.13 H new ATOM 0 HG13 VAL A 73 8.081 0.390 -1.889 1.00 54.13 H new ATOM 0 HG21 VAL A 73 6.604 -2.229 -1.034 1.00 54.55 H new ATOM 0 HG22 VAL A 73 8.379 -2.119 -1.101 1.00 54.55 H new ATOM 0 HG23 VAL A 73 7.575 -2.625 0.404 1.00 54.55 H new ATOM 1172 N THR A 74 9.700 2.113 1.068 1.00 75.52 N ATOM 1173 CA THR A 74 9.722 3.551 1.330 1.00 51.24 C ATOM 1174 C THR A 74 9.180 4.269 0.079 1.00 5.52 C ATOM 1175 O THR A 74 9.872 4.379 -0.937 1.00 0.20 O ATOM 1176 CB THR A 74 11.177 4.043 1.658 1.00 3.30 C ATOM 1177 OG1 THR A 74 11.785 3.166 2.620 1.00 71.31 O ATOM 1178 CG2 THR A 74 11.188 5.485 2.207 1.00 20.22 C ATOM 0 H THR A 74 10.576 1.751 0.691 1.00 75.52 H new ATOM 0 HA THR A 74 9.102 3.778 2.197 1.00 51.24 H new ATOM 0 HB THR A 74 11.743 4.031 0.727 1.00 3.30 H new ATOM 0 HG1 THR A 74 12.693 3.477 2.819 1.00 71.31 H new ATOM 0 HG21 THR A 74 12.214 5.785 2.421 1.00 20.22 H new ATOM 0 HG22 THR A 74 10.759 6.160 1.466 1.00 20.22 H new ATOM 0 HG23 THR A 74 10.599 5.530 3.123 1.00 20.22 H new ATOM 1186 N VAL A 75 7.933 4.723 0.160 1.00 32.14 N ATOM 1187 CA VAL A 75 7.225 5.374 -0.946 1.00 35.45 C ATOM 1188 C VAL A 75 6.749 6.765 -0.492 1.00 22.32 C ATOM 1189 O VAL A 75 5.958 6.890 0.436 1.00 53.22 O ATOM 1190 CB VAL A 75 6.037 4.467 -1.462 1.00 20.54 C ATOM 1191 CG1 VAL A 75 5.151 3.958 -0.302 1.00 50.32 C ATOM 1192 CG2 VAL A 75 5.202 5.178 -2.564 1.00 51.14 C ATOM 0 H VAL A 75 7.373 4.649 1.009 1.00 32.14 H new ATOM 0 HA VAL A 75 7.900 5.507 -1.791 1.00 35.45 H new ATOM 0 HB VAL A 75 6.487 3.588 -1.923 1.00 20.54 H new ATOM 0 HG11 VAL A 75 4.348 3.339 -0.702 1.00 50.32 H new ATOM 0 HG12 VAL A 75 5.756 3.367 0.386 1.00 50.32 H new ATOM 0 HG13 VAL A 75 4.724 4.808 0.229 1.00 50.32 H new ATOM 0 HG21 VAL A 75 4.396 4.521 -2.891 1.00 51.14 H new ATOM 0 HG22 VAL A 75 4.779 6.099 -2.163 1.00 51.14 H new ATOM 0 HG23 VAL A 75 5.845 5.414 -3.412 1.00 51.14 H new ATOM 1202 N GLU A 76 7.297 7.805 -1.129 1.00 32.02 N ATOM 1203 CA GLU A 76 6.969 9.206 -0.839 1.00 74.11 C ATOM 1204 C GLU A 76 5.706 9.610 -1.618 1.00 71.23 C ATOM 1205 O GLU A 76 5.654 9.438 -2.839 1.00 31.02 O ATOM 1206 CB GLU A 76 8.184 10.093 -1.231 1.00 44.40 C ATOM 1207 CG GLU A 76 8.018 11.592 -0.945 1.00 50.33 C ATOM 1208 CD GLU A 76 9.261 12.409 -1.333 1.00 45.42 C ATOM 1209 OE1 GLU A 76 9.284 12.984 -2.441 1.00 73.10 O ATOM 1210 OE2 GLU A 76 10.219 12.471 -0.534 1.00 50.04 O ATOM 0 H GLU A 76 7.990 7.697 -1.870 1.00 32.02 H new ATOM 0 HA GLU A 76 6.765 9.341 0.223 1.00 74.11 H new ATOM 0 HB2 GLU A 76 9.064 9.733 -0.697 1.00 44.40 H new ATOM 0 HB3 GLU A 76 8.381 9.962 -2.295 1.00 44.40 H new ATOM 0 HG2 GLU A 76 7.154 11.969 -1.493 1.00 50.33 H new ATOM 0 HG3 GLU A 76 7.810 11.735 0.115 1.00 50.33 H new ATOM 1217 N LEU A 77 4.677 10.103 -0.901 1.00 43.24 N ATOM 1218 CA LEU A 77 3.437 10.615 -1.508 1.00 21.03 C ATOM 1219 C LEU A 77 3.228 12.076 -1.083 1.00 43.11 C ATOM 1220 O LEU A 77 3.096 12.366 0.108 1.00 24.31 O ATOM 1221 CB LEU A 77 2.177 9.770 -1.133 1.00 54.30 C ATOM 1222 CG LEU A 77 2.202 8.249 -1.525 1.00 33.25 C ATOM 1223 CD1 LEU A 77 2.979 7.406 -0.509 1.00 50.32 C ATOM 1224 CD2 LEU A 77 0.776 7.703 -1.699 1.00 34.44 C ATOM 0 H LEU A 77 4.684 10.157 0.118 1.00 43.24 H new ATOM 0 HA LEU A 77 3.554 10.542 -2.589 1.00 21.03 H new ATOM 0 HB2 LEU A 77 2.029 9.841 -0.055 1.00 54.30 H new ATOM 0 HB3 LEU A 77 1.308 10.228 -1.605 1.00 54.30 H new ATOM 0 HG LEU A 77 2.723 8.174 -2.479 1.00 33.25 H new ATOM 0 HD11 LEU A 77 2.970 6.361 -0.820 1.00 50.32 H new ATOM 0 HD12 LEU A 77 4.009 7.760 -0.454 1.00 50.32 H new ATOM 0 HD13 LEU A 77 2.512 7.496 0.472 1.00 50.32 H new ATOM 0 HD21 LEU A 77 0.821 6.648 -1.970 1.00 34.44 H new ATOM 0 HD22 LEU A 77 0.227 7.814 -0.764 1.00 34.44 H new ATOM 0 HD23 LEU A 77 0.267 8.259 -2.487 1.00 34.44 H new ATOM 1236 N GLU A 78 3.184 12.982 -2.063 1.00 5.51 N ATOM 1237 CA GLU A 78 2.996 14.415 -1.824 1.00 23.02 