USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ 153:sc= -1.48 (180deg=-3!) USER MOD Set 1.2: A 55 THR OG1 : rot 65:sc= 1.14 USER MOD Set 2.1: A 23 HIS : no HD1:sc= -0.35 X(o=-0.0039,f=0.42) USER MOD Set 2.2: A 54 CYS SG : rot 67:sc= 0.346 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.158 (180deg=-0.607) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.915 K(o=-0.92,f=-2.5!) USER MOD Single : A 4 HIS : no HD1:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0786 X(o=-0.079,f=-0.079) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot -23:sc= 0.219 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 12 ASN : amide:sc= -0.396 K(o=-0.4,f=-4!) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 1.07 (180deg=0.902) USER MOD Single : A 24 SER OG : rot -28:sc= 1.09 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 140:sc= -0.296 (180deg=-0.721) USER MOD Single : A 28 ASN : amide:sc= 0.61 K(o=0.61,f=-0.3) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 34 ASN : amide:sc= -2.8! C(o=-2.8!,f=-3.3!) USER MOD Single : A 37 LYS NZ :NH3+ 141:sc= -0.215 (180deg=-1.18!) USER MOD Single : A 42 MET CE :methyl -106:sc= -1.22 (180deg=-3.6!) USER MOD Single : A 46 SER OG : rot 180:sc= -0.103 USER MOD Single : A 59 MET CE :methyl 157:sc= -1.4 (180deg=-2.92!) USER MOD Single : A 60 TYR OH : rot 64:sc= 0.475 USER MOD Single : A 68 HIS : no HD1:sc= -0.307 X(o=-0.31,f=-0.032) USER MOD Single : A 70 THR OG1 : rot -33:sc= 0.844 USER MOD Single : A 71 GLN : amide:sc= -2.03 K(o=-2,f=-1.4) USER MOD Single : A 76 MET CE :methyl -162:sc= -0.183 (180deg=-0.681) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -162:sc= -0.0948 (180deg=-0.51) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -179:sc= 0.527 (180deg=0.527) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.154 -31.676 -23.494 1.00 1.32 N ATOM 2 CA MET A 1 1.627 -31.452 -23.431 1.00 10.13 C ATOM 3 C MET A 1 2.040 -30.797 -22.101 1.00 40.54 C ATOM 4 O MET A 1 2.906 -31.309 -21.391 1.00 35.54 O ATOM 5 CB MET A 1 2.087 -30.583 -24.613 1.00 71.33 C ATOM 6 CG MET A 1 3.594 -30.349 -24.663 1.00 24.20 C ATOM 7 SD MET A 1 4.111 -29.396 -26.106 1.00 2.42 S ATOM 8 CE MET A 1 3.182 -27.884 -25.868 1.00 53.32 C ATOM 0 H1 MET A 1 -0.091 -32.119 -24.403 1.00 1.32 H new ATOM 0 H2 MET A 1 -0.136 -32.301 -22.715 1.00 1.32 H new ATOM 0 H3 MET A 1 -0.340 -30.765 -23.408 1.00 1.32 H new ATOM 0 HA MET A 1 2.114 -32.425 -23.493 1.00 10.13 H new ATOM 0 HB2 MET A 1 1.772 -31.057 -25.543 1.00 71.33 H new ATOM 0 HB3 MET A 1 1.582 -29.619 -24.560 1.00 71.33 H new ATOM 0 HG2 MET A 1 3.905 -29.826 -23.759 1.00 24.20 H new ATOM 0 HG3 MET A 1 4.106 -31.311 -24.667 1.00 24.20 H new ATOM 0 HE1 MET A 1 3.618 -27.090 -26.474 1.00 53.32 H new ATOM 0 HE2 MET A 1 2.146 -28.042 -26.168 1.00 53.32 H new ATOM 0 HE3 MET A 1 3.215 -27.598 -24.817 1.00 53.32 H new ATOM 20 N GLY A 2 1.419 -29.665 -21.764 1.00 44.02 N ATOM 21 CA GLY A 2 1.758 -28.964 -20.526 1.00 10.13 C ATOM 22 C GLY A 2 0.731 -27.904 -20.128 1.00 30.41 C ATOM 23 O GLY A 2 0.679 -26.828 -20.724 1.00 34.33 O ATOM 0 H GLY A 2 0.690 -29.220 -22.322 1.00 44.02 H new ATOM 0 HA2 GLY A 2 1.850 -29.691 -19.719 1.00 10.13 H new ATOM 0 HA3 GLY A 2 2.733 -28.490 -20.641 1.00 10.13 H new ATOM 27 N HIS A 3 -0.081 -28.202 -19.113 1.00 21.32 N ATOM 28 CA HIS A 3 -1.088 -27.251 -18.622 1.00 3.11 C ATOM 29 C HIS A 3 -0.461 -26.216 -17.670 1.00 30.01 C ATOM 30 O HIS A 3 0.101 -26.570 -16.635 1.00 41.42 O ATOM 31 CB HIS A 3 -2.242 -27.996 -17.928 1.00 54.23 C ATOM 32 CG HIS A 3 -1.815 -28.898 -16.805 1.00 52.02 C ATOM 33 ND1 HIS A 3 -1.438 -28.429 -15.568 1.00 2.52 N ATOM 34 CD2 HIS A 3 -1.715 -30.249 -16.734 1.00 43.54 C ATOM 35 CE1 HIS A 3 -1.129 -29.441 -14.786 1.00 20.54 C ATOM 36 NE2 HIS A 3 -1.285 -30.558 -15.465 1.00 63.15 N ATOM 0 H HIS A 3 -0.064 -29.091 -18.614 1.00 21.32 H new ATOM 0 HA HIS A 3 -1.489 -26.714 -19.482 1.00 3.11 H new ATOM 0 HB2 HIS A 3 -2.949 -27.263 -17.540 1.00 54.23 H new ATOM 0 HB3 HIS A 3 -2.774 -28.589 -18.672 1.00 54.23 H new ATOM 0 HD1 HIS A 3 -1.403 -27.446 -15.298 1.00 2.52 H new ATOM 0 HD2 HIS A 3 -1.932 -30.950 -17.526 1.00 43.54 H new ATOM 0 HE1 HIS A 3 -0.802 -29.368 -13.759 1.00 20.54 H new ATOM 45 N HIS A 4 -0.563 -24.937 -18.027 1.00 61.35 N ATOM 46 CA HIS A 4 0.034 -23.853 -17.232 1.00 10.01 C ATOM 47 C HIS A 4 -1.039 -22.919 -16.639 1.00 43.13 C ATOM 48 O HIS A 4 -1.811 -22.297 -17.371 1.00 11.12 O ATOM 49 CB HIS A 4 1.003 -23.043 -18.101 1.00 62.23 C ATOM 50 CG HIS A 4 2.154 -23.849 -18.617 1.00 50.13 C ATOM 51 ND1 HIS A 4 3.326 -24.020 -17.915 1.00 23.55 N ATOM 52 CD2 HIS A 4 2.310 -24.542 -19.770 1.00 32.43 C ATOM 53 CE1 HIS A 4 4.149 -24.779 -18.608 1.00 11.41 C ATOM 54 NE2 HIS A 4 3.560 -25.112 -19.737 1.00 62.30 N ATOM 0 H HIS A 4 -1.054 -24.620 -18.863 1.00 61.35 H new ATOM 0 HA HIS A 4 0.574 -24.309 -16.402 1.00 10.01 H new ATOM 0 HB2 HIS A 4 0.457 -22.621 -18.945 1.00 62.23 H new ATOM 0 HB3 HIS A 4 1.387 -22.205 -17.519 1.00 62.23 H new ATOM 0 HD2 HIS A 4 1.587 -24.630 -20.567 1.00 32.43 H new ATOM 0 HE1 HIS A 4 5.141 -25.078 -18.302 1.00 11.41 H new ATOM 0 HE2 HIS A 4 3.965 -25.697 -20.468 1.00 62.30 H new ATOM 63 N HIS A 5 -1.079 -22.823 -15.311 1.00 14.10 N ATOM 64 CA HIS A 5 -2.044 -21.953 -14.617 1.00 74.14 C ATOM 65 C HIS A 5 -1.415 -21.293 -13.377 1.00 33.13 C ATOM 66 O HIS A 5 -0.388 -21.749 -12.870 1.00 2.20 O ATOM 67 CB HIS A 5 -3.284 -22.754 -14.189 1.00 61.11 C ATOM 68 CG HIS A 5 -4.020 -23.393 -15.325 1.00 54.21 C ATOM 69 ND1 HIS A 5 -4.083 -24.756 -15.508 1.00 74.42 N ATOM 70 CD2 HIS A 5 -4.736 -22.849 -16.338 1.00 51.35 C ATOM 71 CE1 HIS A 5 -4.798 -25.023 -16.581 1.00 63.41 C ATOM 72 NE2 HIS A 5 -5.208 -23.885 -17.106 1.00 44.14 N ATOM 0 H HIS A 5 -0.455 -23.336 -14.688 1.00 14.10 H new ATOM 0 HA HIS A 5 -2.338 -21.172 -15.318 1.00 74.14 H new ATOM 0 HB2 HIS A 5 -2.978 -23.529 -13.486 1.00 61.11 H new ATOM 0 HB3 HIS A 5 -3.965 -22.091 -13.656 1.00 61.11 H new ATOM 0 HD2 HIS A 5 -4.904 -21.796 -16.510 1.00 51.35 H new ATOM 0 HE1 HIS A 5 -5.013 -26.009 -16.966 1.00 63.41 H new ATOM 0 HE2 HIS A 5 -5.781 -23.790 -17.944 1.00 44.14 H new ATOM 81 N HIS A 6 -2.053 -20.226 -12.887 1.00 54.31 N ATOM 82 CA HIS A 6 -1.583 -19.515 -11.691 1.00 33.12 C ATOM 83 C HIS A 6 -1.965 -20.263 -10.403 1.00 50.34 C ATOM 84 O HIS A 6 -3.139 -20.316 -10.023 1.00 14.42 O ATOM 85 CB HIS A 6 -2.154 -18.090 -11.653 1.00 51.41 C ATOM 86 CG HIS A 6 -1.664 -17.216 -12.767 1.00 2.53 C ATOM 87 ND1 HIS A 6 -2.452 -16.842 -13.835 1.00 61.31 N ATOM 88 CD2 HIS A 6 -0.460 -16.631 -12.972 1.00 53.25 C ATOM 89 CE1 HIS A 6 -1.758 -16.070 -14.644 1.00 22.02 C ATOM 90 NE2 HIS A 6 -0.549 -15.926 -14.147 1.00 74.22 N ATOM 0 H HIS A 6 -2.899 -19.834 -13.300 1.00 54.31 H new ATOM 0 HA HIS A 6 -0.496 -19.466 -11.747 1.00 33.12 H new ATOM 0 HB2 HIS A 6 -3.242 -18.143 -11.696 1.00 51.41 H new ATOM 0 HB3 HIS A 6 -1.894 -17.629 -10.700 1.00 51.41 H new ATOM 0 HD2 HIS A 6 0.407 -16.705 -12.332 1.00 53.25 H new ATOM 0 HE1 HIS A 6 -2.120 -15.629 -15.561 1.00 22.02 H new ATOM 0 HE2 HIS A 6 0.202 -15.378 -14.567 1.00 74.22 H new ATOM 99 N HIS A 7 -0.964 -20.827 -9.733 1.00 70.23 N ATOM 100 CA HIS A 7 -1.182 -21.608 -8.511 1.00 22.13 C ATOM 101 C HIS A 7 -1.335 -20.700 -7.278 1.00 20.30 C ATOM 102 O HIS A 7 -0.465 -19.878 -6.987 1.00 54.11 O ATOM 103 CB HIS A 7 -0.010 -22.578 -8.306 1.00 55.53 C ATOM 104 CG HIS A 7 -0.154 -23.469 -7.106 1.00 60.24 C ATOM 105 ND1 HIS A 7 -0.800 -24.685 -7.147 1.00 63.41 N ATOM 106 CD2 HIS A 7 0.278 -23.321 -5.829 1.00 12.22 C ATOM 107 CE1 HIS A 7 -0.762 -25.245 -5.955 1.00 3.23 C ATOM 108 NE2 HIS A 7 -0.117 -24.438 -5.138 1.00 51.22 N ATOM 0 H HIS A 7 0.014 -20.759 -10.015 1.00 70.23 H new ATOM 0 HA HIS A 7 -2.110 -22.168 -8.627 1.00 22.13 H new ATOM 0 HB2 HIS A 7 0.094 -23.199 -9.196 1.00 55.53 H new ATOM 0 HB3 HIS A 7 0.911 -22.003 -8.210 1.00 55.53 H new ATOM 0 HD2 HIS A 7 0.829 -22.482 -5.431 1.00 12.22 H new ATOM 0 HE1 HIS A 7 -1.187 -26.202 -5.693 1.00 3.23 H new ATOM 0 HE2 HIS A 7 0.060 -24.615 -4.149 1.00 51.22 H new ATOM 117 N HIS A 8 -2.436 -20.869 -6.544 1.00 63.03 N ATOM 118 CA HIS A 8 -2.681 -20.086 -5.326 1.00 33.41 C ATOM 119 C HIS A 8 -1.786 -20.579 -4.176 1.00 50.15 C ATOM 120 O HIS A 8 -2.104 -21.556 -3.495 1.00 14.03 O ATOM 121 CB HIS A 8 -4.162 -20.157 -4.928 1.00 44.32 C ATOM 122 CG HIS A 8 -5.080 -19.502 -5.919 1.00 50.32 C ATOM 123 ND1 HIS A 8 -5.628 -18.252 -5.726 1.00 22.40 N ATOM 124 CD2 HIS A 8 -5.547 -19.929 -7.116 1.00 22.35 C ATOM 125 CE1 HIS A 8 -6.390 -17.941 -6.755 1.00 45.12 C ATOM 126 NE2 HIS A 8 -6.357 -18.938 -7.615 1.00 1.32 N ATOM 0 H HIS A 8 -3.172 -21.539 -6.769 1.00 63.03 H new ATOM 0 HA HIS A 8 -2.431 -19.045 -5.531 1.00 33.41 H new ATOM 0 HB2 HIS A 8 -4.450 -21.202 -4.814 1.00 44.32 H new ATOM 0 HB3 HIS A 8 -4.292 -19.682 -3.955 1.00 44.32 H new ATOM 0 HD2 HIS A 8 -5.324 -20.873 -7.590 1.00 22.35 H new ATOM 0 HE1 HIS A 8 -6.947 -17.024 -6.873 1.00 45.12 H new ATOM 0 HE2 HIS A 8 -6.852 -18.969 -8.506 1.00 1.32 H new ATOM 135 N SER A 9 -0.654 -19.903 -3.979 1.00 21.40 N ATOM 136 CA SER A 9 0.356 -20.336 -2.996 1.00 3.33 C ATOM 137 C SER A 9 0.249 -19.574 -1.667 1.00 62.43 C ATOM 138 O SER A 9 0.791 -20.023 -0.657 1.00 62.11 O ATOM 139 CB SER A 9 1.770 -20.162 -3.575 1.00 41.41 C ATOM 140 OG SER A 9 2.763 -20.667 -2.688 1.00 42.33 O ATOM 0 H SER A 9 -0.408 -19.052 -4.484 1.00 21.40 H new ATOM 0 HA SER A 9 0.164 -21.389 -2.789 1.00 3.33 H new ATOM 0 HB2 SER A 9 1.839 -20.679 -4.532 1.00 41.41 H new ATOM 0 HB3 SER A 9 1.957 -19.106 -3.769 1.00 41.41 H new ATOM 0 HG SER A 9 2.412 -20.673 -1.773 1.00 42.33 H new ATOM 146 N HIS A 10 -0.446 -18.432 -1.675 1.00 2.04 N ATOM 147 CA HIS A 10 -0.576 -17.573 -0.481 1.00 55.32 C ATOM 148 C HIS