USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1079 hydrogens (27 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 127 GLN : amide:sc= 0 X(o=-0.35,f=-0.35) USER MOD Set 1.2: A 129 SER OG : rot 180:sc= -0.353 USER MOD Set 2.1: A 29 TYR OH : rot 148:sc= -0.0296! USER MOD Set 2.2: A 97 THR OG1 : rot 103:sc= 1.38 USER MOD Set 3.1: A 86 TYR OH : rot -128:sc= 0.175 USER MOD Set 3.2: A 90 GLN : amide:sc= 0.166 X(o=0.34,f=0.17) USER MOD Set 4.1: A 57 CYS SG : rot 150:sc= -0.189 USER MOD Set 4.2: A 89 HIS : no HD1:sc= -2.07! C(o=-2.3!,f=-5.2!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0527) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.358 K(o=0.36,f=-5.3!) USER MOD Single : A 38 SER OG : rot -55:sc= 0.189 USER MOD Single : A 47 ASN : amide:sc= -0.0295 K(o=-0.029,f=-0.69) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.478 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot -37:sc= 0.107 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0711 USER MOD Single : A 77 SER OG : rot 74:sc= 0.932 USER MOD Single : A 79 TYR OH : rot 150:sc= 0 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.0404 F(o=-0.57,f=-0.04) USER MOD Single : A 81 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 87 CYS SG : rot 140:sc= -0.322 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.61) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= -0.0502 (180deg=-0.333) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot -29:sc= 0.894 USER MOD Single : A 124 ASN : amide:sc= -0.0706 K(o=-0.071,f=-2.9!) USER MOD Single : A 125 ASN : amide:sc=-2.08e-05 K(o=-2.1e-05,f=-0.61) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc=-0.00453 X(o=-0.0045,f=-0.16) USER MOD Single : A 131 ASN : amide:sc= -0.101 K(o=-0.1,f=-2!) USER MOD Single : A 132 TYR OH : rot 30:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 7.441 15.266 0.468 1.00 3.40 N ATOM 2 CA GLY A 2 7.758 16.584 -0.051 1.00 70.11 C ATOM 3 C GLY A 2 8.278 16.537 -1.474 1.00 72.30 C ATOM 4 O GLY A 2 8.697 17.556 -2.023 1.00 31.41 O ATOM 0 HA2 GLY A 2 6.866 17.210 -0.014 1.00 70.11 H new ATOM 0 HA3 GLY A 2 8.504 17.054 0.590 1.00 70.11 H new ATOM 8 N ALA A 3 8.254 15.350 -2.072 1.00 41.41 N ATOM 9 CA ALA A 3 8.727 15.174 -3.440 1.00 42.45 C ATOM 10 C ALA A 3 7.559 15.091 -4.418 1.00 32.10 C ATOM 11 O ALA A 3 6.415 15.367 -4.057 1.00 4.24 O ATOM 12 CB ALA A 3 9.593 13.928 -3.542 1.00 22.42 C ATOM 0 H ALA A 3 7.912 14.496 -1.631 1.00 41.41 H new ATOM 0 HA ALA A 3 9.328 16.044 -3.706 1.00 42.45 H new ATOM 0 HB1 ALA A 3 9.939 13.809 -4.569 1.00 22.42 H new ATOM 0 HB2 ALA A 3 10.452 14.027 -2.878 1.00 22.42 H new ATOM 0 HB3 ALA A 3 9.009 13.054 -3.252 1.00 22.42 H new ATOM 18 N ARG A 4 7.857 14.710 -5.656 1.00 5.33 N ATOM 19 CA ARG A 4 6.832 14.593 -6.686 1.00 10.40 C ATOM 20 C ARG A 4 6.015 13.318 -6.498 1.00 10.23 C ATOM 21 O ARG A 4 6.032 12.428 -7.348 1.00 41.30 O ATOM 22 CB ARG A 4 7.471 14.602 -8.076 1.00 53.40 C ATOM 23 CG ARG A 4 7.801 15.995 -8.585 1.00 10.10 C ATOM 24 CD ARG A 4 8.474 15.946 -9.948 1.00 20.53 C ATOM 25 NE ARG A 4 7.525 15.646 -11.017 1.00 20.42 N ATOM 26 CZ ARG A 4 7.842 15.661 -12.307 1.00 21.11 C ATOM 27 NH1 ARG A 4 9.078 15.958 -12.685 1.00 30.24 N ATOM 28 NH2 ARG A 4 6.923 15.376 -13.220 1.00 4.55 N ATOM 0 H ARG A 4 8.799 14.477 -5.970 1.00 5.33 H new ATOM 0 HA ARG A 4 6.163 15.449 -6.596 1.00 10.40 H new ATOM 0 HB2 ARG A 4 8.384 14.008 -8.051 1.00 53.40 H new ATOM 0 HB3 ARG A 4 6.795 14.118 -8.781 1.00 53.40 H new ATOM 0 HG2 ARG A 4 6.887 16.585 -8.650 1.00 10.10 H new ATOM 0 HG3 ARG A 4 8.455 16.498 -7.873 1.00 10.10 H new ATOM 0 HD2 ARG A 4 8.956 16.903 -10.149 1.00 20.53 H new ATOM 0 HD3 ARG A 4 9.259 15.190 -9.938 1.00 20.53 H new ATOM 0 HE ARG A 4 6.566 15.412 -10.759 1.00 20.42 H new ATOM 0 HH11 ARG A 4 9.787 16.175 -11.985 1.00 30.24 H new ATOM 0 HH12 ARG A 4 9.320 15.969 -13.676 1.00 30.24 H new ATOM 0 HH21 ARG A 4 5.972 15.145 -12.932 1.00 4.55 H new ATOM 0 HH22 ARG A 4 7.167 15.388 -14.210 1.00 4.55 H new ATOM 42 N ALA A 5 5.303 13.237 -5.380 1.00 42.21 N ATOM 43 CA ALA A 5 4.479 12.072 -5.081 1.00 60.11 C ATOM 44 C ALA A 5 5.281 10.782 -5.223 1.00 0.25 C ATOM 45 O ALA A 5 6.502 10.813 -5.378 1.00 64.43 O ATOM 46 CB ALA A 5 3.260 12.041 -5.991 1.00 60.31 C ATOM 0 H ALA A 5 5.280 13.964 -4.665 1.00 42.21 H new ATOM 0 HA ALA A 5 4.145 12.149 -4.046 1.00 60.11 H new ATOM 0 HB1 ALA A 5 2.653 11.166 -5.757 1.00 60.31 H new ATOM 0 HB2 ALA A 5 2.669 12.944 -5.838 1.00 60.31 H new ATOM 0 HB3 ALA A 5 3.583 11.991 -7.031 1.00 60.31 H new ATOM 52 N SER A 6 4.586 9.650 -5.169 1.00 71.21 N ATOM 53 CA SER A 6 5.234 8.350 -5.286 1.00 34.53 C ATOM 54 C SER A 6 6.188 8.110 -4.120 1.00 2.51 C ATOM 55 O SER A 6 6.658 9.054 -3.485 1.00 51.12 O ATOM 56 CB SER A 6 5.995 8.252 -6.611 1.00 4.52 C ATOM 57 OG SER A 6 5.403 7.294 -7.470 1.00 40.22 O ATOM 0 H SER A 6 3.574 9.608 -5.045 1.00 71.21 H new ATOM 0 HA SER A 6 4.459 7.583 -5.262 1.00 34.53 H new ATOM 0 HB2 SER A 6 6.006 9.226 -7.100 1.00 4.52 H new ATOM 0 HB3 SER A 6 7.033 7.980 -6.419 1.00 4.52 H new ATOM 0 HG SER A 6 5.907 7.252 -8.310 1.00 40.22 H new ATOM 63 N ARG A 7 6.470 6.840 -3.846 1.00 43.22 N ATOM 64 CA ARG A 7 7.367 6.475 -2.756 1.00 41.52 C ATOM 65 C ARG A 7 8.049 5.140 -3.036 1.00 5.42 C ATOM 66 O ARG A 7 9.266 5.012 -2.901 1.00 54.24 O ATOM 67 CB ARG A 7 6.596 6.399 -1.437 1.00 43.35 C ATOM 68 CG ARG A 7 6.702 7.661 -0.595 1.00 62.32 C ATOM 69 CD ARG A 7 7.958 7.653 0.263 1.00 45.32 C ATOM 70 NE ARG A 7 8.957 8.601 -0.221 1.00 42.23 N ATOM 71 CZ ARG A 7 8.949 9.895 0.078 1.00 21.12 C ATOM 72 NH1 ARG A 7 7.998 10.393 0.856 1.00 62.03 N ATOM 73 NH2 ARG A 7 9.893 10.694 -0.401 1.00 12.21 N ATOM 0 H ARG A 7 6.090 6.047 -4.364 1.00 43.22 H new ATOM 0 HA ARG A 7 8.134 7.245 -2.677 1.00 41.52 H new ATOM 0 HB2 ARG A 7 5.545 6.202 -1.651 1.00 43.35 H new ATOM 0 HB3 ARG A 7 6.967 5.554 -0.857 1.00 43.35 H new ATOM 0 HG2 ARG A 7 6.710 8.535 -1.246 1.00 62.32 H new ATOM 0 HG3 ARG A 7 5.824 7.748 0.044 1.00 62.32 H new ATOM 0 HD2 ARG A 7 7.695 7.897 1.292 1.00 45.32 H new ATOM 0 HD3 ARG A 7 8.384 6.650 0.272 1.00 45.32 H new ATOM 0 HE ARG A 7 9.703 8.250 -0.822 1.00 42.23 H new ATOM 0 HH11 ARG A 7 7.270 9.782 1.227 1.00 62.03 H new ATOM 0 HH12 ARG A 7 7.994 11.387 1.084 1.00 62.03 H new ATOM 0 HH21 ARG A 7 10.626 10.315 -1.000 1.00 12.21 H new ATOM 0 HH22 ARG A 7 9.886 11.688 -0.170 1.00 12.21 H new ATOM 87 N LEU A 8 7.257 4.149 -3.428 1.00 22.35 N ATOM 88 CA LEU A 8 7.783 2.821 -3.729 1.00 52.24 C ATOM 89 C LEU A 8 8.300 2.752 -5.162 1.00 65.03 C ATOM 90 O LEU A 8 8.373 3.766 -5.856 1.00 52.41 O ATOM 91 CB LEU A 8 6.703 1.761 -3.511 1.00 4.15 C ATOM 92 CG LEU A 8 5.851 1.919 -2.251 1.00 42.01 C ATOM 93 CD1 LEU A 8 4.874 0.761 -2.119 1.00 3.24 C ATOM 94 CD2 LEU A 8 6.736 2.016 -1.018 1.00 44.42 C ATOM 0 H LEU A 8 6.248 4.239 -3.545 1.00 22.35 H new ATOM 0 HA LEU A 8 8.615 2.625 -3.053 1.00 52.24 H new ATOM 0 HB2 LEU A 8 6.040 1.764 -4.376 1.00 4.15 H new ATOM 0 HB3 LEU A 8 7.183 0.783 -3.480 1.00 4.15 H new ATOM 0 HG LEU A 8 5.278 2.843 -2.336 1.00 42.01 H new ATOM 0 HD11 LEU A 8 4.276 0.890 -1.217 1.00 3.24 H new ATOM 0 HD12 LEU A 8 4.218 0.738 -2.989 1.00 3.24 H new ATOM 0 HD13 LEU A 8 5.427 -0.176 -2.057 1.00 3.24 H new ATOM 0 HD21 LEU A 8 6.113 2.128 -0.131 1.00 44.42 H new ATOM 0 HD22 LEU A 8 7.336 1.110 -0.928 1.00 44.42 H new ATOM 0 HD23 LEU A 8 7.395 2.879 -1.110 1.00 44.42 H new ATOM 106 N SER A 9 8.654 1.548 -5.600 1.00 31.33 N ATOM 107 CA SER A 9 9.165 1.346 -6.951 1.00 23.21 C ATOM 108 C SER A 9 8.938 -0.092 -7.408 1.00 40.12 C ATOM 109 O SER A 9 8.331 -0.892 -6.698 1.00 73.25 O ATOM 110 CB SER A 9 10.656 1.683 -7.011 1.00 1.12 C ATOM 111 OG SER A 9 10.916 2.670 -7.994 1.00 74.31 O ATOM 0 H SER A 9 8.596 0.698 -5.039 1.00 31.33 H new ATOM 0 HA SER A 9 8.622 2.012 -7.622 1.00 23.21 H new ATOM 0 HB2 SER A 9 10.991 2.038 -6.037 1.00 1.12 H new ATOM 0 HB3 SER A 9 11.227 0.782 -7.236 1.00 1.12 H new ATOM 0 HG SER A 9 11.875 2.869 -8.012 1.00 74.31 H new ATOM 117 N GLY A 10 9.431 -0.411 -8.601 1.00 61.42 N ATOM 118 CA GLY A 10 9.272 -1.753 -9.133 1.00 14.52 C ATOM 119 C GLY A 10 9.634 -2.823 -8.124 1.00 23.41 C ATOM 120 O GLY A 10 8.939 -3.832 -8.004 1.00 21.52 O ATOM 0 H GLY A 10 9.937 0.234 -9.208 1.00 61.42 H new ATOM 0 HA2 GLY A 10 8.239 -1.894 -9.453 1.00 14.52 H new ATOM 0 HA3 GLY A 10 9.898 -1.866 -10.018 1.00 14.52 H new ATOM 124 N GLY A 11 10.724 -2.606 -7.396 1.00 14.03 N ATOM 125 CA GLY A 11 11.158 -3.571 -6.402 1.00 2.20 C ATOM 126 C GLY A 11 10.089 -3.856 -5.366 1.00 21.52 C ATOM 127 O GLY A 11 9.689 -5.005 -5.180 1.00 3.40 O ATOM 0 H GLY A 11 11.315 -1.779 -7.476 1.00 14.03 H new ATOM 0 HA2 GLY A 11 11.435 -4.501 -6.899 1.00 2.20 H new ATOM 0 HA3 GLY A 11 12.052 -3.197 -5.904 1.00 2.20 H new ATOM 131 N GLU A 12 9.628 -2.808 -4.690 1.00 64.44 N ATOM 132 CA GLU A 12 8.601 -2.954 -3.665 1.00 70.32 C ATOM 133 C GLU A 12 7.267 -3.364 -4.285 1.00 14.35 C ATOM 134 O GLU A 12 6.414 -3.951 -3.619 1.00 42.35 O ATOM 135 CB GLU A 12 8.434 -1.646 -2.889 1.00 31.41 C ATOM 136 CG GLU A 12 8.912 -1.727 -1.449 1.00 34.14 C ATOM 137 CD GLU A 12 7.829 -2.199 -0.500 1.00 5.24 C ATOM 138 OE1 GLU A 12 6.716 -1.632 -0.541 1.00 65.34 O ATOM 139 OE2 GLU A 12 8.092 -3.135 0.283 1.00 73.15 O ATOM 0 H GLU A 12 9.949 -1.850 -4.833 1.00 64.44 H new ATOM 0 HA GLU A 12 8.919 -3.738 -2.978 1.00 70.32 H new ATOM 0 HB2 GLU A 12 8.984 -0.857 -3.402 1.00 31.41 H new ATOM 0 HB3 GLU A 12 7.382 -1.360 -2.898 1.00 31.41 H new ATOM 0 HG2 GLU A 12 9.762 -2.406 -1.390 1.00 34.14 H new ATOM 0 HG3 GLU A 12 9.265 -0.746 -1.132 1.00 34.14 H new ATOM 146 N LEU A 13 7.097 -3.050 -5.564 1.00 24.15 N ATOM 147 CA LEU A 13 5.868 -3.385 -6.276 1.00 44.24 C ATOM 148 C LEU A 13 5.703 -4.896 -6.400 1.00 71.52 C ATOM 149 O LEU A 13 4.585 -5.404 -6.480 1.00 70.43 O ATOM 150 CB LEU A 13 5.869 -2.745 -7.666 1.00 54.34 C ATOM 151 CG LEU A 13 4.497 -2.401 -8.248 1.00 32.40 C ATOM 152 CD1 LEU A 13 3.793 -1.368 -7.383 1.00 35.01 C ATOM 153 CD2 LEU A 13 4.636 -1.899 -9.677 1.00 2.42 C ATOM 0 H LEU A 13 7.793 -2.564 -6.129 1.00 24.15 H new ATOM 0 HA LEU A 13 5.028 -2.993 -5.702 1.00 44.24 H new ATOM 0 HB2 LEU A 13 6.462 -1.832 -7.623 1.00 54.34 H new ATOM 0 HB3 LEU A 13 6.374 -3.422 -8.355 1.00 54.34 H new ATOM 0 HG LEU A 13 3.891 -3.307 -8.260 1.00 32.40 H new ATOM 0 HD11 LEU A 13 2.819 -1.136 -7.813 1.00 35.01 H new ATOM 0 HD12 LEU A 13 3.660 -1.766 -6.377 1.00 35.01 H new ATOM 0 HD13 LEU A 13 4.395 -0.460 -7.338 1.00 35.01 H new ATOM 0 HD21 LEU A 13 3.650 -1.659 -10.076 1.00 2.42 H new ATOM 0 HD22 LEU A 13 5.260 -1.005 -9.690 1.00 2.42 H new ATOM 0 HD23 LEU A 13 5.097 -2.672 -10.291 1.00 2.42 H new ATOM 165 N ASP A 14 6.825 -5.608 -6.412 1.00 60.23 N ATOM 166 CA ASP A 14 6.806 -7.062 -6.522 1.00 11.32 C ATOM 167 C ASP A 14 6.078 -7.688 -5.336 1.00 53.31 C ATOM 168 O ASP A 14 5.263 -8.595 -5.503 1.00 44.13 O ATOM 169 CB ASP A 14 8.233 -7.607 -6.606 1.00 62.12 C ATOM 170 CG ASP A 14 8.375 -8.702 -7.645 1.00 63.23 C ATOM 171 OD1 ASP A 14 8.670 -8.376 -8.814 1.00 1.30 O ATOM 172 OD2 ASP A 14 8.191 -9.884 -7.289 1.00 21.21 O ATOM 0 H ASP A 14 7.758 -5.202 -6.347 1.00 60.23 H new ATOM 0 HA ASP A 14 6.270 -7.326 -7.434 1.00 11.32 H new ATOM 0 HB2 ASP A 14 8.916 -6.792 -6.846 1.00 62.12 H new ATOM 0 HB3 ASP A 14 8.529 -7.995 -5.631 1.00 62.12 H new ATOM 177 N LYS A 15 6.379 -7.197 -4.139 1.00 73.52 N ATOM 178 CA LYS A 15 5.753 -7.708 -2.924 1.00 55.14 C ATOM 179 C LYS A 15 4.337 -7.162 -2.771 1.00 73.04 C ATOM 180 O LYS A 15 3.421 -7.888 -2.384 1.00 12.32 O ATOM 181 CB LYS A 15 6.591 -7.333 -1.699 1.00 32.21 C ATOM 182 CG LYS A 15 7.472 -8.463 -1.197 1.00 75.33 C ATOM 183 CD LYS A 15 8.587 -7.947 -0.303 1.00 52.33 C ATOM 184 CE LYS A 15 9.880 -8.717 -0.521 1.00 11.34 C ATOM 185 NZ LYS A 15 10.744 -8.070 -1.548 1.00 30.21 N ATOM 0 H LYS A 15 7.052 -6.446 -3.983 1.00 73.52 H new ATOM 0 HA LYS A 15 5.698 -8.794 -3.001 1.00 55.14 H new ATOM 0 HB2 LYS A 15 7.218 -6.477 -1.947 1.00 32.21 H new ATOM 0 HB3 LYS A 15 5.925 -7.018 -0.896 1.00 32.21 H new ATOM 0 HG2 LYS A 15 6.865 -9.181 -0.645 1.00 75.33 H new ATOM 0 HG3 LYS A 15 7.902 -8.995 -2.046 1.00 75.33 H new ATOM 0 HD2 LYS A 15 8.755 -6.889 -0.503 1.00 52.33 H new ATOM 0 HD3 LYS A 15 8.285 -8.030 0.741 1.00 52.33 H new ATOM 0 HE2 LYS A 15 10.425 -8.786 0.421 1.00 11.34 H new ATOM 0 HE3 LYS A 15 9.648 -9.736 -0.831 1.00 11.34 H new ATOM 0 HZ1 LYS A 15 11.616 -8.625 -1.668 1.00 30.21 H new ATOM 0 HZ2 LYS A 15 10.234 -8.027 -2.453 1.00 30.21 H new ATOM 0 HZ3 LYS A 15 10.986 -7.106 -1.241 1.00 30.21 H new ATOM 199 N TRP A 16 4.166 -5.881 -3.076 1.00 12.04 N ATOM 200 CA TRP A 16 2.861 -5.239 -2.974 1.00 41.24 C ATOM 201 C TRP A 16 1.820 -5.984 -3.803 1.00 55.21 C ATOM 202 O TRP A 16 0.668 -6.120 -3.393 1.00 55.31 O ATOM 203 CB TRP A 16 2.948 -3.783 -3.432 1.00 44.42 C ATOM 204 CG TRP A 16 1.615 -3.102 -3.506 1.00 43.10 C ATOM 205 CD1 TRP A 16 1.006 -2.610 -4.625 1.00 15.11 C ATOM 206 CD2 TRP A 16 0.726 -2.836 -2.415 1.00 34.51 C ATOM 207 NE1 TRP A 16 -0.207 -2.055 -4.296 1.00 53.41 N ATOM 208 CE2 TRP A 16 -0.403 -2.182 -2.946 1.00 33.24 C ATOM 209 CE3 TRP A 16 0.773 -3.091 -1.041 1.00 14.53 C ATOM 210 CZ2 TRP A 16 -1.471 -1.778 -2.151 1.00 43.22 C ATOM 211 CZ3 TRP A 16 -0.288 -2.689 -0.254 1.00 45.44 C ATOM 212 CH2 TRP A 16 -1.399 -2.039 -0.810 1.00 42.54 C ATOM 0 H TRP A 16 4.915 -5.266 -3.396 1.00 12.04 H new ATOM 0 HA TRP A 16 2.553 -5.266 -1.929 1.00 41.24 H new ATOM 0 HB2 TRP A 16 3.592 -3.232 -2.746 1.00 44.42 H new ATOM 0 HB3 TRP A 16 3.422 -3.746 -4.413 1.00 44.42 H new ATOM 0 HD1 TRP A 16 1.418 -2.651 -5.623 1.00 15.11 H new ATOM 0 HE1 TRP A 16 -0.856 -1.619 -4.951 1.00 53.41 H new ATOM 0 HE3 TRP A 16 1.623 -3.593 -0.603 1.00 14.53 H new ATOM 0 HZ2 TRP A 16 -2.327 -1.276 -2.578 1.00 43.22 H new ATOM 0 HZ3 TRP A 16 -0.262 -2.879 0.809 1.00 45.44 H new ATOM 0 HH2 TRP A 16 -2.213 -1.739 -0.167 1.00 42.54 H new ATOM 223 N GLU A 17 2.236 -6.466 -4.970 1.00 0.32 N ATOM 224 CA GLU A 17 1.338 -7.197 -5.857 1.00 31.12 C ATOM 225 C GLU A 17 1.267 -8.670 -5.466 1.00 52.25 C ATOM 226 O GLU A 17 0.488 -9.438 -6.029 1.00 11.03 O ATOM 227 CB GLU A 17 1.800 -7.066 -7.309 1.00 35.11 C ATOM 228 CG GLU A 17 1.529 -5.698 -7.913 1.00 32.12 C ATOM 229 CD GLU A 17 1.327 -5.754 -9.415 1.00 11.01 C ATOM 230 OE1 GLU A 17 0.639 -6.682 -9.889 1.00 50.25 O ATOM 231 OE2 GLU A 17 1.857 -4.867 -10.118 1.00 75.42 O ATOM 0 H GLU A 17 3.188 -6.364 -5.323 1.00 0.32 H new ATOM 0 HA GLU A 17 0.342 -6.764 -5.760 1.00 31.12 H new ATOM 0 HB2 GLU A 17 2.869 -7.272 -7.361 1.00 35.11 H new ATOM 0 HB3 GLU A 17 1.300 -7.825 -7.910 1.00 35.11 H new ATOM 0 HG2 GLU A 17 0.643 -5.268 -7.447 1.00 32.12 H new ATOM 0 HG3 GLU A 17 2.363 -5.033 -7.687 1.00 32.12 H new ATOM 238 N LYS A 18 2.088 -9.058 -4.495 1.00 22.13 N ATOM 239 CA LYS A 18 2.120 -10.438 -4.025 1.00 4.22 C ATOM 240 C LYS A 18 0.973 -10.711 -3.058 1.00 43.31 C ATOM 241 O LYS A 18 0.622 -11.864 -2.806 1.00 71.14 O ATOM 242 CB LYS A 18 3.457 -10.735 -3.343 1.00 34.44 C ATOM 243 CG LYS A 18 3.898 -12.183 -3.474 1.00 11.21 C ATOM 244 CD LYS A 18 3.650 -12.959 -2.191 1.00 23.21 C ATOM 245 CE LYS A 18 4.396 -14.284 -2.188 1.00 31.32 C ATOM 246 NZ LYS A 18 3.843 -15.236 -3.192 1.00 