C ATOM 1238 C GLU A 78 1.491 14.700 -1.781 1.00 63.43 C ATOM 1239 O GLU A 78 0.815 14.724 -2.819 1.00 63.14 O ATOM 1240 CB GLU A 78 3.712 15.216 -2.943 1.00 43.32 C ATOM 1241 CG GLU A 78 3.853 16.726 -2.716 1.00 71.41 C ATOM 1242 CD GLU A 78 4.758 17.380 -3.772 1.00 30.42 C ATOM 1243 OE1 GLU A 78 5.993 17.428 -3.567 1.00 31.21 O ATOM 1244 OE2 GLU A 78 4.254 17.806 -4.835 1.00 35.43 O ATOM 0 H GLU A 78 3.278 12.741 -3.050 1.00 5.51 H new ATOM 0 HA GLU A 78 3.432 14.721 -0.873 1.00 23.02 H new ATOM 0 HB2 GLU A 78 4.709 14.796 -3.079 1.00 43.32 H new ATOM 0 HB3 GLU A 78 3.170 15.060 -3.876 1.00 43.32 H new ATOM 0 HG2 GLU A 78 2.868 17.191 -2.743 1.00 71.41 H new ATOM 0 HG3 GLU A 78 4.264 16.907 -1.723 1.00 71.41 H new ATOM 1251 N GLU A 79 0.980 14.869 -0.556 1.00 1.34 N ATOM 1252 CA GLU A 79 -0.448 14.991 -0.273 1.00 63.11 C ATOM 1253 C GLU A 79 -0.912 16.455 -0.343 1.00 22.44 C ATOM 1254 O GLU A 79 -0.551 17.267 0.512 1.00 63.05 O ATOM 1255 CB GLU A 79 -0.762 14.381 1.120 1.00 44.34 C ATOM 1256 CG GLU A 79 -0.264 12.936 1.314 1.00 72.44 C ATOM 1257 CD GLU A 79 -0.701 12.350 2.662 1.00 0.10 C ATOM 1258 OE1 GLU A 79 -1.754 11.675 2.718 1.00 15.42 O ATOM 1259 OE2 GLU A 79 -0.021 12.601 3.683 1.00 23.33 O ATOM 0 H GLU A 79 1.562 14.925 0.280 1.00 1.34 H new ATOM 0 HA GLU A 79 -0.997 14.439 -1.036 1.00 63.11 H new ATOM 0 HB2 GLU A 79 -0.314 15.012 1.888 1.00 44.34 H new ATOM 0 HB3 GLU A 79 -1.840 14.404 1.278 1.00 44.34 H new ATOM 0 HG2 GLU A 79 -0.645 12.310 0.507 1.00 72.44 H new ATOM 0 HG3 GLU A 79 0.824 12.916 1.246 1.00 72.44 H new ATOM 1266 N THR A 80 -1.711 16.784 -1.370 1.00 55.43 N ATOM 1267 CA THR A 80 -2.366 18.086 -1.476 1.00 51.44 C ATOM 1268 C THR A 80 -3.732 17.978 -0.770 1.00 12.35 C ATOM 1269 O THR A 80 -4.694 17.445 -1.332 1.00 64.44 O ATOM 1270 CB THR A 80 -2.545 18.506 -2.974 1.00 53.01 C ATOM 1271 OG1 THR A 80 -1.278 18.470 -3.647 1.00 31.54 O ATOM 1272 CG2 THR A 80 -3.148 19.911 -3.115 1.00 34.12 C ATOM 0 H THR A 80 -1.917 16.154 -2.145 1.00 55.43 H new ATOM 0 HA THR A 80 -1.754 18.854 -1.004 1.00 51.44 H new ATOM 0 HB THR A 80 -3.236 17.795 -3.427 1.00 53.01 H new ATOM 0 HG1 THR A 80 -1.398 18.732 -4.584 1.00 31.54 H new ATOM 0 HG21 THR A 80 -3.253 20.158 -4.172 1.00 34.12 H new ATOM 0 HG22 THR A 80 -4.128 19.936 -2.638 1.00 34.12 H new ATOM 0 HG23 THR A 80 -2.492 20.638 -2.636 1.00 34.12 H new ATOM 1280 N THR A 81 -3.794 18.468 0.473 1.00 64.32 N ATOM 1281 CA THR A 81 -4.976 18.353 1.326 1.00 33.34 C ATOM 1282 C THR A 81 -5.087 19.581 2.243 1.00 42.12 C ATOM 1283 O THR A 81 -4.070 20.145 2.669 1.00 13.11 O ATOM 1284 CB THR A 81 -4.932 17.023 2.152 1.00 43.42 C ATOM 1285 OG1 THR A 81 -6.105 16.914 2.973 1.00 1.32 O ATOM 1286 CG2 THR A 81 -3.659 16.888 3.019 1.00 61.31 C ATOM 0 H THR A 81 -3.018 18.959 0.916 1.00 64.32 H new ATOM 0 HA THR A 81 -5.865 18.320 0.697 1.00 33.34 H new ATOM 0 HB THR A 81 -4.906 16.206 1.431 1.00 43.42 H new ATOM 0 HG1 THR A 81 -5.859 16.550 3.849 1.00 1.32 H new ATOM 0 HG21 THR A 81 -3.690 15.946 3.566 1.00 61.31 H new ATOM 0 HG22 THR A 81 -2.778 16.907 2.377 1.00 61.31 H new ATOM 0 HG23 THR A 81 -3.611 17.716 3.726 1.00 61.31 H new ATOM 1294 N GLY A 82 -6.338 20.007 2.505 1.00 3.30 N ATOM 1295 CA GLY A 82 -6.616 21.203 3.308 1.00 23.34 C ATOM 1296 C GLY A 82 -6.237 22.508 2.601 1.00 44.22 C ATOM 1297 O GLY A 82 -6.150 23.556 3.244 1.00 53.24 O ATOM 0 H GLY A 82 -7.175 19.533 2.167 1.00 3.30 H new ATOM 0 HA2 GLY A 82 -7.677 21.227 3.556 1.00 23.34 H new ATOM 0 HA3 GLY A 82 -6.070 21.136 4.249 1.00 23.34 H new ATOM 1301 N GLY A 83 -6.022 22.433 1.267 1.00 65.31 N ATOM 1302 CA GLY A 83 -5.619 23.597 0.460 1.00 62.03 C ATOM 1303 C GLY A 83 -4.106 23.811 0.413 1.00 34.12 C ATOM 1304 O GLY A 83 -3.636 24.792 -0.177 1.00 72.20 O ATOM 0 H GLY A 83 -6.123 21.572 0.729 1.00 65.31 H new ATOM 0 HA2 GLY A 83 -5.992 23.471 -0.556 1.00 62.03 H new ATOM 0 