A 10 0.780 -17.011 -0.006 1.00 12.20 C ATOM 149 O HIS A 10 1.569 -17.716 0.621 1.00 65.45 O ATOM 150 CB HIS A 10 -1.256 -18.329 0.676 1.00 23.52 C ATOM 151 CG HIS A 10 -2.739 -18.472 0.524 1.00 13.33 C ATOM 152 ND1 HIS A 10 -3.639 -17.884 1.387 1.00 43.10 N ATOM 153 CD2 HIS A 10 -3.483 -19.141 -0.389 1.00 15.23 C ATOM 154 CE1 HIS A 10 -4.865 -18.181 1.015 1.00 74.43 C ATOM 155 NE2 HIS A 10 -4.800 -18.939 -0.057 1.00 22.12 N ATOM 0 H HIS A 10 -0.932 -18.075 -2.498 1.00 2.04 H new ATOM 0 HA HIS A 10 -1.201 -16.731 -0.779 1.00 55.32 H new ATOM 0 HB2 HIS A 10 -0.812 -19.321 0.758 1.00 23.52 H new ATOM 0 HB3 HIS A 10 -1.046 -17.808 1.610 1.00 23.52 H new ATOM 0 HD2 HIS A 10 -3.111 -19.722 -1.220 1.00 15.23 H new ATOM 0 HE1 HIS A 10 -5.771 -17.857 1.506 1.00 74.43 H new ATOM 0 HE2 HIS A 10 -5.601 -19.317 -0.562 1.00 22.12 H new ATOM 164 N PRO A 11 1.077 -15.729 -0.313 1.00 24.11 N ATOM 165 CA PRO A 11 2.272 -15.050 0.214 1.00 73.55 C ATOM 166 C PRO A 11 2.177 -14.821 1.733 1.00 2.53 C ATOM 167 O PRO A 11 1.194 -14.259 2.224 1.00 11.01 O ATOM 168 CB PRO A 11 2.293 -13.701 -0.538 1.00 42.15 C ATOM 169 CG PRO A 11 1.332 -13.864 -1.672 1.00 12.33 C ATOM 170 CD PRO A 11 0.299 -14.850 -1.197 1.00 3.13 C ATOM 0 HA PRO A 11 3.176 -15.640 0.065 1.00 73.55 H new ATOM 0 HB2 PRO A 11 1.994 -12.882 0.116 1.00 42.15 H new ATOM 0 HB3 PRO A 11 3.294 -13.469 -0.902 1.00 42.15 H new ATOM 0 HG2 PRO A 11 0.872 -12.911 -1.934 1.00 12.33 H new ATOM 0 HG3 PRO A 11 1.839 -14.229 -2.565 1.00 12.33 H new ATOM 0 HD2 PRO A 11 -0.516 -14.359 -0.665 1.00 3.13 H new ATOM 0 HD3 PRO A 11 -0.147 -15.400 -2.025 1.00 3.13 H new ATOM 178 N ASN A 12 3.191 -15.272 2.471 1.00 60.15 N ATOM 179 CA ASN A 12 3.225 -15.112 3.930 1.00 43.41 C ATOM 180 C ASN A 12 3.181 -13.634 4.352 1.00 43.21 C ATOM 181 O ASN A 12 3.428 -12.733 3.546 1.00 41.43 O ATOM 182 CB ASN A 12 4.472 -15.788 4.512 1.00 64.41 C ATOM 183 CG ASN A 12 4.503 -17.281 4.244 1.00 32.20 C ATOM 184 OD1 ASN A 12 4.007 -17.756 3.225 1.00 73.25 O ATOM 185 ND2 ASN A 12 5.067 -18.033 5.164 1.00 62.52 N ATOM 0 H ASN A 12 4.003 -15.753 2.084 1.00 60.15 H new ATOM 0 HA ASN A 12 2.332 -15.594 4.328 1.00 43.41 H new ATOM 0 HB2 ASN A 12 5.363 -15.327 4.086 1.00 64.41 H new ATOM 0 HB3 ASN A 12 4.507 -15.615 5.588 1.00 64.41 H new ATOM 0 HD21 ASN A 12 5.103 -19.045 5.044 1.00 62.52 H new ATOM 0 HD22 ASN A 12 5.469 -17.604 5.998 1.00 62.52 H new ATOM 192 N GLU A 13 2.881 -13.402 5.630 1.00 31.04 N ATOM 193 CA GLU A 13 2.701 -12.049 6.171 1.00 11.13 C ATOM 194 C GLU A 13 3.846 -11.097 5.787 1.00 14.12 C ATOM 195 O GLU A 13 3.617 -10.066 5.146 1.00 71.33 O ATOM 196 CB GLU A 13 2.569 -12.121 7.699 1.00 3.32 C ATOM 197 CG GLU A 13 2.392 -10.764 8.373 1.00 3.14 C ATOM 198 CD GLU A 13 2.179 -10.878 9.874 1.00 2.34 C ATOM 199 OE1 GLU A 13 1.015 -11.005 10.306 1.00 22.14 O ATOM 200 OE2 GLU A 13 3.172 -10.832 10.629 1.00 44.43 O ATOM 0 H GLU A 13 2.756 -14.143 6.320 1.00 31.04 H new ATOM 0 HA GLU A 13 1.790 -11.642 5.732 1.00 11.13 H new ATOM 0 HB2 GLU A 13 1.717 -12.753 7.950 1.00 3.32 H new ATOM 0 HB3 GLU A 13 3.456 -12.605 8.107 1.00 3.32 H new ATOM 0 HG2 GLU A 13 3.272 -10.150 8.181 1.00 3.14 H new ATOM 0 HG3 GLU A 13 1.541 -10.250 7.927 1.00 3.14 H new ATOM 207 N GLU A 14 5.076 -11.442 6.167 1.00 2.34 N ATOM 208 CA GLU A 14 6.230 -10.588 5.875 1.00 51.41 C ATOM 209 C GLU A 14 6.568 -10.589 4.377 1.00 2.30 C ATOM 210 O GLU A 14 7.040 -9.587 3.843 1.00 41.35 O ATOM 211 CB GLU A 14 7.455 -11.027 6.686 1.00 52.04 C ATOM 212 CG GLU A 14 8.621 -10.045 6.607 1.00 0.22 C ATOM 213 CD GLU A 14 9.843 -10.518 7.373 1.00 33.42 C ATOM 214 OE1 GLU A 14 9.733 -10.744 8.599 1.00 35.23 O ATOM 215 OE2 GLU A 14 10.919 -10.664 6.759 1.00 2.11 O ATOM 0 H GLU A 14 5.299 -12.299 6.673 1.00 2.34 H new ATOM 0 HA GLU A 14 5.960 -9.572 6.164 1.00 51.41 H new ATOM 0 HB2 GLU A 14 7.165 -11.151 7.729 1.00 52.04 H new ATOM 0 HB3 GLU A 14 7.787 -12.002 6.329 1.00 52.04 H new ATOM 0 HG2 GLU A 14 8.890 -9.891 5.562 1.00 0.22 H new ATOM 0 HG3 GLU A 14 8.303 -9.079 7.000 1.00 0.22 H new ATOM 222 N ALA A 15 6.325 -11.715 3.705 1.00 4.30 N ATOM 223 CA ALA A 15 6.591 -11.831 2.262 1.00 54.42 C ATOM 224 C ALA A 15 5.821 -10.773 1.452 1.00 5.21 C ATOM 225 O ALA A 15 6.402 -10.063 0.629 1.00 24.21 O ATOM 226 CB ALA A 15 6.236 -13.231 1.771 1.00 42.04 C ATOM 0 H ALA A 15 5.945 -12.560 4.131 1.00 4.30 H new ATOM 0 HA ALA A 15 7.656 -11.655 2.108 1.00 54.42 H new ATOM 0 HB1 ALA A 15 6.437 -13.304 0.702 1.00 42.04 H new ATOM 0 HB2 ALA A 15 6.837 -13.967 2.304 1.00 42.04 H new ATOM 0 HB3 ALA A 15 5.179 -13.424 1.955 1.00 42.04 H new ATOM 232 N ARG A 16 4.512 -10.671 1.689 1.00 10.22 N ATOM 233 CA ARG A 16 3.685 -9.652 1.022 1.00 11.15 C ATOM 234 C ARG A 16 3.992 -8.241 1.559 1.00 52.10 C ATOM 235 O ARG A 16 3.960 -7.260 0.814 1.00 41.24 O ATOM 236 CB ARG A 16 2.192 -9.985 1.172 1.00 44.13 C ATOM 237 CG ARG A 16 1.727 -10.123 2.618 1.00 74.31 C ATOM 238 CD ARG A 16 0.273 -10.580 2.700 1.00 21.02 C ATOM 239 NE ARG A 16 -0.161 -10.795 4.080 1.00 14.34 N ATOM 240 CZ ARG A 16 -1.255 -11.430 4.406 1.00 23.12 C ATOM 241 NH1 ARG A 16 -2.032 -11.910 3.490 1.00 64.31 N ATOM 242 NH2 ARG A 16 -1.577 -11.584 5.648 1.00 33.52 N ATOM 0 H ARG A 16 4.000 -11.275 2.332 1.00 10.22 H new ATOM 0 HA ARG A 16 3.933 -9.660 -0.039 1.00 11.15 H new ATOM 0 HB2 ARG A 16 1.606 -9.205 0.686 1.00 44.13 H new ATOM 0 HB3 ARG A 16 1.983 -10.916 0.644 1.00 44.13 H new ATOM 0 HG2 ARG A 16 2.364 -10.838 3.139 1.00 74.31 H new ATOM 0 HG3 ARG A 16 1.838 -9.167 3.129 1.00 74.31 H new ATOM 0 HD2 ARG A 16 -0.368 -9.833 2.231 1.00 21.02 H new ATOM 0 HD3 ARG A 16 0.152 -11.504 2.135 1.00 21.02 H new ATOM 0 HE ARG A 16 0.424 -10.428 4.831 1.00 14.34 H new ATOM 0 HH11 ARG A 16 -1.792 -11.794 2.505 1.00 64.31 H new ATOM 0 HH12 ARG A 16 -2.885 -12.405 3.752 1.00 64.31 H new ATOM 0 HH21 ARG A 16 -0.975 -11.209 6.381 1.00 33.52 H new ATOM 0 HH22 ARG A 16 -2.433 -12.081 5.895 1.00 33.52 H new ATOM 256 N LEU A 17 4.294 -8.149 2.854 1.00 41.42 N ATOM 257 CA LEU A 17 4.708 -6.881 3.469 1.00 52.55 C ATOM 258 C LEU A 17 5.985 -6.335 2.813 1.00 41.34 C ATOM 259 O LEU A 17 6.108 -5.137 2.562 1.00 50.22 O ATOM 260 CB LEU A 17 4.936 -7.075 4.980 1.00 31.42 C ATOM 261 CG LEU A 17 5.666 -5.924 5.706 1.00 31.20 C ATOM 262 CD1 LEU A 17 4.888 -4.616 5.601 1.00 1.01 C ATOM 263 CD2 LEU A 17 5.922 -6.279 7.168 1.00 35.24 C ATOM 0 H LEU A 17 4.261 -8.937 3.501 1.00 41.42 H new ATOM 0 HA LEU A 17 3.909 -6.155 3.314 1.00 52.55 H new ATOM 0 HB2 LEU A 17 3.968 -7.223 5.458 1.00 31.42 H new ATOM 0 HB3 LEU A 17 5.508 -7.991 5.127 1.00 31.42 H new ATOM 0 HG LEU A 17 6.627 -5.782 5.212 1.00 31.20 H new ATOM 0 HD11 LEU A 17 5.430 -3.827 6.123 1.00 1.01 H new ATOM 0 HD12 LEU A 17 4.773 -4.344 4.552 1.00 1.01 H new ATOM 0 HD13 LEU A 17 3.904 -4.740 6.053 1.00 1.01 H new ATOM 0 HD21 LEU A 17 6.437 -5.453 7.658 1.00 35.24 H new ATOM 0 HD22 LEU A 17 4.972 -6.463 7.670 1.00 35.24 H new ATOM 0 HD23 LEU A 17 6.540 -7.175 7.222 1.00 35.24 H new ATOM 275 N ASP A 18 6.926 -7.229 2.521 1.00 44.31 N ATOM 276 CA ASP A 18 8.221 -6.841 1.970 1.00 42.22 C ATOM 277 C ASP A 18 8.067 -6.137 0.611 1.00 55.15 C ATOM 278 O ASP A 18 8.850 -5.251 0.263 1.00 3.33 O ATOM 279 CB ASP A 18 9.122 -8.073 1.852 1.00 60.02 C ATOM 280 CG ASP A 18 10.581 -7.702 1.677 1.00 23.25 C ATOM 281 OD1 ASP A 18 11.120 -6.981 2.545 1.00 40.55 O ATOM 282 OD2 ASP A 18 11.203 -8.144 0.690 1.00 43.01 O ATOM 0 H ASP A 18 6.814 -8.234 2.658 1.00 44.31 H new ATOM 0 HA ASP A 18 8.686 -6.127 2.650 1.00 42.22 H new ATOM 0 HB2 ASP A 18 9.010 -8.689 2.744 1.00 60.02 H new ATOM 0 HB3 ASP A 18 8.799 -8.677 1.005 1.00 60.02 H new ATOM 287 N ILE A 19 7.041 -6.526 -0.144 1.00 31.14 N ATOM 288 CA ILE A 19 6.717 -5.870 -1.418 1.00 61.34 C ATOM 289 C ILE A 19 6.308 -4.406 -1.184 1.00 33.22 C ATOM 290 O ILE A 19 6.773 -3.490 -1.873 1.00 5.51 O ATOM 291 CB ILE A 19 5.561 -6.603 -2.143 1.00 23.54 C ATOM 292 CG1 ILE A 19 5.850 -8.111 -2.242 1.00 11.12 C ATOM 293 CG2 ILE A 19 5.336 -6.007 -3.535 1.00 44.21 C ATOM 294 CD1 ILE A 19 4.673 -8.924 -2.740 1.00 22.23 C ATOM 0 H ILE A 19 6.416 -7.294 0.102 1.00 31.14 H new ATOM 0 HA ILE A 19 7.611 -5.906 -2.040 1.00 61.34 H new ATOM 0 HB ILE A 19 4.651 -6.467 -1.559 1.00 23.54 H new ATOM 0 HG12 ILE A 19 6.697 -8.267 -2.910 1.00 11.12 H new ATOM 0 HG13 ILE A 19 6.146 -8.481 -1.260 1.00 11.12 H new ATOM 0 HG21 ILE A 19 4.520 -6.535 -4.029 1.00 44.21 H new ATOM 0 HG22 ILE A 19 5.082 -4.951 -3.442 1.00 44.21 H new ATOM 0 HG23 ILE A 19 6.246 -6.110 -4.126 1.00 44.21 H new ATOM 0 HD11 ILE A 19 4.951 -9.977 -2.784 1.00 22.23 H new ATOM 0 HD12 ILE A 19 3.831 -8.799 -2.060 1.00 22.23 H new ATOM 0 HD13 ILE A 19 4.390 -8.582 -3.735 1.00 22.23 H new ATOM 306 N LEU A 20 5.430 -4.199 -0.203 1.00 34.02 N ATOM 307 CA LEU A 20 5.014 -2.854 0.217 1.00 24.34 C ATOM 308 C LEU A 20 6.219 -2.038 0.706 1.00 52.33 C ATOM 309 O LEU A 20 6.349 -0.850 0.405 1.00 42.30 O ATOM 310 CB LEU A 20 3.960 -2.961 1.329 1.00 35.43 C ATOM 311 CG LEU A 20 2.649 -3.658 0.923 1.00 4.02 C ATOM 312 CD1 LEU A 20 1.827 -4.029 2.153 1.00 50.20 C ATOM 313 CD2 LEU A 20 1.838 -2.769 -0.019 1.00 44.44 C ATOM 0 H LEU A 20 4.987 -4.952 0.323 1.00 34.02 H new ATOM 0 HA LEU A 20 4.581 -2.340 -0.641 1.00 24.34 H new ATOM 0 HB2 LEU A 20 4.395 -3.502 2.170 1.00 35.43 H new ATOM 0 HB3 LEU A 20 3.725 -1.957 1.683 1.00 35.43 H new ATOM 0 HG LEU A 20 2.902 -4.578 0.396 1.00 4.02 H new ATOM 0 HD11 LEU A 20 0.906 -4.520 1.840 1.00 50.20 H new ATOM 0 HD12 LEU A 20 2.402 -4.706 2.785 1.00 50.20 H new ATOM 0 HD13 LEU A 20 1.585 -3.127 2.714 1.00 50.20 H new ATOM 0 HD21 LEU A 20 0.915 -3.278 -0.295 1.00 44.44 H new ATOM 0 HD22 LEU A 20 1.599 -1.831 0.482 1.00 44.44 H new ATOM 0 HD23 LEU A 20 2.421 -2.563 -0.917 