USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 680 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 41 MET CE :methyl 139:sc= -0.263 (180deg=-1.63) USER MOD Set 1.2: A 49 MET CE :methyl -177:sc= -2.72! (180deg=-3.04!) USER MOD Single : A 13 ASN : amide:sc= -0.541 K(o=-0.54,f=-3.1) USER MOD Single : A 14 ASN : amide:sc= -1.63! C(o=-1.6!,f=-2.3!) USER MOD Single : A 17 MET CE :methyl 147:sc= -0.295 (180deg=-1.21) USER MOD Single : A 18 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 19 TYR OH : rot -30:sc= 1.4 USER MOD Single : A 26 SER OG : rot -30:sc= -0.554! USER MOD Single : A 28 ASN : amide:sc= 2.18 K(o=2.2,f=-5.7!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.177 K(o=-0.18,f=-2.4!) USER MOD Single : A 44 SER OG : rot -82:sc= 0.171 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -137:sc= 0.963 (180deg=0.107) USER MOD Single : A 55 MET CE :methyl 148:sc= -0.383 (180deg=-1.81!) USER MOD Single : A 56 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.9) USER MOD Single : A 58 SER OG : rot 180:sc= 0.189 USER MOD Single : A 62 THR OG1 : rot -80:sc= 1.2 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -140:sc= -0.0156 USER MOD Single : A 85 SER OG : rot 128:sc= 0.594 USER MOD Single : A 86 LYS NZ :NH3+ 158:sc= -0.113 (180deg=-0.516) USER MOD Single : A 87 LYS NZ :NH3+ -114:sc= 1.26 (180deg=-0.21) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 90 SER OG : rot 180:sc= -0.237 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 11 18.944 -1.183 -2.091 1.00 3.94 N ATOM 2 CA GLU A 11 17.841 -1.595 -2.939 1.00 3.58 C ATOM 3 C GLU A 11 16.728 -2.201 -2.101 1.00 2.90 C ATOM 4 O GLU A 11 15.885 -2.951 -2.596 1.00 3.21 O ATOM 5 CB GLU A 11 18.307 -2.583 -4.001 1.00 4.35 C ATOM 6 CG GLU A 11 17.635 -2.376 -5.342 1.00 5.21 C ATOM 7 CD GLU A 11 18.493 -1.609 -6.323 1.00 5.91 C ATOM 8 OE1 GLU A 11 18.611 -0.375 -6.185 1.00 6.57 O ATOM 9 OE2 GLU A 11 19.061 -2.241 -7.237 1.00 6.06 O ATOM 0 HA GLU A 11 17.455 -0.711 -3.447 1.00 3.58 H new ATOM 0 HB2 GLU A 11 19.386 -2.492 -4.124 1.00 4.35 H new ATOM 0 HB3 GLU A 11 18.110 -3.598 -3.656 1.00 4.35 H new ATOM 0 HG2 GLU A 11 17.384 -3.347 -5.770 1.00 5.21 H new ATOM 0 HG3 GLU A 11 16.697 -1.841 -5.193 1.00 5.21 H new ATOM 16 N LEU A 12 16.729 -1.852 -0.825 1.00 2.57 N ATOM 17 CA LEU A 12 15.725 -2.325 0.113 1.00 2.59 C ATOM 18 C LEU A 12 14.475 -1.473 -0.008 1.00 1.93 C ATOM 19 O LEU A 12 14.074 -0.785 0.930 1.00 2.11 O ATOM 20 CB LEU A 12 16.278 -2.278 1.531 1.00 3.54 C ATOM 21 CG LEU A 12 16.833 -3.612 2.021 1.00 4.47 C ATOM 22 CD1 LEU A 12 18.135 -3.424 2.784 1.00 5.39 C ATOM 23 CD2 LEU A 12 15.808 -4.307 2.889 1.00 5.10 C ATOM 0 H LEU A 12 17.426 -1.233 -0.411 1.00 2.57 H new ATOM 0 HA LEU A 12 15.466 -3.358 -0.119 1.00 2.59 H new ATOM 0 HB2 LEU A 12 17.067 -1.528 1.578 1.00 3.54 H new ATOM 0 HB3 LEU A 12 15.488 -1.953 2.208 1.00 3.54 H new ATOM 0 HG LEU A 12 17.047 -4.233 1.151 1.00 4.47 H new ATOM 0 HD11 LEU A 12 18.504 -4.394 3.119 1.00 5.39 H new ATOM 0 HD12 LEU A 12 18.875 -2.960 2.132 1.00 5.39 H new ATOM 0 HD13 LEU A 12 17.961 -2.783 3.649 1.00 5.39 H new ATOM 0 HD21 LEU A 12 16.210 -5.259 3.236 1.00 5.10 H new ATOM 0 HD22 LEU A 12 15.572 -3.678 3.748 1.00 5.10 H new ATOM 0 HD23 LEU A 12 14.902 -4.485 2.310 1.00 5.10 H new ATOM 35 N ASN A 13 13.901 -1.507 -1.204 1.00 1.62 N ATOM 36 CA ASN A 13 12.720 -0.745 -1.552 1.00 1.41 C ATOM 37 C ASN A 13 11.566 -1.045 -0.617 1.00 1.08 C ATOM 38 O ASN A 13 10.878 -2.058 -0.751 1.00 1.16 O ATOM 39 CB ASN A 13 12.313 -1.054 -3.000 1.00 2.03 C ATOM 40 CG ASN A 13 11.569 0.090 -3.661 1.00 2.40 C ATOM 41 OD1 ASN A 13 10.355 0.024 -3.846 1.00 2.71 O ATOM 42 ND2 ASN A 13 12.289 1.135 -4.037 1.00 3.15 N ATOM 0 H ASN A 13 14.255 -2.078 -1.971 1.00 1.62 H new ATOM 0 HA ASN A 13 12.961 0.313 -1.454 1.00 1.41 H new ATOM 0 HB2 ASN A 13 13.206 -1.284 -3.582 1.00 2.03 H new ATOM 0 HB3 ASN A 13 11.685 -1.945 -3.013 1.00 2.03 H new ATOM 0 HD21 ASN A 13 11.839 1.925 -4.499 1.00 3.15 H new ATOM 0 HD22 ASN A 13 13.294 1.150 -3.865 1.00 3.15 H new ATOM 49 N ASN A 14 11.352 -0.140 0.316 1.00 0.88 N ATOM 50 CA ASN A 14 10.265 -0.269 1.278 1.00 0.81 C ATOM 51 C ASN A 14 8.934 -0.223 0.548 1.00 0.64 C ATOM 52 O ASN A 14 7.953 -0.827 0.975 1.00 0.66 O ATOM 53 CB ASN A 14 10.331 0.849 2.322 1.00 0.96 C ATOM 54 CG ASN A 14 10.124 0.344 3.738 1.00 1.62 C ATOM 55 OD1 ASN A 14 9.646 -0.771 3.955 1.00 2.24 O ATOM 56 ND2 ASN A 14 10.491 1.160 4.717 1.00 2.24 N ATOM 0 H ASN A 14 11.918 0.700 0.433 1.00 0.88 H new ATOM 0 HA ASN A 14 10.363 -1.224 1.794 1.00 0.81 H new ATOM 0 HB2 ASN A 14 11.299 1.345 2.256 1.00 0.96 H new ATOM 0 HB3 ASN A 14 9.573 1.598 2.094 1.00 0.96 H new ATOM 0 HD21 ASN A 14 10.381 0.872 5.689 1.00 2.24 H new ATOM 0 HD22 ASN A 14 10.883 2.076 4.498 1.00 2.24 H new ATOM 63 N LEU A 15 8.918 0.481 -0.578 1.00 0.56 N ATOM 64 CA LEU A 15 7.725 0.600 -1.401 1.00 0.48 C ATOM 65 C LEU A 15 7.295 -0.775 -1.902 1.00 0.37 C ATOM 66 O LEU A 15 6.105 -1.074 -2.001 1.00 0.33 O ATOM 67 CB LEU A 15 8.019 1.513 -2.586 1.00 0.58 C ATOM 68 CG LEU A 15 6.916 2.498 -2.953 1.00 0.65 C ATOM 69 CD1 LEU A 15 7.518 3.808 -3.437 1.00 0.91 C ATOM 70 CD2 LEU A 15 6.005 1.895 -4.010 1.00 0.60 C ATOM 0 H LEU A 15 9.728 0.982 -0.943 1.00 0.56 H new ATOM 0 HA LEU A 15 6.917 1.025 -0.805 1.00 0.48 H new ATOM 0 HB2 LEU A 15 8.927 2.077 -2.370 1.00 0.58 H new ATOM 0 HB3 LEU A 15 8.229 0.891 -3.456 1.00 0.58 H new ATOM 0 HG LEU A 15 6.318 2.707 -2.066 1.00 0.65 H new ATOM 0 HD11 LEU A 15 6.718 4.502 -3.696 1.00 0.91 H new ATOM 0 HD12 LEU A 15 8.132 4.240 -2.647 1.00 0.91 H new ATOM 0 HD13 LEU A 15 8.135 3.622 -4.316 1.00 0.91 H new ATOM 0 HD21 LEU A 15 5.221 2.608 -4.264 1.00 0.60 H new ATOM 0 HD22 LEU A 15 6.587 1.662 -4.902 1.00 0.60 H new ATOM 0 HD23 LEU A 15 5.553 0.982 -3.623 1.00 0.60 H new ATOM 82 N ARG A 16 8.281 -1.623 -2.181 1.00 0.36 N ATOM 83 CA ARG A 16 8.014 -2.977 -2.636 1.00 0.33 C ATOM 84 C ARG A 16 7.407 -3.776 -1.494 1.00 0.27 C ATOM 85 O ARG A 16 6.471 -4.550 -1.687 1.00 0.28 O ATOM 86 CB ARG A 16 9.301 -3.643 -3.136 1.00 0.40 C ATOM 87 CG ARG A 16 9.157 -5.129 -3.446 1.00 0.65 C ATOM 88 CD ARG A 16 8.042 -5.395 -4.459 1.00 1.29 C ATOM 89 NE ARG A 16 8.543 -5.973 -5.712 1.00 2.05 N ATOM 90 CZ ARG A 16 8.776 -7.271 -5.908 1.00 2.78 C ATOM 91 NH1 ARG A 16 8.604 -8.157 -4.934 1.00 3.11 N ATOM 92 NH2 ARG A 16 9.195 -7.686 -7.093 1.00 3.67 N ATOM 0 H ARG A 16 9.271 -1.393 -2.099 1.00 0.36 H new ATOM 0 HA ARG A 16 7.311 -2.945 -3.468 1.00 0.33 H new ATOM 0 HB2 ARG A 16 9.638 -3.127 -4.035 1.00 0.40 H new ATOM 0 HB3 ARG A 16 10.079 -3.514 -2.384 1.00 0.40 H new ATOM 0 HG2 ARG A 16 10.100 -5.512 -3.836 1.00 0.65 H new ATOM 0 HG3 ARG A 16 8.948 -5.673 -2.525 1.00 0.65 H new ATOM 0 HD2 ARG A 16 7.310 -6.072 -4.018 1.00 1.29 H new ATOM 0 HD3 ARG A 16 7.523 -4.461 -4.676 1.00 1.29 H new ATOM 0 HE ARG A 16 8.726 -5.336 -6.488 1.00 2.05 H new ATOM 0 HH11 ARG A 16 8.288 -7.849 -4.014 1.00 3.11 H new ATOM 0 HH12 ARG A 16 8.788 -9.146 -5.105 1.00 3.11 H new ATOM 0 HH21 ARG A 16 9.337 -7.015 -7.848 1.00 3.67 H new ATOM 0 HH22 ARG A 16 9.376 -8.677 -7.252 1.00 3.67 H new ATOM 106 N MET A 17 7.924 -3.543 -0.292 1.00 0.28 N ATOM 107 CA MET A 17 7.413 -4.211 0.896 1.00 0.32 C ATOM 108 C MET A 17 5.990 -3.733 1.157 1.00 0.25 C ATOM 109 O MET A 17 5.141 -4.495 1.604 1.00 0.27 O ATOM 110 CB MET A 17 8.303 -3.922 2.113 1.00 0.45 C ATOM 111 CG MET A 17 8.683 -5.163 2.906 1.00 0.81 C ATOM 112 SD MET A 17 10.350 -5.745 2.519 1.00 1.96 S ATOM 113 CE MET A 17 11.328 -4.337 3.034 1.00 2.93 C ATOM 0 H MET A 17 8.695 -2.898 -0.117 1.00 0.28 H new ATOM 0 HA MET A 17 7.417 -5.288 0.730 1.00 0.32 H new ATOM 0 HB2 MET A 17 9.213 -3.425 1.776 1.00 0.45 H new ATOM 0 HB3 MET A 17 7.785 -3.226 2.773 1.00 0.45 H new ATOM 0 HG2 MET A 17 8.616 -4.944 3.972 1.00 0.81 H new ATOM 0 HG3 MET A 17 7.966 -5.957 2.698 1.00 0.81 H new ATOM 0 HE1 MET A 17 12.289 -4.682 3.417 1.00 2.93 H new ATOM 0 HE2 MET A 17 11.492 -3.677 2.182 1.00 2.93 H new ATOM 0 HE3 MET A 17 10.799 -3.794 3.817 1.00 2.93 H new ATOM 123 N THR A 18 5.747 -2.466 0.838 1.00 0.21 N ATOM 124 CA THR A 18 4.437 -1.864 0.999 1.00 0.20 C ATOM 125 C THR A 18 3.434 -2.514 0.047 1.00 0.19 C ATOM 126 O THR A 18 2.380 -2.989 0.469 1.00 0.23 O ATOM 127 CB THR A 18 4.499 -0.341 0.741 1.00 0.27 C ATOM 128 OG1 THR A 18 5.505 0.255 1.567 1.00 0.38 O ATOM 129 CG2 THR A 18 3.155 0.321 1.018 1.00 0.30 C ATOM 0 H THR A 18 6.453 -1.833 0.462 1.00 0.21 H new ATOM 0 HA THR A 18 4.110 -2.029 2.026 1.00 0.20 H new ATOM 0 HB THR A 18 4.748 -0.189 -0.309 1.00 0.27 H new ATOM 0 HG1 THR A 18 6.392 -0.014 1.248 1.00 0.38 H new ATOM 0 HG21 THR A 18 3.231 1.392 0.828 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.396 -0.111 0.366 1.00 0.30 H new ATOM 0 HG23 THR A 18 2.876 0.156 2.059 1.00 0.30 H new ATOM 137 N TYR A 19 3.793 -2.550 -1.236 1.00 0.21 N ATOM 138 CA TYR A 19 2.960 -3.149 -2.271 1.00 0.28 C ATOM 139 C TYR A 19 2.662 -4.610 -1.948 1.00 0.31 C ATOM 140 O TYR A 19 1.545 -5.093 -2.148 1.00 0.36 O ATOM 141 CB TYR A 19 3.684 -3.033 -3.617 1.00 0.35 C ATOM 142 CG TYR A 19 2.948 -3.629 -4.804 1.00 0.36 C ATOM 143 CD1 TYR A 19 1.870 -2.971 -5.389 1.00 0.32 C ATOM 144 CD2 TYR A 19 3.360 -4.834 -5.360 1.00 0.52 C ATOM 145 CE1 TYR A 19 1.225 -3.501 -6.492 1.00 0.39 C ATOM 146 CE2 TYR A 19 2.717 -5.372 -6.452 1.00 0.59 C ATOM 147 CZ TYR A 19 1.660 -4.702 -7.018 1.00 0.52 C ATOM 148 OH TYR A 19 1.040 -5.241 -8.125 1.00 0.61 O ATOM 0 H TYR A 19 4.670 -2.164 -1.584 1.00 0.21 H new ATOM 0 HA TYR A 19 2.008 -2.621 -2.320 1.00 0.28 H new ATOM 0 HB2 TYR A 19 3.873 -1.979 -3.820 1.00 0.35 H new ATOM 0 HB3 TYR A 19 4.655 -3.520 -3.531 1.00 0.35 H new ATOM 0 HD1 TYR A 19 1.532 -2.032 -4.975 1.00 0.32 H new ATOM 0 HD2 TYR A 19 4.200 -5.358 -4.928 1.00 0.52 H new ATOM 0 HE1 TYR A 19 0.390 -2.981 -6.937 1.00 0.39 H new ATOM 0 HE2 TYR A 19 3.042 -6.317 -6.862 1.00 0.59 H new ATOM 0 HH TYR A 19 0.097 -4.973 -8.135 1.00 0.61 H new ATOM 158 N GLU A 20 3.667 -5.307 -1.440 1.00 0.32 N ATOM 159 CA GLU A 20 3.528 -6.703 -1.079 1.00 0.40 C ATOM 160 C GLU A 20 2.665 -6.852 0.178 1.00 0.35 C ATOM 161 O GLU A 20 1.798 -7.726 0.242 1.00 0.35 O ATOM 162 CB GLU A 20 4.908 -7.321 -0.867 1.00 0.51 C ATOM 163 CG GLU A 20 4.909 -8.433 0.152 1.00 1.21 C ATOM 164 CD GLU A 20 6.262 -8.646 0.777 1.00 1.65 C ATOM 165 OE1 GLU A 20 7.196 -9.053 0.054 1.00 1.93 O ATOM 166 OE2 GLU A 20 6.401 -8.413 1.992 1.00 2.35 O ATOM 0 H GLU A 20 4.595 -4.921 -1.268 1.00 0.32 H new ATOM 0 HA GLU A 20 3.029 -7.231 -1.891 1.00 0.40 H new ATOM 0 HB2 GLU A 20 5.276 -7.707 -1.817 1.00 0.51 H new ATOM 0 HB3 GLU A 20 5.602 -6.544 -0.548 1.00 0.51 H new ATOM 0 HG2 GLU A 20 4.184 -8.205 0.933 1.00 1.21 H new ATOM 0 HG3 GLU A 20 4.584 -9.358 -0.325 1.00 1.21 H new ATOM 173 N ARG A 21 2.894 -5.993 1.176 1.00 0.33 N ATOM 174 CA ARG A 21 2.126 -6.041 2.419 1.00 0.32 C ATOM 175 C ARG A 21 0.657 -5.790 2.132 1.00 0.26 C ATOM 176 O ARG A 21 -0.224 -6.350 2.781 1.00 0.29 O ATOM 177 CB ARG A 21 2.642 -5.012 3.417 1.00 0.34 C ATOM 178 CG ARG A 21 2.669 -5.544 4.837 1.00 0.48 C ATOM 179 CD ARG A 21 4.014 -6.178 5.166 1.00 0.87 C ATOM 180 NE ARG A 21 4.398 -7.257 4.242 1.00 1.73 N ATOM 181 CZ ARG A 21 3.874 -8.495 4.239 1.00 2.60 C ATOM 182 NH1 ARG A 21 2.961 -8.850 5.138 1.00 2.99 N ATOM 183 NH2 ARG A 21 4.292 -9.387 3.354 1.00 3.57 N ATOM 0 H ARG A 21 3.602 -5.260 1.146 1.00 0.33 H new ATOM 0 HA ARG A 21 2.244 -7.033 2.855 1.00 0.32 H new ATOM 0 HB2 ARG A 21 3.647 -4.703 3.129 1.00 0.34 H new ATOM 0 HB3 ARG A 21 2.012 -4.124 3.377 1.00 0.34 H new ATOM 0 HG2 ARG A 21 2.467 -4.732 5.536 1.00 0.48 H new ATOM 0 HG3 ARG A 21 1.876 -6.281 4.967 1.00 0.48 H new ATOM 0 HD2 ARG A 21 4.784 -5.406 5.150 1.00 0.87 H new ATOM 0 HD3 ARG A 21 3.981 -6.574 6.181 1.00 0.87 H new ATOM 0 HE ARG A 21 5.118 -7.049 3.550 1.00 1.73 H new ATOM 0 HH11 ARG A 21 2.650 -8.180 5.841 1.00 2.99 H new ATOM 0 HH12 ARG A 21 2.572 -9.793 5.124 1.00 2.99 H new ATOM 0 HH21 ARG A 21 5.011 -9.134 2.676 1.00 3.57 H new ATOM 0 HH22 ARG A 21 3.895 -10.327 3.351 1.00 3.57 H new ATOM 197 N LEU A 22 0.408 -4.958 1.133 1.00 0.22 N ATOM 198 CA LEU A 22 -0.946 -4.629 0.724 1.00 0.20 C ATOM 199 C LEU A 22 -1.577 -5.825 0.039 1.00 0.23 C ATOM 200 O LEU A 22 -2.732 -6.136 0.269 1.00 0.24 O ATOM 201 CB LEU A 22 -0.920 -3.443 -0.231 1.00 0.22 C ATOM 202 CG LEU A 22 -1.034 -2.079 0.430 1.00 0.24 C ATOM 203 CD1 LEU A 22 -0.285 -1.030 -0.379 1.00 0.27 C ATOM 204 CD2 LEU A 22 -2.497 -1.712 0.594 1.00 0.33 C ATOM 0 H LEU A 22 1.134 -4.495 0.587 1.00 0.22 H new ATOM 0 HA LEU A 22 -1.534 -4.368 1.604 1.00 0.20 H new ATOM 0 HB2 LEU A 22 0.008 -3.476 -0.802 1.00 0.22 H new ATOM 0 HB3 LEU A 22 -1.737 -3.553 -0.944 1.00 0.22 H new ATOM 0 HG LEU A 22 -0.577 -2.118 1.419 1.00 0.24 H new ATOM 0 HD11 LEU A 22 -0.377 -0.060 0.109 1.00 0.27 H new ATOM 0 HD12 LEU A 22 0.768 -1.304 -0.444 1.00 0.27 H new ATOM 0 HD13 LEU A 22 -0.708 -0.973 -1.382 1.00 0.27 H new ATOM 0 HD21 LEU A 22 -2.576 -0.734 1.068 1.00 0.33 H new ATOM 0 HD22 LEU A 22 -2.976 -1.681 -0.385 1.00 0.33 H new ATOM 0 HD23 LEU A 22 -2.992 -2.458 1.216 1.00 0.33 H new ATOM 216 N ARG A 23 -0.795 -6.501 -0.791 1.00 0.27 N ATOM 217 CA ARG A 23 -1.271 -7.676 -1.505 1.00 0.32 C ATOM 218 C ARG A 23 -1.646 -8.779 -0.517 1.00 0.31 C ATOM 219 O ARG A 23 -2.672 -9.449 -0.662 1.00 0.34 O ATOM 220 CB ARG A 23 -0.174 -8.159 -2.461 1.00 0.39 C ATOM 221 CG ARG A 23 -0.534 -9.398 -3.262 1.00 0.82 C ATOM 222 CD ARG A 23 -0.219 -9.208 -4.733 1.00 1.40 C ATOM 223 NE ARG A 23 -1.376 -8.728 -5.477 1.00 1.98 N ATOM 224 CZ ARG A 23 -1.285 -7.966 -6.557 1.00 2.61 C ATOM 225 NH1 ARG A 23 -0.091 -7.666 -7.059 1.00 3.01 N ATOM 226 NH2 ARG A 23 -2.383 -7.542 -7.165 1.00 3.33 N ATOM 0 H ARG A 23 0.175 -6.254 -0.987 1.00 0.27 H new ATOM 0 HA ARG A 23 -2.161 -7.420 -2.079 1.00 0.32 H new ATOM 0 HB2 ARG A 23 0.067 -7.352 -3.153 1.00 0.39 H new ATOM 0 HB3 ARG A 23 0.728 -8.365 -1.884 1.00 0.39 H new ATOM 0 HG2 ARG A 23 0.017 -10.256 -2.877 1.00 0.82 H new ATOM 0 HG3 ARG A 23 -1.594 -9.619 -3.140 1.00 0.82 H new ATOM 0 HD2 ARG A 23 0.602 -8.499 -4.840 1.00 1.40 H new ATOM 0 HD3 ARG A 23 0.119 -10.153 -5.157 1.00 1.40 H new ATOM 0 HE ARG A 23 -2.305 -8.993 -5.149 1.00 1.98 H new ATOM 0 HH11 ARG A 23 0.754 -8.022 -6.613 1.00 3.01 H new ATOM 0 HH12 ARG A 23 -0.020 -7.079 -7.890 1.00 3.01 H new ATOM 0 HH21 ARG A 23 -3.300 -7.802 -6.802 1.00 3.33 H new ATOM 0 HH22 ARG A 23 -2.311 -6.955 -7.996 1.00 3.33 H new ATOM 240 N GLU A 24 -0.816 -8.941 0.506 1.00 0.31 N ATOM 241 CA GLU A 24 -1.051 -9.942 1.527 1.00 0.33 C ATOM 242 C GLU A 24 -2.237 -9.559 2.405 1.00 0.28 C ATOM 243 O GLU A 24 -3.005 -10.417 2.839 1.00 0.30 O ATOM 244 CB GLU A 24 0.197 -10.088 2.392 1.00 0.38 C ATOM 245 CG GLU A 24 0.723 -11.505 2.477 1.00 0.61 C ATOM 246 CD GLU A 24 1.913 -11.596 3.404 1.00 1.63 C ATOM 247 OE1 GLU A 24 1.726 -11.463 4.633 1.00 2.36 O ATOM 248 OE2 GLU A 24 3.047 -11.769 2.909 1.00 2.24 O ATOM 0 H GLU A 24 0.029 -8.387 0.647 1.00 0.31 H new ATOM 0 HA GLU A 24 -1.277 -10.889 1.037 1.00 0.33 H new ATOM 0 HB2 GLU A 24 0.981 -9.443 1.994 1.00 0.38 H new ATOM 0 HB3 GLU A 24 -0.027 -9.733 3.398 1.00 0.38 H new ATOM 0 HG2 GLU A 24 -0.067 -12.168 2.830 1.00 0.61 H new ATOM 0 HG3 GLU A 24 1.007 -11.850 1.483 1.00 0.61 H new ATOM 255 N LEU A 25 -2.367 -8.266 2.670 1.00 0.24 N ATOM 256 CA LEU A 25 -3.439 -7.765 3.513 1.00 0.22 C ATOM 257 C LEU A 25 -4.774 -7.806 2.770 1.00 0.18 C ATOM 258 O LEU A 25 -5.807 -8.132 3.357 1.00 0.20 O ATOM 259 CB LEU A 25 -3.116 -6.339 3.974 1.00 0.22 C ATOM 260 CG LEU A 25 -3.385 -6.029 5.456 1.00 0.25 C ATOM 261 CD1 LEU A 25 -4.142 -4.725 5.600 1.00 0.28 C ATOM 262 CD2 LEU A 25 -4.144 -7.163 6.149 1.00 0.28 C ATOM 0 H LEU A 25 -1.741 -7.545 2.311 1.00 0.24 H new ATOM 0 HA LEU A 25 -3.525 -8.405 4.391 1.00 0.22 H new ATOM 0 HB2 LEU A 25 -2.064 -6.142 3.768 1.00 0.22 H new ATOM 0 HB3 LEU A 25 -3.695 -5.643 3.367 1.00 0.22 H new ATOM 0 HG LEU A 25 -2.416 -5.933 5.947 1.00 0.25 H new ATOM 0 HD11 LEU A 25 -4.322 -4.524 6.656 1.00 0.28 H new ATOM 0 HD12 LEU A 25 -3.554 -3.914 5.171 1.00 0.28 H new ATOM 0 HD13 LEU A 25 -5.095 -4.798 5.077 1.00 0.28 H new ATOM 0 HD21 LEU A 25 -4.313 -6.903 7.194 1.00 0.28 H new ATOM 0 HD22 LEU A 25 -5.103 -7.315 5.653 1.00 0.28 H new ATOM 0 HD23 LEU A 25 -3.558 -8.080 6.094 1.00 0.28 H new ATOM 274 N SER A 26 -4.748 -7.491 1.479 1.00 0.17 N ATOM 275 CA SER A 26 -5.960 -7.505 0.666 1.00 0.16 C ATOM 276 C SER A 26 -6.549 -8.911 0.601 1.00 0.19 C ATOM 277 O SER A 26 -7.761 -9.084 0.647 1.00 0.22 O ATOM 278 CB SER A 26 -5.670 -7.008 -0.761 1.00 0.19 C ATOM 279 OG SER A 26 -5.031 -5.748 -0.755 1.00 0.86 O ATOM 0 H SER A 26 -3.903 -7.223 0.974 1.00 0.17 H new ATOM 0 HA SER A 26 -6.680 -6.835 1.136 1.00 0.16 H new ATOM 0 HB2 SER A 26 -5.041 -7.733 -1.278 1.00 0.19 H new ATOM 0 HB3 SER A 26 -6.604 -6.940 -1.320 1.00 0.19 H new ATOM 0 HG SER A 26 -5.320 -5.238 0.030 1.00 0.86 H new ATOM 285 N LEU A 27 -5.683 -9.911 0.501 1.00 0.23 N ATOM 286 CA LEU A 27 -6.141 -11.289 0.431 1.00 0.28 C ATOM 287 C LEU A 27 -6.538 -11.792 1.819 1.00 0.29 C ATOM 288 O LEU A 27 -7.415 -12.645 1.961 1.00 0.34 O ATOM 289 CB LEU A 27 -5.058 -12.184 -0.180 1.00 0.33 C ATOM 290 CG LEU A 27 -5.409 -12.760 -1.553 1.00 0.42 C ATOM 291 CD1 LEU A 27 -5.670 -11.631 -2.541 1.00 0.54 C ATOM 292 CD2 LEU A 27 -4.297 -13.671 -2.054 1.00 0.60 C ATOM 0 H LEU A 27 -4.670 -9.794 0.467 1.00 0.23 H new ATOM 0 HA LEU A 27 -7.020 -11.329 -0.212 1.00 0.28 H new ATOM 0 HB2 LEU A 27 -4.136 -11.609 -0.266 1.00 0.33 H new ATOM 0 HB3 LEU A 27 -4.857 -13.008 0.505 1.00 0.33 H new ATOM 0 HG LEU A 27 -6.316 -13.358 -1.461 1.00 0.42 H new ATOM 0 HD11 LEU A 27 -5.919 -12.051 -3.516 1.00 0.54 H new ATOM 0 HD12 LEU A 27 -6.501 -11.021 -2.186 1.00 0.54 H new ATOM 0 HD13 LEU A 27 -4.777 -11.012 -2.630 1.00 0.54 H new ATOM 0 HD21 LEU A 27 -4.566 -14.070 -3.032 1.00 0.60 H new ATOM 0 HD22 LEU A 27 -3.371 -13.103 -2.137 1.00 0.60 H new ATOM 0 HD23 LEU A 27 -4.157 -14.493 -1.353 1.00 0.60 H new ATOM 304 N ASN A 28 -5.890 -11.245 2.841 1.00 0.28 N ATOM 305 CA ASN A 28 -6.169 -11.624 4.221 1.00 0.35 C ATOM 306 C ASN A 28 -7.541 -11.119 4.658 1.00 0.35 C ATOM 307 O ASN A 28 -8.423 -11.908 4.996 1.00 0.42 O ATOM 308 CB ASN A 28 -5.085 -11.066 5.155 1.00 0.41 C ATOM 309 CG ASN A 28 -4.073 -12.115 5.606 1.00 0.84 C ATOM 310 OD1 ASN A 28 -4.272 -12.793 6.614 1.00 1.14 O ATOM 311 ND2 ASN A 28 -2.976 -12.249 4.869 1.00 1.31 N ATOM 0 H ASN A 28 -5.165 -10.535 2.739 1.00 0.28 H new ATOM 0 HA ASN A 28 -6.167 -12.712 4.280 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.558 -10.259 4.646 1.00 0.41 H new ATOM 0 HB3 ASN A 28 -5.562 -10.631 6.033 1.00 0.41 H new ATOM 0 HD21 ASN A 28 -2.265 -12.931 5.132 1.00 1.31 H new ATOM 0 HD22 ASN A 28 -2.845 -11.670 4.040 1.00 1.31 H new ATOM 318 N LEU A 29 -7.718 -9.802 4.635 1.00 0.33 N ATOM 319 CA LEU A 29 -8.984 -9.193 5.023 1.00 0.38 C ATOM 320 C LEU A 29 -10.082 -9.560 4.040 1.00 0.40 C ATOM 321 O LEU A 29 -11.251 -9.661 4.405 1.00 0.49 O ATOM 322 CB LEU A 29 -8.854 -7.667 5.077 1.00 0.40 C ATOM 323 CG LEU A 29 -7.858 -7.131 6.101 1.00 0.38 C ATOM 324 CD1 LEU A 29 -7.349 -5.777 5.660 1.00 0.36 C ATOM 325 CD2 LEU A 29 -8.478 -7.037 7.483 1.00 0.39 C ATOM 0 H LEU A 29 -7.000 -9.136 4.351 1.00 0.33 H new ATOM 0 HA LEU A 29 -9.243 -9.572 6.012 1.00 0.38 H new ATOM 0 HB2 LEU A 29 -8.562 -7.309 4.090 1.00 0.40 H new ATOM 0 HB3 LEU A 29 -9.835 -7.243 5.293 1.00 0.40 H new ATOM 0 HG LEU A 29 -7.023 -7.829 6.161 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -6.638 -5.399 6.395 1.00 0.36 H new ATOM 0 HD12 LEU A 29 -6.856 -5.871 4.693 1.00 0.36 H new ATOM 0 HD13 LEU A 29 -8.186 -5.084 5.574 1.00 0.36 H new ATOM 0 HD21 LEU A 29 -7.741 -6.652 8.187 1.00 0.39 H new ATOM 0 HD22 LEU A 29 -9.336 -6.365 7.452 1.00 0.39 H new ATOM 0 HD23 LEU A 29 -8.803 -8.027 7.804 1.00 0.39 H new ATOM 337 N GLY A 30 -9.699 -9.740 2.781 1.00 0.35 N ATOM 338 CA GLY A 30 -10.667 -10.072 1.758 1.00 0.43 C ATOM 339 C GLY A 30 -11.357 -11.395 2.004 1.00 0.53 C ATOM 340 O GLY A 30 -12.538 -11.548 1.696 1.00 0.65 O ATOM 0 H GLY A 30 -8.736 -9.662 2.453 1.00 0.35 H new ATOM 0 HA2 GLY A 30 -11.416 -9.282 1.705 1.00 0.43 H new ATOM 0 HA3 GLY A 30 -10.168 -10.104 0.790 1.00 0.43 H new ATOM 344 N ASN A 31 -10.622 -12.351 2.560 1.00 0.53 N ATOM 345 CA ASN A 31 -11.183 -13.669 2.842 1.00 0.66 C ATOM 346 C ASN A 31 -11.837 -13.676 4.218 1.00 0.71 C ATOM 347 O ASN A 31 -12.575 -14.595 4.572 1.00 0.84 O ATOM 348 CB ASN A 31 -10.079 -14.737 2.766 1.00 0.70 C ATOM 349 CG ASN A 31 -10.617 -16.122 2.458 1.00 1.17 C ATOM 350 OD1 ASN A 31 -10.987 -16.872 3.366 1.00 1.94 O ATOM 351 ND2 ASN A 31 -10.650 -16.487 1.185 1.00 1.52 N ATOM 0 H ASN A 31 -9.643 -12.241 2.823 1.00 0.53 H new ATOM 0 HA ASN A 31 -11.943 -13.899 2.096 1.00 0.66 H new ATOM 0 HB2 ASN A 31 -9.359 -14.454 1.999 1.00 0.70 H new ATOM 0 HB3 ASN A 31 -9.541 -14.764 3.714 1.00 0.70 H new ATOM 0 HD21 ASN A 31 -10.989 -17.414 0.929 1.00 1.52 H new ATOM 0 HD22 ASN A 31 -10.336 -15.841 0.461 1.00 1.52 H new ATOM 358 N ARG A 32 -11.576 -12.627 4.988 1.00 0.66 N ATOM 359 CA ARG A 32 -12.144 -12.500 6.319 1.00 0.77 C ATOM 360 C ARG A 32 -13.476 -11.762 6.255 1.00 0.86 C ATOM 361 O ARG A 32 -14.165 -11.610 7.263 1.00 1.01 O ATOM 362 CB ARG A 32 -11.166 -11.769 7.244 1.00 0.76 C ATOM 363 CG ARG A 32 -11.231 -12.224 8.696 1.00 0.91 C ATOM 364 CD ARG A 32 -9.854 -12.255 9.340 1.00 1.14 C ATOM 365 NE ARG A 32 -8.869 -12.937 8.509 1.00 2.09 N ATOM 366 CZ ARG A 32 -7.622 -12.517 8.343 1.00 2.75 C ATOM 367 NH1 ARG A 32 -7.213 -11.403 8.945 1.00 2.70 N ATOM 368 NH2 ARG A 32 -6.796 -13.213 7.581 1.00 3.82 N ATOM 0 H ARG A 32 -10.973 -11.852 4.711 1.00 0.66 H new ATOM 0 HA ARG A 32 -12.321 -13.497 6.723 1.00 0.77 H new ATOM 0 HB2 ARG A 32 -10.152 -11.916 6.873 1.00 0.76 H new ATOM 0 HB3 ARG A 32 -11.370 -10.699 7.199 1.00 0.76 H new ATOM 0 HG2 ARG A 32 -11.880 -11.553 9.258 1.00 0.91 H new ATOM 0 HG3 ARG A 32 -11.678 -13.217 8.746 1.00 0.91 H new ATOM 0 HD2 ARG A 32 -9.521 -11.235 9.530 1.00 1.14 H new ATOM 0 HD3 ARG A 32 -9.919 -12.755 10.307 1.00 1.14 H new ATOM 0 HE ARG A 32 -9.156 -13.788 8.026 1.00 2.09 H new ATOM 0 HH11 ARG A 32 -7.858 -10.874 9.532 1.00 2.70 H new ATOM 0 HH12 ARG A 32 -6.254 -11.078 8.819 1.00 2.70 H new ATOM 0 HH21 ARG A 32 -7.119 -14.067 7.126 1.00 3.82 H new ATOM 0 HH22 ARG A 32 -5.835 -12.896 7.448 1.00 3.82 H new ATOM 382 N MET A 33 -13.846 -11.321 5.063 1.00 0.83 N ATOM 383 CA MET A 33 -15.105 -10.628 4.875 1.00 0.96 C ATOM 384 C MET A 33 -16.154 -11.610 4.377 1.00 1.17 C ATOM 385 O MET A 33 -15.846 -12.506 3.595 1.00 1.55 O ATOM 386 CB MET A 33 -14.947 -9.469 3.884 1.00 0.80 C ATOM 387 CG MET A 33 -16.232 -8.697 3.635 1.00 0.95 C ATOM 388 SD MET A 33 -15.935 -7.108 2.827 1.00 1.18 S ATOM 389 CE MET A 33 -16.296 -5.953 4.151 1.00 1.84 C ATOM 0 H MET A 33 -13.291 -11.432 4.214 1.00 0.83 H new ATOM 0 HA MET A 33 -15.424 -10.212 5.830 1.00 0.96 H new ATOM 0 HB2 MET A 33 -14.188 -8.782 4.260 1.00 0.80 H new ATOM 0 HB3 MET A 33 -14.580 -9.861 2.936 1.00 0.80 H new ATOM 0 HG2 MET A 33 -16.899 -9.297 3.016 1.00 0.95 H new ATOM 0 HG3 MET A 33 -16.742 -8.530 4.584 1.00 0.95 H new ATOM 0 HE1 MET A 33 -16.154 -4.933 3.793 1.00 1.84 H new ATOM 0 HE2 MET A 33 -17.328 -6.083 4.476 1.00 1.84 H new ATOM 0 HE3 MET A 33 -15.625 -6.140 4.990 1.00 1.84 H new ATOM 399 N VAL A 34 -17.386 -11.457 4.833 1.00 1.22 N ATOM 400 CA VAL A 34 -18.451 -12.351 4.413 1.00 1.41 C ATOM 401 C VAL A 34 -19.586 -11.564 3.762 1.00 1.54 C ATOM 402 O VAL A 34 -20.235 -10.746 4.419 1.00 1.66 O ATOM 403 CB VAL A 34 -19.019 -13.176 5.597 1.00 1.65 C ATOM 404 CG1 VAL A 34 -19.682 -14.451 5.095 1.00 1.87 C ATOM 405 CG2 VAL A 34 -17.931 -13.505 6.611 1.00 1.64 C ATOM 0 H VAL A 34 -17.672 -10.729 5.488 1.00 1.22 H new ATOM 0 HA VAL A 34 -18.017 -13.042 3.690 1.00 1.41 H new ATOM 0 HB VAL A 34 -19.772 -12.567 6.096 1.00 1.65 H new ATOM 0 HG11 VAL A 34 -20.074 -15.015 5.942 1.00 1.87 H new ATOM 0 HG12 VAL A 34 -20.499 -14.195 4.420 1.00 1.87 H new ATOM 0 HG13 VAL A 34 -18.949 -15.057 4.563 1.00 1.87 H new ATOM 0 HG21 VAL A 34 -18.359 -14.084 7.429 1.00 1.64 H new ATOM 0 HG22 VAL A 34 -17.146 -14.087 6.127 1.00 1.64 H new ATOM 0 HG23 VAL A 34 -17.508 -12.580 7.003 1.00 1.64 H new ATOM 415 N PRO A 35 -19.845 -11.785 2.463 1.00 1.58 N ATOM 416 CA PRO A 35 -19.095 -12.742 1.641 1.00 1.51 C ATOM 417 C PRO A 35 -17.742 -12.188 1.200 1.00 1.32 C ATOM 418 O PRO A 35 -17.544 -10.967 1.189 1.00 1.30 O ATOM 419 CB PRO A 35 -20.010 -12.946 0.434 1.00 1.71 C ATOM 420 CG PRO A 35 -20.745 -11.659 0.296 1.00 1.86 C ATOM 421 CD PRO A 35 -20.919 -11.123 1.694 1.00 1.75 C ATOM 0 HA PRO A 35 -18.862 -13.660 2.181 1.00 1.51 H new ATOM 0 HB2 PRO A 35 -19.436 -13.173 -0.464 1.00 1.71 H new ATOM 0 HB3 PRO A 35 -20.695 -13.779 0.593 1.00 1.71 H new ATOM 0 HG2 PRO A 35 -20.187 -10.957 -0.324 1.00 1.86 H new ATOM 0 HG3 PRO A 35 -21.711 -11.812 -0.185 1.00 1.86 H new ATOM 0 HD2 PRO A 35 -20.820 -10.038 1.721 1.00 1.75 H new ATOM 0 HD3 PRO A 35 -21.904 -11.363 2.095 1.00 1.75 H new ATOM 429 N PRO A 36 -16.793 -13.076 0.843 1.00 1.22 N ATOM 430 CA PRO A 36 -15.452 -12.677 0.411 1.00 1.08 C ATOM 431 C PRO A 36 -15.477 -11.621 -0.683 1.00 1.17 C ATOM 432 O PRO A 36 -16.321 -11.651 -1.582 1.00 1.42 O ATOM 433 CB PRO A 36 -14.835 -13.980 -0.090 1.00 1.12 C ATOM 434 CG PRO A 36 -15.542 -15.037 0.687 1.00 1.14 C ATOM 435 CD PRO A 36 -16.954 -14.543 0.848 1.00 1.27 C ATOM 0 HA PRO A 36 -14.885 -12.214 1.219 1.00 1.08 H new ATOM 0 HB2 PRO A 36 -14.985 -14.106 -1.162 1.00 1.12 H new ATOM 0 HB3 PRO A 36 -13.760 -14.006 0.087 1.00 1.12 H new ATOM 0 HG2 PRO A 36 -15.518 -15.992 0.162 1.00 1.14 H new ATOM 0 HG3 PRO A 36 -15.069 -15.194 1.656 1.00 1.14 H new ATOM 0 HD2 PRO A 36 -17.596 -14.882 0.035 1.00 1.27 H new ATOM 0 HD3 PRO A 36 -17.402 -14.897 1.776 1.00 1.27 H new ATOM 443 N VAL A 37 -14.562 -10.676 -0.574 1.00 0.99 N ATOM 444 CA VAL A 37 -14.471 -9.576 -1.519 1.00 1.08 C ATOM 445 C VAL A 37 -13.825 -10.006 -2.828 1.00 1.24 C ATOM 446 O VAL A 37 -14.243 -9.578 -3.904 1.00 2.02 O ATOM 447 CB VAL A 37 -13.646 -8.404 -0.945 1.00 0.81 C ATOM 448 CG1 VAL A 37 -14.120 -7.072 -1.510 1.00 0.95 C ATOM 449 CG2 VAL A 37 -13.690 -8.387 0.576 1.00 0.81 C ATOM 0 H VAL A 37 -13.863 -10.648 0.168 1.00 0.99 H new ATOM 0 HA VAL A 37 -15.496 -9.255 -1.704 1.00 1.08 H new ATOM 0 HB VAL A 37 -12.610 -8.554 -1.249 1.00 0.81 H new ATOM 0 HG11 VAL A 37 -13.521 -6.264 -1.089 1.00 0.95 H new ATOM 0 HG12 VAL A 37 -14.010 -7.077 -2.594 1.00 0.95 H new ATOM 0 HG13 VAL A 37 -15.168 -6.920 -1.252 1.00 0.95 H new ATOM 0 HG21 VAL A 37 -13.099 -7.550 0.948 1.00 0.81 H new ATOM 0 HG22 VAL A 37 -14.722 -8.279 0.909 1.00 0.81 H new ATOM 0 HG23 VAL A 37 -13.280 -9.320 0.962 1.00 0.81 H new ATOM 459 N GLY A 38 -12.780 -10.814 -2.736 1.00 1.18 N ATOM 460 CA GLY A 38 -12.073 -11.228 -3.924 1.00 1.27 C ATOM 461 C GLY A 38 -11.048 -10.186 -4.299 1.00 1.09 C ATOM 462 O GLY A 38 -9.843 -10.436 -4.268 1.00 1.23 O ATOM 0 H GLY A 38 -12.412 -11.188 -1.862 1.00 1.18 H new ATOM 0 HA2 GLY A 38 -11.584 -12.187 -3.751 1.00 1.27 H new ATOM 0 HA3 GLY A 38 -12.776 -11.372 -4.745 1.00 1.27 H new ATOM 466 N ASN A 39 -11.528 -8.991 -4.608 1.00 0.92 N ATOM 467 CA ASN A 39 -10.658 -7.881 -4.941 1.00 0.82 C ATOM 468 C ASN A 39 -10.818 -6.804 -3.877 1.00 0.64 C ATOM 469 O ASN A 39 -11.556 -5.844 -4.061 1.00 0.74 O ATOM 470 CB ASN A 39 -10.973 -7.320 -6.333 1.00 0.99 C ATOM 471 CG ASN A 39 -9.768 -6.636 -6.953 1.00 1.44 C ATOM 472 OD1 ASN A 39 -8.636 -6.858 -6.534 1.00 2.12 O ATOM 473 ND2 ASN A 39 -9.998 -5.810 -7.958 1.00 2.13 N ATOM 0 H ASN A 39 -12.523 -8.768 -4.634 1.00 0.92 H new ATOM 0 HA ASN A 39 -9.625 -8.229 -4.965 1.00 0.82 H new ATOM 0 HB2 ASN A 39 -11.306 -8.129 -6.984 1.00 0.99 H new ATOM 0 HB3 ASN A 39 -11.796 -6.610 -6.260 1.00 0.99 H new ATOM 0 HD21 ASN A 39 -9.221 -5.332 -8.413 1.00 2.13 H new ATOM 0 HD22 ASN A 39 -10.953 -5.651 -8.279 1.00 2.13 H new ATOM 480 N PHE A 40 -10.134 -6.999 -2.754 1.00 0.46 N ATOM 481 CA PHE A 40 -10.208 -6.067 -1.631 1.00 0.32 C ATOM 482 C PHE A 40 -9.721 -4.683 -2.059 1.00 0.28 C ATOM 483 O PHE A 40 -10.338 -3.662 -1.749 1.00 0.52 O ATOM 484 CB PHE A 40 -9.376 -6.613 -0.467 1.00 0.24 C ATOM 485 CG PHE A 40 -9.494 -5.827 0.804 1.00 0.22 C ATOM 486 CD1 PHE A 40 -10.731 -5.549 1.370 1.00 0.30 C ATOM 487 CD2 PHE A 40 -8.355 -5.381 1.441 1.00 0.20 C ATOM 488 CE1 PHE A 40 -10.818 -4.826 2.546 1.00 0.37 C ATOM 489 CE2 PHE A 40 -8.432 -4.667 2.611 1.00 0.26 C ATOM 490 CZ PHE A 40 -9.665 -4.388 3.171 1.00 0.33 C ATOM 0 H PHE A 40 -9.519 -7.797 -2.596 1.00 0.46 H new ATOM 0 HA PHE A 40 -11.243 -5.966 -1.304 1.00 0.32 H new ATOM 0 HB2 PHE A 40 -9.678 -7.642 -0.272 1.00 0.24 H new ATOM 0 HB3 PHE A 40 -8.328 -6.640 -0.767 1.00 0.24 H new ATOM 0 HD1 PHE A 40 -11.632 -5.900 0.889 1.00 0.30 H new ATOM 0 HD2 PHE A 40 -7.387 -5.597 1.013 1.00 0.20 H new ATOM 0 HE1 PHE A 40 -11.784 -4.604 2.975 1.00 0.37 H new ATOM 0 HE2 PHE A 40 -7.529 -4.323 3.094 1.00 0.26 H new ATOM 0 HZ PHE A 40 -9.727 -3.830 4.093 1.00 0.33 H new ATOM 500 N MET A 41 -8.635 -4.673 -2.808 1.00 0.22 N ATOM 501 CA MET A 41 -8.066 -3.445 -3.325 1.00 0.18 C ATOM 502 C MET A 41 -7.447 -3.712 -4.690 1.00 0.20 C ATOM 503 O MET A 41 -6.627 -4.618 -4.833 1.00 0.24 O ATOM 504 CB MET A 41 -7.024 -2.886 -2.358 1.00 0.17 C ATOM 505 CG MET A 41 -6.748 -1.406 -2.567 1.00 0.21 C ATOM 506 SD MET A 41 -8.270 -0.436 -2.669 1.00 0.28 S ATOM 507 CE MET A 41 -8.331 0.324 -1.050 1.00 0.25 C ATOM 0 H MET A 41 -8.124 -5.515 -3.074 1.00 0.22 H new ATOM 0 HA MET A 41 -8.855 -2.700 -3.431 1.00 0.18 H new ATOM 0 HB2 MET A 41 -7.365 -3.045 -1.335 1.00 0.17 H new ATOM 0 HB3 MET A 41 -6.094 -3.443 -2.474 1.00 0.17 H new ATOM 0 HG2 MET A 41 -6.136 -1.033 -1.746 1.00 0.21 H new ATOM 0 HG3 MET A 41 -6.171 -1.271 -3.482 1.00 0.21 H new ATOM 0 HE1 MET A 41 -8.654 1.361 -1.147 1.00 0.25 H new ATOM 0 HE2 MET A 41 -9.036 -0.219 -0.420 1.00 0.25 H new ATOM 0 HE3 MET A 41 -7.340 0.294 -0.596 1.00 0.25 H new ATOM 517 N PRO A 42 -7.854 -2.952 -5.720 1.00 0.20 N ATOM 518 CA PRO A 42 -7.351 -3.130 -7.081 1.00 0.24 C ATOM 519 C PRO A 42 -5.839 -2.940 -7.166 1.00 0.21 C ATOM 520 O PRO A 42 -5.256 -2.142 -6.418 1.00 0.20 O ATOM 521 CB PRO A 42 -8.086 -2.046 -7.886 1.00 0.29 C ATOM 522 CG PRO A 42 -9.286 -1.719 -7.077 1.00 0.27 C ATOM 523 CD PRO A 42 -8.862 -1.887 -5.645 1.00 0.23 C ATOM 0 HA PRO A 42 -7.530 -4.139 -7.454 1.00 0.24 H new ATOM 0 HB2 PRO A 42 -7.457 -1.168 -8.033 1.00 0.29 H new ATOM 0 HB3 PRO A 42 -8.363 -2.409 -8.876 1.00 0.29 H new ATOM 0 HG2 PRO A 42 -9.624 -0.701 -7.270 1.00 0.27 H new ATOM 0 HG3 PRO A 42 -10.116 -2.382 -7.321 1.00 0.27 H new ATOM 0 HD2 PRO A 42 -8.446 -0.966 -5.237 1.00 0.23 H new ATOM 0 HD3 PRO A 42 -9.700 -2.169 -5.007 1.00 0.23 H new ATOM 531 N ASP A 43 -5.224 -3.683 -8.075 1.00 0.23 N ATOM 532 CA ASP A 43 -3.777 -3.634 -8.292 1.00 0.23 C ATOM 533 C ASP A 43 -3.282 -2.202 -8.486 1.00 0.22 C ATOM 534 O ASP A 43 -2.224 -1.829 -7.980 1.00 0.23 O ATOM 535 CB ASP A 43 -3.408 -4.471 -9.519 1.00 0.29 C ATOM 536 CG ASP A 43 -1.930 -4.799 -9.572 1.00 0.78 C ATOM 537 OD1 ASP A 43 -1.457 -5.536 -8.689 1.00 1.51 O ATOM 538 OD2 ASP A 43 -1.242 -4.327 -10.500 1.00 1.08 O ATOM 0 H ASP A 43 -5.711 -4.339 -8.686 1.00 0.23 H new ATOM 0 HA ASP A 43 -3.295 -4.041 -7.403 1.00 0.23 H new ATOM 0 HB2 ASP A 43 -3.983 -5.397 -9.510 1.00 0.29 H new ATOM 0 HB3 ASP A 43 -3.690 -3.930 -10.422 1.00 0.29 H new ATOM 543 N SER A 44 -4.054 -1.399 -9.217 1.00 0.23 N ATOM 544 CA SER A 44 -3.697 -0.012 -9.476 1.00 0.25 C ATOM 545 C SER A 44 -3.668 0.804 -8.187 1.00 0.23 C ATOM 546 O SER A 44 -2.713 1.539 -7.934 1.00 0.26 O ATOM 547 CB SER A 44 -4.684 0.603 -10.461 1.00 0.32 C ATOM 548 OG SER A 44 -5.793 -0.259 -10.654 1.00 0.57 O ATOM 0 H SER A 44 -4.935 -1.691 -9.641 1.00 0.23 H new ATOM 0 HA SER A 44 -2.696 0.005 -9.907 1.00 0.25 H new ATOM 0 HB2 SER A 44 -5.026 1.568 -10.088 1.00 0.32 H new ATOM 0 HB3 SER A 44 -4.189 0.788 -11.414 1.00 0.32 H new ATOM 0 HG SER A 44 -5.561 -0.949 -11.310 1.00 0.57 H new ATOM 554 N ILE A 45 -4.708 0.671 -7.369 1.00 0.21 N ATOM 555 CA ILE A 45 -4.787 1.403 -6.113 1.00 0.21 C ATOM 556 C ILE A 45 -3.679 0.963 -5.161 1.00 0.17 C ATOM 557 O ILE A 45 -3.085 1.790 -4.468 1.00 0.18 O ATOM 558 CB ILE A 45 -6.151 1.219 -5.424 1.00 0.24 C ATOM 559 CG1 ILE A 45 -7.293 1.551 -6.396 1.00 0.30 C ATOM 560 CG2 ILE A 45 -6.230 2.085 -4.172 1.00 0.25 C ATOM 561 CD1 ILE A 45 -7.355 3.012 -6.803 1.00 0.34 C ATOM 0 H ILE A 45 -5.506 0.063 -7.555 1.00 0.21 H new ATOM 0 HA ILE A 45 -4.665 2.459 -6.355 1.00 0.21 H new ATOM 0 HB ILE A 45 -6.256 0.176 -5.125 1.00 0.24 H new ATOM 0 HG12 ILE A 45 -7.183 0.940 -7.292 1.00 0.30 H new ATOM 0 HG13 ILE A 45 -8.241 1.273 -5.935 1.00 0.30 H new ATOM 0 HG21 ILE A 45 -7.200 1.946 -3.694 1.00 0.25 H new ATOM 0 HG22 ILE A 45 -5.439 1.796 -3.480 1.00 0.25 H new ATOM 0 HG23 ILE A 45 -6.108 3.133 -4.446 1.00 0.25 H new ATOM 0 HD11 ILE A 45 -8.188 3.163 -7.490 1.00 0.34 H new ATOM 0 HD12 ILE A 45 -7.498 3.631 -5.917 1.00 0.34 H new ATOM 0 HD13 ILE A 45 -6.424 3.292 -7.295 1.00 0.34 H new ATOM 573 N LEU A 46 -3.380 -0.335 -5.156 1.00 0.16 N ATOM 574 CA LEU A 46 -2.318 -0.871 -4.306 1.00 0.16 C ATOM 575 C LEU A 46 -0.981 -0.234 -4.672 1.00 0.16 C ATOM 576 O LEU A 46 -0.147 0.016 -3.811 1.00 0.19 O ATOM 577 CB LEU A 46 -2.231 -2.400 -4.441 1.00 0.18 C ATOM 578 CG LEU A 46 -3.475 -3.172 -3.989 1.00 0.18 C ATOM 579 CD1 LEU A 46 -3.485 -4.559 -4.602 1.00 0.26 C ATOM 580 CD2 LEU A 46 -3.538 -3.274 -2.476 1.00 0.19 C ATOM 0 H LEU A 46 -3.856 -1.032 -5.728 1.00 0.16 H new ATOM 0 HA LEU A 46 -2.554 -0.631 -3.269 1.00 0.16 H new ATOM 0 HB2 LEU A 46 -2.032 -2.645 -5.484 1.00 0.18 H new ATOM 0 HB3 LEU A 46 -1.376 -2.751 -3.862 1.00 0.18 H new ATOM 0 HG LEU A 46 -4.352 -2.623 -4.331 1.00 0.18 H new ATOM 0 HD11 LEU A 46 -4.374 -5.096 -4.272 1.00 0.26 H new ATOM 0 HD12 LEU A 46 -3.493 -4.476 -5.689 1.00 0.26 H new ATOM 0 HD13 LEU A 46 -2.595 -5.103 -4.286 1.00 0.26 H new ATOM 0 HD21 LEU A 46 -4.431 -3.827 -2.185 1.00 0.19 H new ATOM 0 HD22 LEU A 46 -2.654 -3.795 -2.109 1.00 0.19 H new ATOM 0 HD23 LEU A 46 -3.574 -2.273 -2.045 1.00 0.19 H new ATOM 592 N LYS A 47 -0.794 0.028 -5.963 1.00 0.17 N ATOM 593 CA LYS A 47 0.444 0.628 -6.460 1.00 0.19 C ATOM 594 C LYS A 47 0.610 2.087 -6.031 1.00 0.18 C ATOM 595 O LYS A 47 1.630 2.453 -5.442 1.00 0.20 O ATOM 596 CB LYS A 47 0.481 0.553 -7.982 1.00 0.24 C ATOM 597 CG LYS A 47 1.227 -0.660 -8.522 1.00 0.31 C ATOM 598 CD LYS A 47 1.181 -0.711 -10.039 1.00 0.44 C ATOM 599 CE LYS A 47 0.004 -1.535 -10.539 1.00 0.88 C ATOM 600 NZ LYS A 47 0.043 -1.707 -12.007 1.00 0.97 N ATOM 0 H LYS A 47 -1.486 -0.166 -6.687 1.00 0.17 H new ATOM 0 HA LYS A 47 1.265 0.059 -6.025 1.00 0.19 H new ATOM 0 HB2 LYS A 47 -0.541 0.537 -8.360 1.00 0.24 H new ATOM 0 HB3 LYS A 47 0.950 1.458 -8.369 1.00 0.24 H new ATOM 0 HG2 LYS A 47 2.264 -0.628 -8.189 1.00 0.31 H new ATOM 0 HG3 LYS A 47 0.789 -1.570 -8.113 1.00 0.31 H new ATOM 0 HD2 LYS A 47 1.110 0.302 -10.435 1.00 0.44 H new ATOM 0 HD3 LYS A 47 2.110 -1.137 -10.417 1.00 0.44 H new ATOM 0 HE2 LYS A 47 0.013 -2.513 -10.057 1.00 0.88 H new ATOM 0 HE3 LYS A 47 -0.929 -1.048 -10.254 1.00 0.88 H new ATOM 0 HZ1 LYS A 47 -0.774 -2.273 -12.312 1.00 0.97 H new ATOM 0 HZ2 LYS A 47 0.009 -0.775 -12.467 1.00 0.97 H new ATOM 0 HZ3 LYS A 47 0.922 -2.194 -12.276 1.00 0.97 H new ATOM 614 N LYS A 48 -0.378 2.921 -6.346 1.00 0.17 N ATOM 615 CA LYS A 48 -0.310 4.343 -6.014 1.00 0.18 C ATOM 616 C LYS A 48 -0.316 4.566 -4.508 1.00 0.18 C ATOM 617 O LYS A 48 0.417 5.412 -3.996 1.00 0.20 O ATOM 618 CB LYS A 48 -1.468 5.120 -6.657 1.00 0.20 C ATOM 619 CG LYS A 48 -2.756 4.321 -6.763 1.00 0.31 C ATOM 620 CD LYS A 48 -3.882 5.141 -7.359 1.00 0.32 C ATOM 621 CE LYS A 48 -4.036 4.886 -8.848 1.00 0.45 C ATOM 622 NZ LYS A 48 -4.087 6.160 -9.618 1.00 0.77 N ATOM 0 H LYS A 48 -1.231 2.639 -6.828 1.00 0.17 H new ATOM 0 HA LYS A 48 0.631 4.718 -6.416 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -1.657 6.021 -6.074 1.00 0.20 H new ATOM 0 HB3 LYS A 48 -1.168 5.443 -7.654 1.00 0.20 H new ATOM 0 HG2 LYS A 48 -2.585 3.437 -7.378 1.00 0.31 H new ATOM 0 HG3 LYS A 48 -3.047 3.969 -5.773 1.00 0.31 H new ATOM 0 HD2 LYS A 48 -4.816 4.901 -6.850 1.00 0.32 H new ATOM 0 HD3 LYS A 48 -3.690 6.200 -7.189 1.00 0.32 H new ATOM 0 HE2 LYS A 48 -3.203 4.279 -9.202 1.00 0.45 H new ATOM 0 HE3 LYS A 48 -4.946 4.314 -9.028 1.00 0.45 H new ATOM 0 HZ1 LYS A 48 -4.833 6.099 -10.341 1.00 0.77 H new ATOM 0 HZ2 LYS A 48 -4.294 6.948 -8.972 1.00 0.77 H new ATOM 0 HZ3 LYS A 48 -3.170 6.323 -10.080 1.00 0.77 H new ATOM 636 N MET A 49 -1.141 3.813 -3.800 1.00 0.17 N ATOM 637 CA MET A 49 -1.227 3.962 -2.358 1.00 0.17 C ATOM 638 C MET A 49 0.069 3.526 -1.690 1.00 0.17 C ATOM 639 O MET A 49 0.441 4.058 -0.646 1.00 0.19 O ATOM 640 CB MET A 49 -2.446 3.212 -1.808 1.00 0.17 C ATOM 641 CG MET A 49 -2.136 1.868 -1.188 1.00 0.19 C ATOM 642 SD MET A 49 -3.114 1.575 0.293 1.00 1.07 S ATOM 643 CE MET A 49 -4.590 0.822 -0.392 1.00 0.22 C ATOM 0 H MET A 49 -1.754 3.100 -4.195 1.00 0.17 H new ATOM 0 HA MET A 49 -1.366 5.017 -2.123 1.00 0.17 H new ATOM 0 HB2 MET A 49 -2.933 3.838 -1.060 1.00 0.17 H new ATOM 0 HB3 MET A 49 -3.161 3.067 -2.617 1.00 0.17 H new ATOM 0 HG2 MET A 49 -2.331 1.079 -1.914 1.00 0.19 H new ATOM 0 HG3 MET A 49 -1.076 1.818 -0.939 1.00 0.19 H new ATOM 0 HE1 MET A 49 -5.308 0.636 0.407 1.00 0.22 H new ATOM 0 HE2 MET A 49 -5.032 1.493 -1.128 1.00 0.22 H new ATOM 0 HE3 MET A 49 -4.328 -0.121 -0.872 1.00 