HA3 GLY A 83 -6.092 24.492 0.865 1.00 62.03 H new ATOM 1308 N THR A 84 -3.337 22.890 1.028 1.00 21.40 N ATOM 1309 CA THR A 84 -1.861 22.946 1.030 1.00 64.22 C ATOM 1310 C THR A 84 -1.270 21.637 0.479 1.00 14.41 C ATOM 1311 O THR A 84 -1.869 20.571 0.636 1.00 44.33 O ATOM 1312 CB THR A 84 -1.291 23.228 2.466 1.00 44.43 C ATOM 1313 OG1 THR A 84 0.143 23.353 2.411 1.00 4.33 O ATOM 1314 CG2 THR A 84 -1.684 22.135 3.484 1.00 63.04 C ATOM 0 H THR A 84 -3.719 22.091 1.534 1.00 21.40 H new ATOM 0 HA THR A 84 -1.567 23.773 0.383 1.00 64.22 H new ATOM 0 HB THR A 84 -1.733 24.164 2.809 1.00 44.43 H new ATOM 0 HG1 THR A 84 0.491 23.530 3.310 1.00 4.33 H new ATOM 0 HG21 THR A 84 -1.264 22.379 4.460 1.00 63.04 H new ATOM 0 HG22 THR A 84 -2.770 22.081 3.559 1.00 63.04 H new ATOM 0 HG23 THR A 84 -1.295 21.172 3.152 1.00 63.04 H new ATOM 1322 N THR A 85 -0.099 21.723 -0.175 1.00 74.32 N ATOM 1323 CA THR A 85 0.611 20.555 -0.711 1.00 33.35 C ATOM 1324 C THR A 85 1.784 20.207 0.220 1.00 73.34 C ATOM 1325 O THR A 85 2.785 20.920 0.264 1.00 11.21 O ATOM 1326 CB THR A 85 1.105 20.856 -2.162 1.00 51.03 C ATOM 1327 OG1 THR A 85 -0.021 21.225 -2.963 1.00 35.12 O ATOM 1328 CG2 THR A 85 1.808 19.653 -2.810 1.00 5.41 C ATOM 0 H THR A 85 0.380 22.607 -0.346 1.00 74.32 H new ATOM 0 HA THR A 85 -0.060 19.697 -0.758 1.00 33.35 H new ATOM 0 HB THR A 85 1.833 21.665 -2.102 1.00 51.03 H new ATOM 0 HG1 THR A 85 -0.465 20.417 -3.296 1.00 35.12 H new ATOM 0 HG21 THR A 85 2.130 19.919 -3.817 1.00 5.41 H new ATOM 0 HG22 THR A 85 2.676 19.374 -2.213 1.00 5.41 H new ATOM 0 HG23 THR A 85 1.117 18.812 -2.861 1.00 5.41 H new ATOM 1336 N THR A 86 1.614 19.126 0.978 1.00 41.43 N ATOM 1337 CA THR A 86 2.612 18.604 1.917 1.00 11.23 C ATOM 1338 C THR A 86 3.321 17.391 1.292 1.00 63.42 C ATOM 1339 O THR A 86 2.669 16.408 0.954 1.00 21.25 O ATOM 1340 CB THR A 86 1.901 18.178 3.248 1.00 24.11 C ATOM 1341 OG1 THR A 86 1.252 19.322 3.828 1.00 3.23 O ATOM 1342 CG2 THR A 86 2.868 17.566 4.279 1.00 40.43 C ATOM 0 H THR A 86 0.757 18.573 0.958 1.00 41.43 H new ATOM 0 HA THR A 86 3.350 19.376 2.134 1.00 11.23 H new ATOM 0 HB THR A 86 1.176 17.406 2.990 1.00 24.11 H new ATOM 0 HG1 THR A 86 0.805 19.058 4.659 1.00 3.23 H new ATOM 0 HG21 THR A 86 2.316 17.292 5.178 1.00 40.43 H new ATOM 0 HG22 THR A 86 3.337 16.677 3.856 1.00 40.43 H new ATOM 0 HG23 THR A 86 3.637 18.295 4.534 1.00 40.43 H new ATOM 1350 N ASN A 87 4.652 17.474 1.133 1.00 24.32 N ATOM 1351 CA ASN A 87 5.456 16.338 0.655 1.00 42.23 C ATOM 1352 C ASN A 87 5.686 15.366 1.832 1.00 63.24 C ATOM 1353 O ASN A 87 6.470 15.645 2.738 1.00 24.32 O ATOM 1354 CB ASN A 87 6.794 16.832 0.042 1.00 1.03 C ATOM 1355 CG ASN A 87 7.628 15.689 -0.535 1.00 2.30 C ATOM 1356 OD1 ASN A 87 8.496 15.140 0.138 1.00 1.43 O ATOM 1357 ND2 ASN A 87 7.359 15.311 -1.779 1.00 45.11 N ATOM 0 H ASN A 87 5.194 18.316 1.329 1.00 24.32 H new ATOM 0 HA ASN A 87 4.924 15.811 -0.137 1.00 42.23 H new ATOM 0 HB2 ASN A 87 6.584 17.558 -0.744 1.00 1.03 H new ATOM 0 HB3 ASN A 87 7.372 17.349 0.808 1.00 1.03 H new ATOM 0 HD21 ASN A 87 7.880 14.543 -2.203 1.00 45.11 H new ATOM 0 HD22 ASN A 87 6.631 15.788 -2.311 1.00 45.11 H new ATOM 1364 N THR A 88 4.941 14.254 1.814 1.00 61.00 N ATOM 1365 CA THR A 88 4.916 13.256 2.890 1.00 41.43 C ATOM 1366 C THR A 88 5.576 11.949 2.404 1.00 2.32 C ATOM 1367 O THR A 88 5.609 11.681 1.206 1.00 12.53 O ATOM 1368 CB THR A 88 3.425 12.985 3.286 1.00 23.22 C ATOM 1369 OG1 THR A 88 2.795 14.226 3.644 1.00 53.42 O ATOM 1370 CG2 THR A 88 3.282 11.982 4.444 1.00 23.14 C ATOM 0 H THR A 88 4.326 14.018 1.035 1.00 61.00 H new ATOM 0 HA THR A 88 5.467 13.626 3.755 1.00 41.43 H new ATOM 0 HB THR A 88 2.938 12.539 2.419 1.00 23.22 H new ATOM 0 HG1 THR A 88 1.830 14.086 3.746 1.00 53.42 H new ATOM 0 HG21 THR A 88 2.226 11.837 4.671 1.00 23.14 H new ATOM 0 HG22 THR A 88 3.726 11.029 4.157 1.00 23.14 H new ATOM 0 