1.00 44.44 H new ATOM 325 N LYS A 21 7.099 -2.691 1.460 1.00 32.15 N ATOM 326 CA LYS A 21 8.341 -2.072 1.932 1.00 31.21 C ATOM 327 C LYS A 21 9.201 -1.571 0.754 1.00 12.44 C ATOM 328 O LYS A 21 9.602 -0.410 0.722 1.00 71.24 O ATOM 329 CB LYS A 21 9.128 -3.080 2.780 1.00 32.12 C ATOM 330 CG LYS A 21 8.442 -3.442 4.098 1.00 25.21 C ATOM 331 CD LYS A 21 9.004 -4.731 4.696 1.00 5.42 C ATOM 332 CE LYS A 21 10.499 -4.642 4.970 1.00 34.05 C ATOM 333 NZ LYS A 21 11.095 -5.985 5.207 1.00 50.34 N ATOM 0 H LYS A 21 6.976 -3.658 1.761 1.00 32.15 H new ATOM 0 HA LYS A 21 8.085 -1.207 2.544 1.00 31.21 H new ATOM 0 HB2 LYS A 21 9.281 -3.989 2.199 1.00 32.12 H new ATOM 0 HB3 LYS A 21 10.114 -2.669 2.995 1.00 32.12 H new ATOM 0 HG2 LYS A 21 8.569 -2.626 4.810 1.00 25.21 H new ATOM 0 HG3 LYS A 21 7.371 -3.556 3.931 1.00 25.21 H new ATOM 0 HD2 LYS A 21 8.480 -4.955 5.625 1.00 5.42 H new ATOM 0 HD3 LYS A 21 8.811 -5.559 4.013 1.00 5.42 H new ATOM 0 HE2 LYS A 21 10.996 -4.167 4.124 1.00 34.05 H new ATOM 0 HE3 LYS A 21 10.673 -4.008 5.839 1.00 34.05 H new ATOM 0 HZ1 LYS A 21 12.044 -5.876 5.618 1.00 50.34 H new ATOM 0 HZ2 LYS A 21 10.492 -6.521 5.863 1.00 50.34 H new ATOM 0 HZ3 LYS A 21 11.166 -6.498 4.305 1.00 50.34 H new ATOM 347 N ILE A 22 9.452 -2.445 -0.223 1.00 34.34 N ATOM 348 CA ILE A 22 10.244 -2.081 -1.409 1.00 74.24 C ATOM 349 C ILE A 22 9.688 -0.824 -2.109 1.00 53.02 C ATOM 350 O ILE A 22 10.428 0.125 -2.379 1.00 22.21 O ATOM 351 CB ILE A 22 10.299 -3.253 -2.425 1.00 1.44 C ATOM 352 CG1 ILE A 22 11.038 -4.457 -1.812 1.00 71.41 C ATOM 353 CG2 ILE A 22 10.973 -2.816 -3.727 1.00 3.54 C ATOM 354 CD1 ILE A 22 11.068 -5.682 -2.704 1.00 34.45 C ATOM 0 H ILE A 22 9.121 -3.410 -0.220 1.00 34.34 H new ATOM 0 HA ILE A 22 11.252 -1.862 -1.056 1.00 74.24 H new ATOM 0 HB ILE A 22 9.277 -3.552 -2.658 1.00 1.44 H new ATOM 0 HG12 ILE A 22 12.062 -4.163 -1.582 1.00 71.41 H new ATOM 0 HG13 ILE A 22 10.562 -4.720 -0.867 1.00 71.41 H new ATOM 0 HG21 ILE A 22 10.999 -3.655 -4.422 1.00 3.54 H new ATOM 0 HG22 ILE A 22 10.410 -1.995 -4.170 1.00 3.54 H new ATOM 0 HG23 ILE A 22 11.991 -2.487 -3.517 1.00 3.54 H new ATOM 0 HD11 ILE A 22 11.606 -6.485 -2.201 1.00 34.45 H new ATOM 0 HD12 ILE A 22 10.048 -6.004 -2.914 1.00 34.45 H new ATOM 0 HD13 ILE A 22 11.572 -5.439 -3.640 1.00 34.45 H new ATOM 366 N HIS A 23 8.383 -0.819 -2.389 1.00 64.34 N ATOM 367 CA HIS A 23 7.740 0.325 -3.055 1.00 33.20 C ATOM 368 C HIS A 23 7.747 1.582 -2.167 1.00 33.14 C ATOM 369 O HIS A 23 8.083 2.673 -2.626 1.00 11.20 O ATOM 370 CB HIS A 23 6.301 -0.023 -3.467 1.00 63.30 C ATOM 371 CG HIS A 23 6.226 -0.936 -4.651 1.00 50.00 C ATOM 372 ND1 HIS A 23 6.224 -0.478 -5.950 1.00 21.53 N ATOM 373 CD2 HIS A 23 6.144 -2.284 -4.734 1.00 71.15 C ATOM 374 CE1 HIS A 23 6.145 -1.497 -6.778 1.00 21.15 C ATOM 375 NE2 HIS A 23 6.095 -2.607 -6.069 1.00 23.34 N ATOM 0 H HIS A 23 7.750 -1.588 -2.168 1.00 64.34 H new ATOM 0 HA HIS A 23 8.322 0.545 -3.950 1.00 33.20 H new ATOM 0 HB2 HIS A 23 5.793 -0.491 -2.624 1.00 63.30 H new ATOM 0 HB3 HIS A 23 5.763 0.898 -3.693 1.00 63.30 H new ATOM 0 HD2 HIS A 23 6.121 -2.977 -3.906 1.00 71.15 H new ATOM 0 HE1 HIS A 23 6.125 -1.435 -7.856 1.00 21.15 H new ATOM 0 HE2 HIS A 23 6.030 -3.551 -6.449 1.00 23.34 H new ATOM 384 N SER A 24 7.395 1.420 -0.893 1.00 72.03 N ATOM 385 CA SER A 24 7.316 2.552 0.044 1.00 12.01 C ATOM 386 C SER A 24 8.650 3.307 0.148 1.00 53.24 C ATOM 387 O SER A 24 8.670 4.527 0.311 1.00 73.02 O ATOM 388 CB SER A 24 6.885 2.071 1.433 1.00 70.12 C ATOM 389 OG SER A 24 7.848 1.205 2.001 1.00 13.41 O ATOM 0 H SER A 24 7.159 0.518 -0.480 1.00 72.03 H new ATOM 0 HA SER A 24 6.569 3.242 -0.350 1.00 12.01 H new ATOM 0 HB2 SER A 24 6.735 2.930 2.087 1.00 70.12 H new ATOM 0 HB3 SER A 24 5.928 1.555 1.360 1.00 70.12 H new ATOM 0 HG SER A 24 8.338 0.747 1.286 1.00 13.41 H new ATOM 395 N ARG A 25 9.762 2.578 0.052 1.00 53.11 N ATOM 396 CA ARG A 25 11.099 3.198 0.036 1.00 34.42 C ATOM 397 C ARG A 25 11.258 4.156 -1.159 1.00 73.12 C ATOM 398 O ARG A 25 11.884 5.216 -1.048 1.00 63.14 O ATOM 399 CB ARG A 25 12.188 2.117 -0.034 1.00 54.30 C ATOM 400 CG ARG A 25 12.175 1.140 1.136 1.00 4.50 C ATOM 401 CD ARG A 25 13.210 0.034 0.958 1.00 23.14 C ATOM 402 NE ARG A 25 13.120 -0.981 2.005 1.00 65.53 N ATOM 403 CZ ARG A 25 14.074 -1.825 2.293 1.00 21.40 C ATOM 404 NH1 ARG A 25 15.218 -1.760 1.686 1.00 70.20 N ATOM 405 NH2 ARG A 25 13.888 -2.721 3.207 1.00 52.45 N ATOM 0 H ARG A 25 9.770 1.560 -0.016 1.00 53.11 H new ATOM 0 HA ARG A 25 11.207 3.769 0.958 1.00 34.42 H new ATOM 0 HB2 ARG A 25 12.069 1.557 -0.962 1.00 54.30 H new ATOM 0 HB3 ARG A 25 13.163 2.602 -0.077 1.00 54.30 H new ATOM 0 HG2 ARG A 25 12.374 1.679 2.062 1.00 4.50 H new ATOM 0 HG3 ARG A 25 11.183 0.698 1.231 1.00 4.50 H new ATOM 0 HD2 ARG A 25 13.072 -0.437 -0.015 1.00 23.14 H new ATOM 0 HD3 ARG A 25 14.209 0.470 0.962 1.00 23.14 H new ATOM 0 HE ARG A 25 12.257 -1.034 2.546 1.00 65.53 H new ATOM 0 HH11 ARG A 25 15.379 -1.045 0.977 1.00 70.20 H new ATOM 0 HH12 ARG A 25 15.957 -2.424 1.918 1.00 70.20 H new ATOM 0 HH21 ARG A 25 12.997 -2.768 3.702 1.00 52.45 H new ATOM 0 HH22 ARG A 25 14.632 -3.381 3.433 1.00 52.45 H new ATOM 419 N LYS A 26 10.689 3.767 -2.299 1.00 72.41 N ATOM 420 CA LYS A 26 10.735 4.579 -3.521 1.00 60.44 C ATOM 421 C LYS A 26 9.635 5.656 -3.510 1.00 71.04 C ATOM 422 O LYS A 26 9.693 6.638 -4.253 1.00 73.21 O ATOM 423 CB LYS A 26 10.594 3.669 -4.749 1.00 12.10 C ATOM 424 CG LYS A 26 11.653 2.565 -4.810 1.00 1.03 C ATOM 425 CD LYS A 26 11.470 1.669 -6.031 1.00 71.45 C ATOM 426 CE LYS A 26 12.503 0.549 -6.070 1.00 11.43 C ATOM 427 NZ LYS A 26 12.352 -0.296 -7.281 1.00 50.34 N ATOM 0 H LYS A 26 10.185 2.886 -2.405 1.00 72.41 H new ATOM 0 HA LYS A 26 11.696 5.091 -3.566 1.00 60.44 H new ATOM 0 HB2 LYS A 26 9.604 3.213 -4.743 1.00 12.10 H new ATOM 0 HB3 LYS A 26 10.660 4.276 -5.652 1.00 12.10 H new ATOM 0 HG2 LYS A 26 12.646 3.015 -4.835 1.00 1.03 H new ATOM 0 HG3 LYS A 26 11.600 1.960 -3.905 1.00 1.03 H new ATOM 0 HD2 LYS A 26 10.468 1.240 -6.020 1.00 71.45 H new ATOM 0 HD3 LYS A 26 11.550 2.269 -6.938 1.00 71.45 H new ATOM 0 HE2 LYS A 26 13.505 0.977 -6.048 1.00 11.43 H new ATOM 0 HE3 LYS A 26 12.402 -0.071 -5.179 1.00 11.43 H new ATOM 0 HZ1 LYS A 26 13.072 -1.047 -7.272 1.00 50.34 H new ATOM 0 HZ2 LYS A 26 11.405 -0.725 -7.289 1.00 50.34 H new ATOM 0 HZ3 LYS A 26 12.474 0.291 -8.131 1.00 50.34 H new ATOM 441 N MET A 27 8.631 5.457 -2.661 1.00 5.42 N ATOM 442 CA MET A 27 7.570 6.448 -2.445 1.00 21.11 C ATOM 443 C MET A 27 7.873 7.309 -1.204 1.00 4.22 C ATOM 444 O MET A 27 8.949 7.202 -0.614 1.00 22.32 O ATOM 445 CB MET A 27 6.220 5.728 -2.293 1.00 64.13 C ATOM 446 CG MET A 27 5.849 4.886 -3.509 1.00 33.53 C ATOM 447 SD MET A 27 4.347 3.913 -3.263 1.00 75.14 S ATOM 448 CE MET A 27 3.140 5.203 -2.966 1.00 73.41 C ATOM 0 H MET A 27 8.526 4.609 -2.103 1.00 5.42 H new ATOM 0 HA MET A 27 7.523 7.113 -3.307 1.00 21.11 H new ATOM 0 HB2 MET A 27 6.254 5.087 -1.412 1.00 64.13 H new ATOM 0 HB3 MET A 27 5.438 6.468 -2.119 1.00 64.13 H new ATOM 0 HG2 MET A 27 5.714 5.541 -4.370 1.00 33.53 H new ATOM 0 HG3 MET A 27 6.675 4.215 -3.745 1.00 33.53 H new ATOM 0 HE1 MET A 27 2.207 4.951 -3.470 1.00 73.41 H new ATOM 0 HE2 MET A 27 2.961 5.294 -1.895 1.00 73.41 H new ATOM 0 HE3 MET A 27 3.517 6.150 -3.353 1.00 73.41 H new ATOM 458 N ASN A 28 6.945 8.179 -0.820 1.00 40.14 N ATOM 459 CA ASN A 28 7.134 9.026 0.367 1.00 64.50 C ATOM 460 C ASN A 28 6.234 8.569 1.525 1.00 30.34 C ATOM 461 O ASN A 28 5.010 8.645 1.432 1.00 71.01 O ATOM 462 CB ASN A 28 6.823 10.486 0.032 1.00 42.33 C ATOM 463 CG ASN A 28 7.553 10.983 -1.201 1.00 31.04 C ATOM 464 OD1 ASN A 28 8.652 10.541 -1.520 1.00 34.42 O ATOM 465 ND2 ASN A 28 6.942 11.910 -1.908 1.00 35.13 N ATOM 0 H ASN A 28 6.059 8.321 -1.305 1.00 40.14 H new ATOM 0 HA ASN A 28 8.175 8.934 0.676 1.00 64.50 H new ATOM 0 HB2 ASN A 28 5.749 10.597 -0.120 1.00 42.33 H new ATOM 0 HB3 ASN A 28 7.091 11.113 0.883 1.00 42.33 H new ATOM 0 HD21 ASN A 28 7.382 12.283 -2.749 1.00 35.13 H new ATOM 0 HD22 ASN A 28 6.028 12.256 -1.615 1.00 35.13 H new ATOM 472 N LEU A 29 6.838 8.106 2.618 1.00 53.43 N ATOM 473 CA LEU A 29 6.073 7.644 3.788 1.00 74.22 C ATOM 474 C LEU A 29 5.870 8.754 4.830 1.00 1.33 C ATOM 475 O LEU A 29 6.704 9.650 4.977 1.00 53.24 O ATOM 476 CB LEU A 29 6.771 6.446 4.445 1.00 52.35 C ATOM 477 CG LEU A 29 6.753 5.144 3.630 1.00 35.24 C ATOM 478 CD1 LEU A 29 7.487 4.031 4.379 1.00 22.42 C ATOM 479 CD2 LEU A 29 5.315 4.734 3.313 1.00 23.11 C ATOM 0 H LEU A 29 7.850 8.039 2.723 1.00 53.43 H new ATOM 0 HA LEU A 29 5.090 7.346 3.424 1.00 74.22 H new ATOM 0 HB2 LEU A 29 7.808 6.716 4.644 1.00 52.35 H new ATOM 0 HB3 LEU A 29 6.300 6.257 5.410 1.00 52.35 H new ATOM 0 HG LEU A 29 7.273 5.316 2.688 1.00 35.24 H new ATOM 0 HD11 LEU A 29 7.464 3.117 3.786 1.00 22.42 H new ATOM 0 HD12 LEU A 29 8.522 4.328 4.548 1.00 22.42 H new ATOM 0 HD13 LEU A 29 6.999 3.854 5.338 1.00 22.42 H new ATOM 0 HD21 LEU A 29 5.319 3.810 2.735 1.00 23.11 H new ATOM 0 HD22 LEU A 29 4.768 4.578 4.243 1.00 23.11 H new ATOM 0 HD23 LEU A 29 4.831 5.521 2.735 1.00 23.11 H new ATOM 491 N THR A 30 4.747 8.685 5.545 1.00 1.25 N ATOM 492 CA THR A 30 4.455 9.619 6.644 1.00 4.13 C ATOM 493 C THR A 30 5.118 9.158 7.958 1.00 2.23 C ATOM 494 O THR A 30 5.848 8.162 7.981 1.00 23.44 O ATOM 495 CB THR A 30 2.925 9.760 6.865 1.00 0.24 C ATOM 496 OG1 THR A 30 2.647 10.808 7.811 1.00 10.42 O ATOM 497 CG2 THR A 30 2.320 8.451 7.363 1.00 32.34 C ATOM 0 H THR A 30 4.018 7.990 5.385 1.00 1.25 H new ATOM 0 HA THR A 30 4.866 10.588 6.360 1.00 4.13 H new ATOM 0 HB THR A 30 2.474 10.012 5.905 1.00 0.24 H new ATOM 0 HG1 THR A 30 1.678 10.885 7.938 1.00 10.42 H new ATOM 0 HG21 THR A 30 1.247 8.578 7.509 1.00 32.34 H