43.35 N ATOM 0 H LYS A 18 2.740 -8.435 -4.018 1.00 22.13 H new ATOM 0 HA LYS A 18 2.006 -11.092 -4.889 1.00 4.22 H new ATOM 0 HB2 LYS A 18 4.225 -10.090 -3.771 1.00 34.44 H new ATOM 0 HB3 LYS A 18 3.380 -10.481 -2.286 1.00 34.44 H new ATOM 0 HG2 LYS A 18 3.360 -12.655 -4.296 1.00 11.21 H new ATOM 0 HG3 LYS A 18 4.958 -12.220 -3.724 1.00 11.21 H new ATOM 0 HD2 LYS A 18 3.965 -12.361 -1.336 1.00 23.21 H new ATOM 0 HD3 LYS A 18 2.582 -13.142 -2.076 1.00 23.21 H new ATOM 0 HE2 LYS A 18 5.451 -14.107 -2.398 1.00 31.32 H new ATOM 0 HE3 LYS A 18 4.339 -14.730 -1.195 1.00 31.32 H new ATOM 0 HZ1 LYS A 18 4.379 -16.127 -3.158 1.00 43.35 H new ATOM 0 HZ2 LYS A 18 2.843 -15.425 -2.977 1.00 43.35 H new ATOM 0 HZ3 LYS A 18 3.920 -14.822 -4.143 1.00 43.35 H new ATOM 260 N ILE A 19 0.390 -9.643 -2.522 1.00 22.03 N ATOM 261 CA ILE A 19 -0.719 -9.769 -1.585 1.00 1.21 C ATOM 262 C ILE A 19 -2.048 -9.909 -2.322 1.00 55.03 C ATOM 263 O ILE A 19 -2.354 -9.129 -3.225 1.00 75.52 O ATOM 264 CB ILE A 19 -0.796 -8.557 -0.638 1.00 21.14 C ATOM 265 CG1 ILE A 19 0.547 -8.345 0.064 1.00 44.42 C ATOM 266 CG2 ILE A 19 -1.909 -8.751 0.381 1.00 60.32 C ATOM 267 CD1 ILE A 19 1.168 -6.994 -0.214 1.00 62.44 C ATOM 0 H ILE A 19 0.667 -8.682 -2.721 1.00 22.03 H new ATOM 0 HA ILE A 19 -0.535 -10.668 -0.997 1.00 1.21 H new ATOM 0 HB ILE A 19 -1.021 -7.668 -1.227 1.00 21.14 H new ATOM 0 HG12 ILE A 19 0.407 -8.457 1.139 1.00 44.42 H new ATOM 0 HG13 ILE A 19 1.239 -9.126 -0.251 1.00 44.42 H new ATOM 0 HG21 ILE A 19 -1.951 -7.886 1.043 1.00 60.32 H new ATOM 0 HG22 ILE A 19 -2.862 -8.858 -0.137 1.00 60.32 H new ATOM 0 HG23 ILE A 19 -1.713 -9.648 0.968 1.00 60.32 H new ATOM 0 HD11 ILE A 19 2.117 -6.914 0.316 1.00 62.44 H new ATOM 0 HD12 ILE A 19 1.340 -6.886 -1.285 1.00 62.44 H new ATOM 0 HD13 ILE A 19 0.495 -6.207 0.127 1.00 62.44 H new ATOM 279 N ARG A 20 -2.833 -10.907 -1.930 1.00 42.23 N ATOM 280 CA ARG A 20 -4.128 -11.149 -2.552 1.00 64.14 C ATOM 281 C ARG A 20 -5.230 -10.372 -1.835 1.00 35.25 C ATOM 282 O ARG A 20 -5.192 -10.203 -0.616 1.00 73.13 O ATOM 283 CB ARG A 20 -4.453 -12.644 -2.538 1.00 1.33 C ATOM 284 CG ARG A 20 -3.791 -13.421 -3.665 1.00 54.01 C ATOM 285 CD ARG A 20 -3.629 -14.891 -3.308 1.00 50.42 C ATOM 286 NE ARG A 20 -2.407 -15.459 -3.871 1.00 22.15 N ATOM 287 CZ ARG A 20 -2.301 -15.869 -5.131 1.00 50.33 C ATOM 288 NH1 ARG A 20 -3.336 -15.772 -5.952 1.00 2.02 N ATOM 289 NH2 ARG A 20 -1.156 -16.376 -5.569 1.00 1.13 N ATOM 0 H ARG A 20 -2.594 -11.561 -1.184 1.00 42.23 H new ATOM 0 HA ARG A 20 -4.077 -10.804 -3.585 1.00 64.14 H new ATOM 0 HB2 ARG A 20 -4.139 -13.067 -1.583 1.00 1.33 H new ATOM 0 HB3 ARG A 20 -5.533 -12.773 -2.604 1.00 1.33 H new ATOM 0 HG2 ARG A 20 -4.389 -13.329 -4.572 1.00 54.01 H new ATOM 0 HG3 ARG A 20 -2.814 -12.988 -3.882 1.00 54.01 H new ATOM 0 HD2 ARG A 20 -3.614 -15.001 -2.224 1.00 50.42 H new ATOM 0 HD3 ARG A 20 -4.490 -15.450 -3.673 1.00 50.42 H new ATOM 0 HE ARG A 20 -1.591 -15.546 -3.265 1.00 22.15 H new ATOM 0 HH11 ARG A 20 -4.217 -15.382 -5.618 1.00 2.02 H new ATOM 0 HH12 ARG A 20 -3.252 -16.087 -6.918 1.00 2.02 H new ATOM 0 HH21 ARG A 20 -0.357 -16.451 -4.939 1.00 1.13 H new ATOM 0 HH22 ARG A 20 -1.074 -16.691 -6.536 1.00 1.13 H new ATOM 303 N LEU A 21 -6.208 -9.902 -2.601 1.00 42.33 N ATOM 304 CA LEU A 21 -7.320 -9.143 -2.039 1.00 5.34 C ATOM 305 C LEU A 21 -8.236 -10.044 -1.219 1.00 73.15 C ATOM 306 O LEU A 21 -8.644 -9.689 -0.112 1.00 34.40 O ATOM 307 CB LEU A 21 -8.118 -8.468 -3.157 1.00 53.31 C ATOM 308 CG LEU A 21 -7.339 -7.497 -4.046 1.00 42.32 C ATOM 309 CD1 LEU A 21 -8.280 -6.776 -5.000 1.00 73.23 C ATOM 310 CD2 LEU A 21 -6.570 -6.497 -3.196 1.00 72.44 C ATOM 0 H LEU A 21 -6.254 -10.033 -3.612 1.00 42.33 H new ATOM 0 HA LEU A 21 -6.909 -8.378 -1.380 1.00 5.34 H new ATOM 0 HB2 LEU A 21 -8.547 -9.245 -3.790 1.00 53.31 H new ATOM 0 HB3 LEU A 21 -8.951 -7.928 -2.707 1.00 53.31 H new ATOM 0 HG LEU A 21 -6.623 -8.068 -4.637 1.00 42.32 H new ATOM 0 HD11 LEU A 21 -7.709 -6.089 -5.625 1.00 73.23 H new ATOM 0 HD12 LEU A 21 -8.787 -7.505 -5.632 1.00 73.23 H new ATOM 0 HD13 LEU A 21 -9.020 -6.216 -4.428 1.00 73.23 H new ATOM 0 HD21 LEU A 21 -6.022 -5.814 -3.845 1.00 72.44 H new ATOM 0 HD22 LEU A 21 -7.268 -5.930 -2.580 1.00 72.44 H new ATOM 0 HD23 LEU A 21 -5.868 -7.029 -2.554 1.00 72.44 H new ATOM 322 N ARG A 22 -8.554 -11.212 -1.766 1.00 32.20 N ATOM 323 CA ARG A 22 -9.421 -12.166 -1.084 1.00 13.21 C ATOM 324 C ARG A 22 -8.617 -13.351 -0.558 1.00 21.32 C ATOM 325 O ARG A 22 -7.483 -13.595 -0.970 1.00 20.41 O ATOM 326 CB ARG A 22 -10.518 -12.658 -2.030 1.00 55.10 C ATOM 327 CG ARG A 22 -11.864 -11.993 -1.799 1.00 1.23 C ATOM 328 CD ARG A 22 -12.962 -12.659 -2.615 1.00 75.12 C ATOM 329 NE ARG A 22 -13.579 -13.770 -1.897 1.00 44.13 N ATOM 330 CZ ARG A 22 -14.426 -14.628 -2.456 1.00 40.33 C ATOM 331 NH1 ARG A 22 -14.754 -14.502 -3.735 1.00 55.01 N ATOM 332 NH2 ARG A 22 -14.947 -15.613 -1.736 1.00 32.01 N ATOM 0 H ARG A 22 -8.224 -11.521 -2.680 1.00 32.20 H new ATOM 0 HA ARG A 22 -9.883 -11.658 -0.237 1.00 13.21 H new ATOM 0 HB2 ARG A 22 -10.206 -12.479 -3.059 1.00 55.10 H new ATOM 0 HB3 ARG A 22 -10.630 -13.736 -1.913 1.00 55.10 H new ATOM 0 HG2 ARG A 22 -12.117 -12.040 -0.740 1.00 1.23 H new ATOM 0 HG3 ARG A 22 -11.800 -10.938 -2.065 1.00 1.23 H new ATOM 0 HD2 ARG A 22 -13.724 -11.922 -2.867 1.00 75.12 H new ATOM 0 HD3 ARG A 22 -12.546 -13.021 -3.555 1.00 75.12 H new ATOM 0 HE ARG A 22 -13.347 -13.895 -0.912 1.00 44.13 H new ATOM 0 HH11 ARG A 22 -14.356 -13.745 -4.291 1.00 55.01 H new ATOM 0 HH12 ARG A 22 -15.404 -15.162 -4.162 1.00 55.01 H new ATOM 0 HH21 ARG A 22 -14.698 -15.713 -0.752 1.00 32.01 H new ATOM 0 HH22 ARG A 22 -15.597 -16.271 -2.166 1.00 32.01 H new ATOM 346 N PRO A 23 -9.217 -14.107 0.374 1.00 42.12 N ATOM 347 CA PRO A 23 -8.576 -15.280 0.976 1.00 52.33 C ATOM 348 C PRO A 23 -8.436 -16.434 -0.010 1.00 42.54 C ATOM 349 O PRO A 23 -7.361 -17.013 -0.154 1.00 34.53 O ATOM 350 CB PRO A 23 -9.527 -15.659 2.114 1.00 21.42 C ATOM 351 CG PRO A 23 -10.854 -15.128 1.691 1.00 72.12 C ATOM 352 CD PRO A 23 -10.568 -13.874 0.911 1.00 61.35 C ATOM 0 HA PRO A 23 -7.560 -15.065 1.306 1.00 52.33 H new ATOM 0 HB2 PRO A 23 -9.561 -16.739 2.259 1.00 21.42 H new ATOM 0 HB3 PRO A 23 -9.208 -15.220 3.059 1.00 21.42 H new ATOM 0 HG2 PRO A 23 -11.388 -15.855 1.079 1.00 72.12 H new ATOM 0 HG3 PRO A 23 -11.483 -14.915 2.555 1.00 72.12 H new ATOM 0 HD2 PRO A 23 -11.296 -13.721 0.114 1.00 61.35 H new ATOM 0 HD3 PRO A 23 -10.601 -12.989 1.547 1.00 61.35 H new ATOM 360 N GLY A 24 -9.532 -16.763 -0.687 1.00 21.30 N ATOM 361 CA GLY A 24 -9.510 -17.848 -1.652 1.00 42.21 C ATOM 362 C GLY A 24 -9.794 -17.374 -3.063 1.00 31.11 C ATOM 363 O GLY A 24 -10.391 -18.097 -3.860 1.00 71.45 O ATOM 0 H GLY A 24 -10.434 -16.298 -0.585 1.00 21.30 H new ATOM 0 HA2 GLY A 24 -8.535 -18.335 -1.625 1.00 42.21 H new ATOM 0 HA3 GLY A 24 -10.249 -18.598 -1.368 1.00 42.21 H new ATOM 367 N GLY A 25 -9.367 -16.153 -3.374 1.00 62.44 N ATOM 368 CA GLY A 25 -9.591 -15.605 -4.699 1.00 70.14 C ATOM 369 C GLY A 25 -8.316 -15.527 -5.516 1.00 44.13 C ATOM 370 O GLY A 25 -7.299 -16.117 -5.151 1.00 12.51 O ATOM 0 H GLY A 25 -8.871 -15.535 -2.732 1.00 62.44 H new ATOM 0 HA2 GLY A 25 -10.319 -16.221 -5.226 1.00 70.14 H new ATOM 0 HA3 GLY A 25 -10.023 -14.608 -4.609 1.00 70.14 H new ATOM 374 N LYS A 26 -8.372 -14.800 -6.626 1.00 13.44 N ATOM 375 CA LYS A 26 -7.214 -14.646 -7.499 1.00 22.44 C ATOM 376 C LYS A 26 -6.854 -13.175 -7.673 1.00 4.21 C ATOM 377 O LYS A 26 -5.916 -12.835 -8.394 1.00 15.44 O ATOM 378 CB LYS A 26 -7.492 -15.280 -8.866 1.00 41.33 C ATOM 379 CG LYS A 26 -6.306 -16.034 -9.438 1.00 33.32 C ATOM 380 CD LYS A 26 -6.653 -17.487 -9.720 1.00 73.22 C ATOM 381 CE LYS A 26 -5.663 -18.119 -10.686 1.00 71.14 C ATOM 382 NZ LYS A 26 -5.886 -17.665 -12.086 1.00 55.51 N ATOM 0 H LYS A 26 -9.207 -14.308 -6.943 1.00 13.44 H new ATOM 0 HA LYS A 26 -6.370 -15.155 -7.034 1.00 22.44 H new ATOM 0 HB2 LYS A 26 -8.337 -15.963 -8.775 1.00 41.33 H new ATOM 0 HB3 LYS A 26 -7.787 -14.499 -9.566 1.00 41.33 H new ATOM 0 HG2 LYS A 26 -5.977 -15.552 -10.359 1.00 33.32 H new ATOM 0 HG3 LYS A 26 -5.472 -15.987 -8.738 1.00 33.32 H new ATOM 0 HD2 LYS A 26 -6.660 -18.048 -8.786 1.00 73.22 H new ATOM 0 HD3 LYS A 26 -7.659 -17.548 -10.136 1.00 73.22 H new ATOM 0 HE2 LYS A 26 -4.647 -17.868 -10.381 1.00 71.14 H new ATOM 0 HE3 LYS A 26 -5.751 -19.204 -10.638 1.00 71.14 H new ATOM 0 HZ1 LYS A 26 -5.297 -18.229 -12.732 1.00 55.51 H new ATOM 0 HZ2 LYS A 26 -6.888 -17.788 -12.335 1.00 55.51 H new ATOM 0 HZ3 LYS A 26 -5.629 -16.661 -12.170 1.00 55.51 H new ATOM 396 N LYS A 27 -7.605 -12.304 -7.008 1.00 42.25 N ATOM 397 CA LYS A 27 -7.365 -10.868 -7.085 1.00 22.02 C ATOM 398 C LYS A 27 -6.256 -10.449 -6.125 1.00 22.23 C ATOM 399 O LYS A 27 -6.079 -11.053 -5.067 1.00 4.12 O ATOM 400 CB LYS A 27 -8.648 -10.098 -6.767 1.00 12.53 C ATOM 401 CG LYS A 27 -9.048 -9.109 -7.850 1.00 63.21 C ATOM 402 CD LYS A 27 -9.417 -9.817 -9.142 1.00 43.13 C ATOM 403 CE LYS A 27 -10.723 -9.287 -9.715 1.00 63.34 C ATOM 404 NZ LYS A 27 -11.908 -9.870 -9.025 1.00 73.01 N ATOM 0 H LYS A 27 -8.387 -12.568 -6.408 1.00 42.25 H new ATOM 0 HA LYS A 27 -7.049 -10.632 -8.101 1.00 22.02 H new ATOM 0 HB2 LYS A 27 -9.461 -10.809 -6.617 1.00 12.53 H new ATOM 0 HB3 LYS A 27 -8.517 -9.562 -5.827 1.00 12.53 H new ATOM 0 HG2 LYS A 27 -9.894 -8.514 -7.506 1.00 63.21 H new ATOM 0 HG3 LYS A 27 -8.226 -8.418 -8.035 1.00 63.21 H new ATOM 0 HD2 LYS A 27 -8.618 -9.685 -9.872 1.00 43.13 H new ATOM 0 HD3 LYS A 27 -9.507 -10.888 -8.959 1.00 43.13 H new ATOM 0 HE2 LYS A 27 -10.746 -8.201 -9.622 1.00 63.34 H new ATOM 0 HE3 LYS A 27 -10.773 -9.517 -10.779 1.00 63.34 H new ATOM 0 HZ1 LYS A 27 -12.778 -9.484 -9.444 1.00 73.01 H new ATOM 0 HZ2 LYS A 27 -11.900 -10.904 -9.135 1.00 73.01 H new ATOM 0 HZ3 LYS A 27 -11.874 -9.629 -8.014 1.00 73.01 H new ATOM 418 N GLN A 28 -5.515 -9.413 -6.501 1.00 32.21 N ATOM 419 CA GLN A 28 -4.424 -8.914 -5.671 1.00 42.21 C ATOM 420 C GLN A 28 -4.420 -7.389 -5.637 1.00 30.10 C ATOM 421 O GLN A 28 -5.359 -6.745 -6.104 1.00 45.34 O ATOM 422 CB GLN A 28 -3.081 -9.428 -6.194 1.00 72.14 C ATOM 423 CG GLN A 28 -3.017 -10.941 -6.321 1.00 61.22 C ATOM 424 CD GLN A 28 -2.859 -11.400 -7.758 1.00 41.40 C ATOM 425 OE1 GLN A 28 -3.719 -10.899 -8.637 1.00 64.24 O flip ATOM 426 NE2 GLN A 28 -1.973 -12.195 -8.074 1.00 73.14 N flip ATOM 0 H GLN A 28 -5.649 -8.903 -7.374 1.00 32.21 H new ATOM 0 HA GLN A 28 -4.575 -9.282 -4.656 1.00 42.21 H new ATOM 0 HB2 GLN A 28 -2.885 -8.981 -7.169 1.00 72.14 H new ATOM 0 HB3 GLN A 28 -2.288 -9.094 -5.525 1.00 72.14 H new ATOM 0 HG2 GLN A 28 -2.182 -11.316 -5.730 1.00 61.22 H new ATOM 0 HG3 GLN A 28 -3.925 -11.376 -5.902 1.00 61.22 H new ATOM 0 HE21 GLN A 28 -1.334 -12.555 -7.365 1.00 73.14 H new ATOM 0 HE22 GLN A 28 -1.878 -12.494 -9.045 1.00 73.14 H new ATOM 435 N TYR A 29 -3.357 -6.818 -5.081 1.00 14.25 N ATOM 436 CA TYR A 29 -3.231 -5.368 -4.984 1.00 21.34 C ATOM 437 C TYR A 29 -2.402 -4.815 -6.139 1.00 2.51 C ATOM 438 O TYR A 29 -1.504 -5.482 -6.650 1.00 33.04 O ATOM 439 CB TYR A 29 -2.592 -4.980 -3.650 1.00 15.31 C ATOM 440 CG TYR A 29 -3.545 -5.048 -2.479 1.00 43.21 C ATOM 441 CD1 TYR A 29 -4.420 -4.003 -2.208 1.00 54.23 C ATOM 442 CD2 TYR A 29 -3.572 -6.157 -1.643 1.00 61.11 C ATOM 443 CE1 TYR A 29 -5.293 -4.059 -1.139 1.00 63.45 C ATOM 444 CE2 TYR A 29 -4.443 -6.224 -0.572 1.00 31.13 C ATOM 445 CZ TYR A 29 -5.300 -5.172 -0.324 1.00 65.50 C ATOM 446 OH TYR A 29 -6.168 -5.235 0.743 1.00 20.05 O ATOM 0 H TYR A 29 -2.570 -7.337 -4.691 1.00 14.25 H new ATOM 0 HA TYR A 29 -4.230 -4.936 -5.040 1.00 21.34 H new ATOM 0 HB2 TYR A 29 -1.745 -5.639 -3.457 1.00 15.31 H new ATOM 0 HB3 TYR A 29 -2.197 -3.967 -3.727 1.00 15.31 H new ATOM 0 HD1 TYR A 29 -4.417 -3.131 -2.845 1.00 54.23 H new ATOM 0 HD2 TYR A 29 -2.901 -6.981 -1.833 1.00 61.11 H new ATOM 0 HE1 TYR A 29 -5.965 -3.237 -0.943 1.00 63.45 H new ATOM 0 HE2 TYR A 29 -4.453 -7.095 0.067 1.00 31.13 H new ATOM 0 HH TYR A 29 -6.434 -6.166 0.894 1.00 20.05 H new ATOM 456 N LYS A 30 -2.711 -3.587 -6.544 1.00 21.51 N ATOM 457 CA LYS A 30 -1.996 -2.939 -7.637 1.00 31.22 C ATOM 458 C LYS A 30 -1.794 -1.455 -7.350 1.00 32.02 C ATOM 459 O LYS A 30 -2.329 -0.921 -6.378 1.00 13.22 O ATOM 460 CB LYS A 30 -2.760 -3.116 -8.951 1.00 32.13 C ATOM 461 CG LYS A 30 -2.091 -4.076 -9.920 1.00 41.15 C ATOM 462 CD LYS A 30 -2.217 -3.597 -11.356 1.00 44.13 C ATOM 463 CE LYS A 30 -1.493 -4.526 -12.318 1.00 34.21 C ATOM 464 NZ LYS A 30 -2.266 -4.736 -13.575 1.00 54.44 N ATOM 0 H LYS A 30 -3.452 -3.021 -6.131 1.00 21.51 H new ATOM 0 HA LYS A 30 -1.017 -3.411 -7.727 1.00 31.22 H new ATOM 0 HB2 LYS A 30 -3.765 -3.477 -8.731 1.00 32.13 H new ATOM 0 HB3 LYS A 30 -2.868 -2.144 -9.432 1.00 32.13 H new ATOM 0 HG2 LYS A 30 -1.037 -4.180 -9.661 1.00 41.15 H new ATOM 0 HG3 LYS A 30 -2.542 -5.064 -9.824 1.00 41.15 H new ATOM 0 HD2 LYS A 30 -3.270 -3.537 -11.630 1.00 44.13 H new ATOM 0 HD3 LYS A 30 -1.807 -2.591 -11.442 1.00 44.13 H new ATOM 0 HE2 LYS A 30 -0.515 -4.109 -12.559 1.00 34.21 H new ATOM 0 HE3 LYS A 30 -1.320 -5.487 -11.834 1.00 34.21 H new ATOM 0 HZ1 LYS A 30 -1.739 -5.375 -14.204 1.00 54.44 H new ATOM 0 HZ2 LYS A 30 -3.189 -5.157 -13.348 1.00 54.44 H new ATOM 0 HZ3 LYS A 30 -2.410 -3.822 -14.051 1.00 54.44 H new ATOM 478 N LEU A 31 -1.020 -0.793 -8.204 1.00 53.44 N ATOM 479 CA LEU A 31 -0.748 0.632 -8.042 1.00 24.32 C ATOM 480 C LEU A 31 -2.043 1.414 -7.839 1.00 71.43 C ATOM 481 O LEU A 31 -2.072 2.412 -7.118 1.00 32.02 O ATOM 482 CB LEU A 31 -0.001 1.170 -9.265 1.00 45.34 C ATOM 483 CG LEU A 31 1.510 0.947 -9.278 1.00 14.10 C ATOM 484 CD1 LEU A 31 2.059 1.093 -10.690 1.00 70.12 C ATOM 485 CD2 LEU A 31 2.202 1.919 -8.332 1.00 31.42 C ATOM 0 H LEU A 31 -0.570 -1.219 -9.014 1.00 53.44 H new ATOM 0 HA LEU A 31 -0.125 0.760 -7.157 1.00 24.32 H new ATOM 0 HB2 LEU A 31 -0.424 0.708 -10.157 1.00 45.34 H new ATOM 0 HB3 LEU A 31 -0.191 2.241 -9.340 1.00 45.34 H new ATOM 0 HG LEU A 31 1.711 -0.068 -8.935 1.00 14.10 H new ATOM 0 HD11 LEU A 31 3.137 0.931 -10.680 1.00 70.12 H new ATOM 0 HD12 LEU A 31 1.587 0.357 -11.342 1.00 70.12 H new ATOM 0 HD13 LEU A 31 1.846 2.096 -11.061 1.00 70.12 H new ATOM 0 HD21 LEU A 31 3.278 1.745 -8.355 1.00 31.42 H new ATOM 0 HD22 LEU A 31 1.993 2.942 -8.645 1.00 31.42 H new ATOM 0 HD23 LEU A 31 1.831 1.767 -7.318 1.00 31.42 H new ATOM 497 N LYS A 32 -3.114 0.951 -8.475 1.00 13.33 N ATOM 498 CA LYS A 32 -4.413 1.603 -8.362 1.00 54.45 C ATOM 499 C LYS A 32 -4.734 1.927 -6.906 1.00 32.24 C ATOM 500 O LYS A 32 -5.309 2.973 -6.605 1.00 40.31 O ATOM 501 CB LYS A 32 -5.507 0.711 -8.950 1.00 21.53 C ATOM 502 CG LYS A 32 -6.220 1.327 -10.142 1.00 11.00 C ATOM 503 CD LYS A 32 -7.708 1.491 -9.878 1.00 54.31 C ATOM 504 CE LYS A 32 -8.008 2.814 -9.189 1.00 73.11 C ATOM 505 NZ LYS A 32 -8.258 3.907 -10.170 1.00 21.33 N ATOM 0 H LYS A 32 -3.108 0.126 -9.075 1.00 13.33 H new ATOM 0 HA LYS A 32 -4.373 2.536 -8.924 1.00 54.45 H new ATOM 0 HB2 LYS A 32 -5.066 -0.239 -9.252 1.00 21.53 H new ATOM 0 HB3 LYS A 32 -6.240 0.490 -8.174 1.00 21.53 H new ATOM 0 HG2 LYS A 32 -5.780 2.298 -10.368 1.00 11.00 H new ATOM 0 HG3 LYS A 32 -6.072 0.698 -11.020 1.00 11.00 H new ATOM 0 HD2 LYS A 32 -8.254 1.438 -10.820 1.00 54.31 H new ATOM 0 HD3 LYS A 32 -8.062 0.668 -9.257 1.00 54.31 H new ATOM 0 HE2 LYS A 32 -8.879 2.698 -8.545 1.00 73.11 H new ATOM 0 HE3 LYS A 32 -7.171 3.087 -8.547 1.00 73.11 H new ATOM 0 HZ1 LYS A 32 -8.458 4.791 -9.661 1.00 21.33 H new ATOM 0 HZ2 LYS A 32 -7.417 4.035 -10.769 1.00 21.33 H new ATOM 0 HZ3 LYS A 32 -9.073 3.659 -10.766 1.00 21.33 H new ATOM 519 N HIS A 33 -4.356 1.024 -6.007 1.00 4.02 N ATOM 520 CA HIS A 33 -4.603 1.214 -4.581 1.00 52.51 C ATOM 521 C HIS A 33 -3.570 2.162 -3.975 1.00 65.33 C ATOM 522 O HIS A 33 -3.991 3.083 -3.275 1.00 64.52 O ATOM 523 CB HIS A 33 -4.568 -0.129 -3.852 1.00 24.10 C ATOM 524 CG HIS A 33 -5.439 -1.173 -4.481 1.00 63.14 C ATOM 525 ND1 HIS A 33 -4.936 -2.288 -5.118 1.00 63.11 N ATOM 526 CD2 HIS A 33 -6.787 -1.269 -4.567 1.00 13.40 C ATOM 527 CE1 HIS A 33 -5.938 -3.023 -5.570 1.00 55.34 C ATOM 528 NE2 HIS A 33 -7.071 -2.426 -5.247 1.00 61.12 N ATOM 0 H HIS A 33 -3.878 0.154 -6.240 1.00 4.02 H new ATOM 0 HA HIS A 33 -5.592 1.656 -4.463 1.00 52.51 H new ATOM 0 HB2 HIS A 33 -3.541 -0.492 -3.825 1.00 24.10 H new ATOM 0 HB3 HIS A 33 -4.881 0.019 -2.818 1.00 24.10 H new ATOM 0 HD2 HIS A 33 -7.505 -0.565 -4.173 1.00 13.40 H new ATOM 0 HE1 HIS A 33 -5.846 -3.953 -6.111 1.00 55.34 H new ATOM 0 HE2 HIS A 33 -8.006 -2.770 -5.467 1.00 61.12 H new ATOM 536 N ILE A 34 -2.278 1.967 -4.216 1.00 2.12 N ATOM 537 CA ILE A 34 -1.257 2.846 -3.659 1.00 25.12 C ATOM 538 C ILE A 34 -1.580 4.310 -3.940 1.00 45.43 C ATOM 539 O ILE A 34 -1.232 5.194 -3.156 1.00 3.25 O ATOM 540 CB ILE A 34 0.136 2.522 -4.228 1.00 32.14 C ATOM 541 CG1 ILE A 34 0.555 1.104 -3.832 1.00 12.52 C ATOM 542 CG2 ILE A 34 1.157 3.538 -3.740 1.00 72.21 C ATOM 543 CD1 ILE A 34 1.617 0.514 -4.734 1.00 65.35 C ATOM 0 H ILE A 34 -1.914 1.209 -4.793 1.00 2.12 H new ATOM 0 HA ILE A 34 -1.249 2.678 -2.582 1.00 25.12 H new ATOM 0 HB ILE A 34 0.090 2.577 -5.316 1.00 32.14 H new ATOM 0 HG12 ILE A 34 0.926 1.116 -2.807 1.00 12.52 H new ATOM 0 HG13 ILE A 34 -0.322 0.457 -3.846 1.00 12.52 H new ATOM 0 HG21 ILE A 34 2.137 3.295 -4.151 1.00 72.21 H new ATOM 0 HG22 ILE A 34 0.863 4.535 -4.067 1.00 72.21 H new ATOM 0 HG23 ILE A 34 1.204 3.513 -2.651 1.00 72.21 H new ATOM 0 HD11 ILE A 34 1.865 -0.492 -4.394 1.00 65.35 H new ATOM 0 HD12 ILE A 34 1.242 0.469 -5.757 1.00 65.35 H new ATOM 0 HD13 ILE A 34 2.510 1.139 -4.702 1.00 65.35 H new ATOM 555 N VAL A 35 -2.250 4.559 -5.061 1.00 33.30 N ATOM 556 CA VAL A 35 -2.623 5.915 -5.443 1.00 55.41 C ATOM 557 C VAL A 35 -3.896 6.358 -4.729 1.00 34.25 C ATOM 558 O VAL A 35 -3.951 7.446 -4.156 1.00 62.40 O ATOM 559 CB VAL A 35 -2.834 6.031 -6.965 1.00 73.03 C ATOM 560 CG1 VAL A 35 -3.334 7.421 -7.331 1.00 63.55 C ATOM 561 CG2 VAL A 35 -1.546 5.708 -7.707 1.00 71.23 C ATOM 0 H VAL A 35 -2.545 3.839 -5.720 1.00 33.30 H new ATOM 0 HA VAL A 35 -1.800 6.565 -5.147 1.00 55.41 H new ATOM 0 HB VAL A 35 -3.592 5.307 -7.265 1.00 73.03 H new ATOM 0 HG11 VAL A 35 -3.477 7.484 -8.410 1.00 63.55 H new ATOM 0 HG12 VAL A 35 -4.282 7.611 -6.827 1.00 63.55 H new ATOM 0 HG13 VAL A 35 -2.602 8.165 -7.018 1.00 63.55 H new ATOM 0 HG21 VAL A 35 -1.713 5.795 -8.781 1.00 71.23 H new ATOM 0 HG22 VAL A 35 -0.766 6.407 -7.403 1.00 71.23 H new ATOM 0 HG23 VAL A 35 -1.234 4.691 -7.469 1.00 71.23 H new ATOM 571 N TRP A 36 -4.914 5.506 -4.768 1.00 4.54 N ATOM 572 CA TRP A 36 -6.187 5.810 -4.125 1.00 61.24 C ATOM 573 C TRP A 36 -5.991 6.099 -2.641 1.00 63.02 C ATOM 574 O TRP A 36 -6.596 7.022 -2.094 1.00 62.20 O ATOM 575 CB TRP A 36 -7.164 4.646 -4.306 1.00 53.23 C ATOM 576 CG TRP A 36 -8.465 4.844 -3.588 1.00 15.24 C ATOM 577 CD1 TRP A 36 -9.542 5.559 -4.029 1.00 60.14 C ATOM 578 CD2 TRP A 36 -8.823 4.324 -2.303 1.00 22.33 C ATOM 579 NE1 TRP A 36 -10.549 5.514 -3.094 1.00 3.03 N ATOM 580 CE2 TRP A 36 -10.133 4.762 -2.028 1.00 61.20 C ATOM 581 CE3 TRP A 36 -8.166 3.529 -1.361 1.00 54.22 C ATOM 582 CZ2 TRP A 36 -10.795 4.431 -0.848 1.00 13.11 C ATOM 583 CZ3 TRP A 36 -8.825 3.202 -0.191 1.00 72.11 C ATOM 584 CH2 TRP A 36 -10.128 3.652 0.058 1.00 1.53 C ATOM 0 H TRP A 36 -4.883 4.601 -5.237 1.00 4.54 H new ATOM 0 HA TRP A 36 -6.602 6.700 -4.598 1.00 61.24 H new ATOM 0 HB2 TRP A 36 -7.361 4.509 -5.369 1.00 53.23 H new ATOM 0 HB3 TRP A 36 -6.696 3.729 -3.948 1.00 53.23 H new ATOM 0 HD1 TRP A 36 -9.595 6.082 -4.972 1.00 60.14 H new ATOM 0 HE1 TRP A 36 -11.459 5.967 -3.180 1.00 3.03 H new ATOM 0 HE3 TRP A 36 -7.162 3.176 -1.544 1.00 54.22 H new ATOM 0 HZ2 TRP A 36 -11.800 4.777 -0.655 1.00 13.11 H new ATOM 0 HZ3 TRP A 36 -8.326 2.588 0.545 1.00 72.11 H new ATOM 0 HH2 TRP A 36 -10.615 3.379 0.982 1.00 1.53 H new ATOM 595 N ALA A 37 -5.143 5.306 -1.994 1.00 24.35 N ATOM 596 CA ALA A 37 -4.867 5.480 -0.573 1.00 23.25 C ATOM 597 C ALA A 37 -4.105 6.775 -0.317 1.00 41.44 C ATOM 598 O ALA A 37 -4.523 7.602 0.494 1.00 32.31 O ATOM 599 CB ALA A 37 -4.083 4.290 -0.039 1.00 60.41 C ATOM 0 H ALA A 37 -4.635 4.537 -2.431 1.00 24.35 H new ATOM 0 HA ALA A 37 -5.820 5.540 -0.047 1.00 23.25 H new ATOM 0 HB1 ALA A 37 -3.884 4.433 1.023 1.00 60.41 H new ATOM 0 HB2 ALA A 37 -4.664 3.379 -0.180 1.00 60.41 H new ATOM 0 HB3 ALA A 37 -3.139 4.205 -0.577 1.00 60.41 H new ATOM 605 N SER A 38 -2.986 6.947 -1.013 1.00 51.01 N ATOM 606 CA SER A 38 -2.163 8.140 -0.857 1.00 44.41 C ATOM 607 C SER A 38 -2.983 9.402 -1.114 1.00 71.33 C ATOM 608 O SER A 38 -2.760 10.438 -0.487 1.00 25.12 O ATOM 609 CB SER A 38 -0.969 8.092 -1.811 1.00 34.51 C ATOM 610 OG SER A 38 -1.287 8.687 -3.057 1.00 31.20 O ATOM 0 H SER A 38 -2.628 6.274 -1.691 1.00 51.01 H new ATOM 0 HA SER A 38 -1.797 8.167 0.169 1.00 44.41 H new ATOM 0 HB2 SER A 38 -0.121 8.610 -1.363 1.00 34.51 H new ATOM 0 HB3 SER A 38 -0.665 7.057 -1.966 1.00 34.51 H new ATOM 0 HG SER A 38 -2.082 8.255 -3.432 1.00 31.20 H new ATOM 616 N ARG A 39 -3.931 9.306 -2.040 1.00 34.24 N ATOM 617 CA ARG A 39 -4.783 10.438 -2.382 1.00 73.03 C ATOM 618 C ARG A 39 -5.899 10.608 -1.356 1.00 54.24 C ATOM 619 O ARG A 39 -6.128 11.708 -0.851 1.00 34.44 O ATOM 620 CB ARG A 39 -5.383 10.249 -3.777 1.00 51.11 C ATOM 621 CG ARG A 39 -5.954 11.525 -4.371 1.00 5.30 C ATOM 622 CD ARG A 39 -5.033 12.107 -5.433 1.00 62.42 C ATOM 623 NE ARG A 39 -5.175 13.556 -5.546 1.00 71.30 N ATOM 624 CZ ARG A 39 -6.229 14.150 -6.093 1.00 11.24 C ATOM 625 NH1 ARG A 39 -7.228 13.424 -6.574 1.00 31.14 N ATOM 626 NH2 ARG A 39 -6.285 15.474 -6.161 1.00 42.20 N ATOM 0 H ARG A 39 -4.128 8.455 -2.567 1.00 34.24 H new ATOM 0 HA ARG A 39 -4.168 11.338 -2.377 1.00 73.03 H new ATOM 0 HB2 ARG A 39 -4.614 9.860 -4.444 1.00 51.11 H new ATOM 0 HB3 ARG A 39 -6.171 9.498 -3.726 1.00 51.11 H new ATOM 0 HG2 ARG A 39 -6.931 11.318 -4.809 1.00 5.30 H new ATOM 0 HG3 ARG A 39 -6.108 12.259 -3.580 1.00 5.30 H new ATOM 0 HD2 ARG A 39 -3.999 11.862 -5.190 1.00 62.42 H new ATOM 0 HD3 ARG A 39 -5.252 11.645 -6.396 1.00 62.42 H new ATOM 0 HE ARG A 39 -4.424 14.144 -5.185 1.00 71.30 H new ATOM 0 HH11 ARG A 39 -7.189 12.406 -6.525 1.00 31.14 H new ATOM 0 HH12 ARG A 39 -8.036 13.883 -6.994 1.00 31.14 H new ATOM 0 HH21 ARG A 39 -5.518 16.036 -5.793 1.00 42.20 H new ATOM 0 HH22 ARG A 39 -7.095 15.929 -6.581 1.00 42.20 H new ATOM 640 N GLU A 40 -6.588 9.513 -1.051 1.00 11.21 N ATOM 641 CA GLU A 40 -7.680 9.544 -0.085 1.00 61.42 C ATOM 642 C GLU A 40 -7.226 10.167 1.231 1.00 51.33 C ATOM 643 O GLU A 40 -7.833 11.120 1.723 1.00 4.34 O ATOM 644 CB GLU A 40 -8.209 8.130 0.165 1.00 31.45 C ATOM 645 CG GLU A 40 -9.559 8.098 0.861 1.00 53.42 C ATOM 646 CD GLU A 40 -10.720 8.180 -0.110 1.00 1.40 C ATOM 647 OE1 GLU A 40 -10.601 7.630 -1.225 1.00 4.13 O ATOM 648 OE2 GLU A 40 -11.748 8.795 0.244 1.00 51.02 O ATOM 0 H GLU A 40 -6.410 8.595 -1.458 1.00 11.21 H new ATOM 0 HA GLU A 40 -8.480 10.157 -0.500 1.00 61.42 H new ATOM 0 HB2 GLU A 40 -8.289 7.608 -0.788 1.00 31.45 H new ATOM 0 HB3 GLU A 40 -7.486 7.582 0.769 1.00 31.45 H new ATOM 0 HG2 GLU A 40 -9.641 7.180 1.443 1.00 53.42 H new ATOM 0 HG3 GLU A 40 -9.620 8.928 1.565 1.00 53.42 H new ATOM 655 N LEU A 41 -6.154 9.624 1.797 1.00 52.14 N ATOM 656 CA LEU A 41 -5.617 10.127 3.058 1.00 24.30 C ATOM 657 C LEU A 41 -5.379 11.632 2.987 1.00 71.42 C ATOM 658 O LEU A 41 -5.527 12.340 3.982 1.00 11.14 O ATOM 659 CB LEU A 41 -4.311 9.408 3.400 1.00 70.23 C ATOM 660 CG LEU A 41 -4.404 7.891 3.566 1.00 63.44 C ATOM 661 CD1 LEU A 41 -3.029 7.253 3.431 1.00 4.02 C ATOM 662 CD2 LEU A 41 -5.027 7.537 4.910 1.00 5.44 C ATOM 0 H LEU A 41 -5.639 8.836 1.404 1.00 52.14 H new ATOM 0 HA LEU A 41 -6.349 9.931 3.841 1.00 24.30 H new ATOM 0 HB2 LEU A 41 -3.585 9.624 2.616 1.00 70.23 H new ATOM 0 HB3 LEU A 41 -3.918 9.831 4.324 1.00 70.23 H new ATOM 0 HG LEU A 41 -5.044 7.498 2.776 1.00 63.44 H new ATOM 0 HD11 LEU A 41 -3.115 6.173 3.552 1.00 4.02 H new ATOM 0 HD12 LEU A 41 -2.620 7.476 2.446 1.00 4.02 H new ATOM 0 HD13 LEU A 41 -2.366 7.652 4.198 1.00 4.02 H new ATOM 0 HD21 LEU A 41 -5.085 6.453 5.010 1.00 5.44 H new ATOM 0 HD22 LEU A 41 -4.413 7.943 5.714 1.00 5.44 H new ATOM 0 HD23 LEU A 41 -6.029 7.961 4.969 1.00 5.44 H new ATOM 674 N GLU A 42 -5.011 12.112 1.803 1.00 43.34 N ATOM 675 CA GLU A 42 -4.755 13.533 1.604 1.00 2.44 C ATOM 676 C GLU A 42 -6.003 14.360 1.901 1.00 61.33 C ATOM 677 O GLU A 42 -5.912 15.513 2.323 1.00 35.33 O ATOM 678 CB GLU A 42 -4.288 13.794 0.170 1.00 25.44 C ATOM 679 CG GLU A 42 -3.583 15.127 -0.009 1.00 71.10 C ATOM 680 CD GLU A 42 -4.045 15.870 -1.247 1.00 11.33 C ATOM 681 OE1 GLU A 42 -3.639 15.478 -2.362 1.00 50.55 O ATOM 682 OE2 GLU A 42 -4.813 16.844 -1.102 1.00 12.23 O ATOM 0 H GLU A 42 -4.884 11.539 0.969 1.00 43.34 H new ATOM 0 HA GLU A 42 -3.968 13.833 2.296 1.00 2.44 H new ATOM 0 HB2 GLU A 42 -3.615 12.993 -0.135 1.00 25.44 H new ATOM 0 HB3 GLU A 42 -5.150 13.757 -0.496 1.00 25.44 H new ATOM 0 HG2 GLU A 42 -3.759 15.748 0.870 1.00 71.10 H new ATOM 0 HG3 GLU A 42 -2.508 14.960 -0.071 1.00 71.10 H new ATOM 689 N ARG A 43 -7.169 13.761 1.677 1.00 74.23 N ATOM 690 CA ARG A 43 -8.435 14.440 1.920 1.00 3.05 C ATOM 691 C ARG A 43 -9.095 13.923 3.195 1.00 23.42 C ATOM 692 O ARG A 43 -9.953 14.587 3.776 1.00 53.33 O ATOM 693 CB ARG A 43 -9.377 14.246 0.731 1.00 5.24 C ATOM 694 CG ARG A 43 -10.685 15.012 0.858 1.00 50.30 C ATOM 695 CD ARG A 43 -10.827 16.057 -0.238 1.00 65.11 C ATOM 696 NE ARG A 43 -12.114 16.745 -0.174 1.00 42.12 N ATOM 697 CZ ARG A 43 -12.588 17.509 -1.151 1.00 32.15 C ATOM 698 NH1 ARG A 43 -11.886 17.682 -2.263 1.00 55.22 N ATOM 699 NH2 ARG A 43 -13.768 18.102 -1.019 1.00 54.11 N ATOM 0 H ARG A 43 -7.262 12.807 1.328 1.00 74.23 H new ATOM 0 HA ARG A 43 -8.230 15.503 2.044 1.00 3.05 H new ATOM 0 HB2 ARG A 43 -8.868 14.561 -0.180 1.00 5.24 H new ATOM 0 HB3 ARG A 43 -9.597 13.184 0.622 1.00 5.24 H new ATOM 0 HG2 ARG A 43 -11.522 14.316 0.809 1.00 50.30 H new ATOM 0 HG3 ARG A 43 -10.731 15.497 1.833 1.00 50.30 H new ATOM 0 HD2 ARG A 43 -10.021 16.786 -0.151 1.00 65.11 H new ATOM 0 HD3 ARG A 43 -10.720 15.578 -1.211 1.00 65.11 H new ATOM 0 HE ARG A 43 -12.680 16.632 0.667 1.00 42.12 H new ATOM 0 HH11 ARG A 43 -10.979 17.227 -2.370 1.00 55.22 H new ATOM 0 HH12 ARG A 43 -12.253 18.270 -3.012 1.00 55.22 H new ATOM 0 HH21 ARG A 43 -14.312 17.971 -0.166 1.00 54.11 H new ATOM 0 HH22 ARG A 43 -14.131 18.689 -1.770 1.00 54.11 H new ATOM 713 N PHE A 44 -8.689 12.732 3.623 1.00 63.11 N ATOM 714 CA PHE A 44 -9.242 12.124 4.829 1.00 21.24 C ATOM 715 C PHE A 44 -8.798 12.886 6.074 1.00 25.44 C ATOM 716 O PHE A 44 -9.302 12.648 7.172 1.00 1.01 O ATOM 717 CB PHE A 44 -8.809 10.660 4.931 1.00 51.24 C ATOM 718 CG PHE A 44 -9.941 9.720 5.229 1.00 23.42 C ATOM 719 CD1 PHE A 44 -11.073 9.702 4.430 1.00 51.14 C ATOM 720 CD2 PHE A 44 -9.873 8.852 6.308 1.00 44.13 C ATOM 721 CE1 PHE A 44 -12.117 8.838 4.703 1.00 74.55 C ATOM 722 CE2 PHE A 44 -10.913 7.986 6.585 1.00 63.32 C ATOM 723 CZ PHE A 44 -12.037 7.977 5.782 1.00 12.41 C ATOM 0 H PHE A 44 -7.980 12.169 3.154 1.00 63.11 H new ATOM 0 HA PHE A 44 -10.329 12.171 4.765 1.00 21.24 H new ATOM 0 HB2 PHE A 44 -8.337 10.363 3.994 1.00 51.24 H new ATOM 0 HB3 PHE A 44 -8.054 10.566 5.712 1.00 51.24 H new ATOM 0 HD1 PHE A 44 -11.140 10.371 3.584 1.00 51.14 H new ATOM 0 HD2 PHE A 44 -8.997 8.853 6.939 1.00 44.13 H new ATOM 0 HE1 PHE A 44 -12.995 8.835 4.074 1.00 74.55 H new ATOM 0 HE2 PHE A 44 -10.847 7.316 7.429 1.00 63.32 H new ATOM 0 HZ PHE A 44 -12.851 7.300 5.996 1.00 12.41 H new ATOM 733 N ALA A 45 -7.853 13.802 5.894 1.00 45.03 N ATOM 734 CA ALA A 45 -7.343 14.600 7.003 1.00 2.24 C ATOM 735 C ALA A 45 -6.103 13.958 7.616 1.00 43.25 C ATOM 736 O ALA A 45 -5.510 14.499 8.549 1.00 13.30 O ATOM 737 CB ALA A 45 -8.422 14.786 8.059 1.00 0.33 C ATOM 0 H ALA A 45 -7.425 14.010 4.992 1.00 45.03 H new ATOM 0 HA ALA A 45 -7.059 15.578 6.615 1.00 2.24 H new ATOM 0 HB1 ALA A 45 -8.028 15.383 8.881 1.00 0.33 H new ATOM 0 HB2 ALA A 45 -9.279 15.296 7.618 1.00 0.33 H new ATOM 0 HB3 ALA A 45 -8.734 13.812 8.436 1.00 0.33 H new ATOM 743 N VAL A 46 -5.718 12.802 7.086 1.00 43.14 N ATOM 744 CA VAL A 46 -4.548 12.086 7.582 1.00 63.34 C ATOM 745 C VAL A 46 -3.389 12.182 6.598 1.00 33.54 C ATOM 746 O VAL A 46 -3.496 11.746 5.453 1.00 33.31 O ATOM 747 CB VAL A 46 -4.868 10.602 7.842 1.00 34.22 C ATOM 748 CG1 VAL A 46 -3.586 9.807 8.040 1.00 12.01 C ATOM 749 CG2 VAL A 46 -5.786 10.456 9.046 1.00 13.51 C ATOM 0 H VAL A 46 -6.199 12.341 6.313 1.00 43.14 H new ATOM 0 HA VAL A 46 -4.261 12.557 8.522 1.00 63.34 H new ATOM 0 HB VAL A 46 -5.386 10.202 6.970 1.00 34.22 H new ATOM 0 HG11 VAL A 46 -3.831 8.761 8.223 1.00 12.01 H new ATOM 0 HG12 VAL A 46 -2.968 9.884 7.145 1.00 12.01 H new ATOM 0 HG13 VAL A 46 -3.039 10.206 8.894 1.00 12.01 H new ATOM 0 HG21 VAL A 46 -6.001 9.401 9.214 1.00 13.51 H new ATOM 0 HG22 VAL A 46 -5.299 10.872 9.928 1.00 13.51 H new ATOM 0 HG23 VAL A 46 -6.717 10.991 8.860 1.00 13.51 H new ATOM 759 N ASN A 47 -2.279 12.754 7.053 1.00 62.33 N ATOM 760 CA ASN A 47 -1.096 12.906 6.213 1.00 5.41 C ATOM 761 C ASN A 47 -0.719 11.581 5.559 1.00 61.52 C ATOM 762 O ASN A 47 -0.575 10.552 6.221 1.00 3.21 O ATOM 763 CB ASN A 47 0.078 13.433 7.039 1.00 1.11 C ATOM 764 CG ASN A 47 -0.218 14.777 7.675 1.00 42.51 C ATOM 765 OD1 ASN A 47 -1.014 15.560 7.155 1.00 51.31 O ATOM 766 ND2 ASN A 47 0.422 15.051 8.806 1.00 5.43 N ATOM 0 H ASN A 47 -2.174 13.120 7.999 1.00 62.33 H new ATOM 0 HA ASN A 47 -1.329 13.625 5.427 1.00 5.41 H new ATOM 0 HB2 ASN A 47 0.323 12.712 7.819 1.00 1.11 H new ATOM 0 HB3 ASN A 47 0.957 13.522 6.400 1.00 1.11 H new ATOM 0 HD21 ASN A 47 0.263 15.940 9.280 1.00 5.43 H new ATOM 0 HD22 ASN A 47 1.073 14.372 9.201 1.00 5.43 H new ATOM 773 N PRO A 48 -0.555 11.603 4.228 1.00 30.04 N ATOM 774 CA PRO A 48 -0.192 10.411 3.455 1.00 74.24 C ATOM 775 C PRO A 48 1.241 9.962 3.723 1.00 21.54 C ATOM 776 O PRO A 48 1.653 8.882 3.300 1.00 5.44 O ATOM 777 CB PRO A 48 -0.346 10.870 2.003 1.00 20.41 C ATOM 778 CG PRO A 48 -0.158 12.347 2.050 1.00 32.51 C ATOM 779 CD PRO A 48 -0.712 12.792 3.374 1.00 54.24 C ATOM 0 HA PRO A 48 -0.812 9.553 3.713 1.00 74.24 H new ATOM 0 HB2 PRO A 48 0.394 10.397 1.358 1.00 20.41 H new ATOM 0 HB3 PRO A 48 -1.327 10.608 1.607 1.00 20.41 H new ATOM 0 HG2 PRO A 48 0.896 12.609 1.960 1.00 32.51 H new ATOM 0 HG3 PRO A 48 -0.679 12.833 1.225 1.00 32.51 H new ATOM 0 HD2 PRO A 48 -0.165 13.647 3.771 1.00 54.24 H