HG23 THR A 88 3.793 12.369 5.326 1.00 23.14 H new ATOM 1378 N THR A 89 6.117 11.154 3.334 1.00 25.01 N ATOM 1379 CA THR A 89 6.617 9.799 3.051 1.00 60.41 C ATOM 1380 C THR A 89 5.746 8.770 3.807 1.00 2.33 C ATOM 1381 O THR A 89 5.171 9.076 4.849 1.00 4.44 O ATOM 1382 CB THR A 89 8.127 9.674 3.456 1.00 31.30 C ATOM 1383 OG1 THR A 89 8.871 10.736 2.834 1.00 1.23 O ATOM 1384 CG2 THR A 89 8.753 8.316 3.049 1.00 34.54 C ATOM 0 H THR A 89 6.222 11.432 4.310 1.00 25.01 H new ATOM 0 HA THR A 89 6.549 9.600 1.982 1.00 60.41 H new ATOM 0 HB THR A 89 8.174 9.740 4.543 1.00 31.30 H new ATOM 0 HG1 THR A 89 9.816 10.664 3.085 1.00 1.23 H new ATOM 0 HG21 THR A 89 9.798 8.291 3.356 1.00 34.54 H new ATOM 0 HG22 THR A 89 8.212 7.505 3.536 1.00 34.54 H new ATOM 0 HG23 THR A 89 8.690 8.196 1.968 1.00 34.54 H new ATOM 1392 N TYR A 90 5.610 7.576 3.223 1.00 35.21 N ATOM 1393 CA TYR A 90 4.923 6.418 3.813 1.00 30.51 C ATOM 1394 C TYR A 90 5.866 5.222 3.719 1.00 43.34 C ATOM 1395 O TYR A 90 6.465 4.981 2.672 1.00 43.23 O ATOM 1396 CB TYR A 90 3.587 6.110 3.073 1.00 61.32 C ATOM 1397 CG TYR A 90 2.426 7.038 3.458 1.00 34.41 C ATOM 1398 CD1 TYR A 90 2.286 8.307 2.893 1.00 72.24 C ATOM 1399 CD2 TYR A 90 1.468 6.637 4.393 1.00 32.33 C ATOM 1400 CE1 TYR A 90 1.242 9.141 3.253 1.00 43.12 C ATOM 1401 CE2 TYR A 90 0.423 7.467 4.751 1.00 4.04 C ATOM 1402 CZ TYR A 90 0.313 8.711 4.181 1.00 35.24 C ATOM 1403 OH TYR A 90 -0.726 9.537 4.552 1.00 43.32 O ATOM 0 H TYR A 90 5.987 7.380 2.296 1.00 35.21 H new ATOM 0 HA TYR A 90 4.671 6.633 4.851 1.00 30.51 H new ATOM 0 HB2 TYR A 90 3.755 6.183 1.998 1.00 61.32 H new ATOM 0 HB3 TYR A 90 3.298 5.080 3.281 1.00 61.32 H new ATOM 0 HD1 TYR A 90 3.006 8.644 2.162 1.00 72.24 H new ATOM 0 HD2 TYR A 90 1.546 5.659 4.845 1.00 32.33 H new ATOM 0 HE1 TYR A 90 1.154 10.122 2.811 1.00 43.12 H new ATOM 0 HE2 TYR A 90 -0.305 7.138 5.477 1.00 4.04 H new ATOM 0 HH TYR A 90 -1.023 10.058 3.777 1.00 43.32 H new ATOM 1413 N GLU A 91 6.024 4.508 4.826 1.00 12.12 N ATOM 1414 CA GLU A 91 6.836 3.291 4.886 1.00 4.11 C ATOM 1415 C GLU A 91 5.905 2.104 5.159 1.00 44.01 C ATOM 1416 O GLU A 91 5.377 1.968 6.268 1.00 43.12 O ATOM 1417 CB GLU A 91 7.925 3.426 5.983 1.00 4.13 C ATOM 1418 CG GLU A 91 8.897 4.600 5.773 1.00 3.00 C ATOM 1419 CD GLU A 91 9.957 4.672 6.875 1.00 14.30 C ATOM 1420 OE1 GLU A 91 11.125 4.302 6.629 1.00 61.41 O ATOM 1421 OE2 GLU A 91 9.609 5.080 8.007 1.00 30.31 O ATOM 0 H GLU A 91 5.591 4.755 5.716 1.00 12.12 H new ATOM 0 HA GLU A 91 7.352 3.130 3.939 1.00 4.11 H new ATOM 0 HB2 GLU A 91 7.436 3.543 6.950 1.00 4.13 H new ATOM 0 HB3 GLU A 91 8.497 2.499 6.025 1.00 4.13 H new ATOM 0 HG2 GLU A 91 9.387 4.496 4.805 1.00 3.00 H new ATOM 0 HG3 GLU A 91 8.336 5.534 5.748 1.00 3.00 H new ATOM 1428 N LEU A 92 5.660 1.290 4.116 1.00 0.33 N ATOM 1429 CA LEU A 92 4.800 0.102 4.204 1.00 4.13 C ATOM 1430 C LEU A 92 5.684 -1.136 4.384 1.00 54.03 C ATOM 1431 O LEU A 92 6.363 -1.567 3.443 1.00 72.45 O ATOM 1432 CB LEU A 92 3.891 -0.032 2.939 1.00 63.24 C ATOM 1433 CG LEU A 92 2.732 1.017 2.791 1.00 2.23 C ATOM 1434 CD1 LEU A 92 3.256 2.448 2.574 1.00 60.31 C ATOM 1435 CD2 LEU A 92 1.759 0.609 1.663 1.00 21.20 C ATOM 0 H LEU A 92 6.055 1.440 3.188 1.00 0.33 H new ATOM 0 HA LEU A 92 4.136 0.200 5.063 1.00 4.13 H new ATOM 0 HB2 LEU A 92 4.525 0.035 2.055 1.00 63.24 H new ATOM 0 HB3 LEU A 92 3.450 -1.029 2.941 1.00 63.24 H new ATOM 0 HG LEU A 92 2.187 1.020 3.735 1.00 2.23 H new ATOM 0 HD11 LEU A 92 2.414 3.133 2.478 1.00 60.31 H new ATOM 0 HD12 LEU A 92 3.869 2.744 3.425 1.00 60.31 H new ATOM 0 HD13 LEU A 92 3.857 2.482 1.665 1.00 60.31 H new ATOM 0 HD21 LEU A 92 0.965 1.352 1.581 1.00 21.20 H new ATOM 0 HD22 LEU A 92 2.301 0.550 0.719 1.00 21.20 H new ATOM 0 HD23 LEU A 92 1.323 -0.364 1.892 1.00 21.20 H new ATOM 1447 N ARG A 93 5.695 -1.682 5.607 1.00 1.13 N ATOM 1448 CA ARG A 93 6.524 -2.839 5.961 1.00 