0.22 H new ATOM 653 N ALA A 50 0.762 2.576 -2.296 1.00 0.16 N ATOM 654 CA ALA A 50 2.023 2.096 -1.748 1.00 0.17 C ATOM 655 C ALA A 50 3.143 3.108 -1.949 1.00 0.18 C ATOM 656 O ALA A 50 4.079 3.172 -1.158 1.00 0.22 O ATOM 657 CB ALA A 50 2.406 0.771 -2.384 1.00 0.19 C ATOM 0 H ALA A 50 0.476 2.123 -3.164 1.00 0.16 H new ATOM 0 HA ALA A 50 1.882 1.955 -0.676 1.00 0.17 H new ATOM 0 HB1 ALA A 50 3.351 0.425 -1.964 1.00 0.19 H new ATOM 0 HB2 ALA A 50 1.629 0.033 -2.184 1.00 0.19 H new ATOM 0 HB3 ALA A 50 2.514 0.902 -3.461 1.00 0.19 H new ATOM 663 N ALA A 51 3.052 3.885 -3.019 1.00 0.18 N ATOM 664 CA ALA A 51 4.077 4.876 -3.323 1.00 0.22 C ATOM 665 C ALA A 51 3.803 6.210 -2.645 1.00 0.24 C ATOM 666 O ALA A 51 4.710 6.852 -2.112 1.00 0.30 O ATOM 667 CB ALA A 51 4.181 5.067 -4.827 1.00 0.25 C ATOM 0 H ALA A 51 2.283 3.850 -3.689 1.00 0.18 H new ATOM 0 HA ALA A 51 5.023 4.501 -2.933 1.00 0.22 H new ATOM 0 HB1 ALA A 51 4.949 5.809 -5.047 1.00 0.25 H new ATOM 0 HB2 ALA A 51 4.446 4.120 -5.297 1.00 0.25 H new ATOM 0 HB3 ALA A 51 3.223 5.410 -5.217 1.00 0.25 H new ATOM 673 N ILE A 52 2.555 6.640 -2.668 1.00 0.24 N ATOM 674 CA ILE A 52 2.194 7.910 -2.059 1.00 0.28 C ATOM 675 C ILE A 52 2.028 7.760 -0.548 1.00 0.26 C ATOM 676 O ILE A 52 2.357 8.674 0.214 1.00 0.31 O ATOM 677 CB ILE A 52 0.894 8.466 -2.692 1.00 0.31 C ATOM 678 CG1 ILE A 52 1.209 9.218 -3.988 1.00 0.36 C ATOM 679 CG2 ILE A 52 0.146 9.378 -1.734 1.00 0.35 C ATOM 680 CD1 ILE A 52 1.202 8.335 -5.213 1.00 0.37 C ATOM 0 H ILE A 52 1.780 6.135 -3.097 1.00 0.24 H new ATOM 0 HA ILE A 52 3.002 8.618 -2.246 1.00 0.28 H new ATOM 0 HB ILE A 52 0.251 7.614 -2.916 1.00 0.31 H new ATOM 0 HG12 ILE A 52 0.480 10.017 -4.122 1.00 0.36 H new ATOM 0 HG13 ILE A 52 2.187 9.691 -3.896 1.00 0.36 H new ATOM 0 HG21 ILE A 52 -0.760 9.747 -2.215 1.00 0.35 H new ATOM 0 HG22 ILE A 52 -0.122 8.821 -0.836 1.00 0.35 H new ATOM 0 HG23 ILE A 52 0.782 10.221 -1.463 1.00 0.35 H new ATOM 0 HD11 ILE A 52 1.433 8.934 -6.094 1.00 0.37 H new ATOM 0 HD12 ILE A 52 1.951 7.551 -5.101 1.00 0.37 H new ATOM 0 HD13 ILE A 52 0.217 7.882 -5.330 1.00 0.37 H new ATOM 692 N LEU A 53 1.531 6.594 -0.138 1.00 0.21 N ATOM 693 CA LEU A 53 1.310 6.278 1.276 1.00 0.21 C ATOM 694 C LEU A 53 0.539 7.389 1.984 1.00 0.23 C ATOM 695 O LEU A 53 1.080 8.089 2.842 1.00 0.27 O ATOM 696 CB LEU A 53 2.643 5.999 1.971 1.00 0.24 C ATOM 697 CG LEU A 53 3.199 4.595 1.731 1.00 0.26 C ATOM 698 CD1 LEU A 53 4.661 4.517 2.136 1.00 0.41 C ATOM 699 CD2 LEU A 53 2.369 3.565 2.483 1.00 0.35 C ATOM 0 H LEU A 53 1.270 5.841 -0.775 1.00 0.21 H new ATOM 0 HA LEU A 53 0.698 5.378 1.331 1.00 0.21 H new ATOM 0 HB2 LEU A 53 3.376 6.730 1.631 1.00 0.24 H new ATOM 0 HB3 LEU A 53 2.518 6.149 3.043 1.00 0.24 H new ATOM 0 HG LEU A 53 3.137 4.374 0.665 1.00 0.26 H new ATOM 0 HD11 LEU A 53 5.035 3.509 1.956 1.00 0.41 H new ATOM 0 HD12 LEU A 53 5.240 5.229 1.548 1.00 0.41 H new ATOM 0 HD13 LEU A 53 4.759 4.757 3.195 1.00 0.41 H new ATOM 0 HD21 LEU A 53 2.775 2.569 2.304 1.00 0.35 H new ATOM 0 HD22 LEU A 53 2.399 3.783 3.551 1.00 0.35 H new ATOM 0 HD23 LEU A 53 1.337 3.604 2.134 1.00 0.35 H new ATOM 711 N PRO A 54 -0.745 7.564 1.629 1.00 0.24 N ATOM 712 CA PRO A 54 -1.600 8.587 2.223 1.00 0.30 C ATOM 713 C PRO A 54 -2.120 8.147 3.586 1.00 0.40 C ATOM 714 O PRO A 54 -2.807 7.132 3.706 1.00 0.48 O ATOM 715 CB PRO A 54 -2.751 8.739 1.213 1.00 0.36 C ATOM 716 CG PRO A 54 -2.479 7.759 0.110 1.00 0.25 C ATOM 717 CD PRO A 54 -1.478 6.777 0.636 1.00 0.23 C ATOM 0 HA PRO A 54 -1.071 9.523 2.400 1.00 0.30 H new ATOM 0 HB2 PRO A 54 -3.712 8.535 1.686 1.00 0.36 H new ATOM 0 HB3 PRO A 54 -2.796 9.757 0.826 1.00 0.36 H new ATOM 0 HG2 PRO A 54 -3.396 7.252 -0.191 1.00 0.25 H new ATOM 0 HG3 PRO A 54 -2.093 8.269 -0.773 1.00 0.25 H new ATOM 0 HD2 PRO A 54 -1.960 5.908 1.084 1.00 0.23 H new ATOM 0 HD3 PRO A 54 -0.822 6.407 -0.152 1.00 0.23 H new ATOM 725 N MET A 55 -1.774 8.907 4.613 1.00 0.49 N ATOM 726 CA MET A 55 -2.179 8.591 5.972 1.00 0.64 C ATOM 727 C MET A 55 -3.429 9.358 6.378 1.00 0.72 C ATOM 728 O MET A 55 -3.824 9.346 7.545 1.00 1.02 O ATOM 729 CB MET A 55 -1.046 8.933 6.935 1.00 0.80 C ATOM 730 CG MET A 55 -0.163 7.756 7.288 1.00 1.07 C ATOM 731 SD MET A 55 0.706 7.996 8.851 1.00 1.66 S ATOM 732 CE MET A 55 -0.676 8.221 9.968 1.00 1.52 C ATOM 0 H MET A 55 -1.210 9.753 4.529 1.00 0.49 H new ATOM 0 HA MET A 55 -2.404 7.525 6.014 1.00 0.64 H new ATOM 0 HB2 MET A 55 -0.430 9.716 6.492 1.00 0.80 H new ATOM 0 HB3 MET A 55 -1.472 9.342 7.851 1.00 0.80 H new ATOM 0 HG2 MET A 55 -0.771 6.853 7.348 1.00 1.07 H new ATOM 0 HG3 MET A 55 0.564 7.598 6.491 1.00 1.07 H new ATOM 0 HE1 MET A 55 -0.417 7.827 10.951 1.00 1.52 H new ATOM 0 HE2 MET A 55 -0.907 9.283 10.052 1.00 1.52 H new ATOM 0 HE3 MET A 55 -1.546 7.690 9.582 1.00 1.52 H new ATOM 742 N ASN A 56 -4.044 10.032 5.422 1.00 0.66 N ATOM 743 CA ASN A 56 -5.241 10.808 5.703 1.00 0.84 C ATOM 744 C ASN A 56 -6.122 10.915 4.474 1.00 0.69 C ATOM 745 O ASN A 56 -5.648 10.773 3.350 1.00 0.59 O ATOM 746 CB ASN A 56 -4.874 12.212 6.187 1.00 1.13 C ATOM 747 CG ASN A 56 -5.664 12.636 7.412 1.00 1.94 C ATOM 748 OD1 ASN A 56 -6.721 12.075 7.712 1.00 2.68 O ATOM 749 ND2 ASN A 56 -5.161 13.636 8.119 1.00 2.34 N ATOM 0 H ASN A 56 -3.737 10.058 4.450 1.00 0.66 H new ATOM 0 HA ASN A 56 -5.791 10.289 6.488 1.00 0.84 H new ATOM 0 HB2 ASN A 56 -3.809 12.245 6.417 1.00 1.13 H new ATOM 0 HB3 ASN A 56 -5.049 12.926 5.382 1.00 1.13 H new ATOM 0 HD21 ASN A 56 -5.651 13.971 8.948 1.00 2.34 H new ATOM 0 HD22 ASN A 56 -4.283 14.071 7.834 1.00 2.34 H new ATOM 756 N ASP A 57 -7.403 11.177 4.696 1.00 0.76 N ATOM 757 CA ASP A 57 -8.361 11.313 3.602 1.00 0.76 C ATOM 758 C ASP A 57 -8.042 12.545 2.769 1.00 0.73 C ATOM 759 O ASP A 57 -8.189 12.541 1.545 1.00 1.11 O ATOM 760 CB ASP A 57 -9.793 11.373 4.154 1.00 0.96 C ATOM 761 CG ASP A 57 -10.589 12.575 3.668 1.00 1.69 C ATOM 762 OD1 ASP A 57 -11.255 12.473 2.621 1.00 1.77 O ATOM 763 OD2 ASP A 57 -10.553 13.621 4.349 1.00 2.68 O ATOM 0 H ASP A 57 -7.805 11.300 5.625 1.00 0.76 H new ATOM 0 HA ASP A 57 -8.284 10.440 2.954 1.00 0.76 H new ATOM 0 HB2 ASP A 57 -10.320 10.462 3.871 1.00 0.96 H new ATOM 0 HB3 ASP A 57 -9.752 11.392 5.243 1.00 0.96 H new ATOM 768 N SER A 58 -7.579 13.590 3.437 1.00 0.67 N ATOM 769 CA SER A 58 -7.213 14.828 2.772 1.00 0.72 C ATOM 770 C SER A 58 -6.005 14.605 1.856 1.00 0.66 C ATOM 771 O SER A 58 -5.792 15.340 0.895 1.00 0.77 O ATOM 772 CB SER A 58 -6.892 15.885 3.829 1.00 0.87 C ATOM 773 OG SER A 58 -6.825 15.299 5.124 1.00 1.02 O ATOM 0 H SER A 58 -7.447 13.603 4.448 1.00 0.67 H new ATOM 0 HA SER A 58 -8.045 15.170 2.157 1.00 0.72 H new ATOM 0 HB2 SER A 58 -5.943 16.366 3.593 1.00 0.87 H new ATOM 0 HB3 SER A 58 -7.655 16.663 3.816 1.00 0.87 H new ATOM 0 HG SER A 58 -6.617 15.991 5.786 1.00 1.02 H new ATOM 779 N ALA A 59 -5.229 13.565 2.155 1.00 0.58 N ATOM 780 CA ALA A 59 -4.058 13.223 1.363 1.00 0.59 C ATOM 781 C ALA A 59 -4.429 12.242 0.259 1.00 0.51 C ATOM 782 O ALA A 59 -3.820 12.236 -0.808 1.00 0.59 O ATOM 783 CB ALA A 59 -2.975 12.636 2.252 1.00 0.62 C ATOM 0 H ALA A 59 -5.395 12.943 2.946 1.00 0.58 H new ATOM 0 HA ALA A 59 -3.674 14.132 0.900 1.00 0.59 H new ATOM 0 HB1 ALA A 59 -2.104 12.384 1.647 1.00 0.62 H new ATOM 0 HB2 ALA A 59 -2.691 13.366 3.010 1.00 0.62 H new ATOM 0 HB3 ALA A 59 -3.351 11.736 2.738 1.00 0.62 H new ATOM 789 N PHE A 60 -5.434 11.416 0.541 1.00 0.40 N ATOM 790 CA PHE A 60 -5.929 10.399 -0.396 1.00 0.37 C ATOM 791 C PHE A 60 -6.230 10.980 -1.776 1.00 0.42 C ATOM 792 O PHE A 60 -6.183 10.274 -2.777 1.00 0.46 O ATOM 793 CB PHE A 60 -7.185 9.733 0.168 1.00 0.33 C ATOM 794 CG PHE A 60 -6.919 8.413 0.816 1.00 0.26 C ATOM 795 CD1 PHE A 60 -5.907 7.598 0.355 1.00 0.23 C ATOM 796 CD2 PHE A 60 -7.687 7.987 1.882 1.00 0.37 C ATOM 797 CE1 PHE A 60 -5.658 6.381 0.942 1.00 0.22 C ATOM 798 CE2 PHE A 60 -7.443 6.766 2.478 1.00 0.37 C ATOM 799 CZ PHE A 60 -6.424 5.964 2.007 1.00 0.24 C ATOM 0 H PHE A 60 -5.934 11.430 1.430 1.00 0.40 H new ATOM 0 HA PHE A 60 -5.138 9.659 -0.516 1.00 0.37 H new ATOM 0 HB2 PHE A 60 -7.645 10.401 0.897 1.00 0.33 H new ATOM 0 HB3 PHE A 60 -7.906 9.595 -0.637 1.00 0.33 H new ATOM 0 HD1 PHE A 60 -5.302 7.921 -0.479 1.00 0.23 H new ATOM 0 HD2 PHE A 60 -8.485 8.614 2.252 1.00 0.37 H new ATOM 0 HE1 PHE A 60 -4.863 5.753 0.569 1.00 0.22 H new ATOM 0 HE2 PHE A 60 -8.048 6.439 3.311 1.00 0.37 H new ATOM 0 HZ PHE A 60 -6.227 5.010 2.473 1.00 0.24 H new ATOM 809 N ALA A 61 -6.543 12.268 -1.819 1.00 0.47 N ATOM 810 CA ALA A 61 -6.852 12.946 -3.072 1.00 0.56 C ATOM 811 C ALA A 61 -5.690 12.885 -4.068 1.00 0.58 C ATOM 812 O ALA A 61 -5.894 13.061 -5.265 1.00 0.64 O ATOM 813 CB ALA A 61 -7.232 14.392 -2.805 1.00 0.67 C ATOM 0 H ALA A 61 -6.590 12.868 -0.995 1.00 0.47 H new ATOM 0 HA ALA A 61 -7.695 12.423 -3.523 1.00 0.56 H new ATOM 0 HB1 ALA A 61 -7.461 14.888 -3.748 1.00 0.67 H new ATOM 0 HB2 ALA A 61 -8.107 14.424 -2.156 1.00 0.67 H new ATOM 0 HB3 ALA A 61 -6.401 14.903 -2.318 1.00 0.67 H new ATOM 819 N THR A 62 -4.471 12.649 -3.576 1.00 0.57 N ATOM 820 CA THR A 62 -3.299 12.581 -4.452 1.00 0.64 C ATOM 821 C THR A 62 -3.194 11.224 -5.146 1.00 0.53 C ATOM 822 O THR A 62 -2.305 11.000 -5.966 1.00 0.57 O ATOM 823 CB THR A 62 -1.984 12.874 -3.698 1.00 0.78 C ATOM 824 OG1 THR A 62 -1.864 12.047 -2.532 1.00 1.03 O ATOM 825 CG2 THR A 62 -1.916 14.336 -3.297 1.00 1.13 C ATOM 0 H THR A 62 -4.271 12.503 -2.587 1.00 0.57 H new ATOM 0 HA THR A 62 -3.442 13.357 -5.204 1.00 0.64 H new ATOM 0 HB THR A 62 -1.157 12.649 -4.371 1.00 0.78 H new ATOM 0 HG1 THR A 62 -2.399 12.427 -1.805 1.00 1.03 H new ATOM 0 HG21 THR A 62 -0.983 14.525 -2.767 1.00 1.13 H new ATOM 0 HG22 THR A 62 -1.959 14.960 -4.189 1.00 1.13 H new ATOM 0 HG23 THR A 62 -2.758 14.574 -2.647 1.00 1.13 H new ATOM 833 N LEU A 63 -4.122 10.321 -4.834 1.00 0.44 N ATOM 834 CA LEU A 63 -4.140 8.994 -5.450 1.00 0.40 C ATOM 835 C LEU A 63 -4.699 9.086 -6.871 1.00 0.48 C ATOM 836 O LEU A 63 -4.733 8.101 -7.606 1.00 0.68 O ATOM 837 CB LEU A 63 -4.981 8.024 -4.613 1.00 0.34 C ATOM 838 CG LEU A 63 -4.302 7.473 -3.354 1.00 0.27 C ATOM 839 CD1 LEU A 63 -5.104 6.322 -2.780 1.00 0.28 C ATOM 840 CD2 LEU A 63 -2.886 7.023 -3.663 1.00 0.27 C ATOM 0 H LEU A 63 -4.870 10.483 -4.160 1.00 0.44 H new ATOM 0 HA LEU A 63 -3.119 8.616 -5.493 1.00 0.40 H new ATOM 0 HB2 LEU A 63 -5.899 8.531 -4.316 1.00 0.34 H new ATOM 0 HB3 LEU A 63 -5.270 7.184 -5.245 1.00 0.34 H new ATOM 0 HG LEU A 63 -4.257 8.271 -2.613 1.00 0.27 H new ATOM 0 HD11 LEU A 63 -4.608 5.943 -1.887 1.00 0.28 H new ATOM 0 HD12 LEU A 63 -6.104 6.669 -2.520 1.00 0.28 H new ATOM 0 HD13 LEU A 63 -5.178 5.525 -3.520 1.00 0.28 H new ATOM 0 HD21 LEU A 63 -2.421 6.635 -2.756 1.00 0.27 H new ATOM 0 HD22 LEU A 63 -2.910 6.241 -4.421 1.00 0.27 H new ATOM 0 HD23 LEU A 63 -2.308 7.870 -4.033 1.00 0.27 H new ATOM 852 N GLY A 64 -5.118 10.286 -7.249 1.00 0.63 N ATOM 853 CA GLY A 64 -5.651 10.514 -8.570 1.00 0.76 C ATOM 854 C GLY A 64 -7.130 10.193 -8.667 1.00 0.91 C ATOM 855 O GLY A 64 -7.955 11.097 -8.815 1.00 1.61 O ATOM 0 H GLY A 64 -5.096 11.113 -6.653 1.00 0.63 H new ATOM 0 HA2 GLY A 64 -5.490 11.556 -8.847 1.00 0.76 H new ATOM 0 HA3 GLY A 64 -5.103 9.905 -9.289 1.00 0.76 H new ATOM 859 N THR A 65 -7.471 8.914 -8.615 1.00 1.22 N ATOM 860 CA THR A 65 -8.862 8.514 -8.739 1.00 1.52 C ATOM 861 C THR A 65 -9.205 7.260 -7.935 1.00 1.28 C ATOM 862 O THR A 65 -8.999 6.139 -8.400 1.00 1.56 O ATOM 863 CB THR A 65 -9.209 8.260 -10.214 1.00 2.09 C ATOM 864 OG1 THR A 65 -8.000 8.201 -11.004 1.00 2.14 O ATOM 865 CG2 THR A 65 -10.142 9.342 -10.759 1.00 2.55 C ATOM 0 H THR A 65 -6.812 8.145 -8.489 1.00 1.22 H new ATOM 0 HA THR A 65 -9.450 9.338 -8.335 1.00 1.52 H new ATOM 0 HB THR A 65 -9.728 7.304 -10.280 1.00 2.09 H new ATOM 0 HG1 THR A 65 -8.230 8.037 -11.942 1.00 2.14 H new ATOM 0 HG21 THR A 65 -10.369 9.134 -11.805 1.00 2.55 H new ATOM 0 HG22 THR A 65 -11.067 9.350 -10.182 1.00 2.55 H new ATOM 0 HG23 THR A 65 -9.657 10.315 -10.680 1.00 2.55 H new ATOM 873 N VAL A 66 -9.783 7.442 -6.760 1.00 0.89 N ATOM 874 CA VAL A 66 -10.209 6.304 -5.963 1.00 0.69 C ATOM 875 C VAL A 66 -11.714 6.350 -5.813 1.00 0.68 C ATOM 876 O VAL A 66 -12.271 7.340 -5.337 1.00 0.72 O ATOM 877 CB VAL A 66 -9.553 6.213 -4.566 1.00 0.50 C ATOM 878 CG1 VAL A 66 -8.116 5.739 -4.674 1.00 0.58 C ATOM 879 CG2 VAL A 66 -9.633 7.526 -3.801 1.00 0.58 C ATOM 0 H VAL A 66 -9.966 8.354 -6.341 1.00 0.89 H new ATOM 0 HA VAL A 66 -9.882 5.413 -6.499 1.00 0.69 H new ATOM 0 HB VAL A 66 -10.121 5.478 -3.996 1.00 0.50 H new ATOM 0 HG11 VAL A 66 -7.676 5.683 -3.679 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -8.092 4.753 -5.137 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -7.546 6.440 -5.284 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -9.158 7.409 -2.827 1.00 0.58 H new ATOM 0 HG22 VAL A 66 -9.120 8.306 -4.363 1.00 0.58 H new ATOM 0 HG23 VAL A 66 -10.678 7.804 -3.664 1.00 0.58 H new ATOM 889 N GLU A 67 -12.373 5.291 -6.258 1.00 0.72 N ATOM 890 CA GLU A 67 -13.824 5.211 -6.197 1.00 0.79 C ATOM 891 C GLU A 67 -14.313 5.432 -4.772 1.00 0.63 C ATOM 892 O GLU A 67 -13.611 5.106 -3.811 1.00 0.49 O ATOM 893 CB GLU A 67 -14.294 3.845 -6.685 1.00 0.94 C ATOM 894 CG GLU A 67 -15.262 3.905 -7.849 1.00 1.19 C ATOM 895 CD GLU A 67 -16.675 4.268 -7.428 1.00 1.70 C ATOM 896 OE1 GLU A 67 -17.000 4.142 -6.228 1.00 2.42 O ATOM 897 OE2 GLU A 67 -17.470 4.690 -8.296 1.00 2.16 O ATOM 0 H GLU A 67 -11.923 4.472 -6.667 1.00 0.72 H new ATOM 0 HA GLU A 67 -14.236 5.989 -6.839 1.00 0.79 H new ATOM 0 HB2 GLU A 67 -13.425 3.257 -6.979 1.00 0.94 H new ATOM 0 HB3 GLU A 67 -14.770 3.319 -5.857 1.00 0.94 H new ATOM 0 HG2 GLU A 67 -14.905 4.637 -8.574 1.00 1.19 H new ATOM 0 HG3 GLU A 67 -15.276 2.939 -8.353 1.00 1.19 H new ATOM 904 N ASP A 68 -15.517 5.957 -4.628 1.00 0.71 N ATOM 905 CA ASP A 68 -16.080 6.187 -3.307 1.00 0.67 C ATOM 906 C ASP A 68 -16.200 4.865 -2.560 1.00 0.54 C ATOM 907 O ASP A 68 -16.021 4.806 -1.338 1.00 0.55 O ATOM 908 CB ASP A 68 -17.435 6.877 -3.407 1.00 0.85 C ATOM 909 CG ASP A 68 -17.805 7.591 -2.125 1.00 1.26 C ATOM 910 OD1 ASP A 68 -17.206 8.656 -1.835 1.00 1.72 O ATOM 911 OD2 ASP A 68 -18.688 7.090 -1.398 1.00 1.61 O ATOM 0 H ASP A 68 -16.121 6.231 -5.403 1.00 0.71 H new ATOM 0 HA ASP A 68 -15.413 6.846 -2.751 1.00 0.67 H new ATOM 0 HB2 ASP A 68 -17.417 7.593 -4.228 1.00 0.85 H new ATOM 0 HB3 ASP A 68 -18.201 6.139 -3.645 1.00 0.85 H new ATOM 916 N LYS A 69 -16.465 3.796 -3.315 1.00 0.55 N ATOM 917 CA LYS A 69 -16.573 2.461 -2.736 1.00 0.58 C ATOM 918 C LYS A 69 -15.197 1.982 -2.294 1.00 0.51 C ATOM 919 O LYS A 69 -15.070 1.193 -1.356 1.00 0.60 O ATOM 920 CB LYS A 69 -17.197 1.472 -3.734 1.00 0.71 C ATOM 921 CG LYS A 69 -16.267 1.032 -4.862 1.00 0.82 C ATOM 922 CD LYS A 69 -17.029 0.767 -6.157 1.00 1.15 C ATOM 923 CE LYS A 69 -17.938 -0.444 -6.030 1.00 1.53 C ATOM 924 NZ LYS A 69 -17.626 -1.478 -7.054 1.00 1.97 N ATOM 0 H LYS A 69 -16.608 3.832 -4.324 1.00 0.55 H new ATOM 0 HA LYS A 69 -17.230 2.510 -1.868 1.00 0.58 H new ATOM 0 HB2 LYS A 69 -17.529 0.588 -3.189 1.00 0.71 H new ATOM 0 HB3 LYS A 69 -18.085 1.929 -4.171 1.00 0.71 H new ATOM 0 HG2 LYS A 69 -15.515 1.802 -5.034 1.00 0.82 H new ATOM 0 HG3 LYS A 69 -15.735 0.129 -4.563 1.00 0.82 H new ATOM 0 HD2 LYS A 69 -17.623 1.643 -6.417 1.00 1.15 H new ATOM 0 HD3 LYS A 69 -16.321 0.609 -6.971 1.00 1.15 H new ATOM 0 HE2 LYS A 69 -17.833 -0.875 -5.034 1.00 1.53 H new ATOM 0 HE3 LYS A 69 -18.977 -0.131 -6.134 1.00 1.53 H new ATOM 0 HZ1 LYS A 69 -18.267 -2.289 -6.935 1.00 1.97 H new ATOM 0 HZ2 LYS A 69 -17.751 -1.074 -8.004 1.00 1.97 H new ATOM 0 HZ3 LYS A 69 -16.642 -1.795 -6.939 1.00 1.97 H new ATOM 938 N TYR A 70 -14.166 2.495 -2.962 1.00 0.43 N ATOM 939 CA TYR A 70 -12.789 2.153 -2.638 1.00 0.39 C ATOM 940 C TYR A 70 -12.373 2.893 -1.373 1.00 0.33 C ATOM 941 O TYR A 70 -11.617 2.375 -0.553 1.00 0.34 O ATOM 942 CB TYR A 70 -11.853 2.523 -3.800 1.00 0.47 C ATOM 943 CG TYR A 70 -11.981 1.630 -5.012 1.00 0.60 C ATOM 944 CD1 TYR A 70 -12.710 0.451 -4.960 1.00 1.05 C ATOM 945 CD2 TYR A 70 -11.369 1.969 -6.212 1.00 1.18 C ATOM 946 CE1 TYR A 70 -12.828 -0.365 -6.061 1.00 1.16 C ATOM 947 CE2 TYR A 70 -11.480 1.154 -7.323 1.00 1.29 C ATOM 948 CZ TYR A 70 -12.213 -0.013 -7.242 1.00 0.94 C ATOM 949 OH TYR A 70 -12.324 -0.838 -8.341 1.00 1.11 O ATOM 0 H TYR A 70 -14.263 3.153 -3.735 1.00 0.43 H new ATOM 0 HA TYR A 70 -12.717 1.078 -2.472 1.00 0.39 H new ATOM 0 HB2 TYR A 70 -12.054 3.552 -4.099 1.00 0.47 H new ATOM 0 HB3 TYR A 70 -10.823 2.489 -3.446 1.00 0.47 H new ATOM 0 HD1 TYR A 70 -13.194 0.168 -4.037 1.00 1.05 H new ATOM 0 HD2 TYR A 70 -10.798 2.883 -6.278 1.00 1.18 H new ATOM 0 HE1 TYR A 70 -13.401 -1.278 -6.000 1.00 1.16 H new ATOM 0 HE2 TYR A 70 -10.996 1.429 -8.249 1.00 1.29 H new ATOM 0 HH TYR A 70 -11.834 -0.447 -9.094 1.00 1.11 H new ATOM 959 N ARG A 71 -12.895 4.107 -1.224 1.00 0.37 N ATOM 960 CA ARG A 71 -12.616 4.947 -0.067 1.00 0.46 C ATOM 961 C ARG A 71 -13.161 4.317 1.218 1.00 0.52 C ATOM 962 O ARG A 71 -12.592 4.494 2.294 1.00 0.59 O ATOM 963 CB ARG A 71 -13.219 6.335 -0.267 1.00 0.60 C ATOM 964 CG ARG A 71 -12.311 7.472 0.183 1.00 0.81 C ATOM 965 CD ARG A 71 -12.222 8.566 -0.867 1.00 0.97 C ATOM 966 NE ARG A 71 -13.536 8.913 -1.402 1.00 1.39 N ATOM 967 CZ ARG A 71 -13.736 9.749 -2.421 1.00 1.96 C ATOM 968 NH1 ARG A 71 -12.710 10.381 -2.978 1.00 2.55 N ATOM 969 NH2 ARG A 71 -14.971 9.963 -2.874 1.00 2.53 N ATOM 0 H ARG A 71 -13.524 4.535 -1.904 1.00 0.37 H new ATOM 0 HA ARG A 71 -11.534 5.037 0.032 1.00 0.46 H new ATOM 0 HB2 ARG A 71 -13.457 6.469 -1.322 1.00 0.60 H new ATOM 0 HB3 ARG A 71 -14.159 6.395 0.282 1.00 0.60 H new ATOM 0 HG2 ARG A 71 -12.688 7.892 1.116 1.00 0.81 H new ATOM 0 HG3 ARG A 71 -11.314 7.082 0.389 1.00 0.81 H new ATOM 0 HD2 ARG A 71 -11.762 9.452 -0.430 1.00 0.97 H new ATOM 0 HD3 ARG A 71 -11.574 8.238 -1.680 1.00 0.97 H new ATOM 0 HE ARG A 71 -14.355 8.488 -0.967 1.00 1.39 H new ATOM 0 HH11 ARG A 71 -11.765 10.228 -2.626 1.00 2.55 H new ATOM 0 HH12 ARG A 71 -12.867 11.020 -3.758 1.00 2.55 H new ATOM 0 HH21 ARG A 71 -15.763 9.487 -2.441 1.00 2.53 H new ATOM 0 HH22 ARG A 71 -15.125 10.603 -3.654 1.00 2.53 H new ATOM 983 N ARG A 72 -14.275 3.605 1.101 1.00 0.57 N ATOM 984 CA ARG A 72 -14.910 2.961 2.253 1.00 0.72 C ATOM 985 C ARG A 72 -14.016 1.892 2.869 1.00 0.68 C ATOM 986 O ARG A 72 -13.555 2.037 4.000 1.00 0.82 O ATOM 987 CB ARG A 72 -16.239 2.318 1.856 1.00 0.87 C ATOM 988 CG ARG A 72 -17.298 3.304 1.421 1.00 1.22 C ATOM 989 CD ARG A 72 -18.316 2.618 0.538 1.00 1.78 C ATOM 990 NE ARG A 72 -19.457 2.121 1.307 1.00 2.63 N ATOM 991 CZ ARG A 72 -19.746 0.830 1.477 1.00 3.47 C ATOM 992 NH1 ARG A 72 -19.012 -0.106 0.887 1.00 3.77 N ATOM 993 NH2 ARG A 72 -20.786 0.479 2.228 1.00 4.38 N ATOM 0 H ARG A 72 -14.762 