new ATOM 0 HD3 PRO A 48 -1.757 13.092 3.292 1.00 54.24 H new ATOM 787 N GLY A 49 1.997 10.798 4.428 1.00 42.20 N ATOM 788 CA GLY A 49 3.375 10.468 4.740 1.00 40.35 C ATOM 789 C GLY A 49 3.488 9.363 5.771 1.00 12.31 C ATOM 790 O GLY A 49 4.589 9.010 6.197 1.00 11.54 O ATOM 0 H GLY A 49 1.680 11.698 4.789 1.00 42.20 H new ATOM 0 HA2 GLY A 49 3.888 10.163 3.828 1.00 40.35 H new ATOM 0 HA3 GLY A 49 3.884 11.358 5.109 1.00 40.35 H new ATOM 794 N LEU A 50 2.347 8.815 6.176 1.00 74.04 N ATOM 795 CA LEU A 50 2.322 7.744 7.166 1.00 30.33 C ATOM 796 C LEU A 50 2.410 6.379 6.492 1.00 33.42 C ATOM 797 O LEU A 50 2.350 5.342 7.155 1.00 11.30 O ATOM 798 CB LEU A 50 1.047 7.829 8.007 1.00 12.34 C ATOM 799 CG LEU A 50 0.757 9.185 8.650 1.00 41.21 C ATOM 800 CD1 LEU A 50 -0.674 9.237 9.165 1.00 13.23 C ATOM 801 CD2 LEU A 50 1.741 9.463 9.777 1.00 3.30 C ATOM 0 H LEU A 50 1.428 9.095 5.834 1.00 74.04 H new ATOM 0 HA LEU A 50 3.188 7.864 7.817 1.00 30.33 H new ATOM 0 HB2 LEU A 50 0.200 7.560 7.375 1.00 12.34 H new ATOM 0 HB3 LEU A 50 1.106 7.080 8.797 1.00 12.34 H new ATOM 0 HG LEU A 50 0.877 9.958 7.891 1.00 41.21 H new ATOM 0 HD11 LEU A 50 -0.862 10.210 9.619 1.00 13.23 H new ATOM 0 HD12 LEU A 50 -1.365 9.084 8.336 1.00 13.23 H new ATOM 0 HD13 LEU A 50 -0.822 8.454 9.909 1.00 13.23 H new ATOM 0 HD21 LEU A 50 1.519 10.433 10.223 1.00 3.30 H new ATOM 0 HD22 LEU A 50 1.654 8.686 10.536 1.00 3.30 H new ATOM 0 HD23 LEU A 50 2.756 9.470 9.380 1.00 3.30 H new ATOM 813 N LEU A 51 2.555 6.384 5.172 1.00 33.33 N ATOM 814 CA LEU A 51 2.655 5.146 4.407 1.00 31.31 C ATOM 815 C LEU A 51 4.113 4.756 4.188 1.00 12.52 C ATOM 816 O LEU A 51 4.412 3.633 3.784 1.00 42.11 O ATOM 817 CB LEU A 51 1.947 5.297 3.060 1.00 23.54 C ATOM 818 CG LEU A 51 0.473 5.699 3.118 1.00 61.30 C ATOM 819 CD1 LEU A 51 -0.004 6.179 1.756 1.00 74.22 C ATOM 820 CD2 LEU A 51 -0.380 4.534 3.603 1.00 13.34 C ATOM 0 H LEU A 51 2.606 7.233 4.608 1.00 33.33 H new ATOM 0 HA LEU A 51 2.170 4.355 4.979 1.00 31.31 H new ATOM 0 HB2 LEU A 51 2.483 6.042 2.472 1.00 23.54 H new ATOM 0 HB3 LEU A 51 2.024 4.351 2.524 1.00 23.54 H new ATOM 0 HG LEU A 51 0.369 6.520 3.827 1.00 61.30 H new ATOM 0 HD11 LEU A 51 -1.055 6.461 1.817 1.00 74.22 H new ATOM 0 HD12 LEU A 51 0.586 7.042 1.447 1.00 74.22 H new ATOM 0 HD13 LEU A 51 0.115 5.379 1.026 1.00 74.22 H new ATOM 0 HD21 LEU A 51 -1.426 4.839 3.638 1.00 13.34 H new ATOM 0 HD22 LEU A 51 -0.270 3.693 2.919 1.00 13.34 H new ATOM 0 HD23 LEU A 51 -0.056 4.236 4.600 1.00 13.34 H new ATOM 832 N GLU A 52 5.018 5.694 4.456 1.00 45.24 N ATOM 833 CA GLU A 52 6.445 5.448 4.289 1.00 0.11 C ATOM 834 C GLU A 52 7.111 5.171 5.634 1.00 61.52 C ATOM 835 O GLU A 52 8.154 5.742 5.953 1.00 33.31 O ATOM 836 CB GLU A 52 7.115 6.645 3.613 1.00 13.44 C ATOM 837 CG GLU A 52 6.730 7.982 4.221 1.00 2.43 C ATOM 838 CD GLU A 52 5.894 8.831 3.283 1.00 2.42 C ATOM 839 OE1 GLU A 52 4.834 8.347 2.831 1.00 1.11 O ATOM 840 OE2 GLU A 52 6.298 9.978 2.999 1.00 62.24 O ATOM 0 H GLU A 52 4.787 6.630 4.789 1.00 45.24 H new ATOM 0 HA GLU A 52 6.564 4.568 3.656 1.00 0.11 H new ATOM 0 HB2 GLU A 52 8.197 6.526 3.673 1.00 13.44 H new ATOM 0 HB3 GLU A 52 6.853 6.648 2.555 1.00 13.44 H new ATOM 0 HG2 GLU A 52 6.174 7.811 5.143 1.00 2.43 H new ATOM 0 HG3 GLU A 52 7.634 8.528 4.491 1.00 2.43 H new ATOM 847 N THR A 53 6.499 4.290 6.421 1.00 11.33 N ATOM 848 CA THR A 53 7.031 3.938 7.731 1.00 43.43 C ATOM 849 C THR A 53 6.205 2.835 8.381 1.00 24.45 C ATOM 850 O THR A 53 4.998 2.982 8.577 1.00 52.21 O ATOM 851 CB THR A 53 7.063 5.159 8.670 1.00 43.12 C ATOM 852 OG1 THR A 53 6.937 4.734 10.032 1.00 24.21 O ATOM 853 CG2 THR A 53 5.944 6.133 8.332 1.00 35.11 C ATOM 0 H THR A 53 5.635 3.808 6.173 1.00 11.33 H new ATOM 0 HA THR A 53 8.049 3.582 7.574 1.00 43.43 H new ATOM 0 HB THR A 53 8.018 5.667 8.535 1.00 43.12 H new ATOM 0 HG1 THR A 53 6.960 5.516 10.622 1.00 24.21 H new ATOM 0 HG21 THR A 53 5.988 6.986 9.009 1.00 35.11 H new ATOM 0 HG22 THR A 53 6.060 6.478 7.305 1.00 35.11 H new ATOM 0 HG23 THR A 53 4.981 5.633 8.440 1.00 35.11 H new ATOM 861 N SER A 54 6.861 1.728 8.713 1.00 53.11 N ATOM 862 CA SER A 54 6.187 0.596 9.338 1.00 22.24 C ATOM 863 C SER A 54 5.396 1.045 10.564 1.00 31.54 C ATOM 864 O SER A 54 4.344 0.488 10.873 1.00 25.11 O ATOM 865 CB SER A 54 7.204 -0.475 9.737 1.00 34.11 C ATOM 866 OG SER A 54 7.448 -0.452 11.132 1.00 50.22 O ATOM 0 H SER A 54 7.860 1.591 8.559 1.00 53.11 H new ATOM 0 HA SER A 54 5.492 0.173 8.613 1.00 22.24 H new ATOM 0 HB2 SER A 54 6.835 -1.458 9.445 1.00 34.11 H new ATOM 0 HB3 SER A 54 8.138 -0.313 9.199 1.00 34.11 H new ATOM 0 HG SER A 54 8.100 -1.147 11.362 1.00 50.22 H new ATOM 872 N GLU A 55 5.913 2.055 11.257 1.00 75.30 N ATOM 873 CA GLU A 55 5.257 2.577 12.449 1.00 64.05 C ATOM 874 C GLU A 55 4.168 3.577 12.075 1.00 45.30 C ATOM 875 O GLU A 55 3.221 3.793 12.832 1.00 14.12 O ATOM 876 CB GLU A 55 6.280 3.242 13.372 1.00 75.20 C ATOM 877 CG GLU A 55 7.203 2.256 14.068 1.00 54.21 C ATOM 878 CD GLU A 55 8.605 2.803 14.257 1.00 72.50 C ATOM 879 OE1 GLU A 55 9.246 3.156 13.245 1.00 51.24 O ATOM 880 OE2 GLU A 55 9.061 2.876 15.417 1.00 72.24 O ATOM 0 H GLU A 55 6.784 2.527 11.013 1.00 75.30 H new ATOM 0 HA GLU A 55 4.795 1.741 12.974 1.00 64.05 H new ATOM 0 HB2 GLU A 55 6.881 3.941 12.791 1.00 75.20 H new ATOM 0 HB3 GLU A 55 5.751 3.826 14.125 1.00 75.20 H new ATOM 0 HG2 GLU A 55 6.784 1.996 15.040 1.00 54.21 H new ATOM 0 HG3 GLU A 55 7.251 1.336 13.486 1.00 54.21 H new ATOM 887 N GLY A 56 4.308 4.187 10.902 1.00 34.12 N ATOM 888 CA GLY A 56 3.330 5.158 10.448 1.00 64.25 C ATOM 889 C GLY A 56 2.042 4.509 9.981 1.00 14.12 C ATOM 890 O GLY A 56 0.977 5.124 10.029 1.00 2.31 O ATOM 0 H GLY A 56 5.082 4.026 10.258 1.00 34.12 H new ATOM 0 HA2 GLY A 56 3.110 5.853 11.258 1.00 64.25 H new ATOM 0 HA3 GLY A 56 3.755 5.743 9.632 1.00 64.25 H new ATOM 894 N CYS A 57 2.140 3.264 9.527 1.00 2.11 N ATOM 895 CA CYS A 57 0.974 2.532 9.047 1.00 11.13 C ATOM 896 C CYS A 57 0.047 2.168 10.202 1.00 70.43 C ATOM 897 O CYS A 57 -1.106 2.597 10.245 1.00 41.34 O ATOM 898 CB CYS A 57 1.410 1.266 8.307 1.00 3.00 C ATOM 899 SG CYS A 57 1.981 1.559 6.617 1.00 32.31 S ATOM 0 H CYS A 57 3.015 2.741 9.481 1.00 2.11 H new ATOM 0 HA CYS A 57 0.429 3.177 8.358 1.00 11.13 H new ATOM 0 HB2 CYS A 57 2.209 0.785 8.871 1.00 3.00 H new ATOM 0 HB3 CYS A 57 0.574 0.567 8.281 1.00 3.00 H new ATOM 0 HG CYS A 57 2.873 0.668 6.300 1.00 32.31 H new ATOM 905 N ARG A 58 0.557 1.371 11.134 1.00 75.45 N ATOM 906 CA ARG A 58 -0.225 0.945 12.289 1.00 50.42 C ATOM 907 C ARG A 58 -0.905 2.139 12.954 1.00 41.03 C ATOM 908 O ARG A 58 -2.017 2.023 13.469 1.00 11.43 O ATOM 909 CB ARG A 58 0.668 0.225 13.300 1.00 62.23 C ATOM 910 CG ARG A 58 0.384 -1.265 13.411 1.00 42.33 C ATOM 911 CD ARG A 58 1.392 -1.958 14.313 1.00 61.33 C ATOM 912 NE ARG A 58 1.113 -1.724 15.728 1.00 23.25 N ATOM 913 CZ ARG A 58 1.821 -2.259 16.715 1.00 73.55 C ATOM 914 NH1 ARG A 58 2.846 -3.056 16.444 1.00 31.45 N ATOM 915 NH2 ARG A 58 1.507 -1.998 17.977 1.00 25.42 N ATOM 0 H ARG A 58 1.509 1.006 11.112 1.00 75.45 H new ATOM 0 HA ARG A 58 -0.995 0.256 11.941 1.00 50.42 H new ATOM 0 HB2 ARG A 58 1.711 0.367 13.017 1.00 62.23 H new ATOM 0 HB3 ARG A 58 0.538 0.685 14.280 1.00 62.23 H new ATOM 0 HG2 ARG A 58 -0.622 -1.417 13.803 1.00 42.33 H new ATOM 0 HG3 ARG A 58 0.411 -1.717 12.419 1.00 42.33 H new ATOM 0 HD2 ARG A 58 1.380 -3.030 14.114 1.00 61.33 H new ATOM 0 HD3 ARG A 58 2.395 -1.601 14.077 1.00 61.33 H new ATOM 0 HE ARG A 58 0.331 -1.116 15.971 1.00 23.25 H new ATOM 0 HH11 ARG A 58 3.092 -3.259 15.475 1.00 31.45 H new ATOM 0 HH12 ARG A 58 3.388 -3.466 17.204 1.00 31.45 H new ATOM 0 HH21 ARG A 58 0.720 -1.385 18.190 1.00 25.42 H new ATOM 0 HH22 ARG A 58 2.052 -2.410 18.734 1.00 25.42 H new ATOM 929 N GLN A 59 -0.228 3.282 12.940 1.00 15.12 N ATOM 930 CA GLN A 59 -0.766 4.496 13.543 1.00 23.41 C ATOM 931 C GLN A 59 -2.070 4.907 12.868 1.00 15.55 C ATOM 932 O GLN A 59 -3.000 5.374 13.526 1.00 22.04 O ATOM 933 CB GLN A 59 0.252 5.633 13.448 1.00 20.01 C ATOM 934 CG GLN A 59 0.470 6.366 14.762 1.00 74.14 C ATOM 935 CD GLN A 59 1.641 5.813 15.551 1.00 14.01 C ATOM 936 OE1 GLN A 59 2.798 5.976 15.161 1.00 73.32 O ATOM 937 NE2 GLN A 59 1.347 5.155 16.666 1.00 13.23 N ATOM 0 H GLN A 59 0.694 3.393 12.518 1.00 15.12 H new ATOM 0 HA GLN A 59 -0.971 4.289 14.593 1.00 23.41 H new ATOM 0 HB2 GLN A 59 1.204 5.229 13.105 1.00 20.01 H new ATOM 0 HB3 GLN A 59 -0.082 6.346 12.695 1.00 20.01 H new ATOM 0 HG2 GLN A 59 0.640 7.424 14.560 1.00 74.14 H new ATOM 0 HG3 GLN A 59 -0.435 6.298 15.366 1.00 74.14 H new ATOM 0 HE21 GLN A 59 0.374 5.044 16.951 1.00 13.23 H new ATOM 0 HE22 GLN A 59 2.094 4.761 17.237 1.00 13.23 H new ATOM 946 N ILE A 60 -2.129 4.732 11.552 1.00 25.15 N ATOM 947 CA ILE A 60 -3.320 5.084 10.788 1.00 24.15 C ATOM 948 C ILE A 60 -4.482 4.156 11.122 1.00 45.33 C ATOM 949 O ILE A 60 -5.598 4.609 11.384 1.00 64.32 O ATOM 950 CB ILE A 60 -3.053 5.028 9.272 1.00 42.13 C ATOM 951 CG1 ILE A 60 -1.836 5.884 8.915 1.00 32.21 C ATOM 952 CG2 ILE A 60 -4.279 5.494 8.501 1.00 45.31 C ATOM 953 CD1 ILE A 60 -1.063 5.366 7.722 1.00 51.05 C ATOM 0 H ILE A 60 -1.367 4.349 10.993 1.00 25.15 H new ATOM 0 HA ILE A 60 -3.582 6.105 11.066 1.00 24.15 H new ATOM 0 HB ILE A 60 -2.843 3.996 8.993 1.00 42.13 H new ATOM 0 HG12 ILE A 60 -2.166 6.903 8.710 1.00 32.21 H new ATOM 0 HG13 ILE A 60 -1.170 5.932 9.777 1.00 32.21 H new ATOM 0 HG21 ILE A 60 -4.075 5.449 7.431 1.00 45.31 H new ATOM 0 HG22 ILE A 60 -5.124 4.848 8.737 1.00 45.31 H new ATOM 0 HG23 ILE A 60 -4.517 6.520 8.782 1.00 45.31 H new ATOM 0 HD11 ILE A 60 -0.214 6.021 7.526 1.00 51.05 H new ATOM 0 HD12 ILE A 60 -0.703 4.359 7.931 1.00 51.05 H new ATOM 0 HD13 ILE A 60 -1.714 5.344 6.848 1.00 51.05 H new ATOM 965 N LEU A 61 -4.215 2.854 11.114 1.00 14.42 N ATOM 966 CA LEU A 61 -5.239 1.861 11.419 1.00 13.24 C ATOM 967 C LEU A 61 -5.825 2.091 12.808 1.00 45.53 C ATOM 968 O LEU A 61 -6.983 1.764 13.067 1.00 32.05 O ATOM 969 CB LEU A 61 -4.652 0.451 11.328 1.00 15.53 C ATOM 970 CG LEU A 61 -4.024 0.070 9.987 1.00 5.23 C ATOM 971 CD1 LEU A 61 -2.960 -0.999 10.179 1.00 4.02 C ATOM 972 CD2 LEU A 61 -5.093 -0.407 9.014 1.00 65.45 C ATOM 0 H LEU A 61 -3.298 2.462 10.900 1.00 14.42 H new ATOM 0 HA LEU A 61 -6.039 1.964 10.686 1.00 13.24 H new ATOM 0 HB2 LEU A 61 -3.895 0.344 12.105 1.00 15.53 H new ATOM 0 HB3 LEU A 61 -5.442 -0.265 11.553 1.00 15.53 H new ATOM 0 HG LEU A 61 -3.547 0.955 9.567 1.00 5.23 H new ATOM 0 HD11 LEU A 61 -2.525 -1.257 9.213 1.00 4.02 H new ATOM 0 HD12 LEU A 61 -2.180 -0.621 10.839 1.00 4.02 H new ATOM 0 HD13 LEU A 61 -3.412 -1.887 10.622 1.00 4.02 H new ATOM 0 HD21 LEU A 61 -4.628 -0.674 8.065 1.00 65.45 H new ATOM 0 HD22 LEU A 61 -5.599 -1.279 9.428 1.00 65.45 H new ATOM 0 HD23 LEU A 61 -5.818 0.390 8.851 1.00 65.45 H new ATOM 984 N GLY A 62 -5.017 2.659 13.699 1.00 23.11 N ATOM 985 CA GLY A 62 -5.475 2.926 15.050 1.00 62.21 C ATOM 986 C GLY A 62 -6.553 3.990 15.098 1.00 41.41 C ATOM 987 O GLY A 62 -7.446 3.940 15.943 1.00 25.33 O ATOM 0 H GLY A 62 -4.055 2.939 13.509 1.00 23.11 H new ATOM 0 HA2 GLY A 62 -5.858 2.005 15.489 1.00 62.21 H new ATOM 0 HA3 GLY A 62 -4.630 3.242 15.661 1.00 62.21 H new ATOM 991 N GLN A 63 -6.468 4.958 14.190 1.00 23.31 N ATOM 992 CA GLN A 63 -7.443 6.040 14.134 1.00 71.15 C ATOM 993 C GLN A 63 -8.799 5.527 13.661 1.00 60.05 C ATOM 994 O GLN A 63 -9.844 5.962 14.148 1.00 23.40 O ATOM 995 CB GLN A 63 -6.952 7.151 13.205 1.00 72.14 C ATOM 996 CG GLN A 63 -6.279 8.302 13.935 1.00 24.32 C ATOM 997 CD GLN A 63 -7.180 9.514 14.068 1.00 14.20 C ATOM 998 OE1 GLN A 63 -8.366 9.390 14.375 1.00 31.02 O ATOM 999 NE2 GLN A 63 -6.620 10.696 13.838 1.00 75.31 N ATOM 0 H GLN A 63 -5.734 5.014 13.484 1.00 23.31 H new ATOM 0 HA GLN A 63 -7.558 6.443 15.140 1.00 71.15 H new ATOM 0 HB2 GLN A 63 -6.250 6.728 12.486 1.00 72.14 H new ATOM 0 HB3 GLN A 63 -7.798 7.537 12.636 1.00 72.14 H new ATOM 0 HG2 GLN A 63 -5.974 7.970 14.927 1.00 24.32 H new ATOM 0 HG3 GLN A 63 -5.372 8.585 13.401 1.00 24.32 H new ATOM 0 HE21 GLN A 63 -5.633 10.752 13.586 1.00 75.31 H new ATOM 0 HE22 GLN A 63 -7.177 11.547 13.913 1.00 75.31 H new ATOM 1008 N LEU A 64 -8.776 4.602 12.708 1.00 52.23 N ATOM 1009 CA LEU A 64 -10.005 4.029 12.168 1.00 13.13 C ATOM 1010 C LEU A 64 -10.448 2.820 12.985 1.00 75.50 C ATOM 1011 O LEU A 64 -11.600 2.396 12.908 1.00 41.41 O ATOM 1012 CB LEU A 64 -9.802 3.626 10.706 1.00 24.30 C ATOM 1013 CG LEU A 64 -9.006 4.604 9.843 1.00 10.51 C ATOM 1014 CD1 LEU A 64 -8.685 3.986 8.491 1.00 55.04 C ATOM 1015 CD2 LEU A 64 -9.773 5.907 9.667 1.00 51.10 C ATOM 0 H LEU A 64 -7.921 4.233 12.293 1.00 52.23 H new ATOM 0 HA LEU A 64 -10.786 4.787 12.225 1.00 13.13 H new ATOM 0 HB2 LEU A 64 -9.298 2.660 10.683 1.00 24.30 H new ATOM 0 HB3 LEU A 64 -10.782 3.485 10.250 1.00 24.30 H new ATOM 0 HG LEU A 64 -8.067 4.824 10.351 1.00 10.51 H new ATOM 0 HD11 LEU A 64 -8.118 4.698 7.891 1.00 55.04 H new ATOM 0 HD12 LEU A 64 -8.094 3.081 8.635 1.00 55.04 H new ATOM 0 HD13 LEU A 64 -9.612 3.735 7.976 1.00 55.04 H new ATOM 0 HD21 LEU A 64 -9.191 6.591 9.050 1.00 51.10 H new ATOM 0 HD22 LEU A 64 -10.728 5.704 9.182 1.00 51.10 H new ATOM 0 HD23 LEU A 64 -9.950 6.360 10.643 1.00 51.10 H new ATOM 1027 N GLN A 65 -9.524 2.271 13.768 1.00 31.55 N ATOM 1028 CA GLN A 65 -9.820 1.111 14.599 1.00 42.35 C ATOM 1029 C GLN A 65 -11.108 1.323 15.390 1.00 72.34 C ATOM 1030 O GLN A 65 -12.071 0.566 15.268 1.00 12.10 O ATOM 1031 CB GLN A 65 -8.660 0.834 15.557 1.00 64.41 C ATOM 1032 CG GLN A 65 -9.093 0.204 16.872 1.00 1.43 C ATOM 1033 CD GLN A 65 -7.930 -0.374 17.652 1.00 55.35 C ATOM 1034 OE1 GLN A 65 -7.114 0.362 18.211 1.00 3.34 O ATOM 1035 NE2 GLN A 65 -7.846 -1.698 17.698 1.00 13.45 N ATOM 0 H GLN A 65 -8.565 2.611 13.844 1.00 31.55 H new ATOM 0 HA GLN A 65 -9.954 0.251 13.943 1.00 42.35 H new ATOM 0 HB2 GLN A 65 -7.944 0.175 15.066 1.00 64.41 H new ATOM 0 HB3 GLN A 65 -8.141 1.769 15.766 1.00 64.41 H new ATOM 0 HG2 GLN A 65 -9.597 0.954 17.481 1.00 1.43 H new ATOM 0 HG3 GLN A 65 -9.819 -0.584 16.671 1.00 1.43 H new ATOM 0 HE21 GLN A 65 -8.543 -2.270 17.221 1.00 13.45 H new ATOM 0 HE22 GLN A 65 -7.085 -2.143 18.210 1.00 13.45 H new ATOM 1044 N PRO A 66 -11.126 2.376 16.221 1.00 24.44 N ATOM 1045 CA PRO A 66 -12.289 2.712 17.047 1.00 21.22 C ATOM 1046 C PRO A 66 -13.463 3.221 16.217 1.00 3.44 C ATOM 1047 O PRO A 66 -14.549 3.464 16.742 1.00 72.34 O ATOM 1048 CB PRO A 66 -11.765 3.817 17.965 1.00 52.41 C ATOM 1049 CG PRO A 66 -10.637 4.434 17.211 1.00 22.03 C ATOM 1050 CD PRO A 66 -10.013 3.320 16.416 1.00 43.32 C ATOM 0 HA PRO A 66 -12.674 1.843 17.580 1.00 21.22 H new ATOM 0 HB2 PRO A 66 -12.541 4.550 18.185 1.00 52.41 H new ATOM 0 HB3 PRO A 66 -11.429 3.412 18.919 1.00 52.41 H new ATOM 0 HG2 PRO A 66 -10.994 5.229 16.556 1.00 22.03 H new ATOM 0 HG3 PRO A 66 -9.912 4.882 17.890 1.00 22.03 H new ATOM 0 HD2 PRO A 66 -9.618 3.677 15.465 1.00 43.32 H new ATOM 0 HD3 PRO A 66 -9.184 2.859 16.953 1.00 43.32 H new ATOM 1058 N SER A 67 -13.237 3.381 14.916 1.00 43.15 N ATOM 1059 CA SER A 67 -14.275 3.864 14.014 1.00 12.34 C ATOM 1060 C SER A 67 -14.853 2.720 13.187 1.00 52.11 C ATOM 1061 O SER A 67 -15.877 2.875 12.521 1.00 35.14 O ATOM 1062 CB SER A 67 -13.713 4.944 13.087 1.00 51.11 C ATOM 1063 OG SER A 67 -14.749 5.587 12.365 1.00 55.22 O ATOM 0 H SER A 67 -12.344 3.183 14.464 1.00 43.15 H new ATOM 0 HA SER A 67 -15.075 4.293 14.618 1.00 12.34 H new ATOM 0 HB2 SER A 67 -13.163 5.680 13.673 1.00 51.11 H new ATOM 0 HB3 SER A 67 -13.004 4.497 12.391 1.00 51.11 H new ATOM 0 HG SER A 67 -15.437 4.931 12.126 1.00 55.22 H new ATOM 1069 N LEU A 68 -14.189 1.571 13.235 1.00 74.43 N ATOM 1070 CA LEU A 68 -14.634 0.397 12.491 1.00 25.12 C ATOM 1071 C LEU A 68 -16.073 0.040 12.849 1.00 45.22 C ATOM 1072 O LEU A 68 -16.791 -0.559 12.050 1.00 22.14 O ATOM 1073 CB LEU A 68 -13.716 -0.791 12.776 1.00 20.32 C ATOM 1074 CG LEU A 68 -12.366 -0.784 12.057 1.00 21.21 C ATOM 1075 CD1 LEU A 68 -11.418 -1.791 12.691 1.00 14.42 C ATOM 1076 CD2 LEU A 68 -12.548 -1.079 10.575 1.00 63.24 C ATOM 0 H LEU A 68 -13.340 1.427 13.781 1.00 74.43 H new ATOM 0 HA LEU A 68 -14.591 0.633 11.428 1.00 25.12 H new ATOM 0 HB2 LEU A 68 -13.533 -0.834 13.850 1.00 20.32 H new ATOM 0 HB3 LEU A 68 -14.244 -1.706 12.506 1.00 20.32 H new ATOM 0 HG LEU A 68 -11.928 0.209 12.157 1.00 21.21 H new ATOM 0 HD11 LEU A 68 -10.463 -1.772 12.166 1.00 14.42 H new ATOM 0 HD12 LEU A 68 -11.262 -1.534 13.739 1.00 14.42 H new ATOM 0 HD13 LEU A 68 -11.849 -2.790 12.623 1.00 14.42 H new ATOM 0 HD21 LEU A 68 -11.577 -1.070 10.080 1.00 63.24 H new ATOM 0 HD22 LEU A 68 -13.008 -2.060 10.453 1.00 63.24 H new ATOM 0 HD23 LEU A 68 -13.190 -0.319 10.129 1.00 63.24 H new ATOM 1088 N GLN A 69 -16.488 0.413 14.056 1.00 52.33 N ATOM 1089 CA GLN A 69 -17.841 0.133 14.519 1.00 61.40 C ATOM 1090 C GLN A 69 -18.875 0.777 13.601 1.00 64.51 C ATOM 1091 O GLN A 69 -19.888 0.164 13.262 1.00 63.20 O ATOM 1092 CB GLN A 69 -18.028 0.638 15.951 1.00 12.41 C ATOM 1093 CG GLN A 69 -19.214 0.011 16.668 1.00 75.32 C ATOM 1094 CD GLN A 69 -19.953 1.000 17.548 1.00 22.35 C ATOM 1095 OE1 GLN A 69 -21.165 1.174 17.421 1.00 43.23 O ATOM 1096 NE2 GLN A 69 -19.226 1.654 18.445 1.00 74.33 N ATOM 0 H GLN A 69 -15.906 0.910 14.730 1.00 52.33 H new ATOM 0 HA GLN A 69 -17.988 -0.947 14.500 1.00 61.40 H new ATOM 0 HB2 GLN A 69 -17.121 0.435 16.520 1.00 12.41 H new ATOM 0 HB3 GLN A 69 -18.156 1.720 15.932 1.00 12.41 H new ATOM 0 HG2 GLN A 69 -19.904 -0.400 15.931 1.00 75.32 H new ATOM 0 HG3 GLN A 69 -18.866 -0.823 17.278 1.00 75.32 H new ATOM 0 HE21 GLN A 69 -18.224 1.478 18.515 1.00 74.33 H new ATOM 0 HE22 GLN A 69 -19.669 2.333 19.064 1.00 74.33 H new ATOM 1105 N THR A 70 -18.613 2.017 13.201 1.00 42.43 N ATOM 1106 CA THR A 70 -19.521 2.746 12.324 1.00 61.11 C ATOM 1107 C THR A 70 -18.753 3.541 11.276 1.00 1.02 C ATOM 1108 O THR A 70 -18.995 4.732 11.085 1.00 4.05 O ATOM 1109 CB THR A 70 -20.423 3.706 13.121 1.00 62.04 C ATOM 1110 OG1 THR A 70 -20.629 3.200 14.445 1.00 23.22 O ATOM 1111 CG2 THR A 70 -21.766 3.890 12.428 1.00 75.24 C ATOM 0 H THR A 70 -17.779 2.538 13.471 1.00 42.43 H new ATOM 0 HA THR A 70 -20.144 2.003 11.827 1.00 61.11 H new ATOM 0 HB THR A 70 -19.925 4.674 13.176 1.00 62.04 H new ATOM 0 HG1 THR A 70 -21.202 3.817 14.946 1.00 23.22 H new ATOM 0 HG21 THR A 70 -22.385 4.572 13.010 1.00 75.24 H new ATOM 0 HG22 THR A 70 -21.608 4.304 11.432 1.00 75.24 H new ATOM 0 HG23 THR A 70 -22.268 2.926 12.345 1.00 75.24 H new ATOM 1119 N GLY A 71 -17.824 2.875 10.597 1.00 31.32 N ATOM 1120 CA GLY A 71 -17.034 3.536 9.574 1.00 61.14 C ATOM 1121 C GLY A 71 -17.637 3.390 8.191 1.00 41.42 C ATOM 1122 O GLY A 71 -18.175 2.337 7.850 1.00 11.33 O ATOM 0 H GLY A 71 -17.604 1.889 10.737 1.00 31.32 H new ATOM 0 HA2 GLY A 71 -16.943 4.595 9.817 1.00 61.14 H new ATOM 0 HA3 GLY A 71 -16.026 3.121 9.573 1.00 61.14 H new ATOM 1126 N SER A 72 -17.548 4.450 7.395 1.00 11.43 N ATOM 1127 CA SER A 72 -18.094 4.438 6.043 1.00 4.11 C ATOM 1128 C SER A 72 -17.324 3.466 5.155 1.00 30.04 C ATOM 1129 O SER A 72 -16.240 3.007 5.513 1.00 55.41 O ATOM 1130 CB SER A 72 -18.050 5.843 5.439 1.00 74.51 C ATOM 1131 OG SER A 72 -16.943 6.577 5.936 1.00 32.42 O ATOM 0 H SER A 72 -17.103 5.328 7.663 1.00 11.43 H new ATOM 0 HA SER A 72 -19.131 4.108 6.100 1.00 4.11 H new ATOM 0 HB2 SER A 72 -17.987 5.774 4.353 1.00 74.51 H new ATOM 0 HB3 SER A 72 -18.975 6.371 5.671 1.00 74.51 H new ATOM 0 HG SER A 72 -16.936 7.471 5.534 1.00 32.42 H new ATOM 1137 N GLU A 73 -17.892 3.157 3.993 1.00 63.32 N ATOM 1138 CA GLU A 73 -17.260 2.238 3.054 1.00 14.11 C ATOM 1139 C GLU A 73 -15.829 2.671 2.749 1.00 14.41 C ATOM 1140 O GLU A 73 -14.957 1.839 2.506 1.00 54.22 O ATOM 1141 CB GLU A 73 -18.068 2.162 1.757 1.00 64.04 C ATOM 1142 CG GLU A 73 -19.060 1.011 1.724 1.00 33.10 C ATOM 1143 CD GLU A 73 -20.354 1.334 2.444 1.00 42.50 C ATOM 1144 OE1 GLU A 73 -20.312 1.543 3.674 1.00 43.21 O ATOM 1145 OE2 GLU A 73 -21.409 1.379 1.778 1.00 1.13 O ATOM 0 H GLU A 73 -18.788 3.530 3.680 1.00 63.32 H new ATOM 0 HA GLU A 73 -17.233 1.251 3.515 1.00 14.11 H new ATOM 0 HB2 GLU A 73 -18.607 3.099 1.619 1.00 64.04 H new ATOM 0 HB3 GLU A 73 -17.381 2.063 0.916 1.00 64.04 H new ATOM 0 HG2 GLU A 73 -19.280 0.756 0.687 1.00 33.10 H new ATOM 0 HG3 GLU A 73 -18.605 0.131 2.180 1.00 33.10 H new ATOM 1152 N GLU A 74 -15.598 3.980 2.764 1.00 53.13 N ATOM 1153 CA GLU A 74 -14.273 4.525 2.488 1.00 1.12 C ATOM 1154 C GLU A 74 -13.294 4.164 3.601 1.00 74.04 C ATOM 1155 O GLU A 74 -12.181 3.706 3.339 1.00 70.33 O ATOM 1156 CB GLU A 74 -14.345 6.045 2.330 1.00 71.45 C ATOM 1157 CG GLU A 74 -14.773 6.493 0.942 1.00 43.43 C ATOM 1158 CD GLU A 74 -16.156 5.995 0.569 1.00 31.32 C ATOM 1159 OE1 GLU A 74 -17.077 6.120 1.403 1.00 14.14 O ATOM 1160 OE2 GLU A 74 -16.316 5.481 -0.557 1.00 32.13 O ATOM 0 H GLU A 74 -16.310 4.682 2.964 1.00 53.13 H new ATOM 0 HA GLU A 74 -13.915 4.087 1.556 1.00 1.12 H new ATOM 0 HB2 GLU A 74 -15.045 6.445 3.064 1.00 71.45 H new ATOM 0 HB3 GLU A 74 -13.368 6.472 2.555 1.00 71.45 H new ATOM 0 HG2 GLU A 74 -14.758 7.582 0.895 1.00 43.43 H new ATOM 0 HG3 GLU A 74 -14.051 6.132 0.209 1.00 43.43 H new ATOM 1167 N LEU A 75 -13.716 4.373 4.843 1.00 12.14 N ATOM 1168 CA LEU A 75 -12.877 4.071 5.998 1.00 33.34 C ATOM 1169 C LEU A 75 -12.487 2.596 6.016 1.00 11.31 C ATOM 1170 O LEU A 75 -11.315 2.255 6.177 1.00 54.40 O ATOM 1171 CB LEU A 75 -13.606 4.434 7.292 1.00 11.41 C ATOM 1172 CG LEU A 75 -12.835 4.184 8.589 1.00 52.55 C ATOM 1173 CD1 LEU A 75 -13.161 5.255 9.618 1.00 3.21 C ATOM 1174 CD2 LEU A 75 -13.150 2.801 9.139 1.00 33.24 C ATOM 0 H LEU A 75 -14.634 4.750 5.076 1.00 12.14 H new ATOM 0 HA LEU A 75 -11.968 4.667 5.922 1.00 33.34 H new ATOM 0 HB2 LEU A 75 -13.875 5.489 7.250 1.00 11.41 H new ATOM 0 HB3 LEU A 75 -14.537 3.869 7.332 1.00 11.41 H new ATOM 0 HG LEU A 75 -11.768 4.232 8.370 1.00 52.55 H new ATOM 0 HD11 LEU A 75 -12.603 5.061 10.534 1.00 3.21 H new ATOM 0 HD12 LEU A 75 -12.884 6.233 9.225 1.00 3.21 H new ATOM 0 HD13 LEU A 75 -14.229 5.240 9.833 1.00 3.21 H new ATOM 0 HD21 LEU A 75 -12.593 2.641 10.062 1.00 33.24 H new ATOM 0 HD22 LEU A 75 -14.218 2.725 9.342 1.00 33.24 H new ATOM 0 HD23 LEU A 75 -12.865 2.045 8.407 1.00 33.24 H new ATOM 1186 N ARG A 76 -13.477 1.727 5.848 1.00 33.40 N ATOM 1187 CA ARG A 76 -13.238 0.288 5.845 1.00 14.23 C ATOM 1188 C ARG A 76 -12.119 -0.075 4.873 1.00 3.05 C ATOM 1189 O ARG A 76 -11.152 -0.741 5.243 1.00 41.25 O ATOM 1190 CB ARG A 76 -14.517 -0.463 5.469 1.00 52.35 C ATOM 1191 CG ARG A 76 -14.863 -1.592 6.427 1.00 4.45 C ATOM 1192 CD ARG A 76 -15.924 -2.512 5.841 1.00 53.42 C ATOM 1193 NE ARG A 76 -17.069 -2.664 6.735 1.00 2.12 N ATOM 1194 CZ ARG A 76 -18.109 -3.447 6.469 1.00 54.32 C ATOM 1195 NH1 ARG A 76 -18.147 -4.144 5.342 1.00 20.32 N ATOM 1196 NH2 ARG A 76 -19.113 -3.533 7.332 1.00 24.14 N ATOM 0 H ARG A 76 -14.452 1.993 5.712 1.00 33.40 H new ATOM 0 HA ARG A 76 -12.934 -0.006 6.850 1.00 14.23 H new ATOM 0 HB2 ARG A 76 -15.347 0.243 5.437 1.00 52.35 H new ATOM 0 HB3 ARG A 76 -14.407 -0.871 4.464 1.00 52.35 H new ATOM 0 HG2 ARG A 76 -13.965 -2.167 6.653 1.00 4.45 H new ATOM 0 HG3 ARG A 76 -15.220 -1.175 7.369 1.00 4.45 H new ATOM 0 HD2 ARG A 76 -16.261 -2.114 4.884 1.00 53.42 H new ATOM 0 HD3 ARG A 76 -15.486 -3.490 5.642 1.00 53.42 H new ATOM 0 HE ARG A 76 -17.070 -2.141 7.611 1.00 2.12 H new ATOM 0 HH11 ARG A 76 -17.377 -4.080 4.677 1.00 20.32 H new ATOM 0 HH12 ARG A 76 -18.947 -4.744 5.140 1.00 20.32 H new ATOM 0 HH21 ARG A 76 -19.087 -2.998 8.200 1.00 24.14 H new ATOM 0 HH22 ARG A 76 -19.911 -4.134 7.127 1.00 24.14 H new ATOM 1210 N SER A 77 -12.258 0.368 3.627 1.00 72.50 N ATOM 1211 CA SER A 77 -11.261 0.085 2.600 1.00 42.44 C ATOM 1212 C SER A 77 -9.862 0.453 3.085 1.00 43.44 C ATOM 1213 O SER A 77 -8.937 -0.357 3.021 1.00 14.54 O ATOM 1214 CB SER A 77 -11.587 0.855 1.319 1.00 31.35 C ATOM 1215 OG SER A 77 -12.544 1.872 1.564 1.00 20.12 O ATOM 0 H SER A 77 -13.050 0.924 3.304 1.00 72.50 H new ATOM 0 HA SER A 77 -11.284 -0.984 2.390 1.00 42.44 H new ATOM 0 HB2 SER A 77 -10.676 1.298 0.916 1.00 31.35 H new ATOM 0 HB3 SER A 77 -11.968 0.167 0.564 1.00 31.35 H new ATOM 0 HG SER A 77 -12.119 2.612 2.045 1.00 20.12 H new ATOM 1221 N LEU A 78 -9.716 1.681 3.572 1.00 13.00 N ATOM 1222 CA LEU A 78 -8.430 2.158 4.069 1.00 53.25 C ATOM 1223 C LEU A 78 -7.838 1.178 5.077 1.00 75.51 C ATOM 1224 O LEU A 78 -6.699 0.732 4.929 1.00 45.22 O ATOM 1225 CB LEU A 78 -8.591 3.536 4.716 1.00 35.54 C ATOM 1226 CG LEU A 78 -8.063 4.721 3.906 1.00 44.33 C ATOM 1227 CD1 LEU A 78 -6.626 4.477 3.475 1.00 0.05 C ATOM 1228 CD2 LEU A 78 -8.950 4.978 2.697 1.00 34.42 C ATOM 0 H LEU A 78 -10.472 2.364 3.633 1.00 13.00 H new ATOM 0 HA LEU A 78 -7.748 2.237 3.223 1.00 53.25 H new ATOM 0 HB2 LEU A 78 -9.650 3.701 4.916 1.00 35.54 H new ATOM 0 HB3 LEU A 78 -8.083 3.525 5.680 1.00 35.54 H new ATOM 0 HG LEU A 78 -8.083 5.607 4.540 1.00 44.33 H new ATOM 0 HD11 LEU A 78 -6.269 5.331 2.900 1.00 0.05 H new ATOM 0 HD12 LEU A 78 -5.999 4.345 4.357 1.00 0.05 H new ATOM 0 HD13 LEU A 78 -6.578 3.579 2.859 1.00 0.05 H new ATOM 0 HD21 LEU A 78 -8.559 5.825 2.132 1.00 34.42 H new ATOM 0 HD22 LEU A 78 -8.964 4.093 2.061 1.00 34.42 H new ATOM 0 HD23 LEU A 78 -9.964 5.201 3.030 1.00 34.42 H new ATOM 1240 N TYR A 79 -8.618 0.844 6.099 1.00 62.00 N ATOM 1241 CA TYR A 79 -8.170 -0.085 7.130 1.00 44.22 C ATOM 1242 C TYR A 79 -7.591 -1.351 6.509 1.00 61.15 C ATOM 1243 O TYR A 79 -6.489 -1.776 6.853 1.00 11.13 O ATOM 1244 CB TYR A 79 -9.331 -0.444 8.060 1.00 11.21 C ATOM 1245 CG TYR A 79 -8.900 -1.181 9.308 1.00 33.13 C ATOM 1246 CD1 TYR A 79 -8.207 -0.529 10.320 1.00 12.33 C ATOM 1247 CD2 TYR A 79 -9.186 -2.531 9.474 1.00 51.03 C ATOM 1248 CE1 TYR A 79 -7.810 -1.199 11.462 1.00 4.14 C ATOM 1249 CE2 TYR A 79 -8.795 -3.208 10.613 1.00 61.51 C ATOM 1250 CZ TYR A 79 -8.108 -2.538 11.603 1.00 61.31 C ATOM 1251 OH TYR A 79 -7.715 -3.210 12.738 1.00 63.14 O ATOM 0 H TYR A 79 -9.563 1.202 6.236 1.00 62.00 H new ATOM 0 HA TYR A 79 -7.386 0.404 7.709 1.00 44.22 H new ATOM 0 HB2 TYR A 79 -9.850 0.470 8.349 1.00 11.21 H new ATOM 0 HB3 TYR A 79 -10.047 -1.059 7.514 1.00 11.21 H new ATOM 0 HD1 TYR A 79 -7.974 0.520 10.213 1.00 12.33 H new ATOM 0 HD2 TYR A 79 -9.723 -3.059 8.700 1.00 51.03 H new ATOM 0 HE1 TYR A 79 -7.270 -0.677 12.238 1.00 4.14 H new ATOM 0 HE2 TYR A 79 -9.026 -4.257 10.727 1.00 61.51 H new ATOM 0 HH TYR A 79 -8.351 -3.931 12.928 1.00 63.14 H new ATOM 1261 N ASN A 80 -8.343 -1.951 5.591 1.00 44.44 N ATOM 1262 CA ASN A 80 -7.905 -3.169 4.920 1.00 43.34 C ATOM 1263 C ASN A 80 -6.712 -2.892 4.012 1.00 12.43 C ATOM 1264 O ASN A 80 -5.964 -3.802 3.653 1.00 43.24 O ATOM 1265 CB ASN A 80 -9.053 -3.768 4.105 1.00 11.10 C ATOM 1266 CG ASN A 80 -10.029 -4.546 4.966 1.00 30.43 C ATOM 1267 OD1 ASN A 80 -9.506 -5.469 5.766 1.00 22.53 O flip ATOM 1268 ND2 ASN A 80 -11.238 -4.321 4.913 1.00 11.14 N flip ATOM 0 H ASN A 80 -9.259 -1.613 5.295 1.00 44.44 H new ATOM 0 HA ASN A 80 -7.598 -3.884 5.683 1.00 43.34 H new ATOM 0 HB2 ASN A 80 -9.585 -2.968 3.590 1.00 11.10 H new ATOM 0 HB3 ASN A 80 -8.645 -4.426 3.337 1.00 11.10 H new ATOM 0 HD21 ASN A 80 -11.596 -3.602 4.284 1.00 11.14 H new ATOM 0 HD22 ASN A 80 -11.882 -4.853 5.498 1.00 11.14 H new ATOM 1275 N THR A 81 -6.537 -1.626 3.643 1.00 4.44 N ATOM 1276 CA THR A 81 -5.436 -1.227 2.776 1.00 31.24 C ATOM 1277 C THR A 81 -4.147 -1.051 3.571 1.00 12.20 C ATOM 1278 O THR A 81 -3.193 -1.810 3.399 1.00 52.52 O ATOM 1279 CB THR A 81 -5.752 0.085 2.034 1.00 14.31 C ATOM 1280 OG1 THR A 81 -7.004 -0.029 1.349 1.00 22.11 O ATOM 1281 CG2 THR A 81 -4.653 0.422 1.038 1.00 74.33 C ATOM 0 H THR A 81 -7.145 -0.860 3.932 1.00 4.44 H new ATOM 0 HA THR A 81 -5.303 -2.025 2.046 1.00 31.24 H new ATOM 0 HB THR A 81 -5.812 0.887 2.770 1.00 14.31 H new ATOM 0 HG1 THR A 81 -7.738 0.070 1.991 1.00 22.11 H new ATOM 0 HG21 THR A 81 -4.899 1.353 0.526 1.00 74.33 H new ATOM 0 HG22 THR A 81 -3.706 0.537 1.566 1.00 74.33 H new ATOM 0 HG23 THR A 81 -4.565 -0.382 0.307 1.00 74.33 H new ATOM 1289 N ILE A 82 -4.126 -0.046 4.439 1.00 4.11 N ATOM 1290 CA ILE A 82 -2.955 0.229 5.261 1.00 75.13 C ATOM 1291 C ILE A 82 -2.443 -1.043 5.931 1.00 54.41 C ATOM 1292 O ILE A 82 -1.237 -1.239 6.075 1.00 14.35 O ATOM 1293 CB ILE A 82 -3.260 1.279 6.346 1.00 20.03 C ATOM 1294 CG1 ILE A 82 -3.686 2.600 5.702 1.00 11.13 C ATOM 1295 CG2 ILE A 82 -2.048 1.486 7.240 1.00 75.24 C ATOM 1296 CD1 ILE A 82 -4.987 3.145 6.245 1.00 1.33 C ATOM 0 H ILE A 82 -4.907 0.592 4.591 1.00 4.11 H new ATOM 0 HA ILE A 82 -2.188 0.621 4.594 1.00 75.13 H new ATOM 0 HB ILE A 82 -4.082 0.915 6.962 1.00 20.03 H new ATOM 0 HG12 ILE A 82 -2.900 3.339 5.855 1.00 11.13 H new ATOM 0 HG13 ILE A 82 -3.783 2.456 4.626 1.00 11.13 H new ATOM 0 HG21 ILE A 82 -2.280 2.231 8.001 1.00 75.24 H new ATOM 0 HG22 ILE A 82 -1.786 0.544 7.722 1.00 75.24 H new ATOM 0 HG23 ILE A 82 -1.207 1.832 6.639 1.00 75.24 H new ATOM 0 HD11 ILE A 82 -5.227 4.082 5.743 1.00 1.33 H new ATOM 0 HD12 ILE A 82 -5.785 2.424 6.068 1.00 1.33 H new ATOM 0 HD13 ILE A 82 -4.889 3.322 7.316 1.00 1.33 H new ATOM 1308 N ALA A 83 -3.369 -1.905 6.337 1.00 53.32 N ATOM 1309 CA ALA A 83 -3.012 -3.159 6.988 1.00 20.03 C ATOM 1310 C ALA A 83 -2.129 -4.013 6.086 1.00 34.13 C ATOM 1311 O ALA A 83 -1.215 -4.691 6.556 1.00 74.01 O ATOM 1312 CB ALA A 83 -4.267 -3.925 7.380 1.00 33.51 C ATOM 0 H ALA A 83 -4.372 -1.758 6.227 1.00 53.32 H new ATOM 0 HA ALA A 83 -2.446 -2.924 7.889 1.00 20.03 H new ATOM 0 HB1 ALA A 83 -3.986 -4.860 7.865 1.00 33.51 H new ATOM 0 HB2 ALA A 83 -4.861 -3.323 8.068 1.00 33.51 H new ATOM 0 HB3 ALA A 83 -4.855 -4.142 6.488 1.00 33.51 H new ATOM 1318 N VAL A 84 -2.406 -3.977 4.787 1.00 4.14 N ATOM 1319 CA VAL A 84 -1.636 -4.748 3.818 1.00 3.00 C ATOM 1320 C VAL A 84 -0.261 -4.129 3.592 1.00 3.05 C ATOM 1321 O VAL A 84 0.705 -4.830 3.288 1.00 0.30 O ATOM 1322 CB VAL A 84 -2.370 -4.846 2.467 1.00 61.33 C ATOM 1323 CG1 VAL A 84 -1.552 -5.655 1.472 1.00 12.10 C ATOM 1324 CG2 VAL A 84 -3.751 -5.457 2.656 1.00 2.20 C ATOM 0 H VAL A 84 -3.159 -3.422 4.381 1.00 4.14 H new ATOM 0 HA VAL A 84 -1.518 -5.749 4.232 1.00 3.00 H new ATOM 0 HB VAL A 84 -2.494 -3.840 2.066 1.00 61.33 H new ATOM 0 HG11 VAL A 84 -2.086 -5.713 0.524 1.00 12.10 H new ATOM 0 HG12 VAL A 84 -0.588 -5.172 1.316 1.00 12.10 H new ATOM 0 HG13 VAL A 84 -1.395 -6.660 1.862 1.00 12.10 H new ATOM 0 HG21 VAL A 84 -4.256 -5.519 1.692 1.00 2.20 H new ATOM 0 HG22 VAL A 84 -3.652 -6.457 3.079 1.00 2.20 H new ATOM 0 HG23 VAL A 84 -4.335 -4.833 3.332 1.00 2.20 H new ATOM 1334 N LEU A 85 -0.179 -2.811 3.742 1.00 31.13 N ATOM 1335 CA LEU A 85 1.079 -2.097 3.556 1.00 10.05 C ATOM 1336 C LEU A 85 1.990 -2.271 4.766 1.00 44.34 C ATOM 1337 O LEU A 85 3.192 -2.491 4.625 1.00 40.02 O ATOM 1338 CB LEU A 85 0.812 -0.610 3.313 1.00 22.41 C ATOM 1339 CG LEU A 85 2.047 0.281 3.182 1.00 34.23 C ATOM 1340 CD1 LEU A 85 3.004 -0.282 2.142 1.00 10.43 C ATOM 1341 CD2 LEU A 85 1.644 1.704 2.824 1.00 42.41 C ATOM 0 H LEU A 85 -0.969 -2.216 3.992 1.00 31.13 H new ATOM 0 HA LEU A 85 1.581 -2.518 2.685 1.00 10.05 H new ATOM 0 HB2 LEU A 85 0.220 -0.512 2.403 1.00 22.41 H new ATOM 0 HB3 LEU A 85 0.202 -0.232 4.133 1.00 22.41 H new ATOM 0 HG LEU A 85 2.559 0.302 4.144 1.00 34.23 H new ATOM 0 HD11 LEU A 85 3.877 0.366 2.063 1.00 10.43 H new ATOM 0 HD12 LEU A 85 3.320 -1.281 2.441 1.00 10.43 H new ATOM 0 HD13 LEU A 85 2.502 -0.334 1.176 1.00 10.43 H new ATOM 0 HD21 LEU A 85 2.536 2.323 2.735 1.00 42.41 H new ATOM 0 HD22 LEU A 85 1.107 1.702 1.875 1.00 42.41 H new ATOM 0 HD23 LEU A 85 0.999 2.107 3.605 1.00 42.41 H new ATOM 1353 N TYR A 86 1.407 -2.172 5.956 1.00 42.15 N ATOM 1354 CA TYR A 86 2.166 -2.318 7.193 1.00 30.21 C ATOM 1355 C TYR A 86 3.041 -3.568 7.151 1.00 14.55 C ATOM 1356 O TYR A 86 4.206 -3.536 7.548 1.00 70.14 O ATOM 1357 CB TYR A 86 1.219 -2.387 8.392 1.00 54.44 C ATOM 1358 CG TYR A 86 1.910 -2.737 9.691 1.00 15.32 C ATOM 1359 CD1 TYR A 86 2.597 -1.772 10.416 1.00 73.21 C ATOM 1360 CD2 TYR A 86 1.875 -4.033 10.191 1.00 43.35 C ATOM 1361 CE1 TYR A 86 3.231 -2.088 11.602 1.00 60.52 C ATOM 1362 CE2 TYR A 86 2.505 -4.358 11.377 1.00 42.53 C ATOM 1363 CZ TYR A 86 3.181 -3.382 12.079 1.00 14.44 C ATOM 1364 OH TYR A 86 3.810 -3.700 13.261 1.00 73.13 O ATOM 0 H TYR A 86 0.412 -1.991 6.090 1.00 42.15 H new ATOM 0 HA TYR A 86 2.812 -1.446 7.298 1.00 30.21 H new ATOM 0 HB2 TYR A 86 0.718 -1.425 8.504 1.00 54.44 H new ATOM 0 HB3 TYR A 86 0.445 -3.128 8.191 1.00 54.44 H new ATOM 0 HD1 TYR A 86 2.636 -0.758 10.047 1.00 73.21 H new ATOM 0 HD2 TYR A 86 1.346 -4.799 9.643 1.00 43.35 H new ATOM 0 HE1 TYR A 86 3.763 -1.326 12.153 1.00 60.52 H new ATOM 0 HE2 TYR A 86 2.468 -5.370 11.752 1.00 42.53 H new ATOM 0 HH TYR A 86 4.393 -4.475 13.123 1.00 73.13 H new ATOM 1374 N CYS A 87 2.472 -4.665 6.663 1.00 42.23 N ATOM 1375 CA CYS A 87 3.200 -5.925 6.568 1.00 3.12 C ATOM 1376 C CYS A 87 4.291 -5.845 5.506 1.00 1.13 C ATOM 1377 O CYS A 87 5.351 -6.454 5.642 1.00 22.44 O ATOM 1378 CB CYS A 87 2.238 -7.069 6.243 1.00 44.35 C ATOM 1379 SG CYS A 87 1.445 -7.801 7.693 1.00 64.35 S ATOM 0 H CYS A 87 1.510 -4.707 6.327 1.00 42.23 H new ATOM 0 HA CYS A 87 3.671 -6.118 7.532 1.00 3.12 H new ATOM 0 HB2 CYS A 87 1.466 -6.700 5.568 1.00 44.35 H new ATOM 0 HB3 CYS A 87 2.783 -7.847 5.709 1.00 44.35 H new ATOM 0 HG CYS A 87 0.200 -8.058 7.423 1.00 64.35 H new ATOM 1385 N VAL A 88 4.023 -5.088 4.446 1.00 3.33 N ATOM 1386 CA VAL A 88 4.981 -4.928 3.359 1.00 10.41 C ATOM 1387 C VAL A 88 6.271 -4.283 3.854 1.00 3.13 C ATOM 1388 O VAL A 88 7.354 -4.564 3.341 1.00 12.02 O ATOM 1389 CB VAL A 88 4.398 -4.072 2.218 1.00 65.12 C ATOM 1390 CG1 VAL A 88 5.422 -3.893 1.108 1.00 51.54 C ATOM 1391 CG2 VAL A 88 3.122 -4.702 1.680 1.00 41.42 C ATOM 0 H VAL A 88 3.150 -4.576 4.317 1.00 3.33 H new ATOM 0 HA VAL A 88 5.199 -5.926 2.980 1.00 10.41 H new ATOM 0 HB VAL A 88 4.152 -3.087 2.615 1.00 65.12 H new ATOM 0 HG11 VAL A 88 4.992 -3.286 0.311 1.00 51.54 H new ATOM 0 HG12 VAL A 88 6.307 -3.396 1.506 1.00 51.54 H new ATOM 0 HG13 VAL A 88 5.702 -4.869 0.710 1.00 51.54 H new ATOM 0 HG21 VAL A 88 2.723 -4.085 0.875 1.00 41.42 H new ATOM 0 HG22 VAL A 88 3.341 -5.699 1.298 1.00 41.42 H new ATOM 0 HG23 VAL A 88 2.386 -4.774 2.481 1.00 41.42 H new ATOM 1401 N HIS A 89 6.147 -3.418 4.856 1.00 12.22 N ATOM 1402 CA HIS A 89 7.304 -2.733 5.423 1.00 11.42 C ATOM 1403 C HIS A 89 7.885 -3.527 6.589 1.00 51.41 C ATOM 1404 O HIS A 89 9.089 -3.401 6.812 1.00 60.35 O ATOM 1405 CB HIS A 89 6.914 -1.331 5.889 1.00 54.44 C ATOM 1406 CG HIS A 89 6.478 -0.428 4.776 1.00 43.42 C ATOM 1407 ND1 HIS A 89 7.159 -0.322 3.582 1.00 54.10 N ATOM 1408 CD2 HIS A 89 5.421 0.412 4.679 1.00 44.22 C ATOM 1409 CE1 HIS A 89 6.541 0.545 2.801 1.00 24.14 C ATOM 1410 NE2 HIS A 89 5.482 1.004 3.443 1.00 45.42 N ATOM 0 H HIS A 89 5.258 -3.175 5.292 1.00 12.22 H new ATOM 0 HA HIS A 89 8.065 -2.651 4.647 1.00 11.42 H new ATOM 0 HB2 HIS A 89 6.107 -1.411 6.618 1.00 54.44 H new ATOM 0 HB3 HIS A 89 7.763 -0.878 6.401 1.00 54.44 H new ATOM 0 HD2 HIS A 89 4.669 0.584 5.435 1.00 44.22 H new ATOM 0 HE1 HIS A 89 6.849 0.830 1.806 1.00 24.14 H new ATOM 0 HE2 HIS A 89 4.818 1.687 3.079 1.00 45.42 H new ATOM 1419 N GLN A 90 7.092 -4.311 7.311 1.00 63.31 N ATOM 1420 CA GLN A 90 7.604 -5.087 8.435 1.00 1.03 C ATOM 1421 C GLN A 90 8.174 -6.420 7.962 1.00 61.20 C ATOM 1422 O GLN A 90 8.553 -7.267 8.771 1.00 53.34 O ATOM 1423 CB GLN A 90 6.496 -5.329 9.462 1.00 2.41 C ATOM 1424 CG GLN A 90 6.789 -4.725 10.826 1.00 3.04 C ATOM 1425 CD GLN A 90 6.659 -5.734 11.951 1.00 11.24 C ATOM 1426 OE1 GLN A 90 5.554 -6.132 12.318 1.00 61.10 O ATOM 1427 NE2 GLN A 90 7.792 -6.152 12.504 1.00 24.04 N ATOM 0 H GLN A 90 6.093 -4.426 7.138 1.00 63.31 H new ATOM 0 HA GLN A 90 8.405 -4.515 8.903 1.00 1.03 H new ATOM 0 HB2 GLN A 90 5.563 -4.913 9.082 1.00 2.41 H new ATOM 0 HB3 GLN A 90 6.344 -6.403 9.574 1.00 2.41 H new ATOM 0 HG2 GLN A 90 7.798 -4.313 10.827 1.00 3.04 H new ATOM 0 HG3 GLN A 90 6.105 -3.895 11.006 1.00 3.04 H new ATOM 0 HE21 GLN A 90 8.686 -5.795 12.167 1.00 24.04 H new ATOM 0 HE22 GLN A 90 7.768 -6.830 13.265 1.00 24.04 H new ATOM 1436 N ARG A 91 8.231 -6.600 6.646 1.00 14.12 N ATOM 1437 CA ARG A 91 8.753 -7.831 6.065 1.00 31.00 C ATOM 1438 C ARG A 91 7.882 -9.024 6.445 1.00 41.22 C ATOM 1439 O ARG A 91 8.379 -10.037 6.937 1.00 11.31 O ATOM 1440 CB ARG A 91 10.192 -8.068 6.529 1.00 1.24 C ATOM 1441 CG ARG A 91 11.051 -8.791 5.504 1.00 65.54 C ATOM 1442 CD ARG A 91 12.224 -9.500 6.162 1.00 54.14 C ATOM 1443 NE ARG A 91 13.352 -8.598 6.383 1.00 71.54 N ATOM 1444 CZ ARG A 91 14.121 -8.130 5.407 1.00 33.32 C ATOM 1445 NH1 ARG A 91 13.883 -8.475 4.149 1.00 55.41 N ATOM 1446 NH2 ARG A 91 15.129 -7.314 5.688 1.00 3.45 N ATOM 0 H ARG A 91 7.922 -5.909 5.962 1.00 14.12 H new ATOM 0 HA ARG A 91 8.740 -7.725 4.980 1.00 31.00 H new ATOM 0 HB2 ARG A 91 10.652 -7.108 6.764 1.00 1.24 H new ATOM 0 HB3 ARG A 91 10.176 -8.648 7.452 1.00 1.24 H new ATOM 0 HG2 ARG A 91 10.442 -9.516 4.964 1.00 65.54 H new ATOM 0 HG3 ARG A 91 11.422 -8.076 4.769 1.00 65.54 H new ATOM 0 HD2 ARG A 91 11.905 -9.922 7.115 1.00 54.14 H new ATOM 0 HD3 ARG A 91 12.543 -10.333 5.535 1.00 54.14 H new ATOM 0 HE ARG A 91 13.560 -8.312 7.340 1.00 71.54 H new ATOM 0 HH11 ARG A 91 13.108 -9.101 3.930 1.00 55.41 H new ATOM 0 HH12 ARG A 91 14.475 -8.114 3.401 1.00 55.41 H new ATOM 0 HH21 ARG A 91 15.314 -7.046 6.655 1.00 3.45 H new ATOM 0 HH22 ARG A 91 15.719 -6.955 4.937 1.00 3.45 H new ATOM 1460 N ILE A 92 6.579 -8.896 6.214 1.00 10.32 N ATOM 1461 CA ILE A 92 5.639 -9.963 6.531 1.00 5.32 C ATOM 1462 C ILE A 92 4.891 -10.426 5.285 1.00 52.22 C ATOM 1463 O ILE A 92 4.312 -9.616 4.560 1.00 33.24 O ATOM 1464 CB ILE A 92 4.617 -9.516 7.593 1.00 41.02 C ATOM 1465 CG1 ILE A 92 5.336 -9.036 8.855 1.00 55.31 C ATOM 1466 CG2 ILE A 92 3.662 -10.655 7.922 1.00 10.31 C ATOM 1467 CD1 ILE A 92 4.399 -8.556 9.941 1.00 22.44 C ATOM 0 H ILE A 92 6.151 -8.064 5.808 1.00 10.32 H new ATOM 0 HA ILE A 92 6.225 -10.792 6.928 1.00 5.32 H new ATOM 0 HB ILE A 92 4.037 -8.686 7.190 1.00 41.02 H new ATOM 0 HG12 ILE A 92 5.946 -9.850 9.247 1.00 55.31 H new ATOM 0 HG13 ILE A 92 6.016 -8.227 8.590 1.00 55.31 H new ATOM 0 HG21 ILE A 92 2.946 -10.324 8.674 1.00 10.31 H new ATOM 0 HG22 ILE A 92 3.129 -10.955 7.020 1.00 10.31 H new ATOM 0 HG23 ILE A 92 4.227 -11.503 8.308 1.00 10.31 H new ATOM 0 HD11 ILE A 92 4.979 -8.231 10.805 1.00 22.44 H new ATOM 0 HD12 ILE A 92 3.806 -7.721 9.567 1.00 22.44 H new ATOM 0 HD13 ILE A 92 3.735 -9.369 10.235 1.00 22.44 H new ATOM 1479 N ASP A 93 4.906 -11.732 5.044 1.00 3.34 N ATOM 1480 CA ASP A 93 4.227 -12.303 3.887 1.00 31.12 C ATOM 1481 C ASP A 93 2.795 -12.697 4.237 1.00 71.32 C ATOM 1482 O ASP A 93 2.568 -13.657 4.974 1.00 43.21 O ATOM 1483 CB ASP A 93 4.993 -13.521 3.369 1.00 42.11 C ATOM 1484 CG ASP A 93 4.593 -13.899 1.956 1.00 22.10 C ATOM 1485 OD1 ASP A 93 4.582 -13.007 1.083 1.00 31.13 O ATOM 1486 OD2 ASP A 93 4.291 -15.089 1.724 1.00 2.05 O ATOM 0 H ASP A 93 5.381 -12.415 5.634 1.00 3.34 H new ATOM 0 HA ASP A 93 4.195 -11.545 3.105 1.00 31.12 H new ATOM 0 HB2 ASP A 93 6.063 -13.313 3.397 1.00 42.11 H new ATOM 0 HB3 ASP A 93 4.815 -14.367 4.032 1.00 42.11 H new ATOM 1491 N VAL A 94 1.834 -11.951 3.704 1.00 20.12 N ATOM 1492 CA VAL A 94 0.424 -12.223 3.959 1.00 54.34 C ATOM 1493 C VAL A 94 -0.217 -12.952 2.785 1.00 23.12 C ATOM 1494 O VAL A 94 0.053 -12.642 1.625 1.00 12.44 O ATOM 1495 CB VAL A 94 -0.358 -10.923 4.232 1.00 33.12 C ATOM 1496 CG1 VAL A 94 0.245 -10.174 5.410 1.00 33.11 C ATOM 1497 CG2 VAL A 94 -0.382 -10.047 2.988 1.00 52.15 C ATOM 0 H VAL A 94 2.005 -11.153 3.092 1.00 20.12 H new ATOM 0 HA VAL A 94 0.379 -12.858 4.844 1.00 54.34 H new ATOM 0 HB VAL A 94 -1.385 -11.183 4.486 1.00 33.12 H new ATOM 0 HG11 VAL A 94 -0.320 -9.259 5.587 1.00 33.11 H new ATOM 0 HG12 VAL A 94 0.206 -10.803 6.299 1.00 33.11 H new ATOM 0 HG13 VAL A 94 1.282 -9.922 5.189 1.00 33.11 H new ATOM 0 HG21 VAL A 94 -0.938 -9.133 3.197 1.00 52.15 H new ATOM 0 HG22 VAL A 94 0.639 -9.793 2.702 1.00 52.15 H new ATOM 0 HG23 VAL A 94 -0.864 -10.586 2.173 1.00 52.15 H new ATOM 1507 N LYS A 95 -1.069 -13.924 3.093 1.00 21.31 N ATOM 1508 CA LYS A 95 -1.752 -14.699 2.063 1.00 72.01 C ATOM 1509 C LYS A 95 -2.926 -13.916 1.483 1.00 71.14 C ATOM 1510 O LYS A 95 -3.371 -14.183 0.366 1.00 73.44 O ATOM 1511 CB LYS A 95 -2.246 -16.028 2.640 1.00 10.11 C ATOM 1512 CG LYS A 95 -1.159 -17.084 2.752 1.00 43.55 C ATOM 1513 CD LYS A 95 -0.885 -17.448 4.202 1.00 34.22 C ATOM 1514 CE LYS A 95 0.397 -18.257 4.339 1.00 0.13 C ATOM 1515 NZ LYS A 95 0.132 -19.636 4.833 1.00 62.12 N ATOM 0 H LYS A 95 -1.303 -14.194 4.048 1.00 21.31 H new ATOM 0 HA LYS A 95 -1.041 -14.900 1.262 1.00 72.01 H new ATOM 0 HB2 LYS A 95 -2.671 -15.850 3.628 1.00 10.11 H new ATOM 0 HB3 LYS A 95 -3.050 -16.411 2.011 1.00 10.11 H new ATOM 0 HG2 LYS A 95 -1.459 -17.976 2.202 1.00 43.55 H new ATOM 0 HG3 LYS A 95 -0.244 -16.716 2.289 1.00 43.55 H new ATOM 0 HD2 LYS A 95 -0.809 -16.539 4.799 1.00 34.22 H new ATOM 0 HD3 LYS A 95 -1.723 -18.021 4.599 1.00 34.22 H new ATOM 0 HE2 LYS A 95 0.900 -18.308 3.373 1.00 0.13 H new ATOM 0 HE3 LYS A 95 1.075 -17.749 5.025 1.00 0.13 H new ATOM 0 HZ1 LYS A 95 1.030 -20.155 4.913 1.00 62.12 H new ATOM 0 HZ2 LYS A 95 -0.325 -19.589 5.766 1.00 62.12 H new ATOM 0 HZ3 LYS A 95 -0.495 -20.129 4.166 1.00 62.12 H new ATOM 1529 N ASP A 96 -3.422 -12.949 2.247 1.00 70.42 N ATOM 1530 CA ASP A 96 -4.542 -12.126 1.807 1.00 20.23 C ATOM 1531 C ASP A 96 -4.815 -11.003 2.803 1.00 22.34 C ATOM 1532 O ASP A 96 -4.150 -10.896 3.833 1.00 64.33 O ATOM 1533 CB ASP A 96 -5.796 -12.985 1.631 1.00 61.43 C ATOM 1534 CG ASP A 96 -6.129 -13.785 2.877 1.00 11.53 C ATOM 1535 OD1 ASP A 96 -6.699 -13.201 3.822 1.00 33.24 O ATOM 1536 OD2 ASP A 96 -5.820 -14.994 2.905 1.00 55.11 O ATOM 0 H ASP A 96 -3.066 -12.716 3.174 1.00 70.42 H new ATOM 0 HA ASP A 96 -4.279 -11.681 0.848 1.00 20.23 H new ATOM 0 HB2 ASP A 96 -6.640 -12.343 1.378 1.00 61.43 H new ATOM 0 HB3 ASP A 96 -5.651 -13.667 0.793 1.00 61.43 H new ATOM 1541 N THR A 97 -5.799 -10.166 2.488 1.00 31.44 N ATOM 1542 CA THR A 97 -6.160 -9.050 3.353 1.00 75.22 C ATOM 1543 C THR A 97 -6.364 -9.513 4.791 1.00 22.21 C ATOM 1544 O THR A 97 -5.752 -8.983 5.718 1.00 3.53 O ATOM 1545 CB THR A 97 -7.440 -8.350 2.862 1.00 43.24 C ATOM 1546 OG1 THR A 97 -7.230 -7.799 1.558 1.00 50.01 O ATOM 1547 CG2 THR A 97 -7.856 -7.246 3.824 1.00 24.50 C ATOM 0 H THR A 97 -6.360 -10.240 1.640 1.00 31.44 H new ATOM 0 HA THR A 97 -5.333 -8.341 3.317 1.00 75.22 H new ATOM 0 HB THR A 97 -8.238 -9.092 2.817 1.00 43.24 H new ATOM 0 HG1 THR A 97 -7.657 -8.373 0.888 1.00 50.01 H new ATOM 0 HG21 THR A 97 -8.763 -6.766 3.456 1.00 24.50 H new ATOM 0 HG22 THR A 97 -8.046 -7.674 4.809 1.00 24.50 H new ATOM 0 HG23 THR A 97 -7.058 -6.507 3.897 1.00 24.50 H new ATOM 1555 N LYS A 98 -7.230 -10.505 4.970 1.00 22.13 N ATOM 1556 CA LYS A 98 -7.515 -11.041 6.296 1.00 20.25 C ATOM 1557 C LYS A 98 -6.235 -11.502 6.984 1.00 51.00 C ATOM 1558 O LYS A 98 -5.951 -11.106 8.113 1.00 75.54 O ATOM 1559 CB LYS A 98 -8.500 -12.208 6.194 1.00 64.25 C ATOM 1560 CG LYS A 98 -9.065 -12.646 7.535 1.00 3.12 C ATOM 1561 CD LYS A 98 -10.555 -12.363 7.632 1.00 21.32 C ATOM 1562 CE LYS A 98 -10.846 -10.872 7.546 1.00 25.42 C ATOM 1563 NZ LYS A 98 -12.058 -10.499 8.326 1.00 4.41 N ATOM 0 H LYS A 98 -7.747 -10.954 4.214 1.00 22.13 H new ATOM 0 HA LYS A 98 -7.961 -10.246 6.894 1.00 20.25 H new ATOM 0 HB2 LYS A 98 -9.323 -11.922 5.539 1.00 64.25 H new ATOM 0 HB3 LYS A 98 -7.999 -13.055 5.726 1.00 64.25 H new ATOM 0 HG2 LYS A 98 -8.886 -13.712 7.675 1.00 3.12 H new ATOM 0 HG3 LYS A 98 -8.542 -12.127 8.338 1.00 3.12 H new ATOM 0 HD2 LYS A 98 -11.078 -12.884 6.830 1.00 21.32 H new ATOM 0 HD3 LYS A 98 -10.941 -12.756 8.572 1.00 21.32 H new ATOM 0 HE2 LYS A 98 -9.988 -10.312 7.918 1.00 25.42 H new ATOM 0 HE3 LYS A 98 -10.984 -10.588 6.503 1.00 25.42 H new ATOM 0 HZ1 LYS A 98 -12.223 -9.476 8.243 1.00 4.41 H new ATOM 0 HZ2 LYS A 98 -12.882 -11.014 7.955 1.00 4.41 H new ATOM 0 HZ3 LYS A 98 -11.917 -10.747 9.326 1.00 4.41 H new ATOM 1577 N GLU A 99 -5.465 -12.339 6.294 1.00 10.14 N ATOM 1578 CA GLU A 99 -4.214 -12.852 6.840 1.00 4.34 C ATOM 1579 C GLU A 99 -3.415 -11.737 7.508 1.00 52.25 C ATOM 1580 O GLU A 99 -2.836 -11.928 8.578 1.00 4.44 O ATOM 1581 CB GLU A 99 -3.378 -13.501 5.735 1.00 62.11 C ATOM 1582 CG GLU A 99 -2.906 -14.905 6.075 1.00 45.34 C ATOM 1583 CD GLU A 99 -2.418 -15.026 7.506 1.00 55.32 C ATOM 1584 OE1 GLU A 99 -1.232 -14.724 7.756 1.00 62.31 O ATOM 1585 OE2 GLU A 99 -3.222 -15.420 8.376 1.00 21.52 O ATOM 0 H GLU A 99 -5.686 -12.676 5.357 1.00 10.14 H new ATOM 0 HA GLU A 99 -4.456 -13.603 7.592 1.00 4.34 H new ATOM 0 HB2 GLU A 99 -3.967 -13.537 4.819 1.00 62.11 H new ATOM 0 HB3 GLU A 99 -2.510 -12.874 5.532 1.00 62.11 H new ATOM 0 HG2 GLU A 99 -3.723 -15.608 5.913 1.00 45.34 H new ATOM 0 HG3 GLU A 99 -2.102 -15.188 5.396 1.00 45.34 H new ATOM 1592 N ALA A 100 -3.387 -10.571 6.869 1.00 62.34 N ATOM 1593 CA ALA A 100 -2.660 -9.425 7.401 1.00 40.03 C ATOM 1594 C ALA A 100 -3.182 -9.037 8.781 1.00 32.12 C ATOM 1595 O ALA A 100 -2.406 -8.850 9.719 1.00 2.22 O ATOM 1596 CB ALA A 100 -2.761 -8.246 6.445 1.00 41.44 C ATOM 0 H ALA A 100 -3.860 -10.396 5.982 1.00 62.34 H new ATOM 0 HA ALA A 100 -1.612 -9.706 7.504 1.00 40.03 H new ATOM 0 HB1 ALA A 100 -2.214 -7.397 6.855 1.00 41.44 H new ATOM 0 HB2 ALA A 100 -2.334 -8.522 5.481 1.00 41.44 H new ATOM 0 HB3 ALA A 100 -3.808 -7.973 6.313 1.00 41.44 H new ATOM 1602 N LEU A 101 -4.500 -8.916 8.896 1.00 63.13 N ATOM 1603 CA LEU A 101 -5.126 -8.550 10.162 1.00 54.54 C ATOM 1604 C LEU A 101 -4.742 -9.531 11.265 1.00 11.54 C ATOM 