new ATOM 0 HG22 THR A 30 2.495 7.666 6.627 1.00 32.34 H new ATOM 0 HG23 THR A 30 2.785 8.172 8.309 1.00 32.34 H new ATOM 505 N ARG A 31 4.863 9.879 9.047 1.00 64.34 N ATOM 506 CA ARG A 31 5.422 9.529 10.358 1.00 64.10 C ATOM 507 C ARG A 31 4.545 8.501 11.090 1.00 73.01 C ATOM 508 O ARG A 31 3.350 8.727 11.307 1.00 31.02 O ATOM 509 CB ARG A 31 5.580 10.790 11.219 1.00 61.34 C ATOM 510 CG ARG A 31 6.632 11.765 10.696 1.00 12.15 C ATOM 511 CD ARG A 31 8.030 11.155 10.731 1.00 21.24 C ATOM 512 NE ARG A 31 9.043 12.069 10.211 1.00 4.04 N ATOM 513 CZ ARG A 31 9.774 12.854 10.953 1.00 35.03 C ATOM 514 NH1 ARG A 31 9.613 12.886 12.237 1.00 15.24 N ATOM 515 NH2 ARG A 31 10.670 13.610 10.412 1.00 55.54 N ATOM 0 H ARG A 31 4.273 10.711 9.051 1.00 64.34 H new ATOM 0 HA ARG A 31 6.400 9.078 10.192 1.00 64.10 H new ATOM 0 HB2 ARG A 31 4.620 11.302 11.276 1.00 61.34 H new ATOM 0 HB3 ARG A 31 5.845 10.495 12.234 1.00 61.34 H new ATOM 0 HG2 ARG A 31 6.386 12.053 9.674 1.00 12.15 H new ATOM 0 HG3 ARG A 31 6.616 12.675 11.296 1.00 12.15 H new ATOM 0 HD2 ARG A 31 8.280 10.883 11.756 1.00 21.24 H new ATOM 0 HD3 ARG A 31 8.038 10.235 10.146 1.00 21.24 H new ATOM 0 HE ARG A 31 9.188 12.095 9.202 1.00 4.04 H new ATOM 0 HH11 ARG A 31 8.909 12.294 12.678 1.00 15.24 H new ATOM 0 HH12 ARG A 31 10.190 13.504 12.808 1.00 15.24 H new ATOM 0 HH21 ARG A 31 10.808 13.595 9.401 1.00 55.54 H new ATOM 0 HH22 ARG A 31 11.240 14.223 10.995 1.00 55.54 H new ATOM 529 N GLY A 32 5.151 7.380 11.476 1.00 72.24 N ATOM 530 CA GLY A 32 4.424 6.328 12.178 1.00 54.23 C ATOM 531 C GLY A 32 3.371 5.649 11.310 1.00 35.13 C ATOM 532 O GLY A 32 2.174 5.725 11.594 1.00 45.44 O ATOM 0 H GLY A 32 6.138 7.179 11.315 1.00 72.24 H new ATOM 0 HA2 GLY A 32 5.132 5.579 12.532 1.00 54.23 H new ATOM 0 HA3 GLY A 32 3.942 6.753 13.058 1.00 54.23 H new ATOM 536 N ILE A 33 3.815 4.980 10.253 1.00 33.31 N ATOM 537 CA ILE A 33 2.899 4.310 9.322 1.00 63.53 C ATOM 538 C ILE A 33 2.990 2.774 9.446 1.00 45.21 C ATOM 539 O ILE A 33 4.051 2.177 9.238 1.00 71.14 O ATOM 540 CB ILE A 33 3.175 4.759 7.859 1.00 64.14 C ATOM 541 CG1 ILE A 33 2.145 4.137 6.900 1.00 13.53 C ATOM 542 CG2 ILE A 33 4.604 4.414 7.430 1.00 45.02 C ATOM 543 CD1 ILE A 33 2.315 4.562 5.455 1.00 60.33 C ATOM 0 H ILE A 33 4.802 4.884 10.014 1.00 33.31 H new ATOM 0 HA ILE A 33 1.884 4.605 9.589 1.00 63.53 H new ATOM 0 HB ILE A 33 3.073 5.843 7.815 1.00 64.14 H new ATOM 0 HG12 ILE A 33 2.217 3.051 6.960 1.00 13.53 H new ATOM 0 HG13 ILE A 33 1.143 4.409 7.233 1.00 13.53 H new ATOM 0 HG21 ILE A 33 4.764 4.741 6.403 1.00 45.02 H new ATOM 0 HG22 ILE A 33 5.313 4.919 8.086 1.00 45.02 H new ATOM 0 HG23 ILE A 33 4.753 3.336 7.495 1.00 45.02 H new ATOM 0 HD11 ILE A 33 1.552 4.082 4.842 1.00 60.33 H new ATOM 0 HD12 ILE A 33 2.212 5.645 5.380 1.00 60.33 H new ATOM 0 HD13 ILE A 33 3.303 4.266 5.102 1.00 60.33 H new ATOM 555 N ASN A 34 1.873 2.137 9.804 1.00 31.52 N ATOM 556 CA ASN A 34 1.837 0.678 9.990 1.00 31.13 C ATOM 557 C ASN A 34 1.468 -0.047 8.683 1.00 44.14 C ATOM 558 O ASN A 34 0.289 -0.213 8.354 1.00 24.24 O ATOM 559 CB ASN A 34 0.855 0.313 11.115 1.00 45.55 C ATOM 560 CG ASN A 34 0.797 -1.180 11.395 1.00 72.11 C ATOM 561 OD1 ASN A 34 1.732 -1.922 11.109 1.00 24.12 O ATOM 562 ND2 ASN A 34 -0.295 -1.635 11.975 1.00 35.34 N ATOM 0 H ASN A 34 0.982 2.604 9.971 1.00 31.52 H new ATOM 0 HA ASN A 34 2.836 0.347 10.275 1.00 31.13 H new ATOM 0 HB2 ASN A 34 1.145 0.836 12.026 1.00 45.55 H new ATOM 0 HB3 ASN A 34 -0.141 0.666 10.848 1.00 45.55 H new ATOM 0 HD21 ASN A 34 -0.379 -2.627 12.198 1.00 35.34 H new ATOM 0 HD22 ASN A 34 -1.057 -0.995 12.201 1.00 35.34 H new ATOM 569 N LEU A 35 2.491 -0.472 7.939 1.00 3.52 N ATOM 570 CA LEU A 35 2.299 -1.176 6.663 1.00 50.30 C ATOM 571 C LEU A 35 1.901 -2.645 6.879 1.00 33.33 C ATOM 572 O LEU A 35 1.205 -3.234 6.050 1.00 14.21 O ATOM 573 CB LEU A 35 3.580 -1.103 5.815 1.00 10.41 C ATOM 574 CG LEU A 35 4.025 0.313 5.406 1.00 10.23 C ATOM 575 CD1 LEU A 35 5.336 0.260 4.623 1.00 23.35 C ATOM 576 CD2 LEU A 35 2.935 1.005 4.586 1.00 53.10 C ATOM 0 H LEU A 35 3.469 -0.341 8.198 1.00 3.52 H new ATOM 0 HA LEU A 35 1.485 -0.680 6.135 1.00 50.30 H new ATOM 0 HB2 LEU A 35 4.391 -1.573 6.372 1.00 10.41 H new ATOM 0 HB3 LEU A 35 3.430 -1.693 4.911 1.00 10.41 H new ATOM 0 HG LEU A 35 4.191 0.894 6.313 1.00 10.23 H new ATOM 0 HD11 LEU A 35 5.634 1.270 4.343 1.00 23.35 H new ATOM 0 HD12 LEU A 35 6.112 -0.188 5.243 1.00 23.35 H new ATOM 0 HD13 LEU A 35 5.199 -0.340 3.723 1.00 23.35 H new ATOM 0 HD21 LEU A 35 3.269 2.004 4.307 1.00 53.10 H new ATOM 0 HD22 LEU A 35 2.734 0.425 3.685 1.00 53.10 H new ATOM 0 HD23 LEU A 35 2.025 1.080 5.181 1.00 53.10 H new ATOM 588 N ARG A 36 2.344 -3.235 7.991 1.00 52.44 N ATOM 589 CA ARG A 36 2.003 -4.628 8.309 1.00 71.20 C ATOM 590 C ARG A 36 0.481 -4.839 8.325 1.00 34.53 C ATOM 591 O ARG A 36 -0.031 -5.766 7.704 1.00 11.42 O ATOM 592 CB ARG A 36 2.594 -5.048 9.664 1.00 3.25 C ATOM 593 CG ARG A 36 2.274 -6.496 10.037 1.00 22.15 C ATOM 594 CD ARG A 36 2.816 -6.880 11.409 1.00 51.12 C ATOM 595 NE ARG A 36 2.488 -8.262 11.743 1.00 24.41 N ATOM 596 CZ ARG A 36 2.084 -8.669 12.913 1.00 1.45 C ATOM 597 NH1 ARG A 36 1.969 -7.843 13.902 1.00 51.21 N ATOM 598 NH2 ARG A 36 1.783 -9.913 13.083 1.00 3.23 N ATOM 0 H ARG A 36 2.936 -2.776 8.684 1.00 52.44 H new ATOM 0 HA ARG A 36 2.436 -5.251 7.526 1.00 71.20 H new ATOM 0 HB2 ARG A 36 3.676 -4.917 9.638 1.00 3.25 H new ATOM 0 HB3 ARG A 36 2.211 -4.386 10.441 1.00 3.25 H new ATOM 0 HG2 ARG A 36 1.194 -6.641 10.023 1.00 22.15 H new ATOM 0 HG3 ARG A 36 2.695 -7.163 9.284 1.00 22.15 H new ATOM 0 HD2 ARG A 36 3.898 -6.747 11.425 1.00 51.12 H new ATOM 0 HD3 ARG A 36 2.402 -6.213 12.165 1.00 51.12 H new ATOM 0 HE ARG A 36 2.582 -8.961 11.006 1.00 24.41 H new ATOM 0 HH11 ARG A 36 2.196 -6.857 13.772 1.00 51.21 H new ATOM 0 HH12 ARG A 36 1.651 -8.178 14.812 1.00 51.21 H new ATOM 0 HH21 ARG A 36 1.862 -10.568 12.305 1.00 3.23 H new ATOM 0 HH22 ARG A 36 1.466 -10.241 13.995 1.00 3.23 H new ATOM 612 N LYS A 37 -0.232 -3.962 9.036 1.00 52.01 N ATOM 613 CA LYS A 37 -1.701 -4.018 9.107 1.00 23.34 C ATOM 614 C LYS A 37 -2.328 -4.024 7.703 1.00 72.12 C ATOM 615 O LYS A 37 -3.348 -4.669 7.468 1.00 12.51 O ATOM 616 CB LYS A 37 -2.216 -2.830 9.941 1.00 53.53 C ATOM 617 CG LYS A 37 -3.725 -2.795 10.186 1.00 44.10 C ATOM 618 CD LYS A 37 -4.477 -2.042 9.086 1.00 34.32 C ATOM 619 CE LYS A 37 -5.901 -1.714 9.512 1.00 21.53 C ATOM 620 NZ LYS A 37 -6.634 -0.927 8.483 1.00 51.12 N ATOM 0 H LYS A 37 0.183 -3.201 9.574 1.00 52.01 H new ATOM 0 HA LYS A 37 -1.997 -4.948 9.592 1.00 23.34 H new ATOM 0 HB2 LYS A 37 -1.710 -2.842 10.906 1.00 53.53 H new ATOM 0 HB3 LYS A 37 -1.926 -1.906 9.440 1.00 53.53 H new ATOM 0 HG2 LYS A 37 -4.104 -3.815 10.249 1.00 44.10 H new ATOM 0 HG3 LYS A 37 -3.923 -2.322 11.148 1.00 44.10 H new ATOM 0 HD2 LYS A 37 -3.946 -1.121 8.845 1.00 34.32 H new ATOM 0 HD3 LYS A 37 -4.497 -2.645 8.178 1.00 34.32 H new ATOM 0 HE2 LYS A 37 -6.441 -2.640 9.710 1.00 21.53 H new ATOM 0 HE3 LYS A 37 -5.878 -1.153 10.446 1.00 21.53 H new ATOM 0 HZ1 LYS A 37 -7.619 -1.256 8.432 1.00 51.12 H new ATOM 0 HZ2 LYS A 37 -6.618 0.081 8.740 1.00 51.12 H new ATOM 0 HZ3 LYS A 37 -6.177 -1.055 7.557 1.00 51.12 H new ATOM 634 N ILE A 38 -1.700 -3.306 6.778 1.00 64.45 N ATOM 635 CA ILE A 38 -2.140 -3.276 5.383 1.00 13.32 C ATOM 636 C ILE A 38 -2.022 -4.666 4.741 1.00 44.32 C ATOM 637 O ILE A 38 -2.961 -5.157 4.112 1.00 13.31 O ATOM 638 CB ILE A 38 -1.305 -2.261 4.564 1.00 51.35 C ATOM 639 CG1 ILE A 38 -1.385 -0.865 5.203 1.00 22.41 C ATOM 640 CG2 ILE A 38 -1.766 -2.221 3.108 1.00 11.44 C ATOM 641 CD1 ILE A 38 -2.797 -0.339 5.352 1.00 50.42 C ATOM 0 H ILE A 38 -0.879 -2.732 6.969 1.00 64.45 H new ATOM 0 HA ILE A 38 -3.185 -2.968 5.376 1.00 13.32 H new ATOM 0 HB ILE A 38 -0.265 -2.586 4.574 1.00 51.35 H new ATOM 0 HG12 ILE A 38 -0.915 -0.898 6.186 1.00 22.41 H new ATOM 0 HG13 ILE A 38 -0.809 -0.165 4.597 1.00 22.41 H new ATOM 0 HG21 ILE A 38 -1.163 -1.500 2.555 1.00 11.44 H new ATOM 0 HG22 ILE A 38 -1.650 -3.209 2.662 1.00 11.44 H new ATOM 0 HG23 ILE A 38 -2.814 -1.925 3.066 1.00 11.44 H new ATOM 0 HD11 ILE A 38 -2.771 0.650 5.810 1.00 50.42 H new ATOM 0 HD12 ILE A 38 -3.266 -0.272 4.370 1.00 50.42 H new ATOM 0 HD13 ILE A 38 -3.373 -1.016 5.983 1.00 50.42 H new ATOM 653 N ALA A 39 -0.860 -5.293 4.918 1.00 53.44 N ATOM 654 CA ALA A 39 -0.620 -6.649 4.418 1.00 52.35 C ATOM 655 C ALA A 39 -1.601 -7.657 5.036 1.00 13.11 C ATOM 656 O ALA A 39 -2.082 -8.565 4.356 1.00 21.22 O ATOM 657 CB ALA A 39 0.822 -7.067 4.699 1.00 53.53 C ATOM 0 H ALA A 39 -0.065 -4.882 5.407 1.00 53.44 H new ATOM 0 HA ALA A 39 -0.785 -6.644 3.341 1.00 52.35 H new ATOM 0 HB1 ALA A 39 0.988 -8.076 4.323 1.00 53.53 H new ATOM 0 HB2 ALA A 39 1.504 -6.378 4.202 1.00 53.53 H new ATOM 0 HB3 ALA A 39 1.004 -7.046 5.773 1.00 53.53 H new ATOM 663 N GLU A 40 -1.900 -7.483 6.324 1.00 75.55 N ATOM 664 CA GLU A 40 -2.834 -8.364 7.040 1.00 31.32 C ATOM 665 C GLU A 40 -4.219 -8.409 6.365 1.00 42.54 C ATOM 666 O GLU A 40 -4.934 -9.409 6.460 1.00 4.43 O ATOM 667 CB GLU A 40 -2.994 -7.911 8.502 1.00 34.15 C ATOM 668 CG GLU A 40 -1.712 -7.970 9.330 1.00 3.45 C ATOM 669 CD GLU A 40 -1.970 -7.740 10.812 1.00 52.22 C ATOM 670 OE1 GLU A 40 -2.588 -8.621 11.450 1.00 45.21 O ATOM 671 OE2 GLU A 40 -1.579 -6.675 11.348 1.00 41.21 O ATOM 0 H GLU A 40 -1.508 -6.737 6.899 1.00 75.55 H new ATOM 0 HA GLU A 40 -2.408 -9.367 7.011 1.00 31.32 H new ATOM 0 HB2 GLU A 40 -3.371 -6.888 8.512 1.00 34.15 H new ATOM 0 HB3 GLU A 40 -3.749 -8.534 8.981 1.00 34.15 H new ATOM 0 HG2 GLU A 40 -1.238 -8.942 9.193 1.00 3.45 H new ATOM 0 HG3 GLU A 40 -1.011 -7.219 8.965 1.00 3.45 H new ATOM 678 N LEU A 41 -4.581 -7.333 5.669 1.00 22.50 N ATOM 679 