3.456 0.217 1.00 0.57 H new ATOM 0 HA ARG A 72 -15.083 3.745 2.990 1.00 0.72 H new ATOM 0 HB2 ARG A 72 -16.060 1.612 1.045 1.00 0.87 H new ATOM 0 HB3 ARG A 72 -16.619 1.743 2.701 1.00 0.87 H new ATOM 0 HG2 ARG A 72 -17.791 3.729 2.295 1.00 1.22 H new ATOM 0 HG3 ARG A 72 -16.836 4.131 0.882 1.00 1.22 H new ATOM 0 HD2 ARG A 72 -18.667 3.316 -0.222 1.00 1.78 H new ATOM 0 HD3 ARG A 72 -17.842 1.788 0.014 1.00 1.78 H new ATOM 0 HE ARG A 72 -20.073 2.808 1.742 1.00 2.63 H new ATOM 0 HH11 ARG A 72 -18.222 0.160 0.300 1.00 3.77 H new ATOM 0 HH12 ARG A 72 -19.238 -1.091 1.021 1.00 3.77 H new ATOM 0 HH21 ARG A 72 -21.360 1.196 2.672 1.00 4.38 H new ATOM 0 HH22 ARG A 72 -21.010 -0.507 2.360 1.00 4.38 H new ATOM 1007 N ARG A 73 -13.796 0.805 2.131 1.00 0.63 N ATOM 1008 CA ARG A 73 -12.978 -0.312 2.621 1.00 0.70 C ATOM 1009 C ARG A 73 -11.524 0.101 2.842 1.00 0.53 C ATOM 1010 O ARG A 73 -10.723 -0.657 3.394 1.00 0.59 O ATOM 1011 CB ARG A 73 -13.101 -1.525 1.681 1.00 0.88 C ATOM 1012 CG ARG A 73 -11.993 -1.667 0.648 1.00 0.59 C ATOM 1013 CD ARG A 73 -12.294 -0.840 -0.585 1.00 0.71 C ATOM 1014 NE ARG A 73 -13.584 -1.177 -1.197 1.00 1.08 N ATOM 1015 CZ ARG A 73 -13.745 -2.072 -2.171 1.00 0.92 C ATOM 1016 NH1 ARG A 73 -12.720 -2.774 -2.616 1.00 1.42 N ATOM 1017 NH2 ARG A 73 -14.947 -2.270 -2.698 1.00 1.44 N ATOM 0 H ARG A 73 -14.171 0.671 1.192 1.00 0.63 H new ATOM 0 HA ARG A 73 -13.362 -0.609 3.597 1.00 0.70 H new ATOM 0 HB2 ARG A 73 -13.128 -2.431 2.287 1.00 0.88 H new ATOM 0 HB3 ARG A 73 -14.056 -1.463 1.158 1.00 0.88 H new ATOM 0 HG2 ARG A 73 -11.044 -1.350 1.081 1.00 0.59 H new ATOM 0 HG3 ARG A 73 -11.882 -2.715 0.370 1.00 0.59 H new ATOM 0 HD2 ARG A 73 -12.289 0.217 -0.318 1.00 0.71 H new ATOM 0 HD3 ARG A 73 -11.500 -0.987 -1.318 1.00 0.71 H new ATOM 0 HE ARG A 73 -14.414 -0.693 -0.854 1.00 1.08 H new ATOM 0 HH11 ARG A 73 -11.793 -2.634 -2.214 1.00 1.42 H new ATOM 0 HH12 ARG A 73 -12.855 -3.456 -3.362 1.00 1.42 H new ATOM 0 HH21 ARG A 73 -15.747 -1.737 -2.357 1.00 1.44 H new ATOM 0 HH22 ARG A 73 -15.070 -2.955 -3.444 1.00 1.44 H new ATOM 1031 N PHE A 74 -11.224 1.332 2.455 1.00 0.36 N ATOM 1032 CA PHE A 74 -9.894 1.916 2.642 1.00 0.26 C ATOM 1033 C PHE A 74 -9.519 1.908 4.129 1.00 0.22 C ATOM 1034 O PHE A 74 -8.355 1.727 4.492 1.00 0.30 O ATOM 1035 CB PHE A 74 -9.871 3.353 2.131 1.00 0.27 C ATOM 1036 CG PHE A 74 -8.883 3.586 1.023 1.00 0.25 C ATOM 1037 CD1 PHE A 74 -7.649 2.956 1.029 1.00 0.28 C ATOM 1038 CD2 PHE A 74 -9.179 4.448 -0.021 1.00 0.29 C ATOM 1039 CE1 PHE A 74 -6.736 3.180 0.017 1.00 0.31 C ATOM 1040 CE2 PHE A 74 -8.266 4.674 -1.032 1.00 0.32 C ATOM 1041 CZ PHE A 74 -7.045 4.040 -1.012 1.00 0.30 C ATOM 0 H PHE A 74 -11.891 1.957 2.003 1.00 0.36 H new ATOM 0 HA PHE A 74 -9.175 1.320 2.080 1.00 0.26 H new ATOM 0 HB2 PHE A 74 -10.867 3.620 1.779 1.00 0.27 H new ATOM 0 HB3 PHE A 74 -9.637 4.020 2.961 1.00 0.27 H new ATOM 0 HD1 PHE A 74 -7.398 2.282 1.835 1.00 0.28 H new ATOM 0 HD2 PHE A 74 -10.135 4.949 -0.044 1.00 0.29 H new ATOM 0 HE1 PHE A 74 -5.779 2.680 0.033 1.00 0.31 H new ATOM 0 HE2 PHE A 74 -8.510 5.349 -1.839 1.00 0.32 H new ATOM 0 HZ PHE A 74 -6.330 4.217 -1.802 1.00 0.30 H new ATOM 1051 N LYS A 75 -10.535 2.112 4.967 1.00 0.23 N ATOM 1052 CA LYS A 75 -10.392 2.144 6.426 1.00 0.30 C ATOM 1053 C LYS A 75 -9.740 0.876 6.981 1.00 0.28 C ATOM 1054 O LYS A 75 -9.167 0.898 8.068 1.00 0.37 O ATOM 1055 CB LYS A 75 -11.772 2.317 7.069 1.00 0.41 C ATOM 1056 CG LYS A 75 -12.727 1.165 6.794 1.00 0.37 C ATOM 1057 CD LYS A 75 -14.004 1.319 7.596 1.00 0.82 C ATOM 1058 CE LYS A 75 -15.053 2.079 6.808 1.00 1.28 C ATOM 1059 NZ LYS A 75 -16.218 2.451 7.643 1.00 1.72 N ATOM 0 H LYS A 75 -11.493 2.262 4.650 1.00 0.23 H new ATOM 0 HA LYS A 75 -9.741 2.984 6.668 1.00 0.30 H new ATOM 0 HB2 LYS A 75 -11.649 2.425 8.147 1.00 0.41 H new ATOM 0 HB3 LYS A 75 -12.219 3.242 6.704 1.00 0.41 H new ATOM 0 HG2 LYS A 75 -12.963 1.129 5.730 1.00 0.37 H new ATOM 0 HG3 LYS A 75 -12.246 0.220 7.046 1.00 0.37 H new ATOM 0 HD2 LYS A 75 -14.389 0.336 7.866 1.00 0.82 H new ATOM 0 HD3 LYS A 75 -13.792 1.845 8.527 1.00 0.82 H new ATOM 0 HE2 LYS A 75 -14.607 2.980 6.387 1.00 1.28 H new ATOM 0 HE3 LYS A 75 -15.389 1.468 5.970 1.00 1.28 H new ATOM 0 HZ1 LYS A 75 -16.909 2.968 7.064 1.00 1.72 H new ATOM 0 HZ2 LYS A 75 -16.661 1.591 8.024 1.00 1.72 H new ATOM 0 HZ3 LYS A 75 -15.903 3.056 8.429 1.00 1.72 H new ATOM 1073 N TYR A 76 -9.831 -0.225 6.252 1.00 0.21 N ATOM 1074 CA TYR A 76 -9.258 -1.483 6.711 1.00 0.22 C ATOM 1075 C TYR A 76 -7.770 -1.575 6.383 1.00 0.20 C ATOM 1076 O TYR A 76 -7.097 -2.529 6.767 1.00 0.23 O ATOM 1077 CB TYR A 76 -10.006 -2.654 6.083 1.00 0.24 C ATOM 1078 CG TYR A 76 -11.489 -2.675 6.407 1.00 0.40 C ATOM 1079 CD1 TYR A 76 -11.930 -2.658 7.727 1.00 0.74 C ATOM 1080 CD2 TYR A 76 -12.448 -2.716 5.399 1.00 0.44 C ATOM 1081 CE1 TYR A 76 -13.279 -2.682 8.033 1.00 0.92 C ATOM 1082 CE2 TYR A 76 -13.801 -2.740 5.700 1.00 0.61 C ATOM 1083 CZ TYR A 76 -14.208 -2.723 7.017 1.00 0.79 C ATOM 1084 OH TYR A 76 -15.555 -2.753 7.321 1.00 0.99 O ATOM 0 H TYR A 76 -10.294 -0.275 5.344 1.00 0.21 H new ATOM 0 HA TYR A 76 -9.363 -1.524 7.795 1.00 0.22 H new ATOM 0 HB2 TYR A 76 -9.880 -2.616 5.001 1.00 0.24 H new ATOM 0 HB3 TYR A 76 -9.555 -3.586 6.424 1.00 0.24 H new ATOM 0 HD1 TYR A 76 -11.206 -2.625 8.527 1.00 0.74 H new ATOM 0 HD2 TYR A 76 -12.133 -2.729 4.366 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -13.602 -2.669 9.063 1.00 0.92 H new ATOM 0 HE2 TYR A 76 -14.533 -2.772 4.906 1.00 0.61 H new ATOM 0 HH TYR A 76 -16.077 -2.779 6.492 1.00 0.99 H new ATOM 1094 N PHE A 77 -7.270 -0.593 5.653 1.00 0.18 N ATOM 1095 CA PHE A 77 -5.869 -0.575 5.256 1.00 0.21 C ATOM 1096 C PHE A 77 -5.078 0.481 6.019 1.00 0.24 C ATOM 1097 O PHE A 77 -3.844 0.471 6.011 1.00 0.27 O ATOM 1098 CB PHE A 77 -5.767 -0.262 3.767 1.00 0.20 C ATOM 1099 CG PHE A 77 -5.652 -1.464 2.882 1.00 0.16 C ATOM 1100 CD1 PHE A 77 -4.707 -2.449 3.127 1.00 0.17 C ATOM 1101 CD2 PHE A 77 -6.483 -1.597 1.788 1.00 0.22 C ATOM 1102 CE1 PHE A 77 -4.605 -3.542 2.294 1.00 0.19 C ATOM 1103 CE2 PHE A 77 -6.382 -2.686 0.953 1.00 0.26 C ATOM 1104 CZ PHE A 77 -5.442 -3.661 1.206 1.00 0.24 C ATOM 0 H PHE A 77 -7.813 0.204 5.322 1.00 0.18 H new ATOM 0 HA PHE A 77 -5.452 -1.557 5.481 1.00 0.21 H new ATOM 0 HB2 PHE A 77 -6.646 0.309 3.469 1.00 0.20 H new ATOM 0 HB3 PHE A 77 -4.900 0.378 3.603 1.00 0.20 H new ATOM 0 HD1 PHE A 77 -4.046 -2.359 3.977 1.00 0.17 H new ATOM 0 HD2 PHE A 77 -7.222 -0.836 1.585 1.00 0.22 H new ATOM 0 HE1 PHE A 77 -3.868 -4.306 2.494 1.00 0.19 H new ATOM 0 HE2 PHE A 77 -7.039 -2.776 0.100 1.00 0.26 H new ATOM 0 HZ PHE A 77 -5.361 -4.517 0.553 1.00 0.24 H new ATOM 1114 N LYS A 78 -5.798 1.402 6.651 1.00 0.27 N ATOM 1115 CA LYS A 78 -5.192 2.519 7.389 1.00 0.34 C ATOM 1116 C LYS A 78 -4.120 2.074 8.397 1.00 0.37 C ATOM 1117 O LYS A 78 -3.123 2.772 8.574 1.00 0.42 O ATOM 1118 CB LYS A 78 -6.282 3.317 8.115 1.00 0.43 C ATOM 1119 CG LYS A 78 -6.169 4.824 7.922 1.00 0.68 C ATOM 1120 CD LYS A 78 -6.947 5.283 6.696 1.00 0.82 C ATOM 1121 CE LYS A 78 -8.427 5.470 7.011 1.00 0.98 C ATOM 1122 NZ LYS A 78 -8.725 6.834 7.525 1.00 1.37 N ATOM 0 H LYS A 78 -6.818 1.401 6.670 1.00 0.27 H new ATOM 0 HA LYS A 78 -4.690 3.143 6.650 1.00 0.34 H new ATOM 0 HB2 LYS A 78 -7.259 2.987 7.761 1.00 0.43 H new ATOM 0 HB3 LYS A 78 -6.236 3.092 9.180 1.00 0.43 H new ATOM 0 HG2 LYS A 78 -6.546 5.336 8.808 1.00 0.68 H new ATOM 0 HG3 LYS A 78 -5.120 5.102 7.815 1.00 0.68 H new ATOM 0 HD2 LYS A 78 -6.531 6.221 6.330 1.00 0.82 H new ATOM 0 HD3 LYS A 78 -6.834 4.551 5.897 1.00 0.82 H new ATOM 0 HE2 LYS A 78 -9.014 5.287 6.111 1.00 0.98 H new ATOM 0 HE3 LYS A 78 -8.736 4.730 7.749 1.00 0.98 H new ATOM 0 HZ1 LYS A 78 -9.742 6.915 7.725 1.00 1.37 H new ATOM 0 HZ2 LYS A 78 -8.186 7.001 8.398 1.00 1.37 H new ATOM 0 HZ3 LYS A 78 -8.456 7.541 6.811 1.00 1.37 H new ATOM 1136 N ALA A 79 -4.317 0.935 9.049 1.00 0.37 N ATOM 1137 CA ALA A 79 -3.353 0.446 10.032 1.00 0.46 C ATOM 1138 C ALA A 79 -2.026 0.058 9.377 1.00 0.41 C ATOM 1139 O ALA A 79 -0.959 0.199 9.981 1.00 0.49 O ATOM 1140 CB ALA A 79 -3.928 -0.723 10.815 1.00 0.56 C ATOM 0 H ALA A 79 -5.130 0.334 8.917 1.00 0.37 H new ATOM 0 HA ALA A 79 -3.151 1.262 10.726 1.00 0.46 H new ATOM 0 HB1 ALA A 79 -3.193 -1.071 11.541 1.00 0.56 H new ATOM 0 HB2 ALA A 79 -4.830 -0.403 11.336 1.00 0.56 H new ATOM 0 HB3 ALA A 79 -4.173 -1.534 10.130 1.00 0.56 H new ATOM 1146 N THR A 80 -2.092 -0.424 8.144 1.00 0.31 N ATOM 1147 CA THR A 80 -0.894 -0.818 7.422 1.00 0.30 C ATOM 1148 C THR A 80 -0.276 0.374 6.690 1.00 0.24 C ATOM 1149 O THR A 80 0.943 0.561 6.719 1.00 0.27 O ATOM 1150 CB THR A 80 -1.193 -1.953 6.422 1.00 0.36 C ATOM 1151 OG1 THR A 80 -2.127 -2.873 6.998 1.00 0.53 O ATOM 1152 CG2 THR A 80 0.077 -2.700 6.046 1.00 0.46 C ATOM 0 H THR A 80 -2.961 -0.551 7.625 1.00 0.31 H new ATOM 0 HA THR A 80 -0.178 -1.185 8.157 1.00 0.30 H new ATOM 0 HB THR A 80 -1.615 -1.507 5.521 1.00 0.36 H new ATOM 0 HG1 THR A 80 -1.871 -3.789 6.762 1.00 0.53 H new ATOM 0 HG21 THR A 80 -0.164 -3.495 5.340 1.00 0.46 H new ATOM 0 HG22 THR A 80 0.784 -2.008 5.587 1.00 0.46 H new ATOM 0 HG23 THR A 80 0.523 -3.133 6.941 1.00 0.46 H new ATOM 1160 N ILE A 81 -1.120 1.183 6.046 1.00 0.21 N ATOM 1161 CA ILE A 81 -0.644 2.361 5.313 1.00 0.24 C ATOM 1162 C ILE A 81 0.085 3.323 6.250 1.00 0.28 C ATOM 1163 O ILE A 81 1.139 3.859 5.908 1.00 