1605 O LEU A 101 -4.138 -9.149 12.267 1.00 3.11 O ATOM 1606 CB LEU A 101 -6.648 -8.507 10.008 1.00 73.13 C ATOM 1607 CG LEU A 101 -7.311 -7.154 10.270 1.00 21.25 C ATOM 1608 CD1 LEU A 101 -6.881 -6.600 11.618 1.00 51.13 C ATOM 1609 CD2 LEU A 101 -6.976 -6.172 9.155 1.00 65.15 C ATOM 0 H LEU A 101 -5.155 -9.066 8.129 1.00 63.13 H new ATOM 0 HA LEU A 101 -4.767 -7.560 10.442 1.00 54.54 H new ATOM 0 HB2 LEU A 101 -6.900 -8.822 8.995 1.00 73.13 H new ATOM 0 HB3 LEU A 101 -7.083 -9.240 10.688 1.00 73.13 H new ATOM 0 HG LEU A 101 -8.391 -7.298 10.289 1.00 21.25 H new ATOM 0 HD11 LEU A 101 -7.363 -5.637 11.786 1.00 51.13 H new ATOM 0 HD12 LEU A 101 -7.172 -7.294 12.406 1.00 51.13 H new ATOM 0 HD13 LEU A 101 -5.799 -6.471 11.630 1.00 51.13 H new ATOM 0 HD21 LEU A 101 -7.456 -5.214 9.357 1.00 65.15 H new ATOM 0 HD22 LEU A 101 -5.896 -6.033 9.105 1.00 65.15 H new ATOM 0 HD23 LEU A 101 -7.336 -6.565 8.204 1.00 65.15 H new ATOM 1621 N ASP A 102 -5.094 -10.797 11.071 1.00 2.30 N ATOM 1622 CA ASP A 102 -4.784 -11.834 12.048 1.00 25.50 C ATOM 1623 C ASP A 102 -3.278 -11.947 12.262 1.00 3.32 C ATOM 1624 O ASP A 102 -2.821 -12.558 13.227 1.00 32.24 O ATOM 1625 CB ASP A 102 -5.348 -13.180 11.589 1.00 71.44 C ATOM 1626 CG ASP A 102 -6.711 -13.471 12.187 1.00 3.23 C ATOM 1627 OD1 ASP A 102 -6.863 -13.323 13.418 1.00 62.51 O ATOM 1628 OD2 ASP A 102 -7.626 -13.845 11.424 1.00 31.13 O ATOM 0 H ASP A 102 -5.594 -11.130 10.247 1.00 2.30 H new ATOM 0 HA ASP A 102 -5.247 -11.557 12.995 1.00 25.50 H new ATOM 0 HB2 ASP A 102 -5.422 -13.188 10.502 1.00 71.44 H new ATOM 0 HB3 ASP A 102 -4.655 -13.975 11.867 1.00 71.44 H new ATOM 1633 N LYS A 103 -2.511 -11.353 11.353 1.00 1.41 N ATOM 1634 CA LYS A 103 -1.056 -11.385 11.441 1.00 52.31 C ATOM 1635 C LYS A 103 -0.541 -10.270 12.347 1.00 22.44 C ATOM 1636 O LYS A 103 0.184 -10.526 13.309 1.00 50.04 O ATOM 1637 CB LYS A 103 -0.437 -11.251 10.048 1.00 62.12 C ATOM 1638 CG LYS A 103 -0.140 -12.584 9.383 1.00 63.55 C ATOM 1639 CD LYS A 103 1.243 -13.094 9.750 1.00 33.33 C ATOM 1640 CE LYS A 103 1.302 -14.614 9.727 1.00 71.00 C ATOM 1641 NZ LYS A 103 2.561 -15.130 10.332 1.00 61.10 N ATOM 0 H LYS A 103 -2.873 -10.844 10.547 1.00 1.41 H new ATOM 0 HA LYS A 103 -0.764 -12.343 11.871 1.00 52.31 H new ATOM 0 HB2 LYS A 103 -1.114 -10.680 9.412 1.00 62.12 H new ATOM 0 HB3 LYS A 103 0.487 -10.679 10.124 1.00 62.12 H new ATOM 0 HG2 LYS A 103 -0.890 -13.316 9.682 1.00 63.55 H new ATOM 0 HG3 LYS A 103 -0.214 -12.476 8.301 1.00 63.55 H new ATOM 0 HD2 LYS A 103 1.977 -12.690 9.053 1.00 33.33 H new ATOM 0 HD3 LYS A 103 1.513 -12.733 10.743 1.00 33.33 H new ATOM 0 HE2 LYS A 103 0.447 -15.019 10.268 1.00 71.00 H new ATOM 0 HE3 LYS A 103 1.223 -14.965 8.698 1.00 71.00 H new ATOM 0 HZ1 LYS A 103 2.562 -16.169 10.297 1.00 61.10 H new ATOM 0 HZ2 LYS A 103 3.377 -14.765 9.800 1.00 61.10 H new ATOM 0 HZ3 LYS A 103 2.624 -14.817 11.322 1.00 61.10 H new ATOM 1655 N ILE A 104 -0.921 -9.037 12.033 1.00 52.42 N ATOM 1656 CA ILE A 104 -0.499 -7.884 12.820 1.00 73.45 C ATOM 1657 C ILE A 104 -0.937 -8.022 14.274 1.00 60.13 C ATOM 1658 O ILE A 104 -0.302 -7.479 15.177 1.00 42.33 O ATOM 1659 CB ILE A 104 -1.066 -6.573 12.247 1.00 54.02 C ATOM 1660 CG1 ILE A 104 -0.600 -6.378 10.803 1.00 13.30 C ATOM 1661 CG2 ILE A 104 -0.645 -5.392 13.109 1.00 41.13 C ATOM 1662 CD1 ILE A 104 -1.339 -5.279 10.071 1.00 65.34 C ATOM 0 H ILE A 104 -1.520 -8.810 11.239 1.00 52.42 H new ATOM 0 HA ILE A 104 0.589 -7.850 12.772 1.00 73.45 H new ATOM 0 HB ILE A 104 -2.154 -6.632 12.253 1.00 54.02 H new ATOM 0 HG12 ILE A 104 0.466 -6.151 10.802 1.00 13.30 H new ATOM 0 HG13 ILE A 104 -0.727 -7.314 10.259 1.00 13.30 H new ATOM 0 HG21 ILE A 104 -1.054 -4.472 12.691 1.00 41.13 H new ATOM 0 HG22 ILE A 104 -1.022 -5.529 14.123 1.00 41.13 H new ATOM 0 HG23 ILE A 104 0.443 -5.328 13.132 1.00 41.13 H new ATOM 0 HD11 ILE A 104 -0.956 -5.198 9.054 1.00 65.34 H new ATOM 0 HD12 ILE A 104 -2.403 -5.514 10.040 1.00 65.34 H new ATOM 0 HD13 ILE A 104 -1.191 -4.332 10.591 1.00 65.34 H new ATOM 1674 N GLU A 105 -2.025 -8.755 14.492 1.00 2.02 N ATOM 1675 CA GLU A 105 -2.548 -8.965 15.837 1.00 54.31 C ATOM 1676 C GLU A 105 -1.860 -10.150 16.508 1.00 43.32 C ATOM 1677 O GLU A 105 -1.597 -10.128 17.710 1.00 14.10 O ATOM 1678 CB GLU A 105 -4.059 -9.196 15.791 1.00 61.13 C ATOM 1679 CG GLU A 105 -4.670 -9.496 17.150 1.00 31.13 C ATOM 1680 CD GLU A 105 -4.643 -8.297 18.078 1.00 62.41 C ATOM 1681 OE1 GLU A 105 -4.172 -7.224 17.647 1.00 65.31 O ATOM 1682 OE2 GLU A 105 -5.093 -8.433 19.236 1.00 10.14 O ATOM 0 H GLU A 105 -2.561 -9.213 13.755 1.00 2.02 H new ATOM 0 HA GLU A 105 -2.344 -8.069 16.423 1.00 54.31 H new ATOM 0 HB2 GLU A 105 -4.541 -8.312 15.372 1.00 61.13 H new ATOM 0 HB3 GLU A 105 -4.271 -10.025 15.116 1.00 61.13 H new ATOM 0 HG2 GLU A 105 -5.701 -9.825 17.016 1.00 31.13 H new ATOM 0 HG3 GLU A 105 -4.130 -10.322 17.613 1.00 31.13 H new ATOM 1689 N GLU A 106 -1.573 -11.183 15.723 1.00 24.24 N ATOM 1690 CA GLU A 106 -0.919 -12.378 16.242 1.00 21.44 C ATOM 1691 C GLU A 106 0.487 -12.056 16.739 1.00 12.34 C ATOM 1692 O GLU A 106 1.016 -12.733 17.619 1.00 71.42 O ATOM 1693 CB GLU A 106 -0.854 -13.461 15.162 1.00 42.33 C ATOM 1694 CG GLU A 106 0.003 -14.655 15.549 1.00 31.30 C ATOM 1695 CD GLU A 106 -0.349 -15.904 14.764 1.00 44.22 C ATOM 1696 OE1 GLU A 106 -1.546 -16.095 14.460 1.00 34.35 O ATOM 1697 OE2 GLU A 106 0.570 -16.690 14.454 1.00 54.20 O ATOM 0 H GLU A 106 -1.783 -11.216 14.725 1.00 24.24 H new ATOM 0 HA GLU A 106 -1.507 -12.747 17.082 1.00 21.44 H new ATOM 0 HB2 GLU A 106 -1.865 -13.805 14.943 1.00 42.33 H new ATOM 0 HB3 GLU A 106 -0.461 -13.024 14.244 1.00 42.33 H new ATOM 0 HG2 GLU A 106 1.053 -14.412 15.386 1.00 31.30 H new ATOM 0 HG3 GLU A 106 -0.117 -14.854 16.614 1.00 31.30 H new ATOM 1704 N GLU A 107 1.087 -11.016 16.167 1.00 43.11 N ATOM 1705 CA GLU A 107 2.432 -10.605 16.551 1.00 10.22 C ATOM 1706 C GLU A 107 2.435 -9.992 17.949 1.00 13.02 C ATOM 1707 O GLU A 107 3.387 -10.165 18.711 1.00 10.43 O ATOM 1708 CB GLU A 107 2.990 -9.600 15.541 1.00 52.02 C ATOM 1709 CG GLU A 107 4.501 -9.665 15.388 1.00 45.43 C ATOM 1710 CD GLU A 107 5.103 -8.335 14.977 1.00 62.42 C ATOM 1711 OE1 GLU A 107 4.334 -7.424 14.607 1.00 31.25 O ATOM 1712 OE2 GLU A 107 6.344 -8.207 15.025 1.00 54.21 O ATOM 0 H GLU A 107 0.663 -10.444 15.437 1.00 43.11 H new ATOM 0 HA GLU A 107 3.067 -11.491 16.560 1.00 10.22 H new ATOM 0 HB2 GLU A 107 2.527 -9.778 14.570 1.00 52.02 H new ATOM 0 HB3 GLU A 107 2.707 -8.593 15.849 1.00 52.02 H new ATOM 0 HG2 GLU A 107 4.945 -9.985 16.331 1.00 45.43 H new ATOM 0 HG3 GLU A 107 4.755 -10.420 14.644 1.00 45.43 H new ATOM 1719 N GLN A 108 1.365 -9.276 18.277 1.00 74.25 N ATOM 1720 CA GLN A 108 1.245 -8.638 19.583 1.00 14.30 C ATOM 1721 C GLN A 108 0.995 -9.672 20.675 1.00 5.15 C ATOM 1722 O GLN A 108 1.373 -9.475 21.828 1.00 42.12 O ATOM 1723 CB GLN A 108 0.113 -7.609 19.569 1.00 41.31 C ATOM 1724 CG GLN A 108 0.546 -6.234 19.088 1.00 34.02 C ATOM 1725 CD GLN A 108 1.436 -5.519 20.086 1.00 45.05 C ATOM 1726 OE1 GLN A 108 1.194 -5.564 21.293 1.00 72.15 O ATOM 1727 NE2 GLN A 108 2.472 -4.855 19.588 1.00 24.34 N ATOM 0 H GLN A 108 0.569 -9.123 17.657 1.00 74.25 H new ATOM 0 HA GLN A 108 2.185 -8.131 19.799 1.00 14.30 H new ATOM 0 HB2 GLN A 108 -0.690 -7.973 18.927 1.00 41.31 H new ATOM 0 HB3 GLN A 108 -0.298 -7.520 20.575 1.00 41.31 H new ATOM 0 HG2 GLN A 108 1.077 -6.335 18.141 1.00 34.02 H new ATOM 0 HG3 GLN A 108 -0.338 -5.626 18.895 1.00 34.02 H new ATOM 0 HE21 GLN A 108 2.635 -4.844 18.581 1.00 24.34 H new ATOM 0 HE22 GLN A 108 3.105 -4.355 20.212 1.00 24.34 H new ATOM 1736 N ASN A 109 0.355 -10.776 20.301 1.00 41.34 N ATOM 1737 CA ASN A 109 0.053 -11.842 21.250 1.00 14.23 C ATOM 1738 C ASN A 109 1.318 -12.311 21.962 1.00 61.23 C ATOM 1739 O ASN A 109 1.284 -12.675 23.138 1.00 24.10 O ATOM 1740 CB ASN A 109 -0.607 -13.020 20.531 1.00 62.04 C ATOM 1741 CG ASN A 109 -1.893 -13.460 21.204 1.00 64.44 C ATOM 1742 OD1 ASN A 109 -2.914 -12.777 21.125 1.00 62.14 O ATOM 1743 ND2 ASN A 109 -1.849 -14.608 21.871 1.00 73.12 N ATOM 0 H ASN A 109 0.036 -10.955 19.349 1.00 41.34 H new ATOM 0 HA ASN A 109 -0.637 -11.447 21.996 1.00 14.23 H new ATOM 0 HB2 ASN A 109 -0.817 -12.741 19.499 1.00 62.04 H new ATOM 0 HB3 ASN A 109 0.089 -13.859 20.499 1.00 62.04 H new ATOM 0 HD21 ASN A 109 -2.683 -14.955 22.344 1.00 73.12 H new ATOM 0 HD22 ASN A 109 -0.981 -15.142 21.910 1.00 73.12 H new ATOM 1750 N LYS A 110 2.435 -12.299 21.242 1.00 24.33 N ATOM 1751 CA LYS A 110 3.713 -12.720 21.804 1.00 24.53 C ATOM 1752 C LYS A 110 4.156 -11.777 22.917 1.00 20.33 C ATOM 1753 O LYS A 110 4.815 -12.192 23.869 1.00 53.24 O ATOM 1754 CB LYS A 110 4.782 -12.774 20.709 1.00 43.31 C ATOM 1755 CG LYS A 110 5.786 -13.898 20.894 1.00 24.24 C ATOM 1756 CD LYS A 110 6.351 -14.365 19.563 1.00 10.05 C ATOM 1757 CE LYS A 110 6.277 -15.878 19.426 1.00 54.30 C ATOM 1758 NZ LYS A 110 6.908 -16.351 18.163 1.00 13.22 N ATOM 0 H LYS A 110 2.481 -12.002 20.267 1.00 24.33 H new ATOM 0 HA LYS A 110 3.585 -13.716 22.227 1.00 24.53 H new ATOM 0 HB2 LYS A 110 4.294 -12.890 19.742 1.00 43.31 H new ATOM 0 HB3 LYS A 110 5.314 -11.823 20.685 1.00 43.31 H new ATOM 0 HG2 LYS A 110 6.599 -13.559 21.537 1.00 24.24 H new ATOM 0 HG3 LYS A 110 5.307 -14.736 21.401 1.00 24.24 H new ATOM 0 HD2 LYS A 110 5.799 -13.897 18.748 1.00 10.05 H new ATOM 0 HD3 LYS A 110 7.388 -14.041 19.473 1.00 10.05 H new ATOM 0 HE2 LYS A 110 6.773 -16.345 20.277 1.00 54.30 H new ATOM 0 HE3 LYS A 110 5.234 -16.195 19.452 1.00 54.30 H new ATOM 0 HZ1 LYS A 110 6.837 -17.387 18.106 1.00 13.22 H new ATOM 0 HZ2 LYS A 110 6.419 -15.926 17.350 1.00 13.22 H new ATOM 0 HZ3 LYS A 110 7.910 -16.071 18.149 1.00 13.22 H new ATOM 1772 N SER A 111 3.788 -10.506 22.790 1.00 1.43 N ATOM 1773 CA SER A 111 4.150 -9.502 23.785 1.00 21.55 C ATOM 1774 C SER A 111 3.180 -9.531 24.963 1.00 33.15 C ATOM 1775 O SER A 111 3.541 -9.182 26.087 1.00 11.12 O ATOM 1776 CB SER A 111 4.162 -8.109 23.153 1.00 53.04 C ATOM 1777 OG SER A 111 5.470 -7.744 22.749 1.00 30.54 O ATOM 0 H SER A 111 3.240 -10.147 22.008 1.00 1.43 H new ATOM 0 HA SER A 111 5.149 -9.734 24.154 1.00 21.55 H new ATOM 0 HB2 SER A 111 3.494 -8.091 22.292 1.00 53.04 H new ATOM 0 HB3 SER A 111 3.781 -7.379 23.867 1.00 53.04 H new ATOM 0 HG SER A 111 5.451 -6.851 22.347 1.00 30.54 H new ATOM 1783 N LYS A 112 1.948 -9.949 24.696 1.00 72.55 N ATOM 1784 CA LYS A 112 0.925 -10.026 25.732 1.00 13.53 C ATOM 1785 C LYS A 112 1.394 -10.892 26.897 1.00 50.01 C ATOM 1786 O LYS A 112 1.002 -10.673 28.044 1.00 1.22 O ATOM 1787 CB LYS A 112 -0.375 -10.591 25.153 1.00 41.53 C ATOM 1788 CG LYS A 112 -1.626 -9.978 25.758 1.00 4.13 C ATOM 1789 CD LYS A 112 -2.588 -9.499 24.683 1.00 72.20 C ATOM 1790 CE LYS A 112 -3.964 -9.202 25.259 1.00 15.25 C ATOM 1791 NZ LYS A 112 -4.648 -10.438 25.728 1.00 12.14 N ATOM 0 H LYS A 112 1.633 -10.240 23.770 1.00 72.55 H new ATOM 0 HA LYS A 112 0.742 -9.017 26.103 1.00 13.53 H new ATOM 0 HB2 LYS A 112 -0.385 -10.427 24.075 1.00 41.53 H new ATOM 0 HB3 LYS A 112 -0.395 -11.669 25.312 1.00 41.53 H new ATOM 0 HG2 LYS A 112 -2.123 -10.713 26.391 1.00 4.13 H new ATOM 0 HG3 LYS A 112 -1.349 -9.141 26.399 1.00 4.13 H new ATOM 0 HD2 LYS A 112 -2.189 -8.602 24.210 1.00 72.20 H new ATOM 0 HD3 LYS A 112 -2.674 -10.258 23.906 1.00 72.20 H new ATOM 0 HE2 LYS A 112 -3.867 -8.503 26.090 1.00 15.25 H new ATOM 0 HE3 LYS A 112 -4.577 -8.713 24.502 1.00 15.25 H new ATOM 0 HZ1 LYS A 112 -5.669 -10.260 25.809 1.00 12.14 H new ATOM 0 HZ2 LYS A 112 -4.483 -11.206 25.046 1.00 12.14 H new ATOM 0 HZ3 LYS A 112 -4.270 -10.713 26.657 1.00 12.14 H new ATOM 1805 N LYS A 113 2.236 -11.875 26.596 1.00 64.13 N ATOM 1806 CA LYS A 113 2.760 -12.773 27.618 1.00 50.51 C ATOM 1807 C LYS A 113 4.141 -12.319 28.083 1.00 65.02 C ATOM 1808 O LYS A 113 4.973 -13.135 28.480 1.00 64.03 O ATOM 1809 CB LYS A 113 2.836 -14.203 27.079 1.00 74.31 C ATOM 1810 CG LYS A 113 2.265 -15.242 28.029 1.00 54.42 C ATOM 1811 CD LYS A 113 2.013 -16.563 27.322 1.00 64.44 C ATOM 1812 CE LYS A 113 0.751 -16.509 26.474 1.00 23.40 C ATOM 1813 NZ LYS A 113 0.100 -17.845 26.362 1.00 70.11 N ATOM 0 H LYS A 113 2.570 -12.070 25.652 1.00 64.13 H new ATOM 0 HA LYS A 113 2.082 -12.749 28.471 1.00 50.51 H new ATOM 0 HB2 LYS A 113 2.299 -14.254 26.132 1.00 74.31 H new ATOM 0 HB3 LYS A 113 3.877 -14.448 26.869 1.00 74.31 H new ATOM 0 HG2 LYS A 113 2.956 -15.398 28.858 1.00 54.42 H new ATOM 0 HG3 LYS A 113 1.333 -14.873 28.456 1.00 54.42 H new ATOM 0 HD2 LYS A 113 2.867 -16.808 26.690 1.00 64.44 H new ATOM 0 HD3 LYS A 113 1.923 -17.360 28.060 1.00 64.44 H new ATOM 0 HE2 LYS A 113 0.050 -15.799 26.912 1.00 23.40 H new ATOM 0 HE3 LYS A 113 0.998 -16.141 25.478 1.00 23.40 H new ATOM 0 HZ1 LYS A 113 -0.756 -17.766 25.777 1.00 70.11 H new ATOM 0 HZ2 LYS A 113 0.760 -18.517 25.921 1.00 70.11 H new ATOM 0 HZ3 LYS A 113 -0.159 -18.186 27.310 1.00 70.11 H new ATOM 1827 N LYS A 114 4.377 -11.013 28.034 1.00 60.25 N ATOM 1828 CA LYS A 114 5.655 -10.449 28.453 1.00 41.15 C ATOM 1829 C LYS A 114 5.606 -8.925 28.444 1.00 52.11 C ATOM 1830 O LYS A 114 6.597 -8.265 28.130 1.00 43.32 O ATOM 1831 CB LYS A 114 6.777 -10.940 27.536 1.00 73.02 C ATOM 1832 CG LYS A 114 8.110 -11.109 28.243 1.00 13.01 C ATOM 1833 CD LYS A 114 9.114 -11.846 27.372 1.00 71.34 C ATOM 1834 CE LYS A 114 10.030 -10.880 26.637 1.00 63.32 C ATOM 1835 NZ LYS A 114 9.805 -10.914 25.165 1.00 51.11 N ATOM 0 H LYS A 114 3.699 -10.324 27.708 1.00 60.25 H new ATOM 0 HA LYS A 114 5.855 -10.782 29.471 1.00 41.15 H new ATOM 0 HB2 LYS A 114 6.485 -11.894 27.097 1.00 73.02 H new ATOM 0 HB3 LYS A 114 6.898 -10.234 26.714 1.00 73.02 H new ATOM 0 HG2 LYS A 114 8.508 -10.130 28.510 1.00 13.01 H new ATOM 0 HG3 LYS A 114 7.962 -11.657 29.173 1.00 13.01 H new ATOM 0 HD2 LYS A 114 9.711 -12.516 27.991 1.00 71.34 H new ATOM 0 HD3 LYS A 114 8.584 -12.467 26.650 1.00 71.34 H new ATOM 0 HE2 LYS A 114 9.863 -9.868 27.007 1.00 63.32 H new ATOM 0 HE3 LYS A 114 11.069 -11.130 26.852 1.00 63.32 H new ATOM 0 HZ1 LYS A 114 10.448 -10.242 24.700 1.00 51.11 H new ATOM 0 HZ2 LYS A 114 9.989 -11.873 24.808 1.00 51.11 H new ATOM 0 HZ3 LYS A 114 8.820 -10.651 24.958 1.00 51.11 H new ATOM 1849 N ALA A 115 4.448 -8.372 28.792 1.00 33.44 N ATOM 1850 CA ALA A 115 4.273 -6.926 28.827 1.00 54.21 C ATOM 1851 C ALA A 115 3.190 -6.528 29.824 1.00 13.53 C ATOM 1852 O ALA A 115 3.363 -5.587 30.599 1.00 75.12 O ATOM 1853 CB ALA A 115 3.934 -6.401 27.439 1.00 2.42 C ATOM 0 H ALA A 115 3.618 -8.904 29.053 1.00 33.44 H new ATOM 0 HA ALA A 115 5.212 -6.479 29.153 1.00 54.21 H new ATOM 0 HB1 ALA A 115 3.806 -5.319 27.480 1.00 2.42 H new ATOM 0 HB2 ALA A 115 4.743 -6.645 26.750 1.00 2.42 H new ATOM 0 HB3 ALA A 115 3.010 -6.863 27.091 1.00 2.42 H new ATOM 1859 N GLN A 116 2.075 -7.249 29.798 1.00 62.13 N ATOM 1860 CA GLN A 116 0.964 -6.969 30.700 1.00 21.52 C ATOM 1861 C GLN A 116 1.418 -7.020 32.155 1.00 43.43 C ATOM 1862 O GLN A 116 0.924 -6.267 32.995 1.00 21.23 O ATOM 1863 CB GLN A 116 -0.170 -7.971 30.472 1.00 22.10 C ATOM 1864 CG GLN A 116 -0.773 -7.902 29.078 1.00 54.32 C ATOM 1865 CD GLN A 116 -2.175 -7.326 29.078 1.00 30.44 C ATOM 1866 OE1 GLN A 116 -2.374 -6.145 29.363 1.00 63.12 O ATOM 1867 