CA LEU A 41 -5.905 -7.211 5.039 1.00 75.34 C ATOM 680 C LEU A 41 -5.975 -7.911 3.668 1.00 34.31 C ATOM 681 O LEU A 41 -6.926 -7.704 2.913 1.00 70.21 O ATOM 682 CB LEU A 41 -6.264 -5.727 4.877 1.00 10.51 C ATOM 683 CG LEU A 41 -6.320 -4.916 6.180 1.00 35.01 C ATOM 684 CD1 LEU A 41 -6.606 -3.447 5.885 1.00 52.04 C ATOM 685 CD2 LEU A 41 -7.367 -5.489 7.133 1.00 12.42 C ATOM 0 H LEU A 41 -3.975 -6.525 5.523 1.00 22.50 H new ATOM 0 HA LEU A 41 -6.622 -7.707 5.694 1.00 75.34 H new ATOM 0 HB2 LEU A 41 -5.534 -5.265 4.212 1.00 10.51 H new ATOM 0 HB3 LEU A 41 -7.233 -5.657 4.384 1.00 10.51 H new ATOM 0 HG LEU A 41 -5.347 -4.986 6.666 1.00 35.01 H new ATOM 0 HD11 LEU A 41 -6.642 -2.888 6.820 1.00 52.04 H new ATOM 0 HD12 LEU A 41 -5.817 -3.043 5.251 1.00 52.04 H new ATOM 0 HD13 LEU A 41 -7.564 -3.359 5.373 1.00 52.04 H new ATOM 0 HD21 LEU A 41 -7.388 -4.898 8.049 1.00 12.42 H new ATOM 0 HD22 LEU A 41 -8.348 -5.457 6.658 1.00 12.42 H new ATOM 0 HD23 LEU A 41 -7.114 -6.522 7.374 1.00 12.42 H new ATOM 697 N MET A 42 -4.978 -8.738 3.348 1.00 21.31 N ATOM 698 CA MET A 42 -4.947 -9.448 2.060 1.00 3.22 C ATOM 699 C MET A 42 -5.352 -10.928 2.189 1.00 4.54 C ATOM 700 O MET A 42 -4.518 -11.786 2.500 1.00 41.11 O ATOM 701 CB MET A 42 -3.551 -9.350 1.435 1.00 12.24 C ATOM 702 CG MET A 42 -3.157 -7.936 1.038 1.00 14.33 C ATOM 703 SD MET A 42 -1.528 -7.869 0.268 1.00 31.15 S ATOM 704 CE MET A 42 -1.474 -6.153 -0.241 1.00 24.34 C ATOM 0 H MET A 42 -4.184 -8.935 3.957 1.00 21.31 H new ATOM 0 HA MET A 42 -5.680 -8.963 1.415 1.00 3.22 H new ATOM 0 HB2 MET A 42 -2.818 -9.737 2.143 1.00 12.24 H new ATOM 0 HB3 MET A 42 -3.512 -9.990 0.553 1.00 12.24 H new ATOM 0 HG2 MET A 42 -3.899 -7.535 0.348 1.00 14.33 H new ATOM 0 HG3 MET A 42 -3.165 -7.298 1.921 1.00 14.33 H new ATOM 0 HE1 MET A 42 -1.605 -6.090 -1.321 1.00 24.34 H new ATOM 0 HE2 MET A 42 -2.273 -5.601 0.254 1.00 24.34 H new ATOM 0 HE3 MET A 42 -0.511 -5.722 0.034 1.00 24.34 H new ATOM 714 N PRO A 43 -6.638 -11.254 1.943 1.00 52.05 N ATOM 715 CA PRO A 43 -7.107 -12.646 1.931 1.00 5.50 C ATOM 716 C PRO A 43 -6.738 -13.380 0.627 1.00 63.22 C ATOM 717 O PRO A 43 -7.491 -13.360 -0.350 1.00 54.41 O ATOM 718 CB PRO A 43 -8.628 -12.496 2.068 1.00 1.21 C ATOM 719 CG PRO A 43 -8.932 -11.187 1.419 1.00 23.24 C ATOM 720 CD PRO A 43 -7.740 -10.300 1.685 1.00 12.15 C ATOM 0 HA PRO A 43 -6.652 -13.245 2.719 1.00 5.50 H new ATOM 0 HB2 PRO A 43 -9.154 -13.315 1.577 1.00 1.21 H new ATOM 0 HB3 PRO A 43 -8.935 -12.502 3.114 1.00 1.21 H new ATOM 0 HG2 PRO A 43 -9.094 -11.311 0.348 1.00 23.24 H new ATOM 0 HG3 PRO A 43 -9.842 -10.750 1.830 1.00 23.24 H new ATOM 0 HD2 PRO A 43 -7.521 -9.658 0.832 1.00 12.15 H new ATOM 0 HD3 PRO A 43 -7.911 -9.646 2.540 1.00 12.15 H new ATOM 728 N GLY A 44 -5.562 -14.007 0.611 1.00 53.13 N ATOM 729 CA GLY A 44 -5.110 -14.748 -0.567 1.00 25.41 C ATOM 730 C GLY A 44 -4.779 -13.862 -1.766 1.00 71.01 C ATOM 731 O GLY A 44 -5.265 -14.098 -2.876 1.00 63.13 O ATOM 0 H GLY A 44 -4.909 -14.017 1.394 1.00 53.13 H new ATOM 0 HA2 GLY A 44 -4.226 -15.329 -0.302 1.00 25.41 H new ATOM 0 HA3 GLY A 44 -5.884 -15.459 -0.856 1.00 25.41 H new ATOM 735 N ALA A 45 -3.951 -12.843 -1.545 1.00 61.00 N ATOM 736 CA ALA A 45 -3.525 -11.937 -2.622 1.00 31.42 C ATOM 737 C ALA A 45 -2.260 -12.448 -3.332 1.00 64.30 C ATOM 738 O ALA A 45 -1.721 -13.501 -2.991 1.00 63.55 O ATOM 739 CB ALA A 45 -3.290 -10.533 -2.063 1.00 62.15 C ATOM 0 H ALA A 45 -3.559 -12.620 -0.630 1.00 61.00 H new ATOM 0 HA ALA A 45 -4.324 -11.902 -3.363 1.00 31.42 H new ATOM 0 HB1 ALA A 45 -2.975 -9.869 -2.868 1.00 62.15 H new ATOM 0 HB2 ALA A 45 -4.214 -10.157 -1.623 1.00 62.15 H new ATOM 0 HB3 ALA A 45 -2.514 -10.571 -1.299 1.00 62.15 H new ATOM 745 N SER A 46 -1.799 -11.696 -4.328 1.00 53.45 N ATOM 746 CA SER A 46 -0.571 -12.033 -5.069 1.00 45.22 C ATOM 747 C SER A 46 0.307 -10.788 -5.264 1.00 73.34 C ATOM 748 O SER A 46 -0.167 -9.661 -5.117 1.00 33.01 O ATOM 749 CB SER A 46 -0.917 -12.644 -6.437 1.00 3.24 C ATOM 750 OG SER A 46 0.255 -12.943 -7.187 1.00 34.31 O ATOM 0 H SER A 46 -2.256 -10.842 -4.648 1.00 53.45 H new ATOM 0 HA SER A 46 -0.016 -12.765 -4.483 1.00 45.22 H new ATOM 0 HB2 SER A 46 -1.500 -13.554 -6.293 1.00 3.24 H new ATOM 0 HB3 SER A 46 -1.542 -11.950 -6.999 1.00 3.24 H new ATOM 0 HG SER A 46 0.001 -13.331 -8.050 1.00 34.31 H new ATOM 756 N GLY A 47 1.579 -10.997 -5.612 1.00 21.34 N ATOM 757 CA GLY A 47 2.512 -9.880 -5.799 1.00 12.21 C ATOM 758 C GLY A 47 1.979 -8.795 -6.732 1.00 61.35 C ATOM 759 O GLY A 47 2.155 -7.600 -6.475 1.00 63.02 O ATOM 0 H GLY A 47 1.985 -11.919 -5.769 1.00 21.34 H new ATOM 0 HA2 GLY A 47 2.736 -9.437 -4.829 1.00 12.21 H new ATOM 0 HA3 GLY A 47 3.451 -10.263 -6.198 1.00 12.21 H new ATOM 763 N ALA A 48 1.321 -9.214 -7.812 1.00 71.15 N ATOM 764 CA ALA A 48 0.694 -8.280 -8.754 1.00 20.02 C ATOM 765 C ALA A 48 -0.394 -7.438 -8.070 1.00 74.32 C ATOM 766 O ALA A 48 -0.504 -6.232 -8.296 1.00 62.44 O ATOM 767 CB ALA A 48 0.099 -9.046 -9.925 1.00 63.22 C ATOM 0 H ALA A 48 1.207 -10.197 -8.059 1.00 71.15 H new ATOM 0 HA ALA A 48 1.465 -7.601 -9.118 1.00 20.02 H new ATOM 0 HB1 ALA A 48 -0.365 -8.346 -10.620 1.00 63.22 H new ATOM 0 HB2 ALA A 48 0.887 -9.597 -10.437 1.00 63.22 H new ATOM 0 HB3 ALA A 48 -0.653 -9.745 -9.558 1.00 63.22 H new ATOM 773 N GLU A 49 -1.193 -8.088 -7.228 1.00 51.43 N ATOM 774 CA GLU A 49 -2.269 -7.413 -6.500 1.00 32.12 C ATOM 775 C GLU A 49 -1.691 -6.390 -5.511 1.00 41.23 C ATOM 776 O GLU A 49 -2.218 -5.287 -5.350 1.00 72.23 O ATOM 777 CB GLU A 49 -3.128 -8.446 -5.751 1.00 23.20 C ATOM 778 CG GLU A 49 -3.491 -9.678 -6.580 1.00 4.25 C ATOM 779 CD GLU A 49 -4.217 -9.344 -7.875 1.00 73.44 C ATOM 780 OE1 GLU A 49 -5.453 -9.172 -7.839 1.00 21.20 O ATOM 781 OE2 GLU A 49 -3.558 -9.262 -8.937 1.00 22.21 O ATOM 0 H GLU A 49 -1.117 -9.086 -7.031 1.00 51.43 H new ATOM 0 HA GLU A 49 -2.896 -6.884 -7.218 1.00 32.12 H new ATOM 0 HB2 GLU A 49 -2.593 -8.768 -4.858 1.00 23.20 H new ATOM 0 HB3 GLU A 49 -4.046 -7.964 -5.416 1.00 23.20 H new ATOM 0 HG2 GLU A 49 -2.581 -10.230 -6.815 1.00 4.25 H new ATOM 0 HG3 GLU A 49 -4.118 -10.338 -5.981 1.00 4.25 H new ATOM 788 N VAL A 50 -0.589 -6.764 -4.861 1.00 10.15 N ATOM 789 CA VAL A 50 0.116 -5.868 -3.940 1.00 61.21 C ATOM 790 C VAL A 50 0.647 -4.627 -4.682 1.00 51.53 C ATOM 791 O VAL A 50 0.643 -3.513 -4.149 1.00 64.01 O ATOM 792 CB VAL A 50 1.293 -6.595 -3.240 1.00 45.44 C ATOM 793 CG1 VAL A 50 1.965 -5.685 -2.214 1.00 32.35 C ATOM 794 CG2 VAL A 50 0.817 -7.892 -2.582 1.00 4.12 C ATOM 0 H VAL A 50 -0.162 -7.686 -4.955 1.00 10.15 H new ATOM 0 HA VAL A 50 -0.601 -5.552 -3.182 1.00 61.21 H new ATOM 0 HB VAL A 50 2.031 -6.849 -4.001 1.00 45.44 H new ATOM 0 HG11 VAL A 50 2.787 -6.219 -1.737 1.00 32.35 H new ATOM 0 HG12 VAL A 50 2.351 -4.796 -2.713 1.00 32.35 H new ATOM 0 HG13 VAL A 50 1.238 -5.390 -1.458 1.00 32.35 H new ATOM 0 HG21 VAL A 50 1.660 -8.385 -2.097 1.00 4.12 H new ATOM 0 HG22 VAL A 50 0.053 -7.664 -1.838 1.00 4.12 H new ATOM 0 HG23 VAL A 50 0.398 -8.553 -3.341 1.00 4.12 H new ATOM 804 N LYS A 51 1.098 -4.830 -5.922 1.00 2.51 N ATOM 805 CA LYS A 51 1.518 -3.717 -6.782 1.00 5.44 C ATOM 806 C LYS A 51 0.316 -2.795 -7.043 1.00 21.32 C ATOM 807 O LYS A 51 0.441 -1.569 -7.032 1.00 30.10 O ATOM 808 CB LYS A 51 2.095 -4.245 -8.113 1.00 63.14 C ATOM 809 CG LYS A 51 3.163 -3.345 -8.750 1.00 25.23 C ATOM 810 CD LYS A 51 2.615 -2.003 -9.259 1.00 60.32 C ATOM 811 CE LYS A 51 1.915 -2.121 -10.615 1.00 53.14 C ATOM 812 NZ LYS A 51 0.671 -2.936 -10.565 1.00 23.41 N ATOM 0 H LYS A 51 1.182 -5.750 -6.353 1.00 2.51 H new ATOM 0 HA LYS A 51 2.302 -3.152 -6.278 1.00 5.44 H new ATOM 0 HB2 LYS A 51 2.526 -5.231 -7.941 1.00 63.14 H new ATOM 0 HB3 LYS A 51 1.277 -4.374 -8.822 1.00 63.14 H new ATOM 0 HG2 LYS A 51 3.948 -3.153 -8.018 1.00 25.23 H new ATOM 0 HG3 LYS A 51 3.626 -3.877 -9.581 1.00 25.23 H new ATOM 0 HD2 LYS A 51 1.914 -1.602 -8.527 1.00 60.32 H new ATOM 0 HD3 LYS A 51 3.434 -1.289 -9.340 1.00 60.32 H new ATOM 0 HE2 LYS A 51 1.673 -1.123 -10.979 1.00 53.14 H new ATOM 0 HE3 LYS A 51 2.603 -2.565 -11.334 1.00 53.14 H new ATOM 0 HZ1 LYS A 51 0.023 -2.628 -11.318 1.00 23.41 H new ATOM 0 HZ2 LYS A 51 0.908 -3.939 -10.701 1.00 23.41 H new ATOM 0 HZ3 LYS A 51 0.211 -2.811 -9.641 1.00 23.41 H new ATOM 826 N GLY A 52 -0.847 -3.405 -7.276 1.00 14.04 N ATOM 827 CA GLY A 52 -2.086 -2.646 -7.424 1.00 64.15 C ATOM 828 C GLY A 52 -2.392 -1.781 -6.206 1.00 42.15 C ATOM 829 O GLY A 52 -2.776 -0.621 -6.342 1.00 11.10 O ATOM 0 H GLY A 52 -0.955 -4.415 -7.366 1.00 14.04 H new ATOM 0 HA2 GLY A 52 -2.016 -2.011 -8.307 1.00 64.15 H new ATOM 0 HA3 GLY A 52 -2.913 -3.336 -7.592 1.00 64.15 H new ATOM 833 N VAL A 53 -2.212 -2.349 -5.013 1.00 34.24 N ATOM 834 CA VAL A 53 -2.376 -1.601 -3.760 1.00 50.03 C ATOM 835 C VAL A 53 -1.473 -0.358 -3.732 1.00 44.12 C ATOM 836 O VAL A 53 -1.919 0.742 -3.406 1.00 5.33 O ATOM 837 CB VAL A 53 -2.060 -2.496 -2.534 1.00 13.14 C ATOM 838 CG1 VAL A 53 -2.145 -1.700 -1.232 1.00 44.44 C ATOM 839 CG2 VAL A 53 -2.998 -3.702 -2.497 1.00 21.11 C ATOM 0 H VAL A 53 -1.952 -3.327 -4.885 1.00 34.24 H new ATOM 0 HA VAL A 53 -3.417 -1.281 -3.709 1.00 50.03 H new ATOM 0 HB VAL A 53 -1.037 -2.858 -2.634 1.00 13.14 H new ATOM 0 HG11 VAL A 53 -1.918 -2.354 -0.390 1.00 44.44 H new ATOM 0 HG12 VAL A 53 -1.426 -0.881 -1.259 1.00 44.44 H new ATOM 0 HG13 VAL A 53 -3.151 -1.296 -1.117 1.00 44.44 H new ATOM 0 HG21 VAL A 53 -2.762 -4.320 -1.630 1.00 21.11 H new ATOM 0 HG22 VAL A 53 -4.030 -3.358 -2.428 1.00 21.11 H new ATOM 0 HG23 VAL A 53 -2.871 -4.289 -3.406 1.00 21.11 H new ATOM 849 N CYS A 54 -0.203 -0.543 -4.087 1.00 64.42 N ATOM 850 CA CYS A 54 0.750 0.572 -4.169 1.00 43.44 C ATOM 851 C CYS A 54 0.301 1.599 -5.224 1.00 75.13 C ATOM 852 O CYS A 54 0.464 