0.34 O ATOM 1164 CB ILE A 81 -1.796 3.123 4.617 1.00 0.30 C ATOM 1165 CG1 ILE A 81 -2.643 2.180 3.762 1.00 0.37 C ATOM 1166 CG2 ILE A 81 -1.251 4.255 3.746 1.00 0.34 C ATOM 1167 CD1 ILE A 81 -3.969 2.783 3.377 1.00 0.55 C ATOM 0 H ILE A 81 -2.130 1.047 6.016 1.00 0.21 H new ATOM 0 HA ILE A 81 0.039 1.993 4.548 1.00 0.24 H new ATOM 0 HB ILE A 81 -2.426 3.548 5.399 1.00 0.30 H new ATOM 0 HG12 ILE A 81 -2.091 1.919 2.859 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.814 1.254 4.310 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -2.080 4.776 3.267 1.00 0.34 H new ATOM 0 HG22 ILE A 81 -0.692 4.955 4.367 1.00 0.34 H new ATOM 0 HG23 ILE A 81 -0.592 3.842 2.982 1.00 0.34 H new ATOM 0 HD11 ILE A 81 -4.530 2.072 2.771 1.00 0.55 H new ATOM 0 HD12 ILE A 81 -4.536 3.019 4.277 1.00 0.55 H new ATOM 0 HD13 ILE A 81 -3.801 3.695 2.804 1.00 0.55 H new ATOM 1179 N ALA A 82 -0.477 3.526 7.437 1.00 0.31 N ATOM 1180 CA ALA A 82 0.118 4.420 8.428 1.00 0.39 C ATOM 1181 C ALA A 82 1.489 3.937 8.860 1.00 0.41 C ATOM 1182 O ALA A 82 2.401 4.736 9.062 1.00 0.53 O ATOM 1183 CB ALA A 82 -0.792 4.550 9.636 1.00 0.46 C ATOM 0 H ALA A 82 -1.345 3.083 7.738 1.00 0.31 H new ATOM 0 HA ALA A 82 0.237 5.398 7.962 1.00 0.39 H new ATOM 0 HB1 ALA A 82 -0.335 5.219 10.365 1.00 0.46 H new ATOM 0 HB2 ALA A 82 -1.755 4.956 9.324 1.00 0.46 H new ATOM 0 HB3 ALA A 82 -0.941 3.569 10.087 1.00 0.46 H new ATOM 1189 N ASP A 83 1.622 2.621 9.002 1.00 0.37 N ATOM 1190 CA ASP A 83 2.883 2.012 9.420 1.00 0.42 C ATOM 1191 C ASP A 83 3.950 2.139 8.335 1.00 0.39 C ATOM 1192 O ASP A 83 5.089 2.521 8.606 1.00 0.46 O ATOM 1193 CB ASP A 83 2.664 0.534 9.756 1.00 0.47 C ATOM 1194 CG ASP A 83 3.343 0.127 11.045 1.00 0.80 C ATOM 1195 OD1 ASP A 83 4.561 -0.133 11.022 1.00 1.40 O ATOM 1196 OD2 ASP A 83 2.657 0.063 12.090 1.00 1.37 O ATOM 0 H ASP A 83 0.870 1.953 8.833 1.00 0.37 H new ATOM 0 HA ASP A 83 3.233 2.542 10.306 1.00 0.42 H new ATOM 0 HB2 ASP A 83 1.595 0.337 9.834 1.00 0.47 H new ATOM 0 HB3 ASP A 83 3.043 -0.081 8.940 1.00 0.47 H new ATOM 1201 N LEU A 84 3.578 1.818 7.099 1.00 0.32 N ATOM 1202 CA LEU A 84 4.520 1.888 5.983 1.00 0.31 C ATOM 1203 C LEU A 84 4.874 3.331 5.639 1.00 0.35 C ATOM 1204 O LEU A 84 5.992 3.613 5.209 1.00 0.42 O ATOM 1205 CB LEU A 84 3.961 1.159 4.764 1.00 0.29 C ATOM 1206 CG LEU A 84 3.629 -0.313 5.004 1.00 0.36 C ATOM 1207 CD1 LEU A 84 2.416 -0.715 4.190 1.00 0.40 C ATOM 1208 CD2 LEU A 84 4.822 -1.193 4.658 1.00 0.48 C ATOM 0 H LEU A 84 2.640 1.509 6.845 1.00 0.32 H new ATOM 0 HA LEU A 84 5.440 1.391 6.291 1.00 0.31 H new ATOM 0 HB2 LEU A 84 3.059 1.672 4.431 1.00 0.29 H new ATOM 0 HB3 LEU A 84 4.685 1.228 3.952 1.00 0.29 H new ATOM 0 HG LEU A 84 3.399 -0.451 6.061 1.00 0.36 H new ATOM 0 HD11 LEU A 84 2.189 -1.766 4.369 1.00 0.40 H new ATOM 0 HD12 LEU A 84 1.562 -0.104 4.484 1.00 0.40 H new ATOM 0 HD13 LEU A 84 2.623 -0.564 3.130 1.00 0.40 H new ATOM 0 HD21 LEU A 84 4.567 -2.238 4.835 1.00 0.48 H new ATOM 0 HD22 LEU A 84 5.083 -1.056 3.609 1.00 0.48 H new ATOM 0 HD23 LEU A 84 5.672 -0.916 5.282 1.00 0.48 H new ATOM 1220 N SER A 85 3.939 4.251 5.865 1.00 0.37 N ATOM 1221 CA SER A 85 4.183 5.665 5.603 1.00 0.50 C ATOM 1222 C SER A 85 5.153 6.218 6.644 1.00 0.61 C ATOM 1223 O SER A 85 5.937 7.131 6.372 1.00 0.73 O ATOM 1224 CB SER A 85 2.868 6.444 5.610 1.00 0.57 C ATOM 1225 OG SER A 85 3.020 7.731 5.037 1.00 1.37 O ATOM 0 H SER A 85 3.009 4.043 6.228 1.00 0.37 H new ATOM 0 HA SER A 85 4.630 5.776 4.615 1.00 0.50 H new ATOM 0 HB2 SER A 85 2.111 5.886 5.058 1.00 0.57 H new ATOM 0 HB3 SER A 85 2.508 6.541 6.634 1.00 0.57 H new ATOM 0 HG SER A 85 2.343 7.861 4.340 1.00 1.37 H new ATOM 1231 N LYS A 86 5.108 5.630 7.836 1.00 0.60 N ATOM 1232 CA LYS A 86 5.993 6.027 8.923 1.00 0.74 C ATOM 1233 C LYS A 86 7.372 5.402 8.726 1.00 0.78 C ATOM 1234 O LYS A 86 8.395 6.030 8.986 1.00 0.98 O ATOM 1235 CB LYS A 86 5.407 5.591 10.273 1.00 0.75 C ATOM 1236 CG LYS A 86 5.174 6.743 11.234 1.00 1.29 C ATOM 1237 CD LYS A 86 3.793 6.669 11.869 1.00 1.79 C ATOM 1238 CE LYS A 86 3.734 5.623 12.975 1.00 2.34 C ATOM 1239 NZ LYS A 86 4.663 5.937 14.096 1.00 3.07 N ATOM 0 H LYS A 86 4.465 4.874 8.073 1.00 0.60 H new ATOM 0 HA LYS A 86 6.090 7.113 8.918 1.00 0.74 H new ATOM 0 HB2 LYS A 86 4.462 5.076 10.100 1.00 0.75 H new ATOM 0 HB3 LYS A 86 6.082 4.872 10.737 1.00 0.75 H new ATOM 0 HG2 LYS A 86 5.935 6.727 12.014 1.00 1.29 H new ATOM 0 HG3 LYS A 86 5.281 7.689 10.703 1.00 1.29 H new ATOM 0 HD2 LYS A 86 3.528 7.644 12.277 1.00 1.79 H new ATOM 0 HD3 LYS A 86 3.054 6.431 11.104 1.00 1.79 H new ATOM 0 HE2 LYS A 86 2.715 5.558 13.357 1.00 2.34 H new ATOM 0 HE3 LYS A 86 3.983 4.645 12.562 1.00 2.34 H new ATOM 0 HZ1 LYS A 86 4.345 5.449 14.958 1.00 3.07 H new ATOM 0 HZ2 LYS A 86 5.622 5.618 13.852 1.00 3.07 H new ATOM 0 HZ3 LYS A 86 4.672 6.964 14.263 1.00 3.07 H new ATOM 1253 N LYS A 87 7.383 4.153 8.267 1.00 0.75 N ATOM 1254 CA LYS A 87 8.622 3.418 8.040 1.00 0.86 C ATOM 1255 C LYS A 87 9.327 3.888 6.770 1.00 0.93 C ATOM 1256 O LYS A 87 10.496 3.559 6.547 1.00 1.11 O ATOM 1257 CB LYS A 87 8.335 1.917 7.937 1.00 0.91 C ATOM 1258 CG LYS A 87 7.906 1.288 9.251 1.00 1.01 C ATOM 1259 CD LYS A 87 9.084 0.615 9.941 1.00 1.35 C ATOM 1260 CE LYS A 87 8.813 -0.860 10.216 1.00 2.18 C ATOM 1261 NZ LYS A 87 10.053 -1.680 10.184 1.00 2.78 N ATOM 0 H LYS A 87 6.539 3.626 8.044 1.00 0.75 H new ATOM 0 HA LYS A 87 9.279 3.610 8.889 1.00 0.86 H new ATOM 0 HB2 LYS A 87 7.554 1.755 7.194 1.00 0.91 H new ATOM 0 HB3 LYS A 87 9.229 1.409 7.575 1.00 0.91 H new ATOM 0 HG2 LYS A 87 7.485 2.052 9.904 1.00 1.01 H new ATOM 0 HG3 LYS A 87 7.119 0.556 9.069 1.00 1.01 H new ATOM 0 HD2 LYS A 87 9.973 0.711 9.318 1.00 1.35 H new ATOM 0 HD3 LYS A 87 9.296 1.127 10.880 1.00 1.35 H new ATOM 0 HE2 LYS A 87 8.337 -0.963 11.191 1.00 2.18 H new ATOM 0 HE3 LYS A 87 8.109 -1.241 9.476 1.00 2.18 H new ATOM 0 HZ1 LYS A 87 10.012 -2.340 9.381 1.00 2.78 H new ATOM 0 HZ2 LYS A 87 10.879 -1.057 10.078 1.00 2.78 H new ATOM 0 HZ3 LYS A 87 10.137 -2.218 11.070 1.00 2.78 H new ATOM 1275 N ARG A 88 8.612 4.642 5.941 1.00 0.86 N ATOM 1276 CA ARG A 88 9.158 5.150 4.688 1.00 1.01 C ATOM 1277 C ARG A 88 10.393 6.019 4.941 1.00 1.29 C ATOM 1278 O ARG A 88 11.312 6.066 4.125 1.00 1.77 O ATOM 1279 CB ARG A 88 8.085 5.952 3.933 1.00 1.08 C ATOM 1280 CG ARG A 88 8.569 6.584 2.636 1.00 1.51 C ATOM 1281 CD ARG A 88 7.433 7.275 1.888 1.00 1.54 C ATOM 1282 NE ARG A 88 7.055 8.548 2.514 1.00 1.87 N ATOM 1283 CZ ARG A 88 5.868 9.145 2.348 1.00 2.17 C ATOM 1284 NH1 ARG A 88 4.933 8.576 1.589 1.00 2.14 N ATOM 1285 NH2 ARG A 88 5.604 10.295 2.965 1.00 3.01 N ATOM 0 H ARG A 88 7.645 4.916 6.117 1.00 0.86 H new ATOM 0 HA ARG A 88 9.463 4.301 4.076 1.00 1.01 H new ATOM 0 HB2 ARG A 88 7.246 5.293 3.711 1.00 1.08 H new ATOM 0 HB3 ARG A 88 7.709 6.738 4.588 1.00 1.08 H new ATOM 0 HG2 ARG A 88 9.354 7.308 2.854 1.00 1.51 H new ATOM 0 HG3 ARG A 88 9.010 5.817 2.000 1.00 1.51 H new ATOM 0 HD2 ARG A 88 7.735 7.454 0.856 1.00 1.54 H new ATOM 0 HD3 ARG A 88 6.566 6.615 1.856 1.00 1.54 H new ATOM 0 HE ARG A 88 7.740 9.007 3.114 1.00 1.87 H new ATOM 0 HH11 ARG A 88 5.120 7.683 1.133 1.00 2.14 H new ATOM 0 HH12 ARG A 88 4.030 9.033 1.464 1.00 2.14 H new ATOM 0 HH21 ARG A 88 6.307 10.724 3.567 1.00 3.01 H new ATOM 0 HH22 ARG A 88 4.699 10.747 2.836 1.00 3.01 H new ATOM 1299 N SER A 89 10.405 6.699 6.079 1.00 1.73 N ATOM 1300 CA SER A 89 11.520 7.565 6.437 1.00 2.12 C ATOM 1301 C SER A 89 12.501 6.853 7.375 1.00 2.14 C ATOM 1302 O SER A 89 13.403 7.476 7.946 1.00 2.69 O ATOM 1303 CB SER A 89 10.975 8.834 7.091 1.00 2.71 C ATOM 1304 OG SER A 89 9.562 8.893 6.959 1.00 3.17 O ATOM 0 H SER A 89 9.655 6.668 6.770 1.00 1.73 H new ATOM 0 HA SER A 89 12.069 7.826 5.532 1.00 2.12 H new ATOM 0 HB2 SER A 89 11.249 8.853 8.146 1.00 2.71 H new ATOM 0 HB3 SER A 89 11.427 9.712 6.628 1.00 2.71 H new ATOM 0 HG SER A 89 9.228 9.710 7.384 1.00 3.17 H new ATOM 1310 N SER A 90 12.323 5.549 7.531 1.00 2.07 N ATOM 1311 CA SER A 90 13.185 4.757 8.396 1.00 2.75 C ATOM 1312 C SER A 90 13.985 3.741 7.591 1.00 3.15 C ATOM 1313 O SER A 90 15.185 3.558 7.814 1.00 3.96 O ATOM 1314 CB SER A 90 12.352 4.043 9.456 1.00 3.34 C ATOM 1315 OG SER A 90 11.188 4.790 9.761 1.00 3.54 O ATOM 0 H SER A 90 11.587 5.016 7.068 1.00 2.07 H new ATOM 0 HA SER A 90 13.886 5.433 8.885 1.00 2.75 H new ATOM 0 HB2 SER A 90 12.072 3.052 9.099 1.00 3.34 H new ATOM 0 HB3 SER A 90 12.946 3.901 10.359 1.00 3.34 H new ATOM 0 HG SER A 90 10.665 4.317 10.441 1.00 3.54 H new ATOM 1321 N GLU A 91 13.320 3.083 6.654 1.00 3.20 N ATOM 1322 CA GLU A 91 13.972 2.090 5.818 1.00 4.20 C ATOM 1323 C GLU A 91 13.794 2.446 4.350 1.00 4.96 C ATOM 1324 O GLU A 91 14.730 2.215 3.564 1.00 5.32 O ATOM 1325 CB GLU A 91 13.397 0.701 6.100 1.00 4.72 C ATOM 1326 CG GLU A 91 13.769 0.162 7.471 1.00 5.09 C ATOM 1327 CD GLU A 91 12.735 -0.796 8.028 1.00 5.88 C ATOM 1328 OE1 GLU A 91 12.321 -1.726 7.303 1.00 6.23 O ATOM 1329 OE2 GLU A 91 12.334 -0.632 9.202 1.00 6.44 O ATOM 1330 OXT GLU A 91 12.718 2.975 3.996 1.00 5.59 O ATOM 0 H GLU A 91 12.329 3.220 6.454 1.00 3.20 H new ATOM 0 HA GLU A 91 15.037 2.079 6.050 1.00 4.20 H new ATOM 0 HB2 GLU A 91 12.311 0.741 6.016 1.00 4.72 H new ATOM 0 HB3 GLU A 91 13.750 0.008 5.337 1.00 4.72 H new ATOM 0 HG2 GLU A 91 14.731 -0.346 7.407 1.00 5.09 H new ATOM 0 HG3 GLU A 91 13.894 0.996 8.162 1.00 5.09 H new TER 1337 GLU A 91