52.52 C ATOM 1449 C ARG A 93 5.697 -4.130 5.841 1.00 63.00 C ATOM 1450 O ARG A 93 4.865 -4.436 6.708 1.00 32.53 O ATOM 1451 CB ARG A 93 7.110 -2.663 7.388 1.00 4.41 C ATOM 1452 CG ARG A 93 8.263 -3.629 7.717 1.00 31.12 C ATOM 1453 CD ARG A 93 8.918 -3.347 9.084 1.00 60.23 C ATOM 1454 NE ARG A 93 10.067 -4.245 9.351 1.00 43.24 N ATOM 1455 CZ ARG A 93 10.098 -5.233 10.264 1.00 53.33 C ATOM 1456 NH1 ARG A 93 9.047 -5.479 11.035 1.00 34.31 N ATOM 1457 NH2 ARG A 93 11.184 -5.975 10.388 1.00 51.30 N ATOM 0 H ARG A 93 5.128 -1.332 6.379 1.00 1.13 H new ATOM 0 HA ARG A 93 7.362 -2.911 5.268 1.00 52.52 H new ATOM 0 HB2 ARG A 93 7.465 -1.639 7.500 1.00 4.41 H new ATOM 0 HB3 ARG A 93 6.312 -2.805 8.117 1.00 4.41 H new ATOM 0 HG2 ARG A 93 7.886 -4.652 7.706 1.00 31.12 H new ATOM 0 HG3 ARG A 93 9.021 -3.560 6.937 1.00 31.12 H new ATOM 0 HD2 ARG A 93 9.254 -2.311 9.117 1.00 60.23 H new ATOM 0 HD3 ARG A 93 8.175 -3.466 9.872 1.00 60.23 H new ATOM 0 HE ARG A 93 10.909 -4.101 8.793 1.00 43.24 H new ATOM 0 HH11 ARG A 93 8.202 -4.916 10.940 1.00 34.31 H new ATOM 0 HH12 ARG A 93 9.084 -6.231 11.723 1.00 34.31 H new ATOM 0 HH21 ARG A 93 11.994 -5.798 9.793 1.00 51.30 H new ATOM 0 HH22 ARG A 93 11.213 -6.725 11.078 1.00 51.30 H new ATOM 1471 N PHE A 94 5.937 -4.864 4.749 1.00 60.25 N ATOM 1472 CA PHE A 94 5.238 -6.106 4.426 1.00 73.41 C ATOM 1473 C PHE A 94 5.950 -7.286 5.094 1.00 3.14 C ATOM 1474 O PHE A 94 7.051 -7.668 4.683 1.00 1.31 O ATOM 1475 CB PHE A 94 5.195 -6.294 2.886 1.00 13.01 C ATOM 1476 CG PHE A 94 4.369 -5.235 2.168 1.00 33.33 C ATOM 1477 CD1 PHE A 94 4.943 -4.044 1.738 1.00 40.30 C ATOM 1478 CD2 PHE A 94 3.009 -5.433 1.940 1.00 20.11 C ATOM 1479 CE1 PHE A 94 4.187 -3.083 1.098 1.00 73.01 C ATOM 1480 CE2 PHE A 94 2.256 -4.474 1.300 1.00 32.25 C ATOM 1481 CZ PHE A 94 2.844 -3.299 0.880 1.00 31.22 C ATOM 0 H PHE A 94 6.636 -4.604 4.054 1.00 60.25 H new ATOM 0 HA PHE A 94 4.215 -6.059 4.800 1.00 73.41 H new ATOM 0 HB2 PHE A 94 6.213 -6.275 2.497 1.00 13.01 H new ATOM 0 HB3 PHE A 94 4.785 -7.278 2.659 1.00 13.01 H new ATOM 0 HD1 PHE A 94 5.995 -3.868 1.907 1.00 40.30 H new ATOM 0 HD2 PHE A 94 2.540 -6.349 2.269 1.00 20.11 H new ATOM 0 HE1 PHE A 94 4.647 -2.163 0.769 1.00 73.01 H new ATOM 0 HE2 PHE A 94 1.203 -4.642 1.127 1.00 32.25 H new ATOM 0 HZ PHE A 94 2.251 -2.548 0.380 1.00 31.22 H new ATOM 1491 N GLU A 95 5.306 -7.847 6.127 1.00 64.40 N ATOM 1492 CA GLU A 95 5.865 -8.938 6.930 1.00 52.45 C ATOM 1493 C GLU A 95 5.261 -10.270 6.453 1.00 31.55 C ATOM 1494 O GLU A 95 4.028 -10.433 6.399 1.00 65.50 O ATOM 1495 CB GLU A 95 5.605 -8.670 8.433 1.00 61.54 C ATOM 1496 CG GLU A 95 6.429 -9.542 9.401 1.00 32.51 C ATOM 1497 CD GLU A 95 6.349 -9.041 10.851 1.00 30.22 C ATOM 1498 OE1 GLU A 95 6.958 -7.986 11.158 1.00 13.22 O ATOM 1499 OE2 GLU A 95 5.669 -9.677 11.684 1.00 34.53 O ATOM 0 H GLU A 95 4.377 -7.553 6.429 1.00 64.40 H new ATOM 0 HA GLU A 95 6.946 -8.997 6.801 1.00 52.45 H new ATOM 0 HB2 GLU A 95 5.817 -7.621 8.642 1.00 61.54 H new ATOM 0 HB3 GLU A 95 4.546 -8.828 8.637 1.00 61.54 H new ATOM 0 HG2 GLU A 95 6.071 -10.570 9.354 1.00 32.51 H new ATOM 0 HG3 GLU A 95 7.471 -9.552 9.080 1.00 32.51 H new ATOM 1506 N VAL A 96 6.149 -11.197 6.085 1.00 2.54 N ATOM 1507 CA VAL A 96 5.803 -12.401 5.330 1.00 34.23 C ATOM 1508 C VAL A 96 5.639 -13.622 6.247 1.00 33.42 C ATOM 1509 O VAL A 96 6.228 -13.695 7.332 1.00 3.12 O ATOM 1510 CB VAL A 96 6.870 -12.686 4.213 1.00 21.21 C ATOM 1511 CG1 VAL A 96 7.211 -11.382 3.462 1.00 41.24 C ATOM 1512 CG2 VAL A 96 8.150 -13.365 4.758 1.00 3.14 C ATOM 0 H VAL A 96 7.142 -11.130 6.307 1.00 2.54 H new ATOM 0 HA VAL A 96 4.841 -12.219 4.852 1.00 34.23 H new ATOM 0 HB VAL A 96 6.425 -13.396 3.517 1.00 21.21 H new ATOM 0 HG11 VAL A 96 7.952 -11.590 2.690 1.00 41.24 H new ATOM 0 HG12 VAL A 96 6.308 -10.981 3.001 1.00 41.24 H new ATOM 0 HG13 VAL A 96 7.614 -10.652 4.164 1.00 41.24 