2.809 -5.047 1.00 24.24 O ATOM 853 CB CYS A 54 2.152 0.046 -4.515 1.00 41.05 C ATOM 854 SG CYS A 54 2.782 -1.209 -3.371 1.00 13.33 S ATOM 0 H CYS A 54 0.194 -1.452 -4.323 1.00 64.42 H new ATOM 0 HA CYS A 54 0.782 1.065 -3.198 1.00 43.44 H new ATOM 0 HB2 CYS A 54 2.132 -0.374 -5.521 1.00 41.05 H new ATOM 0 HB3 CYS A 54 2.847 0.885 -4.534 1.00 41.05 H new ATOM 0 HG CYS A 54 2.069 -2.291 -3.478 1.00 13.33 H new ATOM 860 N THR A 55 -0.284 1.101 -6.314 1.00 0.42 N ATOM 861 CA THR A 55 -0.758 1.956 -7.413 1.00 60.33 C ATOM 862 C THR A 55 -1.929 2.847 -6.967 1.00 53.32 C ATOM 863 O THR A 55 -1.893 4.070 -7.137 1.00 13.24 O ATOM 864 CB THR A 55 -1.204 1.104 -8.632 1.00 23.20 C ATOM 865 OG1 THR A 55 -0.130 0.249 -9.060 1.00 62.44 O ATOM 866 CG2 THR A 55 -1.646 1.986 -9.800 1.00 33.34 C ATOM 0 H THR A 55 -0.443 0.105 -6.463 1.00 0.42 H new ATOM 0 HA THR A 55 0.079 2.590 -7.704 1.00 60.33 H new ATOM 0 HB THR A 55 -2.054 0.498 -8.317 1.00 23.20 H new ATOM 0 HG1 THR A 55 0.068 -0.404 -8.357 1.00 62.44 H new ATOM 0 HG21 THR A 55 -1.951 1.357 -10.636 1.00 33.34 H new ATOM 0 HG22 THR A 55 -2.485 2.608 -9.489 1.00 33.34 H new ATOM 0 HG23 THR A 55 -0.817 2.623 -10.109 1.00 33.34 H new ATOM 874 N GLU A 56 -2.960 2.228 -6.390 1.00 53.12 N ATOM 875 CA GLU A 56 -4.135 2.952 -5.892 1.00 72.02 C ATOM 876 C GLU A 56 -3.765 3.919 -4.757 1.00 11.33 C ATOM 877 O GLU A 56 -4.186 5.077 -4.756 1.00 32.31 O ATOM 878 CB GLU A 56 -5.203 1.961 -5.405 1.00 5.04 C ATOM 879 CG GLU A 56 -5.831 1.125 -6.513 1.00 14.24 C ATOM 880 CD GLU A 56 -6.625 1.967 -7.500 1.00 25.11 C ATOM 881 OE1 GLU A 56 -7.661 2.539 -7.098 1.00 72.02 O ATOM 882 OE2 GLU A 56 -6.224 2.056 -8.680 1.00 32.53 O ATOM 0 H GLU A 56 -3.006 1.218 -6.254 1.00 53.12 H new ATOM 0 HA GLU A 56 -4.535 3.539 -6.719 1.00 72.02 H new ATOM 0 HB2 GLU A 56 -4.754 1.292 -4.671 1.00 5.04 H new ATOM 0 HB3 GLU A 56 -5.990 2.515 -4.893 1.00 5.04 H new ATOM 0 HG2 GLU A 56 -5.047 0.588 -7.047 1.00 14.24 H new ATOM 0 HG3 GLU A 56 -6.487 0.375 -6.071 1.00 14.24 H new ATOM 889 N ALA A 57 -2.972 3.438 -3.797 1.00 31.41 N ATOM 890 CA ALA A 57 -2.517 4.270 -2.672 1.00 5.10 C ATOM 891 C ALA A 57 -1.867 5.572 -3.164 1.00 64.30 C ATOM 892 O ALA A 57 -2.148 6.656 -2.649 1.00 12.12 O ATOM 893 CB ALA A 57 -1.543 3.486 -1.800 1.00 22.31 C ATOM 0 H ALA A 57 -2.630 2.477 -3.773 1.00 31.41 H new ATOM 0 HA ALA A 57 -3.390 4.539 -2.077 1.00 5.10 H new ATOM 0 HB1 ALA A 57 -1.213 4.111 -0.971 1.00 22.31 H new ATOM 0 HB2 ALA A 57 -2.039 2.597 -1.409 1.00 22.31 H new ATOM 0 HB3 ALA A 57 -0.680 3.188 -2.396 1.00 22.31 H new ATOM 899 N GLY A 58 -1.003 5.457 -4.173 1.00 1.14 N ATOM 900 CA GLY A 58 -0.399 6.633 -4.780 1.00 34.42 C ATOM 901 C GLY A 58 -1.433 7.572 -5.397 1.00 61.30 C ATOM 902 O GLY A 58 -1.347 8.788 -5.246 1.00 5.31 O ATOM 0 H GLY A 58 -0.711 4.569 -4.581 1.00 1.14 H new ATOM 0 HA2 GLY A 58 0.173 7.174 -4.026 1.00 34.42 H new ATOM 0 HA3 GLY A 58 0.306 6.319 -5.550 1.00 34.42 H new ATOM 906 N MET A 59 -2.422 7.001 -6.089 1.00 2.40 N ATOM 907 CA MET A 59 -3.499 7.790 -6.705 1.00 42.53 C ATOM 908 C MET A 59 -4.279 8.597 -5.656 1.00 74.32 C ATOM 909 O MET A 59 -4.560 9.782 -5.854 1.00 23.22 O ATOM 910 CB MET A 59 -4.464 6.875 -7.474 1.00 33.55 C ATOM 911 CG MET A 59 -3.851 6.175 -8.684 1.00 41.44 C ATOM 912 SD MET A 59 -3.980 7.135 -10.217 1.00 21.13 S ATOM 913 CE MET A 59 -2.878 8.513 -9.900 1.00 31.24 C ATOM 0 H MET A 59 -2.502 5.995 -6.238 1.00 2.40 H new ATOM 0 HA MET A 59 -3.034 8.490 -7.399 1.00 42.53 H new ATOM 0 HB2 MET A 59 -4.849 6.119 -6.790 1.00 33.55 H new ATOM 0 HB3 MET A 59 -5.317 7.467 -7.807 1.00 33.55 H new ATOM 0 HG2 MET A 59 -2.800 5.969 -8.481 1.00 41.44 H new ATOM 0 HG3 MET A 59 -4.343 5.213 -8.825 1.00 41.44 H new ATOM 0 HE1 MET A 59 -2.545 8.938 -10.847 1.00 31.24 H new ATOM 0 HE2 MET A 59 -3.404 9.275 -9.326 1.00 31.24 H new ATOM 0 HE3 MET A 59 -2.014 8.165 -9.334 1.00 31.24 H new ATOM 923 N TYR A 60 -4.626 7.947 -4.544 1.00 21.44 N ATOM 924 CA TYR A 60 -5.356 8.608 -3.454 1.00 62.24 C ATOM 925 C TYR A 60 -4.535 9.762 -2.864 1.00 5.02 C ATOM 926 O TYR A 60 -5.047 10.863 -2.650 1.00 50.25 O ATOM 927 CB TYR A 60 -5.719 7.592 -2.361 1.00 31.24 C ATOM 928 CG TYR A 60 -6.504 6.395 -2.876 1.00 23.42 C ATOM 929 CD1 TYR A 60 -7.365 6.514 -3.965 1.00 12.14 C ATOM 930 CD2 TYR A 60 -6.375 5.142 -2.281 1.00 1.22 C ATOM 931 CE1 TYR A 60 -8.070 5.425 -4.442 1.00 64.34 C ATOM 932 CE2 TYR A 60 -7.078 4.051 -2.756 1.00 11.14 C ATOM 933 CZ TYR A 60 -7.924 4.197 -3.834 1.00 11.51 C ATOM 934 OH TYR A 60 -8.621 3.109 -4.313 1.00 75.54 O ATOM 0 H TYR A 60 -4.415 6.964 -4.372 1.00 21.44 H new ATOM 0 HA TYR A 60 -6.277 9.024 -3.864 1.00 62.24 H new ATOM 0 HB2 TYR A 60 -4.803 7.238 -1.887 1.00 31.24 H new ATOM 0 HB3 TYR A 60 -6.303 8.094 -1.590 1.00 31.24 H new ATOM 0 HD1 TYR A 60 -7.484 7.474 -4.445 1.00 12.14 H new ATOM 0 HD2 TYR A 60 -5.715 5.021 -1.435 1.00 1.22 H new ATOM 0 HE1 TYR A 60 -8.733 5.536 -5.288 1.00 64.34 H new ATOM 0 HE2 TYR A 60 -6.965 3.086 -2.284 1.00 11.14 H new ATOM 0 HH TYR A 60 -8.324 2.905 -5.224 1.00 75.54 H new ATOM 944 N ALA A 61 -3.251 9.509 -2.632 1.00 40.25 N ATOM 945 CA ALA A 61 -2.336 10.540 -2.146 1.00 24.43 C ATOM 946 C ALA A 61 -2.258 11.731 -3.120 1.00 45.53 C ATOM 947 O ALA A 61 -2.474 12.880 -2.730 1.00 13.42 O ATOM 948 CB ALA A 61 -0.949 9.947 -1.921 1.00 5.33 C ATOM 0 H ALA A 61 -2.818 8.596 -2.773 1.00 40.25 H new ATOM 0 HA ALA A 61 -2.724 10.913 -1.198 1.00 24.43 H new ATOM 0 HB1 ALA A 61 -0.276 10.724 -1.559 1.00 5.33 H new ATOM 0 HB2 ALA A 61 -1.011 9.147 -1.183 1.00 5.33 H new ATOM 0 HB3 ALA A 61 -0.568 9.545 -2.860 1.00 5.33 H new ATOM 954 N LEU A 62 -1.971 11.445 -4.393 1.00 42.43 N ATOM 955 CA LEU A 62 -1.811 12.490 -5.414 1.00 74.43 C ATOM 956 C LEU A 62 -3.062 13.375 -5.549 1.00 73.30 C ATOM 957 O LEU A 62 -2.964 14.604 -5.531 1.00 1.34 O ATOM 958 CB LEU A 62 -1.471 11.861 -6.775 1.00 72.04 C ATOM 959 CG LEU A 62 -0.114 11.137 -6.849 1.00 15.43 C ATOM 960 CD1 LEU A 62 0.100 10.531 -8.235 1.00 41.30 C ATOM 961 CD2 LEU A 62 1.026 12.089 -6.487 1.00 64.33 C ATOM 0 H LEU A 62 -1.844 10.496 -4.744 1.00 42.43 H new ATOM 0 HA LEU A 62 -0.990 13.128 -5.088 1.00 74.43 H new ATOM 0 HB2 LEU A 62 -2.257 11.151 -7.034 1.00 72.04 H new ATOM 0 HB3 LEU A 62 -1.487 12.645 -7.532 1.00 72.04 H new ATOM 0 HG LEU A 62 -0.119 10.324 -6.123 1.00 15.43 H new ATOM 0 HD11 LEU A 62 1.065 10.024 -8.266 1.00 41.30 H new ATOM 0 HD12 LEU A 62 -0.693 9.814 -8.445 1.00 41.30 H new ATOM 0 HD13 LEU A 62 0.082 11.322 -8.985 1.00 41.30 H new ATOM 0 HD21 LEU A 62 1.976 11.558 -6.545 1.00 64.33 H new ATOM 0 HD22 LEU A 62 1.035 12.927 -7.184 1.00 64.33 H new ATOM 0 HD23 LEU A 62 0.881 12.462 -5.473 1.00 64.33 H new ATOM 973 N ARG A 63 -4.235 12.753 -5.681 1.00 34.53 N ATOM 974 CA ARG A 63 -5.490 13.504 -5.850 1.00 4.32 C ATOM 975 C ARG A 63 -5.783 14.402 -4.633 1.00 43.42 C ATOM 976 O ARG A 63 -6.349 15.487 -4.769 1.00 72.11 O ATOM 977 CB ARG A 63 -6.665 12.541 -6.092 1.00 61.43 C ATOM 978 CG ARG A 63 -6.996 11.648 -4.896 1.00 64.23 C ATOM 979 CD ARG A 63 -8.173 10.720 -5.174 1.00 73.51 C ATOM 980 NE ARG A 63 -7.887 9.763 -6.243 1.00 0.35 N ATOM 981 CZ ARG A 63 -8.618 8.711 -6.495 1.00 70.24 C ATOM 982 NH1 ARG A 63 -9.657 8.438 -5.766 1.00 12.03 N ATOM 983 NH2 ARG A 63 -8.300 7.930 -7.471 1.00 61.42 N ATOM 0 H ARG A 63 -4.347 11.739 -5.675 1.00 34.53 H new ATOM 0 HA ARG A 63 -5.372 14.149 -6.721 1.00 4.32 H new ATOM 0 HB2 ARG A 63 -7.549 13.122 -6.354 1.00 61.43 H new ATOM 0 HB3 ARG A 63 -6.433 11.910 -6.950 1.00 61.43 H new ATOM 0 HG2 ARG A 63 -6.120 11.053 -4.637 1.00 64.23 H new ATOM 0 HG3 ARG A 63 -7.225 12.272 -4.032 1.00 64.23 H new ATOM 0 HD2 ARG A 63 -8.428 10.178 -4.263 1.00 73.51 H new ATOM 0 HD3 ARG A 63 -9.045 11.315 -5.446 1.00 73.51 H new ATOM 0 HE ARG A 63 -7.067 9.928 -6.827 1.00 0.35 H new ATOM 0 HH11 ARG A 63 -9.909 9.048 -4.988 1.00 12.03 H new ATOM 0 HH12 ARG A 63 -10.222 7.614 -5.971 1.00 12.03 H new ATOM 0 HH21 ARG A 63 -7.480 8.135 -8.042 1.00 61.42 H new ATOM 0 HH22 ARG A 63 -8.868 7.107 -7.672 1.00 61.42 H new ATOM 997 N GLU A 64 -5.389 13.944 -3.445 1.00 3.12 N ATOM 998 CA GLU A 64 -5.607 14.700 -2.206 1.00 65.22 C ATOM 999 C GLU A 64 -4.381 15.552 -1.824 1.00 1.22 C ATOM 1000 O GLU A 64 -4.241 15.984 -0.677 1.00 53.34 O ATOM 1001 CB GLU A 64 -5.991 13.745 -1.067 1.00 33.43 C ATOM 1002 CG GLU A 64 -7.315 13.023 -1.314 1.00 1.24 C ATOM 1003 CD GLU A 64 -7.796 12.232 -0.108 1.00 60.03 C ATOM 1004 OE1 GLU A 64 -8.243 12.863 0.875 1.00 4.42 O ATOM 1005 OE2 GLU A 64 -7.753 10.986 -0.143 1.00 24.55 O ATOM 0 H GLU A 64 -4.915 13.050 -3.312 1.00 3.12 H new ATOM 0 HA GLU A 64 -6.430 15.393 -2.379 1.00 65.22 H new ATOM 0 HB2 GLU A 64 -5.200 13.007 -0.937 1.00 33.43 H new ATOM 0 HB3 GLU A 64 -6.058 14.307 -0.136 1.00 33.43 H new ATOM 0 HG2 GLU A 64 -8.075 13.754 -1.588 1.00 1.24 H new ATOM 0 HG3 GLU A 64 -7.201 12.348 -2.162 1.00 1.24 H new ATOM 1012 N ARG A 65 -3.505 15.798 -2.806 1.00 33.40 N ATOM 1013 CA ARG A 65 -2.340 16.689 -2.644 1.00 73.01 C ATOM 1014 C ARG A 65 -1.378 16.201 -1.540 1.00 3.34 C ATOM 1015 O ARG A 65 -0.591 16.981 -0.993 1.00 10.41 O ATOM 1016 CB ARG A 65 -2.789 18.136 -2.345 1.00 2.25 C ATOM 1017 CG ARG A 65 -3.608 18.804 -3.456 1.00 34.51 C ATOM 1018 CD ARG A 65 -5.043 18.287 -3.515 1.00 15.31 C ATOM 1019 NE ARG A 65 -5.854 18.997 -4.499 1.00 20.03 N ATOM 1020 CZ ARG A 65 -7.150 18.871 -4.608 1.00 42.52 C ATOM 1021 NH1 ARG A 65 -7.806 18.083 -3.817 1.00 43.42 N ATOM 1022 NH2 ARG A 65 -7.789 19.542 -5.507 1.00 3.20 N ATOM 0 H ARG A 65 -3.580 15.387 -3.737 1.00 33.40 H new ATOM 0 HA ARG A 65 -1.799 16.669 -3.590 1.00 73.01 H new ATOM 0 HB2 ARG A 65 -3.380 18.135 -1.429 1.00 2.25 H new ATOM 0 HB3 ARG A 65 -1.904 18.742 -2.152 1.00 2.25 H new ATOM 0 HG2 