NE2 GLN A 116 -3.157 -8.160 28.754 1.00 72.31 N ATOM 0 H GLN A 116 1.916 -8.031 29.163 1.00 62.13 H new ATOM 0 HA GLN A 116 0.600 -5.964 30.487 1.00 21.52 H new ATOM 0 HB2 GLN A 116 0.207 -8.979 30.646 1.00 22.10 H new ATOM 0 HB3 GLN A 116 -0.955 -7.792 31.207 1.00 22.10 H new ATOM 0 HG2 GLN A 116 -0.134 -7.293 28.439 1.00 54.32 H new ATOM 0 HG3 GLN A 116 -0.795 -8.902 28.646 1.00 54.32 H new ATOM 0 HE21 GLN A 116 -2.946 -9.131 28.525 1.00 72.31 H new ATOM 0 HE22 GLN A 116 -4.122 -7.829 28.734 1.00 72.31 H new ATOM 1876 N GLN A 117 2.360 -7.911 32.445 1.00 61.44 N ATOM 1877 CA GLN A 117 2.879 -8.059 33.800 1.00 74.01 C ATOM 1878 C GLN A 117 3.383 -6.724 34.339 1.00 2.00 C ATOM 1879 O GLN A 117 3.005 -6.303 35.432 1.00 15.15 O ATOM 1880 CB GLN A 117 4.008 -9.092 33.826 1.00 24.31 C ATOM 1881 CG GLN A 117 4.345 -9.589 35.223 1.00 52.21 C ATOM 1882 CD GLN A 117 5.753 -10.141 35.321 1.00 21.42 C ATOM 1883 OE1 GLN A 117 6.618 -9.556 35.974 1.00 3.02 O ATOM 1884 NE2 GLN A 117 5.991 -11.275 34.671 1.00 50.13 N ATOM 0 H GLN A 117 2.779 -8.541 31.761 1.00 61.44 H new ATOM 0 HA GLN A 117 2.065 -8.404 34.438 1.00 74.01 H new ATOM 0 HB2 GLN A 117 3.726 -9.942 33.205 1.00 24.31 H new ATOM 0 HB3 GLN A 117 4.901 -8.654 33.380 1.00 24.31 H new ATOM 0 HG2 GLN A 117 4.229 -8.771 35.934 1.00 52.21 H new ATOM 0 HG3 GLN A 117 3.634 -10.364 35.510 1.00 52.21 H new ATOM 0 HE21 GLN A 117 5.245 -11.726 34.142 1.00 50.13 H new ATOM 0 HE22 GLN A 117 6.920 -11.695 34.701 1.00 50.13 H new ATOM 1893 N ALA A 118 4.239 -6.064 33.565 1.00 1.00 N ATOM 1894 CA ALA A 118 4.793 -4.777 33.964 1.00 51.11 C ATOM 1895 C ALA A 118 3.769 -3.661 33.790 1.00 0.23 C ATOM 1896 O ALA A 118 3.675 -2.756 34.620 1.00 15.01 O ATOM 1897 CB ALA A 118 6.050 -4.472 33.162 1.00 71.02 C ATOM 0 H ALA A 118 4.563 -6.400 32.658 1.00 1.00 H new ATOM 0 HA ALA A 118 5.054 -4.834 35.021 1.00 51.11 H new ATOM 0 HB1 ALA A 118 6.453 -3.507 33.470 1.00 71.02 H new ATOM 0 HB2 ALA A 118 6.793 -5.250 33.340 1.00 71.02 H new ATOM 0 HB3 ALA A 118 5.805 -4.440 32.100 1.00 71.02 H new ATOM 1903 N ALA A 119 3.003 -3.730 32.706 1.00 34.40 N ATOM 1904 CA ALA A 119 1.985 -2.726 32.424 1.00 42.24 C ATOM 1905 C ALA A 119 1.027 -2.570 33.600 1.00 62.34 C ATOM 1906 O ALA A 119 0.441 -1.507 33.799 1.00 51.14 O ATOM 1907 CB ALA A 119 1.219 -3.091 31.161 1.00 63.12 C ATOM 0 H ALA A 119 3.068 -4.471 32.009 1.00 34.40 H new ATOM 0 HA ALA A 119 2.486 -1.770 32.268 1.00 42.24 H new ATOM 0 HB1 ALA A 119 0.462 -2.332 30.963 1.00 63.12 H new ATOM 0 HB2 ALA A 119 1.909 -3.144 30.319 1.00 63.12 H new ATOM 0 HB3 ALA A 119 0.736 -4.059 31.295 1.00 63.12 H new ATOM 1913 N ALA A 120 0.871 -3.638 34.376 1.00 12.11 N ATOM 1914 CA ALA A 120 -0.014 -3.620 35.533 1.00 51.50 C ATOM 1915 C ALA A 120 0.738 -3.207 36.795 1.00 4.44 C ATOM 1916 O ALA A 120 1.966 -3.133 36.799 1.00 54.22 O ATOM 1917 CB ALA A 120 -0.662 -4.983 35.725 1.00 20.31 C ATOM 0 H ALA A 120 1.347 -4.527 34.223 1.00 12.11 H new ATOM 0 HA ALA A 120 -0.795 -2.882 35.349 1.00 51.50 H new ATOM 0 HB1 ALA A 120 -1.320 -4.954 36.593 1.00 20.31 H new ATOM 0 HB2 ALA A 120 -1.242 -5.238 34.838 1.00 20.31 H new ATOM 0 HB3 ALA A 120 0.112 -5.735 35.881 1.00 20.31 H new ATOM 1923 N ASP A 121 -0.007 -2.939 37.861 1.00 42.44 N ATOM 1924 CA ASP A 121 0.590 -2.534 39.129 1.00 23.32 C ATOM 1925 C ASP A 121 1.196 -1.138 39.023 1.00 34.54 C ATOM 1926 O ASP A 121 0.630 -0.164 39.516 1.00 13.40 O ATOM 1927 CB ASP A 121 1.661 -3.538 39.556 1.00 21.51 C ATOM 1928 CG ASP A 121 1.288 -4.277 40.826 1.00 51.11 C ATOM 1929 OD1 ASP A 121 0.505 -5.246 40.741 1.00 73.22 O ATOM 1930 OD2 ASP A 121 1.779 -3.886 41.906 1.00 50.21 O ATOM 0 H ASP A 121 -1.025 -2.995 37.873 1.00 42.44 H new ATOM 0 HA ASP A 121 -0.197 -2.512 39.883 1.00 23.32 H new ATOM 0 HB2 ASP A 121 1.820 -4.258 38.753 1.00 21.51 H new ATOM 0 HB3 ASP A 121 2.605 -3.015 39.707 1.00 21.51 H new ATOM 1935 N THR A 122 2.355 -1.050 38.375 1.00 72.02 N ATOM 1936 CA THR A 122 3.041 0.224 38.206 1.00 5.34 C ATOM 1937 C THR A 122 3.193 0.949 39.539 1.00 64.54 C ATOM 1938 O THR A 122 2.918 0.384 40.597 1.00 43.22 O ATOM 1939 CB THR A 122 2.288 1.140 37.221 1.00 33.01 C ATOM 1940 OG1 THR A 122 1.163 1.739 37.871 1.00 42.25 O ATOM 1941 CG2 THR A 122 1.821 0.357 36.004 1.00 45.21 C ATOM 0 H THR A 122 2.837 -1.847 37.959 1.00 72.02 H new ATOM 0 HA THR A 122 4.029 -0.000 37.803 1.00 5.34 H new ATOM 0 HB THR A 122 2.972 1.921 36.890 1.00 33.01 H new ATOM 0 HG1 THR A 122 0.837 1.142 38.577 1.00 42.25 H new ATOM 0 HG21 THR A 122 1.292 1.024 35.323 1.00 45.21 H new ATOM 0 HG22 THR A 122 2.684 -0.072 35.494 1.00 45.21 H new ATOM 0 HG23 THR A 122 1.152 -0.443 36.321 1.00 45.21 H new ATOM 1949 N GLY A 123 3.633 2.201 39.480 1.00 60.01 N ATOM 1950 CA GLY A 123 3.813 2.981 40.691 1.00 10.22 C ATOM 1951 C GLY A 123 4.244 4.407 40.403 1.00 24.45 C ATOM 1952 O GLY A 123 4.978 5.009 41.185 1.00 23.05 O ATOM 0 H GLY A 123 3.868 2.690 38.616 1.00 60.01 H new ATOM 0 HA2 GLY A 123 2.880 2.993 41.254 1.00 10.22 H new ATOM 0 HA3 GLY A 123 4.560 2.499 41.322 1.00 10.22 H new ATOM 1956 N ASN A 124 3.787 4.945 39.277 1.00 35.34 N ATOM 1957 CA ASN A 124 4.132 6.307 38.887 1.00 70.10 C ATOM 1958 C ASN A 124 3.154 6.839 37.844 1.00 64.41 C ATOM 1959 O ASN A 124 2.477 6.069 37.164 1.00 61.11 O ATOM 1960 CB ASN A 124 5.559 6.357 38.335 1.00 21.10 C ATOM 1961 CG ASN A 124 6.219 7.703 38.560 1.00 4.14 C ATOM 1962 OD1 ASN A 124 5.676 8.566 39.249 1.00 43.01 O ATOM 1963 ND2 ASN A 124 7.397 7.889 37.975 1.00 63.41 N ATOM 0 H ASN A 124 3.177 4.459 38.619 1.00 35.34 H new ATOM 0 HA ASN A 124 4.070 6.938 39.774 1.00 70.10 H new ATOM 0 HB2 ASN A 124 6.157 5.579 38.809 1.00 21.10 H new ATOM 0 HB3 ASN A 124 5.540 6.138 37.267 1.00 21.10 H new ATOM 0 HD21 ASN A 124 7.888 8.776 38.089 1.00 63.41 H new ATOM 0 HD22 ASN A 124 7.810 7.145 37.412 1.00 63.41 H new ATOM 1970 N ASN A 125 3.084 8.161 37.726 1.00 0.01 N ATOM 1971 CA ASN A 125 2.188 8.796 36.766 1.00 42.15 C ATOM 1972 C ASN A 125 2.687 8.594 35.339 1.00 30.14 C ATOM 1973 O ASN A 125 3.416 9.427 34.802 1.00 31.45 O ATOM 1974 CB ASN A 125 2.062 10.291 37.067 1.00 5.20 C ATOM 1975 CG ASN A 125 0.845 10.913 36.409 1.00 62.44 C ATOM 1976 OD1 ASN A 125 -0.236 10.324 36.396 1.00 2.00 O ATOM 1977 ND2 ASN A 125 1.016 12.108 35.859 1.00 13.23 N ATOM 0 H ASN A 125 3.637 8.813 38.283 1.00 0.01 H new ATOM 0 HA ASN A 125 1.207 8.329 36.858 1.00 42.15 H new ATOM 0 HB2 ASN A 125 2.003 10.438 38.145 1.00 5.20 H new ATOM 0 HB3 ASN A 125 2.960 10.805 36.724 1.00 5.20 H new ATOM 0 HD21 ASN A 125 0.233 12.576 35.402 1.00 13.23 H new ATOM 0 HD22 ASN A 125 1.930 12.559 35.894 1.00 13.23 H new ATOM 1984 N SER A 126 2.287 7.482 34.730 1.00 72.42 N ATOM 1985 CA SER A 126 2.696 7.167 33.367 1.00 33.45 C ATOM 1986 C SER A 126 1.506 7.233 32.414 1.00 12.21 C ATOM 1987 O SER A 126 1.496 8.026 31.472 1.00 70.54 O ATOM 1988 CB SER A 126 3.333 5.777 33.310 1.00 11.24 C ATOM 1989 OG SER A 126 4.593 5.819 32.662 1.00 60.04 O ATOM 0 H SER A 126 1.680 6.784 35.160 1.00 72.42 H new ATOM 0 HA SER A 126 3.432 7.908 33.055 1.00 33.45 H new ATOM 0 HB2 SER A 126 3.453 5.387 34.321 1.00 11.24 H new ATOM 0 HB3 SER A 126 2.671 5.092 32.781 1.00 11.24 H new ATOM 0 HG SER A 126 4.980 4.919 32.640 1.00 60.04 H new ATOM 1995 N GLN A 127 0.507 6.395 32.667 1.00 24.15 N ATOM 1996 CA GLN A 127 -0.688 6.357 31.832 1.00 1.42 C ATOM 1997 C GLN A 127 -1.539 7.605 32.043 1.00 64.42 C ATOM 1998 O GLN A 127 -1.435 8.273 33.072 1.00 73.31 O ATOM 1999 CB GLN A 127 -1.510 5.105 32.138 1.00 44.00 C ATOM 2000 CG GLN A 127 -2.206 5.149 33.490 1.00 13.13 C ATOM 2001 CD GLN A 127 -3.717 5.119 33.370 1.00 0.24 C ATOM 2002 OE1 GLN A 127 -4.316 4.060 33.180 1.00 55.00 O ATOM 2003 NE2 GLN A 127 -4.343 6.285 33.481 1.00 54.40 N ATOM 0 H GLN A 127 0.501 5.733 33.443 1.00 24.15 H new ATOM 0 HA GLN A 127 -0.372 6.328 30.789 1.00 1.42 H new ATOM 0 HB2 GLN A 127 -2.259 4.972 31.357 1.00 44.00 H new ATOM 0 HB3 GLN A 127 -0.856 4.234 32.104 1.00 44.00 H new ATOM 0 HG2 GLN A 127 -1.876 4.302 34.092 1.00 13.13 H new ATOM 0 HG3 GLN A 127 -1.905 6.053 34.020 1.00 13.13 H new ATOM 0 HE21 GLN A 127 -3.807 7.139 33.638 1.00 54.40 H new ATOM 0 HE22 GLN A 127 -5.360 6.327 33.409 1.00 54.40 H new ATOM 2012 N VAL A 128 -2.383 7.912 31.063 1.00 2.32 N ATOM 2013 CA VAL A 128 -3.254 9.079 31.142 1.00 30.33 C ATOM 2014 C VAL A 128 -4.554 8.848 30.380 1.00 74.11 C ATOM 2015 O VAL A 128 -4.545 8.348 29.255 1.00 55.01 O ATOM 2016 CB VAL A 128 -2.561 10.335 30.583 1.00 14.30 C ATOM 2017 CG1 VAL A 128 -2.291 10.180 29.094 1.00 22.24 C ATOM 2018 CG2 VAL A 128 -3.402 11.574 30.853 1.00 70.54 C ATOM 0 H VAL A 128 -2.482 7.369 30.205 1.00 2.32 H new ATOM 0 HA VAL A 128 -3.478 9.235 32.197 1.00 30.33 H new ATOM 0 HB VAL A 128 -1.604 10.455 31.091 1.00 14.30 H new ATOM 0 HG11 VAL A 128 -1.801 11.078 28.718 1.00 22.24 H new ATOM 0 HG12 VAL A 128 -1.645 9.318 28.929 1.00 22.24 H new ATOM 0 HG13 VAL A 128 -3.234 10.033 28.567 1.00 22.24 H new ATOM 0 HG21 VAL A 128 -2.896 12.452 30.451 1.00 70.54 H new ATOM 0 HG22 VAL A 128 -4.375 11.465 30.374 1.00 70.54 H new ATOM 0 HG23 VAL A 128 -3.538 11.694 31.928 1.00 70.54 H new ATOM 2028 N SER A 129 -5.670 9.214 31.000 1.00 71.25 N ATOM 2029 CA SER A 129 -6.979 9.044 30.382 1.00 22.43 C ATOM 2030 C SER A 129 -7.980 10.052 30.940 1.00 14.25 C ATOM 2031 O SER A 129 -8.217 10.105 32.146 1.00 33.34 O ATOM 2032 CB SER A 129 -7.493 7.620 30.610 1.00 30.00 C ATOM 2033 OG SER A 129 -6.419 6.711 30.773 1.00 61.45 O ATOM 0 H SER A 129 -5.694 9.631 31.931 1.00 71.25 H new ATOM 0 HA SER A 129 -6.872 9.219 29.311 1.00 22.43 H new ATOM 0 HB2 SER A 129 -8.130 7.597 31.494 1.00 30.00 H new ATOM 0 HB3 SER A 129 -8.109 7.313 29.765 1.00 30.00 H new ATOM 0 HG SER A 129 -6.773 5.809 30.919 1.00 61.45 H new ATOM 2039 N GLN A 130 -8.562 10.851 30.051 1.00 14.03 N ATOM 2040 CA GLN A 130 -9.535 11.859 30.453 1.00 2.04 C ATOM 2041 C GLN A 130 -10.779 11.797 29.573 1.00 54.31 C ATOM 2042 O GLN A 130 -11.846 11.375 30.018 1.00 35.34 O ATOM 2043 CB GLN A 130 -8.915 13.255 30.382 1.00 34.15 C ATOM 2044 CG GLN A 130 -8.332 13.731 31.703 1.00 33.12 C ATOM 2045 CD GLN A 130 -8.447 15.232 31.884 1.00 75.13 C ATOM 2046 OE1 GLN A 130 -9.529 15.803 31.756 1.00 64.01 O ATOM 2047 NE2 GLN A 130 -7.326 15.879 32.185 1.00 64.23 N ATOM 0 H GLN A 130 -8.376 10.820 29.049 1.00 14.03 H new ATOM 0 HA GLN A 130 -9.829 11.652 31.482 1.00 2.04 H new ATOM 0 HB2 GLN A 130 -8.129 13.256 29.626 1.00 34.15 H new ATOM 0 HB3 GLN A 130 -9.675 13.964 30.053 1.00 34.15 H new ATOM 0 HG2 GLN A 130 -8.845 13.229 32.524 1.00 33.12 H new ATOM 0 HG3 GLN A 130 -7.283 13.441 31.758 1.00 33.12 H new ATOM 0 HE21 GLN A 130 -6.450 15.365 32.281 1.00 64.23 H new ATOM 0 HE22 GLN A 130 -7.341 16.890 32.320 1.00 64.23 H new ATOM 2056 N ASN A 131 -10.634 12.221 28.321 1.00 52.11 N ATOM 2057 CA ASN A 131 -11.746 12.214 27.379 1.00 21.04 C ATOM 2058 C ASN A 131 -11.242 12.095 25.943 1.00 42.33 C ATOM 2059 O ASN A 131 -10.267 12.743 25.561 1.00 64.44 O ATOM 2060 CB ASN A 131 -12.581 13.486 27.534 1.00 5.32 C ATOM 2061 CG ASN A 131 -14.068 13.225 27.380 1.00 74.32 C ATOM 2062 OD1 ASN A 131 -14.477 12.162 26.912 1.00 40.22 O ATOM 2063 ND2 ASN A 131 -14.883 14.196 27.775 1.00 71.33 N ATOM 0 H ASN A 131 -9.757 12.573 27.936 1.00 52.11 H new ATOM 0 HA ASN A 131 -12.371 11.348 27.599 1.00 21.04 H new ATOM 0 HB2 ASN A 131 -12.392 13.924 28.514 1.00 5.32 H new ATOM 0 HB3 ASN A 131 -12.265 14.218 26.791 1.00 5.32 H new ATOM 0 HD21 ASN A 131 -15.893 14.078 27.697 1.00 71.33 H new ATOM 0 HD22 ASN A 131 -14.499 15.060 28.157 1.00 71.33 H new ATOM 2070 N TYR A 132 -11.914 11.265 25.153 1.00 72.12 N ATOM 2071 CA TYR A 132 -11.533 11.059 23.760 1.00 41.24 C ATOM 2072 C TYR A 132 -12.760 11.074 22.853 1.00 13.42 C ATOM 2073 O TYR A 132 -13.277 12.136 22.510 1.00 23.21 O ATOM 2074 CB TYR A 132 -10.785 9.735 23.604 1.00 62.34 C ATOM 2075 CG TYR A 132 -9.536 9.642 24.450 1.00 60.42 C ATOM 2076 CD1 TYR A 132 -8.428 10.434 24.179 1.00 34.54 C ATOM 2077 CD2 TYR A 132 -9.465 8.760 25.523 1.00 13.32 C ATOM 2078 CE1 TYR A 132 -7.284 10.351 24.948 1.00 51.24 C ATOM 2079 CE2 TYR A 132 -8.325 8.673 26.300 1.00 22.43 C ATOM 2080 CZ TYR A 132 -7.237 9.469 26.009 1.00 21.34 C ATOM 2081 OH TYR A 132 -6.100 9.385 26.779 1.00 43.12 O ATOM 0 H TYR A 132 -12.725 10.724 25.453 1.00 72.12 H new ATOM 0 HA TYR A 132 -10.875 11.876 23.465 1.00 41.24 H new ATOM 0 HB2 TYR A 132 -11.454 8.916 23.868 1.00 62.34 H new ATOM 0 HB3 TYR A 132 -10.515 9.601 22.556 1.00 62.34 H new ATOM 0 HD1 TYR A 132 -8.462 11.127 23.352 1.00 34.54 H new ATOM 0 HD2 TYR A 132 -10.314 8.133 25.753 1.00 13.32 H new ATOM 0 HE1 TYR A 132 -6.431 10.973 24.721 1.00 51.24 H new ATOM 0 HE2 TYR A 132 -8.287 7.985 27.131 1.00 22.43 H new ATOM 0 HH TYR A 132 -5.647 10.254 26.789 1.00 43.12 H new TER 2091 TYR A 132 HETATM 2092 C1 MYR A 1 6.331 15.062 1.172 1.00 11.24 C HETATM 2093 O1 MYR A 1 5.522 15.956 1.421 1.00 32.21 O HETATM 2094 C2 MYR A 1 6.049 13.657 1.705 1.00 43.42 C HETATM 2095 C3 MYR A 1 4.733 13.027 1.193 1.00 3.42 C HETATM 2096 C4 MYR A 1 4.976 11.699 0.453 1.00 22.21 C HETATM 2097 C5 MYR A 1 3.658 10.995 0.075 1.00 14.31 C HETATM 2098 C6 MYR A 1 3.860 9.494 -0.205 1.00 34.22 C HETATM 2099 C7 MYR A 1 2.621 8.852 -0.858 1.00 32.41 C HETATM 2100 C8 MYR A 1 2.492 7.356 -0.516 1.00 22.41 C HETATM 2101 C9 MYR A 1 2.786 6.453 -1.729 1.00 1.40 C HETATM 2102 C10 MYR A 1 3.192 5.025 -1.310 1.00 34.43 C HETATM 2103 C11 MYR A 1 2.120 4.273 -0.495 1.00 62.43 C HETATM 2104 C12 MYR A 1 2.137 2.742 -0.682 1.00 74.31 C HETATM 2105 C13 MYR A 1 0.781 2.098 -0.340 1.00 33.10 C HETATM 2106 C14 MYR A 1 0.858 0.565 -0.354 1.00 14.12 C HETATM 0 H143 MYR A 1 1.158 0.225 -1.345 1.00 14.12 H new HETATM 0 H142 MYR A 1 1.590 0.231 0.381 1.00 14.12 H new HETATM 0 H141 MYR A 1 -0.119 0.149 -0.108 1.00 14.12 H new HETATM 0 H132 MYR A 1 0.456 2.437 0.644 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.030 2.431 -1.056 1.00 33.10 H new HETATM 0 H122 MYR A 1 2.399 2.507 -1.714 1.00 74.31 H new HETATM 0 H121 MYR A 1 2.912 2.309 -0.050 1.00 74.31 H new HETATM 0 H112 MYR A 1 2.259 4.500 0.562 1.00 62.43 H new HETATM 0 H111 MYR A 1 1.137 4.650 -0.775 1.00 62.43 H new HETATM 0 H102 MYR A 1 3.422 4.448 -2.206 1.00 34.43 H new HETATM 0 H101 MYR A 1 4.108 5.078 -0.721 1.00 34.43 H new HETATM 0 H92 MYR A 1 1.903 6.405 -2.366 1.00 1.40 H new HETATM 0 H91 MYR A 1 3.585 6.896 -2.324 1.00 1.40 H new HETATM 0 H82 MYR A 1 3.180 7.110 0.293 1.00 22.41 H new HETATM 0 H81 MYR A 1 1.485 7.154 -0.151 1.00 22.41 H new HETATM 0 H72 MYR A 1 1.725 9.377 -0.527 1.00 32.41 H new HETATM 0 H71 MYR A 1 2.679 8.972 -1.940 1.00 32.41 H new HETATM 0 H62 MYR A 1 4.723 9.361 -0.858 1.00 34.22 H new HETATM 0 H61 MYR A 1 4.084 8.979 0.729 1.00 34.22 H new HETATM 0 H52 MYR A 1 2.937 11.118 0.883 1.00 14.31 H new HETATM 0 H51 MYR A 1 3.232 11.473 -0.807 1.00 14.31 H new HETATM 0 H42 MYR A 1 5.557 11.889 -0.450 1.00 22.21 H new HETATM 0 H41 MYR A 1 5.572 11.038 1.082 1.00 22.21 H new HETATM 0 H32 MYR A 1 4.062 12.855 2.035 1.00 3.42 H new HETATM 0 H31 MYR A 1 4.232 13.728 0.525 1.00 3.42 H new HETATM 0 H22 MYR A 1 6.879 13.005 1.432 1.00 43.42 H new HETATM 0 H21 MYR A 1 6.019 13.695 2.794 1.00 43.42 H new