H new ATOM 0 HG21 VAL A 96 8.848 -13.536 3.939 1.00 3.14 H new ATOM 0 HG22 VAL A 96 8.615 -12.719 5.503 1.00 3.14 H new ATOM 0 HG23 VAL A 96 7.889 -14.319 5.217 1.00 3.14 H new ATOM 1522 N ASP A 97 4.802 -14.554 5.800 1.00 42.11 N ATOM 1523 CA ASP A 97 4.571 -15.844 6.453 1.00 34.41 C ATOM 1524 C ASP A 97 4.507 -16.925 5.363 1.00 71.44 C ATOM 1525 O ASP A 97 3.494 -17.069 4.667 1.00 31.52 O ATOM 1526 CB ASP A 97 3.274 -15.775 7.304 1.00 41.45 C ATOM 1527 CG ASP A 97 2.800 -17.134 7.849 1.00 35.41 C ATOM 1528 OD1 ASP A 97 3.508 -17.739 8.685 1.00 3.33 O ATOM 1529 OD2 ASP A 97 1.705 -17.595 7.448 1.00 71.44 O ATOM 0 H ASP A 97 4.250 -14.432 4.951 1.00 42.11 H new ATOM 0 HA ASP A 97 5.382 -16.094 7.138 1.00 34.41 H new ATOM 0 HB2 ASP A 97 3.439 -15.098 8.142 1.00 41.45 H new ATOM 0 HB3 ASP A 97 2.478 -15.343 6.697 1.00 41.45 H new ATOM 1534 N GLY A 98 5.637 -17.627 5.188 1.00 41.24 N ATOM 1535 CA GLY A 98 5.771 -18.685 4.191 1.00 2.33 C ATOM 1536 C GLY A 98 5.964 -18.149 2.773 1.00 10.32 C ATOM 1537 O GLY A 98 7.022 -17.602 2.457 1.00 11.31 O ATOM 0 H GLY A 98 6.482 -17.472 5.738 1.00 41.24 H new ATOM 0 HA2 GLY A 98 6.619 -19.318 4.453 1.00 2.33 H new ATOM 0 HA3 GLY A 98 4.882 -19.316 4.217 1.00 2.33 H new ATOM 1541 N ASP A 99 4.917 -18.284 1.939 1.00 40.51 N ATOM 1542 CA ASP A 99 4.933 -17.922 0.500 1.00 42.22 C ATOM 1543 C ASP A 99 3.989 -16.718 0.220 1.00 52.30 C ATOM 1544 O ASP A 99 3.939 -16.182 -0.898 1.00 64.32 O ATOM 1545 CB ASP A 99 4.541 -19.190 -0.318 1.00 61.43 C ATOM 1546 CG ASP A 99 4.470 -18.988 -1.844 1.00 42.34 C ATOM 1547 OD1 ASP A 99 5.498 -18.663 -2.468 1.00 63.30 O ATOM 1548 OD2 ASP A 99 3.371 -19.169 -2.432 1.00 41.43 O ATOM 0 H ASP A 99 4.018 -18.654 2.247 1.00 40.51 H new ATOM 0 HA ASP A 99 5.928 -17.598 0.196 1.00 42.22 H new ATOM 0 HB2 ASP A 99 5.263 -19.978 -0.105 1.00 61.43 H new ATOM 0 HB3 ASP A 99 3.571 -19.543 0.032 1.00 61.43 H new ATOM 1553 N THR A 100 3.273 -16.275 1.269 1.00 15.44 N ATOM 1554 CA THR A 100 2.315 -15.155 1.193 1.00 52.21 C ATOM 1555 C THR A 100 2.619 -14.120 2.289 1.00 41.42 C ATOM 1556 O THR A 100 3.207 -14.455 3.323 1.00 54.44 O ATOM 1557 CB THR A 100 0.834 -15.673 1.324 1.00 32.03 C ATOM 1558 OG1 THR A 100 -0.101 -14.579 1.335 1.00 33.23 O ATOM 1559 CG2 THR A 100 0.627 -16.532 2.585 1.00 1.13 C ATOM 0 H THR A 100 3.343 -16.686 2.200 1.00 15.44 H new ATOM 0 HA THR A 100 2.423 -14.678 0.219 1.00 52.21 H new ATOM 0 HB THR A 100 0.650 -16.298 0.450 1.00 32.03 H new ATOM 0 HG1 THR A 100 0.233 -13.858 0.762 1.00 33.23 H new ATOM 0 HG21 THR A 100 -0.410 -16.866 2.632 1.00 1.13 H new ATOM 0 HG22 THR A 100 1.286 -17.399 2.547 1.00 1.13 H new ATOM 0 HG23 THR A 100 0.858 -15.940 3.471 1.00 1.13 H new ATOM 1567 N ILE A 101 2.235 -12.858 2.049 1.00 52.55 N ATOM 1568 CA ILE A 101 2.397 -11.762 3.024 1.00 23.12 C ATOM 1569 C ILE A 101 1.073 -11.613 3.806 1.00 71.02 C ATOM 1570 O ILE A 101 -0.003 -11.620 3.201 1.00 65.22 O ATOM 1571 CB ILE A 101 2.744 -10.410 2.300 1.00 0.11 C ATOM 1572 CG1 ILE A 101 3.964 -10.587 1.337 1.00 65.24 C ATOM 1573 CG2 ILE A 101 3.006 -9.277 3.326 1.00 55.40 C ATOM 1574 CD1 ILE A 101 4.272 -9.380 0.461 1.00 25.24 C ATOM 0 H ILE A 101 1.802 -12.565 1.173 1.00 52.55 H new ATOM 0 HA ILE A 101 3.218 -11.997 3.701 1.00 23.12 H new ATOM 0 HB ILE A 101 1.881 -10.123 1.700 1.00 0.11 H new ATOM 0 HG12 ILE A 101 4.847 -10.820 1.932 1.00 65.24 H new ATOM 0 HG13 ILE A 101 3.778 -11.447 0.693 1.00 65.24 H new ATOM 0 HG21 ILE A 101 3.243 -8.354 2.796 1.00 55.40 H new ATOM 0 HG22 ILE A 101 2.116 -9.126 3.937 1.00 55.40 H new ATOM 0 HG23 ILE A 101 3.843 -9.553 3.967 1.00 55.40 H new ATOM 0 HD11 ILE A 101 5.133 -9.599 -0.171 1.00 25.24 H new ATOM 0 HD12 ILE A 101 3.409 -9.156 -0.166 1.00 25.24 H new ATOM 0 HD13 ILE A 101 4.495 -8.520 1.092 1.00 25.24 H new ATOM 1586 N ARG A 102 1.147 -11.496 5.148 1.00 44.32 N ATOM 1587 CA ARG A 102 -0.061 -11.477 6.021 1.00 44.33 C ATOM 1588 C ARG A 102 -0.176 -10.150 6.787 1.00 24.53 C ATOM 1589 O ARG A 102 -1.160 -9.921 7.499 1.00 24.01 O ATOM 1590 CB ARG A 102 -0.010 -12.674 7.016 1.00 34.31 C ATOM 1591 CG ARG A 102 0.323 -14.028 6.352 1.00 61.43 C ATOM 1592 CD ARG A 102 -0.699 -14.472 5.286 1.00 43.23 C ATOM 1593 NE ARG A 102 -1.978 -14.902 5.878 1.00 23.40 N ATOM 1594 CZ ARG A 102 -3.022 -15.409 5.194 1.00 61.42 C ATOM 1595 NH1 ARG A 102 -2.957 -15.541 3.872 1.00 51.24 N ATOM 1596 NH2 ARG A 102 -4.106 -15.811 5.846 1.00 22.21 N ATOM 0 H ARG A 102 2.027 -11.413 5.657 1.00 44.32 H new ATOM 0 HA ARG A 102 -0.943 -11.571 5.388 1.00 44.33 H new ATOM 0 HB2 ARG A 102 0.735 -12.464 7.783 1.00 34.31 H new ATOM 0 HB3 ARG A 102 -0.973 -12.755 7.521 1.00 34.31 H new ATOM 0 HG2 ARG A 102 1.308 -13.962 5.891 1.00 61.43 H new ATOM 0 HG3 ARG A 102 0.383 -14.795 7.124 1.00 61.43 H new ATOM 0 HD2 ARG A 102 -0.880 -13.649 4.595 1.00 43.23 H new ATOM 0 HD3 ARG A 102 -0.278 -15.291 4.702 1.00 43.23 H new ATOM 0 HE ARG A 102 -2.081 -14.808 6.888 1.00 23.40 H new ATOM 0 HH11 ARG A 102 -2.114 -15.258 3.372 1.00 51.24 H new ATOM 0 HH12 ARG A 102 -3.750 -15.925 3.358 1.00 51.24 H new ATOM 0 HH21 ARG A 102 -4.147 -15.736 6.862 1.00 22.21 H new ATOM 0 HH22 ARG A 102 -4.898 -16.195 5.331 1.00 22.21 H new ATOM 1610 N ARG A 103 0.823 -9.270 6.610 1.00 62.15 N ATOM 1611 CA ARG A 103 0.954 -8.027 7.380 1.00 24.43 C ATOM 1612 C ARG A 103 1.504 -6.910 6.484 1.00 71.23 C ATOM 1613 O ARG A 103 2.447 -7.129 5.727 1.00 3.00 O ATOM 1614 CB ARG A 103 1.904 -8.277 8.596 1.00 44.21 C ATOM 1615 CG ARG A 103 2.309 -7.028 9.434 1.00 64.44 C ATOM 1616 CD ARG A 103 1.118 -6.351 10.140 1.00 61.50 C ATOM 1617 NE ARG A 103 1.532 -5.156 10.908 1.00 12.34 N ATOM 1618 CZ ARG A 103 0.773 -4.506 11.813 1.00 61.05 C ATOM 1619 NH1 ARG A 103 -0.464 -4.914 12.091 1.00 64.24 N ATOM 1620 NH2 ARG A 103 1.262 -3.441 12.441 1.00 21.53 N ATOM 0 H ARG A 103 1.566 -9.404 5.924 1.00 62.15 H new ATOM 0 HA ARG A 103 -0.024 -7.717 7.749 1.00 24.43 H new ATOM 0 HB2 ARG A 103 1.423 -8.993 9.262 1.00 44.21 H new ATOM 0 HB3 ARG A 103 2.814 -8.748 8.226 1.00 44.21 H new ATOM 0 HG2 ARG A 103 3.044 -7.325 10.182 1.00 64.44 H new ATOM 0 HG3 ARG A 103 2.794 -6.303 8.780 1.00 64.44 H new ATOM 0 HD2 ARG A 103 0.373 -6.064 9.398 1.00 61.50 H new ATOM 0 HD3 ARG A 103 0.641 -7.065 10.811 1.00 61.50 H new ATOM 0 HE ARG A 103 2.470 -4.794 10.739 1.00 12.34 H new ATOM 0 HH11 ARG A 103 -0.851 -5.730 11.616 1.00 64.24 H new ATOM 0 HH12 ARG A 103 -1.025 -4.411 12.779 1.00 64.24 H new ATOM 0 HH21 ARG A 103 2.208 -3.119 12.237 1.00 21.53 H new ATOM 0 HH22 ARG A 103 0.691 -2.946 13.126 1.00 21.53 H new ATOM 1634 N VAL A 104 0.877 -5.728 6.565 1.00 60.41 N ATOM 1635 CA VAL A 104 1.420 -4.477 6.022 1.00 74.24 C ATOM 1636 C VAL A 104 1.322 -3.407 7.126 1.00 53.24 C ATOM 1637 O VAL A 104 0.230 -3.124 7.637 1.00 24.10 O ATOM 1638 CB VAL A 104 0.688 -4.014 4.695 1.00 32.52 C ATOM 1639 CG1 VAL A 104 -0.848 -3.937 4.857 1.00 43.13 C ATOM 1640 CG2 VAL A 104 1.260 -2.665 4.175 1.00 14.13 C ATOM 0 H VAL A 104 -0.031 -5.614 7.015 1.00 60.41 H new ATOM 0 HA VAL A 104 2.459 -4.633 5.733 1.00 74.24 H new ATOM 0 HB VAL A 104 0.889 -4.782 3.948 1.00 32.52 H new ATOM 0 HG11 VAL A 104 -1.297 -3.615 3.918 1.00 43.13 H new ATOM 0 HG12 VAL A 104 -1.235 -4.920 5.126 1.00 43.13 H new ATOM 0 HG13 VAL A 104 -1.096 -3.222 5.642 1.00 43.13 H new ATOM 0 HG21 VAL A 104 0.737 -2.375 3.264 1.00 14.13 H new ATOM 0 HG22 VAL A 104 1.122 -1.895 4.934 1.00 14.13 H new ATOM 0 HG23 VAL A 104 2.323 -2.778 3.963 1.00 14.13 H new ATOM 1650 N THR A 105 2.480 -2.883 7.548 1.00 65.11 N ATOM 1651 CA THR A 105 2.549 -1.805 8.539 1.00 64.10 C ATOM 1652 C THR A 105 2.704 -0.478 7.782 1.00 41.22 C ATOM 1653 O THR A 105 3.788 -0.165 7.288 1.00 11.23 O ATOM 1654 CB THR A 105 3.769 -2.037 9.503 1.00 62.22 C ATOM 1655 OG1 THR A 105 