ARG A 65 -3.620 19.882 -3.296 1.00 34.51 H new ATOM 0 HG3 ARG A 65 -3.122 18.629 -4.416 1.00 34.51 H new ATOM 0 HD2 ARG A 65 -5.033 17.224 -3.756 1.00 15.31 H new ATOM 0 HD3 ARG A 65 -5.502 18.386 -2.531 1.00 15.31 H new ATOM 0 HE ARG A 65 -5.379 19.631 -5.142 1.00 20.03 H new ATOM 0 HH11 ARG A 65 -7.311 17.553 -3.100 1.00 43.42 H new ATOM 0 HH12 ARG A 65 -8.818 17.992 -3.911 1.00 43.42 H new ATOM 0 HH21 ARG A 65 -7.282 20.170 -6.131 1.00 3.20 H new ATOM 0 HH22 ARG A 65 -8.801 19.444 -5.593 1.00 3.20 H new ATOM 1036 N ARG A 66 -1.436 14.910 -1.232 1.00 35.43 N ATOM 1037 CA ARG A 66 -0.572 14.314 -0.208 1.00 13.13 C ATOM 1038 C ARG A 66 0.793 13.912 -0.789 1.00 60.42 C ATOM 1039 O ARG A 66 0.885 13.015 -1.627 1.00 52.41 O ATOM 1040 CB ARG A 66 -1.252 13.085 0.411 1.00 70.33 C ATOM 1041 CG ARG A 66 -2.587 13.392 1.081 1.00 50.24 C ATOM 1042 CD ARG A 66 -3.278 12.126 1.584 1.00 31.42 C ATOM 1043 NE ARG A 66 -4.532 12.428 2.271 1.00 15.34 N ATOM 1044 CZ ARG A 66 -5.373 11.530 2.706 1.00 21.32 C ATOM 1045 NH1 ARG A 66 -5.164 10.266 2.509 1.00 23.32 N ATOM 1046 NH2 ARG A 66 -6.443 11.906 3.324 1.00 33.15 N ATOM 0 H ARG A 66 -2.074 14.250 -1.677 1.00 35.43 H new ATOM 0 HA ARG A 66 -0.407 15.066 0.564 1.00 13.13 H new ATOM 0 HB2 ARG A 66 -1.410 12.338 -0.367 1.00 70.33 H new ATOM 0 HB3 ARG A 66 -0.581 12.642 1.146 1.00 70.33 H new ATOM 0 HG2 ARG A 66 -2.425 14.073 1.916 1.00 50.24 H new ATOM 0 HG3 ARG A 66 -3.239 13.904 0.373 1.00 50.24 H new ATOM 0 HD2 ARG A 66 -3.475 11.461 0.743 1.00 31.42 H new ATOM 0 HD3 ARG A 66 -2.611 11.593 2.262 1.00 31.42 H new ATOM 0 HE ARG A 66 -4.766 13.409 2.421 1.00 15.34 H new ATOM 0 HH11 ARG A 66 -4.331 9.959 2.007 1.00 23.32 H new ATOM 0 HH12 ARG A 66 -5.832 9.578 2.856 1.00 23.32 H new ATOM 0 HH21 ARG A 66 -6.626 12.899 3.469 1.00 33.15 H new ATOM 0 HH22 ARG A 66 -7.105 11.210 3.667 1.00 33.15 H new ATOM 1060 N VAL A 67 1.848 14.583 -0.338 1.00 40.22 N ATOM 1061 CA VAL A 67 3.215 14.246 -0.749 1.00 14.40 C ATOM 1062 C VAL A 67 3.676 12.953 -0.059 1.00 63.35 C ATOM 1063 O VAL A 67 4.306 12.088 -0.671 1.00 24.32 O ATOM 1064 CB VAL A 67 4.200 15.393 -0.402 1.00 52.13 C ATOM 1065 CG1 VAL A 67 5.620 15.056 -0.852 1.00 13.44 C ATOM 1066 CG2 VAL A 67 3.727 16.711 -1.020 1.00 44.33 C ATOM 0 H VAL A 67 1.787 15.365 0.314 1.00 40.22 H new ATOM 0 HA VAL A 67 3.212 14.101 -1.829 1.00 14.40 H new ATOM 0 HB VAL A 67 4.217 15.509 0.682 1.00 52.13 H new ATOM 0 HG11 VAL A 67 6.288 15.878 -0.595 1.00 13.44 H new ATOM 0 HG12 VAL A 67 5.954 14.147 -0.351 1.00 13.44 H new ATOM 0 HG13 VAL A 67 5.633 14.901 -1.931 1.00 13.44 H new ATOM 0 HG21 VAL A 67 4.430 17.505 -0.766 1.00 44.33 H new ATOM 0 HG22 VAL A 67 3.674 16.606 -2.104 1.00 44.33 H new ATOM 0 HG23 VAL A 67 2.740 16.962 -0.631 1.00 44.33 H new ATOM 1076 N HIS A 68 3.345 12.839 1.223 1.00 41.33 N ATOM 1077 CA HIS A 68 3.661 11.652 2.019 1.00 5.35 C ATOM 1078 C HIS A 68 2.406 10.797 2.238 1.00 12.20 C ATOM 1079 O HIS A 68 1.441 11.243 2.864 1.00 43.31 O ATOM 1080 CB HIS A 68 4.262 12.070 3.368 1.00 42.42 C ATOM 1081 CG HIS A 68 5.550 12.818 3.232 1.00 21.34 C ATOM 1082 ND1 HIS A 68 5.614 14.180 3.035 1.00 14.23 N ATOM 1083 CD2 HIS A 68 6.831 12.384 3.245 1.00 42.51 C ATOM 1084 CE1 HIS A 68 6.873 14.551 2.931 1.00 34.24 C ATOM 1085 NE2 HIS A 68 7.631 13.482 3.055 1.00 5.10 N ATOM 0 H HIS A 68 2.850 13.565 1.742 1.00 41.33 H new ATOM 0 HA HIS A 68 4.392 11.053 1.475 1.00 5.35 H new ATOM 0 HB2 HIS A 68 3.543 12.691 3.902 1.00 42.42 H new ATOM 0 HB3 HIS A 68 4.428 11.181 3.976 1.00 42.42 H new ATOM 0 HD2 HIS A 68 7.162 11.365 3.380 1.00 42.51 H new ATOM 0 HE1 HIS A 68 7.224 15.560 2.771 1.00 34.24 H new ATOM 0 HE2 HIS A 68 8.650 13.472 3.016 1.00 5.10 H new ATOM 1094 N VAL A 69 2.431 9.573 1.717 1.00 12.05 N ATOM 1095 CA VAL A 69 1.281 8.665 1.788 1.00 14.34 C ATOM 1096 C VAL A 69 1.077 8.125 3.216 1.00 52.05 C ATOM 1097 O VAL A 69 2.044 7.885 3.946 1.00 53.12 O ATOM 1098 CB VAL A 69 1.455 7.474 0.809 1.00 2.51 C ATOM 1099 CG1 VAL A 69 0.184 6.627 0.738 1.00 54.42 C ATOM 1100 CG2 VAL A 69 1.858 7.970 -0.582 1.00 1.30 C ATOM 0 H VAL A 69 3.241 9.181 1.236 1.00 12.05 H new ATOM 0 HA VAL A 69 0.401 9.241 1.502 1.00 14.34 H new ATOM 0 HB VAL A 69 2.256 6.841 1.191 1.00 2.51 H new ATOM 0 HG11 VAL A 69 0.336 5.800 0.044 1.00 54.42 H new ATOM 0 HG12 VAL A 69 -0.046 6.233 1.728 1.00 54.42 H new ATOM 0 HG13 VAL A 69 -0.645 7.244 0.391 1.00 54.42 H new ATOM 0 HG21 VAL A 69 1.975 7.118 -1.252 1.00 1.30 H new ATOM 0 HG22 VAL A 69 1.085 8.634 -0.970 1.00 1.30 H new ATOM 0 HG23 VAL A 69 2.802 8.512 -0.516 1.00 1.30 H new ATOM 1110 N THR A 70 -0.186 7.939 3.608 1.00 11.41 N ATOM 1111 CA THR A 70 -0.519 7.442 4.952 1.00 71.42 C ATOM 1112 C THR A 70 -1.157 6.048 4.891 1.00 75.41 C ATOM 1113 O THR A 70 -1.538 5.570 3.822 1.00 15.50 O ATOM 1114 CB THR A 70 -1.483 8.400 5.704 1.00 10.24 C ATOM 1115 OG1 THR A 70 -2.771 8.434 5.062 1.00 73.02 O ATOM 1116 CG2 THR A 70 -0.910 9.815 5.772 1.00 34.31 C ATOM 0 H THR A 70 -0.996 8.124 3.017 1.00 11.41 H new ATOM 0 HA THR A 70 0.423 7.388 5.498 1.00 71.42 H new ATOM 0 HB THR A 70 -1.599 8.019 6.719 1.00 10.24 H new ATOM 0 HG1 THR A 70 -2.657 8.323 4.095 1.00 73.02 H new ATOM 0 HG21 THR A 70 -1.606 10.464 6.304 1.00 34.31 H new ATOM 0 HG22 THR A 70 0.044 9.796 6.299 1.00 34.31 H new ATOM 0 HG23 THR A 70 -0.759 10.195 4.762 1.00 34.31 H new ATOM 1124 N GLN A 71 -1.278 5.403 6.049 1.00 44.42 N ATOM 1125 CA GLN A 71 -1.836 4.049 6.133 1.00 75.51 C ATOM 1126 C GLN A 71 -3.252 3.977 5.526 1.00 15.12 C ATOM 1127 O GLN A 71 -3.611 2.992 4.875 1.00 0.01 O ATOM 1128 CB GLN A 71 -1.876 3.593 7.597 1.00 61.22 C ATOM 1129 CG GLN A 71 -2.231 2.122 7.775 1.00 74.21 C ATOM 1130 CD GLN A 71 -2.492 1.748 9.220 1.00 21.45 C ATOM 1131 OE1 GLN A 71 -2.987 2.551 10.003 1.00 74.13 O ATOM 1132 NE2 GLN A 71 -2.146 0.535 9.590 1.00 34.01 N ATOM 0 H GLN A 71 -0.997 5.795 6.947 1.00 44.42 H new ATOM 0 HA GLN A 71 -1.191 3.386 5.557 1.00 75.51 H new ATOM 0 HB2 GLN A 71 -0.903 3.780 8.052 1.00 61.22 H new ATOM 0 HB3 GLN A 71 -2.603 4.200 8.137 1.00 61.22 H new ATOM 0 HG2 GLN A 71 -3.115 1.893 7.180 1.00 74.21 H new ATOM 0 HG3 GLN A 71 -1.418 1.508 7.387 1.00 74.21 H new ATOM 0 HE21 GLN A 71 -1.737 -0.108 8.912 1.00 34.01 H new ATOM 0 HE22 GLN A 71 -2.287 0.236 10.555 1.00 34.01 H new ATOM 1141 N GLU A 72 -4.040 5.034 5.738 1.00 10.23 N ATOM 1142 CA GLU A 72 -5.414 5.108 5.223 1.00 61.33 C ATOM 1143 C GLU A 72 -5.474 4.870 3.704 1.00 44.21 C ATOM 1144 O GLU A 72 -6.366 4.177 3.210 1.00 15.34 O ATOM 1145 CB GLU A 72 -6.031 6.477 5.558 1.00 71.32 C ATOM 1146 CG GLU A 72 -6.187 6.738 7.056 1.00 0.23 C ATOM 1147 CD GLU A 72 -6.806 8.096 7.356 1.00 11.31 C ATOM 1148 OE1 GLU A 72 -8.027 8.261 7.139 1.00 23.34 O ATOM 1149 OE2 GLU A 72 -6.079 9.007 7.808 1.00 2.23 O ATOM 0 H GLU A 72 -3.749 5.857 6.266 1.00 10.23 H new ATOM 0 HA GLU A 72 -5.986 4.317 5.707 1.00 61.33 H new ATOM 0 HB2 GLU A 72 -5.408 7.260 5.126 1.00 71.32 H new ATOM 0 HB3 GLU A 72 -7.009 6.549 5.083 1.00 71.32 H new ATOM 0 HG2 GLU A 72 -6.807 5.956 7.494 1.00 0.23 H new ATOM 0 HG3 GLU A 72 -5.210 6.675 7.535 1.00 0.23 H new ATOM 1156 N ASP A 73 -4.520 5.440 2.971 1.00 53.25 N ATOM 1157 CA ASP A 73 -4.478 5.301 1.512 1.00 62.20 C ATOM 1158 C ASP A 73 -4.234 3.836 1.100 1.00 23.45 C ATOM 1159 O ASP A 73 -4.876 3.317 0.182 1.00 62.13 O ATOM 1160 CB ASP A 73 -3.383 6.204 0.927 1.00 63.42 C ATOM 1161 CG ASP A 73 -3.552 7.660 1.336 1.00 55.54 C ATOM 1162 OD1 ASP A 73 -4.452 8.333 0.796 1.00 1.41 O ATOM 1163 OD2 ASP A 73 -2.795 8.132 2.214 1.00 74.43 O ATOM 0 H ASP A 73 -3.764 6.003 3.361 1.00 53.25 H new ATOM 0 HA ASP A 73 -5.445 5.608 1.114 1.00 62.20 H new ATOM 0 HB2 ASP A 73 -2.407 5.848 1.257 1.00 63.42 H new ATOM 0 HB3 ASP A 73 -3.398 6.131 -0.160 1.00 63.42 H new ATOM 1168 N PHE A 74 -3.316 3.170 1.800 1.00 61.34 N ATOM 1169 CA PHE A 74 -2.969 1.777 1.496 1.00 61.24 C ATOM 1170 C PHE A 74 -4.141 0.811 1.748 1.00 62.34 C ATOM 1171 O PHE A 74 -4.443 -0.035 0.907 1.00 42.11 O ATOM 1172 CB PHE A 74 -1.750 1.333 2.311 1.00 61.12 C ATOM 1173 CG PHE A 74 -0.451 1.967 1.878 1.00 13.53 C ATOM 1174 CD1 PHE A 74 0.275 1.432 0.822 1.00 24.33 C ATOM 1175 CD2 PHE A 74 0.051 3.085 2.528 1.00 73.13 C ATOM 1176 CE1 PHE A 74 1.470 2.002 0.424 1.00 61.01 C ATOM 1177 CE2 PHE A 74 1.246 3.656 2.135 1.00 52.32 C ATOM 1178 CZ PHE A 74 1.956 3.113 1.082 1.00 52.34 C ATOM 0 H PHE A 74 -2.798 3.570 2.582 1.00 61.34 H new ATOM 0 HA PHE A 74 -2.731 1.739 0.433 1.00 61.24 H new ATOM 0 HB2 PHE A 74 -1.924 1.569 3.361 1.00 61.12 H new ATOM 0 HB3 PHE A 74 -1.654 0.250 2.239 1.00 61.12 H new ATOM 0 HD1 PHE A 74 -0.098 0.560 0.305 1.00 24.33 H new ATOM 0 HD2 PHE A 74 -0.499 3.515 3.352 1.00 73.13 H new ATOM 0 HE1 PHE A 74 2.023 1.578 -0.401 1.00 61.01 H new ATOM 0 HE2 PHE A 74 1.625 4.526 2.651 1.00 52.32 H new ATOM 0 HZ PHE A 74 2.891 3.558 0.774 1.00 52.34 H new ATOM 1188 N GLU A 75 -4.800 0.930 2.903 1.00 62.14 N ATOM 1189 CA GLU A 75 -5.894 0.006 3.257 1.00 45.14 C ATOM 1190 C GLU A 75 -7.115 0.183 2.339 1.00 11.11 C ATOM 1191 O GLU A 75 -7.791 -0.792 2.000 1.00 42.24 O ATOM 1192 CB GLU A 75 -6.292 0.152 4.735 1.00 53.41 C ATOM 1193 CG GLU A 75 -6.685 1.562 5.160 1.00 40.21 C ATOM 1194 CD GLU A 75 -6.897 1.670 6.663 1.00 54.22 C ATOM 1195 OE1 GLU A 75 -5.908 1.517 7.415 1.00 13.53 O ATOM 1196 OE2 GLU A 75 -8.046 1.879 7.103 1.00 13.12 O ATOM 0 H GLU A 75 -4.603 1.644 3.604 1.00 62.14 H new ATOM 0 HA GLU A 75 -5.518 -1.006 3.107 1.00 45.14 H new ATOM 0 HB2 GLU A 75 -7.127 -0.519 4.939 1.00 53.41 H new ATOM 0 HB3 GLU A 75 -5.459 -0.179 5.355 1.00 53.41 H new ATOM 0 HG2 GLU A 75 -5.908 2.262 4.853 1.00 40.21 H new ATOM 0 HG3 GLU A 75 -7.599 1.854 4.644 1.00 40.21 H new ATOM 1203 N MET A 76 -7.391 1.422 1.929 1.00 24.02 N ATOM 1204 CA MET A 76 -8.426 1.680 0.920 1.00 63.11 C ATOM 1205 C MET A 76 -8.045 1.025 -0.414 1.00 72.10 C ATOM 1206 O MET A 76 -8.888 0.450 -1.108 1.00 2.14 O ATOM 1207 CB MET A 76 -8.632 3.189 0.726 1.00 24.13 C ATOM 1208 CG MET A 76 -9.275 3.879 1.922 1.00 4.13 C ATOM 1209 SD MET A 76 -10.913 3.222 2.298 1.00 13.00 S ATOM 1210 CE MET A 76 -11.785 3.564 0.768 1.00 22.51 C ATOM 0 H MET A 76 -6.919 2.257 2.275 1.00 24.02 H new ATOM 0 HA MET A 76 -9.362 1.246 1.273 1.00 63.11 H new ATOM 0 HB2 MET A 76 -7.668 3.655 0.524 1.00 24.13 H new ATOM 0 HB3 MET A 76 -9.255 3.351 -0.154 1.00 24.13 H new ATOM 0 HG2 MET A 76 -8.631 3.763 2.794 1.00 4.13 H new ATOM 0 HG3 MET A 76 -9.352 4.948 1.723 1.00 4.13 H new ATOM 0 HE1 MET A 76 -12.860 3.517 0.943 1.00 22.51 H new ATOM 0 HE2 MET A 76 -11.518 4.559 0.412 1.00 22.51 H new ATOM 0 HE3 MET A 76 -11.507 2.824 0.018 1.00 22.51 H new ATOM 1220 N ALA A 77 -6.760 1.107 -0.756 1.00 40.11 N ATOM 1221 CA ALA A 77 -6.230 0.463 -1.959 1.00 32.21 C ATOM 1222 C ALA A 77 -6.430 -1.061 -1.919 1.00 72.12 C ATOM 1223 O ALA A 77 -6.911 -1.660 -2.883 1.00 61.32 O ATOM 1224 CB ALA A 77 -4.756 0.808 -2.122 1.00 11.44 C ATOM 0 H ALA A 77 -6.062 1.616 -0.214 1.00 40.11 H new ATOM 0 HA ALA A 77 -6.783 0.840 -2.819 1.00 32.21 H new ATOM 0 HB1 ALA A 77 -4.367 0.326 -3.019 1.00 11.44 H new ATOM 0 HB2 ALA A 77 -4.643 1.888 -2.212 1.00 11.44 H new ATOM 0 HB3 ALA A 77 -4.202 0.457 -1.252 1.00 11.44 H new ATOM 1230 N VAL A 78 -6.062 -1.685 -0.797 1.00 24.34 N ATOM 1231 CA VAL A 78 -6.254 -3.134 -0.614 1.00 2.31 C ATOM 1232 C VAL A 78 -7.717 -3.532 -0.852 1.00 21.41 C ATOM 1233 O VAL A 78 -8.003 -4.508 -1.554 1.00 60.31 O ATOM 1234 CB VAL A 78 -5.835 -3.597 0.806 1.00 11.31 C ATOM 1235 CG1 VAL A 78 -6.076 -5.098 0.987 1.00 52.40 C ATOM 1236 CG2 VAL A 78 -4.374 -3.249 1.083 1.00 62.43 C ATOM 0 H VAL A 78 -5.630 -1.215 -0.001 1.00 24.34 H new ATOM 0 HA VAL A 78 -5.616 -3.626 -1.348 1.00 2.31 H new ATOM 0 HB VAL A 78 -6.455 -3.065 1.528 1.00 11.31 H new ATOM 0 HG11 VAL A 78 -5.774 -5.397 1.991 1.00 52.40 H new ATOM 0 HG12 VAL A 78 -7.135 -5.316 0.847 1.00 52.40 H new ATOM 0 HG13 VAL A 78 -5.491 -5.652 0.252 1.00 52.40 H new ATOM 0 HG21 VAL A 78 -4.104 -3.584 2.085 1.00 62.43 H new ATOM 0 HG22 VAL A 78 -3.737 -3.745 0.351 1.00 62.43 H new ATOM 0 HG23 VAL A 78 -4.237 -2.170 1.012 1.00 62.43 H new ATOM 1246 N ALA A 79 -8.636 -2.766 -0.270 1.00 64.04 N ATOM 1247 CA ALA A 79 -10.071 -3.000 -0.453 1.00 31.31 C ATOM 1248 C ALA A 79 -10.470 -2.916 -1.937 1.00 22.11 C ATOM 1249 O ALA A 79 -11.242 -3.738 -2.431 1.00 64.31 O ATOM 1250 CB ALA A 79 -10.872 -2.003 0.377 1.00 64.42 C ATOM 0 H ALA A 79 -8.414 -1.975 0.335 1.00 64.04 H new ATOM 0 HA ALA A 79 -10.297 -4.010 -0.110 1.00 31.31 H new ATOM 0 HB1 ALA A 79 -11.937 -2.184 0.235 1.00 64.42 H new ATOM 0 HB2 ALA A 79 -10.621 -2.122 1.431 1.00 64.42 H new ATOM 0 HB3 ALA A 79 -10.631 -0.989 0.059 1.00 64.42 H new ATOM 1256 N LYS A 80 -9.922 -1.929 -2.645 1.00 22.43 N ATOM 1257 CA LYS A 80 -10.223 -1.728 -4.070 1.00 22.03 C ATOM 1258 C LYS A 80 -9.621 -2.845 -4.949 1.00 44.34 C ATOM 1259 O LYS A 80 -10.200 -3.229 -5.969 1.00 32.33 O ATOM 1260 CB LYS A 80 -9.695 -0.357 -4.527 1.00 2.10 C ATOM 1261 CG LYS A 80 -10.013 0.011 -5.983 1.00 72.15 C ATOM 1262 CD LYS A 80 -11.438 0.552 -6.175 1.00 15.12 C ATOM 1263 CE LYS A 80 -12.516 -0.518 -6.013 1.00 42.41 C ATOM 1264 NZ LYS A 80 -13.883 0.048 -6.157 1.00 23.12 N ATOM 0 H LYS A 80 -9.265 -1.252 -2.257 1.00 22.43 H new ATOM 0 HA LYS A 80 -11.306 -1.763 -4.189 1.00 22.03 H new ATOM 0 HB2 LYS A 80 -10.111 0.411 -3.875 1.00 2.10 H new ATOM 0 HB3 LYS A 80 -8.614 -0.338 -4.392 1.00 2.10 H new ATOM 0 HG2 LYS A 80 -9.298 0.759 -6.326 1.00 72.15 H new ATOM 0 HG3 LYS A 80 -9.878 -0.870 -6.611 1.00 72.15 H new ATOM 0 HD2 LYS A 80 -11.617 1.350 -5.454 1.00 15.12 H new ATOM 0 HD3 LYS A 80 -11.521 0.994 -7.168 1.00 15.12 H new ATOM 0 HE2 LYS A 80 -12.366 -1.300 -6.757 1.00 42.41 H new ATOM 0 HE3 LYS A 80 -12.418 -0.987 -5.034 1.00 42.41 H new ATOM 0 HZ1 LYS A 80 -14.586 -0.709 -6.041 1.00 23.12 H new ATOM 0 HZ2 LYS A 80 -14.035 0.777 -5.431 1.00 23.12 H new ATOM 0 HZ3 LYS A 80 -13.985 0.473 -7.101 1.00 23.12 H new ATOM 1278 N VAL A 81 -8.460 -3.356 -4.547 1.00 23.02 N ATOM 1279 CA VAL A 81 -7.762 -4.409 -5.301 1.00 61.23 C ATOM 1280 C VAL A 81 -8.368 -5.805 -5.057 1.00 52.04 C ATOM 1281 O VAL A 81 -8.625 -6.555 -6.002 1.00 53.14 O ATOM 1282 CB VAL A 81 -6.252 -4.437 -4.941 1.00 62.45 C ATOM 1283 CG1 VAL A 81 -5.540 -5.611 -5.615 1.00 33.54 C ATOM 1284 CG2 VAL A 81 -5.588 -3.114 -5.322 1.00 72.14 C ATOM 0 H VAL A 81 -7.976 -3.060 -3.699 1.00 23.02 H new ATOM 0 HA VAL A 81 -7.885 -4.166 -6.356 1.00 61.23 H new ATOM 0 HB VAL A 81 -6.167 -4.573 -3.863 1.00 62.45 H new ATOM 0 HG11 VAL A 81 -4.485 -5.602 -5.342 1.00 33.54 H new ATOM 0 HG12 VAL A 81 -5.991 -6.547 -5.287 1.00 33.54 H new ATOM 0 HG13 VAL A 81 -5.636 -5.522 -6.697 1.00 33.54 H new ATOM 0 HG21 VAL A 81 -4.530 -3.150 -5.063 1.00 72.14 H new ATOM 0 HG22 VAL A 81 -5.694 -2.949 -6.394 1.00 72.14 H new ATOM 0 HG23 VAL A 81 -6.066 -2.298 -4.781 1.00 72.14 H new ATOM 1294 N MET A 82 -8.590 -6.154 -3.790 1.00 43.51 N ATOM 1295 CA MET A 82 -9.102 -7.485 -3.428 1.00 61.11 C ATOM 1296 C MET A 82 -10.638 -7.559 -3.490 1.00 24.32 C ATOM 1297 O MET A 82 -11.201 -8.639 -3.676 1.00 44.35 O ATOM 1298 CB MET A 82 -8.616 -7.878 -2.027 1.00 30.54 C ATOM 1299 CG MET A 82 -7.105 -8.055 -1.929 1.00 51.34 C ATOM 1300 SD MET A 82 -6.483 -9.348 -3.027 1.00 45.24 S ATOM 1301 CE MET A 82 -7.324 -10.790 -2.371 1.00 21.32 C ATOM 0 H MET A 82 -8.425 -5.538 -2.994 1.00 43.51 H new ATOM 0 HA MET A 82 -8.711 -8.189 -4.163 1.00 61.11 H new ATOM 0 HB2 MET A 82 -8.930 -7.114 -1.316 1.00 30.54 H new ATOM 0 HB3 MET A 82 -9.102 -8.808 -1.731 1.00 30.54 H new ATOM 0 HG2 MET A 82 -6.616 -7.112 -2.172 1.00 51.34 H new ATOM 0 HG3 MET A 82 -6.837 -8.297 -0.901 1.00 51.34 H new ATOM 0 HE1 MET A 82 -6.820 -11.693 -2.715 1.00 21.32 H new ATOM 0 HE2 MET A 82 -7.307 -10.757 -1.282 1.00 21.32 H new ATOM 0 HE3 MET A 82 -8.357 -10.798 -2.718 1.00 21.32 H new ATOM 1311 N GLN A 83 -11.309 -6.415 -3.319 1.00 53.22 N ATOM 1312 CA GLN A 83 -12.783 -6.342 -3.376 1.00 51.14 C ATOM 1313 C GLN A 83 -13.452 -7.227 -2.306 1.00 24.31 C ATOM 1314 O GLN A 83 -14.626 -7.587 -2.426 1.00 62.04 O ATOM 1315 CB GLN A 83 -13.289 -6.749 -4.769 1.00 53.52 C ATOM 1316 CG GLN A 83 -12.670 -5.955 -5.912 1.00 53.21 C ATOM 1317 CD GLN A 83 -13.219 -6.374 -7.262 1.00 61.32 C ATOM 1318 OE1 GLN A 83 -14.190 -5.809 -7.755 1.00 44.51 O ATOM 1319 NE2 GLN A 83 -12.620 -7.382 -7.860 1.00 12.54 N ATOM 0 H GLN A 83 -10.856 -5.519 -3.139 1.00 53.22 H new ATOM 0 HA GLN A 83 -13.057 -5.306 -3.174 1.00 51.14 H new ATOM 0 HB2 GLN A 83 -13.083 -7.808 -4.923 1.00 53.52 H new ATOM 0 HB3 GLN A 83 -14.372 -6.627 -4.801 1.00 53.52 H new ATOM 0 HG2 GLN A 83 -12.859 -4.893 -5.758 1.00 53.21 H new ATOM 0 HG3 GLN A 83 -11.589 -6.091 -5.903 1.00 53.21 H new ATOM 0 HE21 GLN A 83 -11.815 -7.829 -7.422 1.00 12.54 H new ATOM 0 HE22 GLN A 83 -12.961 -7.716 -8.761 1.00 12.54 H new ATOM 1328 N LYS A 84 -12.710 -7.564 -1.256 1.00 12.23 N ATOM 1329 CA LYS A 84 -13.228 -8.429 -0.193 1.00 34.11 C ATOM 1330 C LYS A 84 -12.868 -7.894 1.202 1.00 51.11 C ATOM 1331 O LYS A 84 -11.715 -7.562 1.478 1.00 44.32 O ATOM 1332 CB LYS A 84 -12.704 -9.868 -0.363 1.00 63.15 C ATOM 1333 CG LYS A 84 -13.119 -10.813 0.764 1.00 12.40 C ATOM 1334 CD LYS A 84 -14.634 -10.822 0.972 1.00 63.43 C ATOM 1335 CE LYS A 84 -15.034 -11.627 2.201 1.00 42.20 C ATOM 1336 NZ LYS A 84 -16.479 -11.473 2.514 1.00 44.35 N ATOM 0 H LYS A 84 -11.749 -7.253 -1.115 1.00 12.23 H new ATOM 0 HA LYS A 84 -14.315 -8.434 -0.277 1.00 34.11 H new ATOM 0 HB2 LYS A 84 -13.066 -10.267 -1.311 1.00 63.15 H new ATOM 0 HB3 LYS A 84 -11.616 -9.844 -0.422 1.00 63.15 H new ATOM 0 HG2 LYS A 84 -12.778 -11.823 0.535 1.00 12.40 H new ATOM 0 HG3 LYS A 84 -12.627 -10.513 1.689 1.00 12.40 H new ATOM 0 HD2 LYS A 84 -14.992 -9.798 1.077 1.00 63.43 H new ATOM 0 HD3 LYS A 84 -15.119 -11.241 0.090 1.00 63.43 H new ATOM 0 HE2 LYS A 84 -14.808 -12.680 2.035 1.00 42.20 H new ATOM 0 HE3 LYS A 84 -14.440 -11.304 3.056 1.00 42.20 H new ATOM 0 HZ1 LYS A 84 -16.710 -12.022 3.367 1.00 44.35 H new ATOM 0 HZ2 LYS A 84 -16.693 -10.469 2.680 1.00 44.35 H new ATOM 0 HZ3 LYS A 84 -17.046 -11.820 1.715 1.00 44.35 H new ATOM 1350 N ASP A 85 -13.871 -7.818 2.069 1.00 15.12 N ATOM 1351 CA ASP A 85 -13.683 -7.380 3.450 1.00 0.43 C ATOM 1352 C ASP A 85 -13.065 -8.501 4.311 1.00 22.22 C ATOM 1353 O ASP A 85 -13.737 -9.468 4.673 1.00 74.21 O ATOM 1354 CB ASP A 85 -15.028 -6.916 4.035 1.00 64.10 C ATOM 1355 CG ASP A 85 -16.101 -7.996 3.987 1.00 42.32 C ATOM 1356 OD1 ASP A 85 -16.411 -8.497 2.885 1.00 52.03 O ATOM 1357 OD2 ASP A 85 -16.640 -8.353 5.054 1.00 21.31 O ATOM 0 H ASP A 85 -14.835 -8.057 1.837 1.00 15.12 H new ATOM 0 HA ASP A 85 -12.986 -6.542 3.458 1.00 0.43 H new ATOM 0 HB2 ASP A 85 -14.880 -6.604 5.069 1.00 64.10 H new ATOM 0 HB3 ASP A 85 -15.375 -6.042 3.485 1.00 64.10 H new ATOM 1362 N SER A 86 -11.774 -8.370 4.610 1.00 21.12 N ATOM 1363 CA SER A 86 -11.056 -9.363 5.430 1.00 33.31 C ATOM 1364 C SER A 86 -11.555 -9.374 6.887 1.00 24.22 C ATOM 1365 O SER A 86 -12.281 -10.324 7.267 1.00 36.81 O ATOM 1366 CB SER A 86 -9.545 -9.094 5.410 1.00 45.05 C ATOM 1367 OG SER A 86 -8.844 -10.050 6.194 1.00 73.31 O ATOM 1368 OXT SER A 86 -11.238 -8.426 7.640 1.00 36.81 O ATOM 0 H SER A 86 -11.197 -7.588 4.300 1.00 21.12 H new ATOM 0 HA SER A 86 -11.258 -10.341 4.992 1.00 33.31 H new ATOM 0 HB2 SER A 86 -9.181 -9.124 4.383 1.00 45.05 H new ATOM 0 HB3 SER A 86 -9.346 -8.092 5.790 1.00 45.05 H new ATOM 0 HG SER A 86 -7.884 -9.857 6.163 1.00 73.31 H new TER 1374 SER A 86