3.765 -3.399 9.974 1.00 74.54 O ATOM 1656 CG2 THR A 105 3.747 -1.082 10.714 1.00 61.14 C ATOM 0 H THR A 105 3.392 -3.194 7.213 1.00 65.11 H new ATOM 0 HA THR A 105 1.644 -1.785 9.145 1.00 64.10 H new ATOM 0 HB THR A 105 4.675 -1.833 8.933 1.00 62.22 H new ATOM 0 HG1 THR A 105 4.528 -3.540 10.573 1.00 74.54 H new ATOM 0 HG21 THR A 105 4.609 -1.281 11.350 1.00 61.14 H new ATOM 0 HG22 THR A 105 3.784 -0.050 10.364 1.00 61.14 H new ATOM 0 HG23 THR A 105 2.832 -1.239 11.284 1.00 61.14 H new ATOM 1664 N VAL A 106 1.607 0.285 7.682 1.00 42.24 N ATOM 1665 CA VAL A 106 1.599 1.572 6.961 1.00 23.22 C ATOM 1666 C VAL A 106 1.869 2.697 7.973 1.00 61.25 C ATOM 1667 O VAL A 106 1.001 3.021 8.793 1.00 70.12 O ATOM 1668 CB VAL A 106 0.223 1.829 6.214 1.00 74.21 C ATOM 1669 CG1 VAL A 106 0.264 3.142 5.382 1.00 43.31 C ATOM 1670 CG2 VAL A 106 -0.165 0.617 5.328 1.00 32.14 C ATOM 0 H VAL A 106 0.708 0.034 8.093 1.00 42.24 H new ATOM 0 HA VAL A 106 2.375 1.548 6.196 1.00 23.22 H new ATOM 0 HB VAL A 106 -0.548 1.948 6.975 1.00 74.21 H new ATOM 0 HG11 VAL A 106 -0.694 3.287 4.884 1.00 43.31 H new ATOM 0 HG12 VAL A 106 0.460 3.986 6.043 1.00 43.31 H new ATOM 0 HG13 VAL A 106 1.055 3.075 4.635 1.00 43.31 H new ATOM 0 HG21 VAL A 106 -1.112 0.820 4.828 1.00 32.14 H new ATOM 0 HG22 VAL A 106 0.611 0.449 4.581 1.00 32.14 H new ATOM 0 HG23 VAL A 106 -0.267 -0.271 5.951 1.00 32.14 H new ATOM 1680 N THR A 107 3.093 3.250 7.945 1.00 3.33 N ATOM 1681 CA THR A 107 3.485 4.356 8.829 1.00 71.21 C ATOM 1682 C THR A 107 3.661 5.639 8.001 1.00 43.23 C ATOM 1683 O THR A 107 4.448 5.655 7.054 1.00 5.33 O ATOM 1684 CB THR A 107 4.815 4.022 9.587 1.00 33.15 C ATOM 1685 OG1 THR A 107 4.707 2.721 10.195 1.00 70.01 O ATOM 1686 CG2 THR A 107 5.136 5.069 10.676 1.00 20.14 C ATOM 0 H THR A 107 3.833 2.944 7.313 1.00 3.33 H new ATOM 0 HA THR A 107 2.699 4.504 9.570 1.00 71.21 H new ATOM 0 HB THR A 107 5.626 4.036 8.858 1.00 33.15 H new ATOM 0 HG1 THR A 107 5.539 2.511 10.668 1.00 70.01 H new ATOM 0 HG21 THR A 107 6.066 4.800 11.177 1.00 20.14 H new ATOM 0 HG22 THR A 107 5.243 6.051 10.216 1.00 20.14 H new ATOM 0 HG23 THR A 107 4.326 5.096 11.405 1.00 20.14 H new ATOM 1694 N GLN A 108 2.907 6.693 8.350 1.00 41.52 N ATOM 1695 CA GLN A 108 3.061 8.018 7.735 1.00 13.13 C ATOM 1696 C GLN A 108 4.337 8.676 8.292 1.00 74.10 C ATOM 1697 O GLN A 108 4.334 9.217 9.406 1.00 4.43 O ATOM 1698 CB GLN A 108 1.809 8.901 8.011 1.00 41.55 C ATOM 1699 CG GLN A 108 1.799 10.243 7.254 1.00 54.53 C ATOM 1700 CD GLN A 108 0.587 11.132 7.570 1.00 4.12 C ATOM 1701 OE1 GLN A 108 0.061 11.125 8.684 1.00 24.03 O ATOM 1702 NE2 GLN A 108 0.118 11.888 6.588 1.00 34.33 N ATOM 0 H GLN A 108 2.178 6.650 9.062 1.00 41.52 H new ATOM 0 HA GLN A 108 3.152 7.914 6.654 1.00 13.13 H new ATOM 0 HB2 GLN A 108 0.916 8.338 7.741 1.00 41.55 H new ATOM 0 HB3 GLN A 108 1.748 9.100 9.081 1.00 41.55 H new ATOM 0 HG2 GLN A 108 2.710 10.790 7.495 1.00 54.53 H new ATOM 0 HG3 GLN A 108 1.820 10.044 6.183 1.00 54.53 H new ATOM 0 HE21 GLN A 108 0.571 11.876 5.674 1.00 34.33 H new ATOM 0 HE22 GLN A 108 -0.696 12.482 6.746 1.00 34.33 H new ATOM 1711 N ASN A 109 5.436 8.563 7.534 1.00 21.33 N ATOM 1712 CA ASN A 109 6.719 9.188 7.878 1.00 54.02 C ATOM 1713 C ASN A 109 6.668 10.667 7.443 1.00 15.21 C ATOM 1714 O ASN A 109 7.164 11.048 6.371 1.00 55.22 O ATOM 1715 CB ASN A 109 7.907 8.418 7.222 1.00 33.34 C ATOM 1716 CG ASN A 109 9.290 8.793 7.788 1.00 61.30 C ATOM 1717 OD1 ASN A 109 9.508 9.886 8.317 1.00 33.55 O ATOM 1718 ND2 ASN A 109 10.236 7.888 7.649 1.00 4.45 N ATOM 0 H ASN A 109 5.460 8.034 6.662 1.00 21.33 H new ATOM 0 HA ASN A 109 6.886 9.143 8.954 1.00 54.02 H new ATOM 0 HB2 ASN A 109 7.750 7.348 7.356 1.00 33.34 H new ATOM 0 HB3 ASN A 109 7.902 8.610 6.149 1.00 33.34 H new ATOM 0 HD21 ASN A 109 11.180 8.082 7.983 1.00 4.45 H new ATOM 0 HD22 ASN A 109 10.025 6.993 7.207 1.00 4.45 H new