USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 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 21 HIS : no HD1:sc= -7.61! C(o=-11!,f=-11!) USER MOD Set 1.2: A 53 ASN : amide:sc= -3.1! C(o=-11!,f=-15!) USER MOD Single : A 7 ASN : amide:sc= -0.619 X(o=-0.62,f=-1) USER MOD Single : A 9 MET CE :methyl -166:sc= -0.0032 (180deg=-0.21) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.09) USER MOD Single : A 18 HIS : no HD1:sc= -0.256 K(o=-0.26,f=-1.4) USER MOD Single : A 19 LYS NZ :NH3+ -166:sc= -0.0127 (180deg=-0.169) USER MOD Single : A 23 HIS :FLIP no HD1:sc= -0.448 F(o=-1.5,f=-0.45) USER MOD Single : A 27 LYS NZ :NH3+ 132:sc= -0.221 (180deg=-1.04) USER MOD Single : A 28 SER OG : rot 180:sc= -0.568 USER MOD Single : A 31 ASN : amide:sc= -0.877 K(o=-0.88,f=-4.8!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.464 K(o=-0.46,f=-1.3) USER MOD Single : A 39 TYR OH : rot 100:sc= 0.888 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 40:sc= -4.11! USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.204) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 65 GLN :FLIP amide:sc= -1.07 F(o=-1.6!,f=-1.1) USER MOD Single : A 66 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.1) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 47:sc= 0.155 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -20.033 -12.418 5.378 1.00 6.51 N ATOM 2 CA ILE A 6 -20.157 -11.212 6.189 1.00 5.95 C ATOM 3 C ILE A 6 -18.820 -10.489 6.280 1.00 5.14 C ATOM 4 O ILE A 6 -18.517 -9.853 7.289 1.00 5.46 O ATOM 5 CB ILE A 6 -20.641 -11.572 7.590 1.00 6.67 C ATOM 6 CG1 ILE A 6 -21.786 -12.580 7.523 1.00 7.44 C ATOM 7 CG2 ILE A 6 -21.069 -10.322 8.351 1.00 6.84 C ATOM 8 CD1 ILE A 6 -22.182 -13.071 8.913 1.00 8.10 C ATOM 0 HA ILE A 6 -20.883 -10.551 5.715 1.00 5.95 H new ATOM 0 HB ILE A 6 -19.812 -12.032 8.128 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -22.648 -12.121 7.039 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -21.489 -13.429 6.907 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -21.411 -10.602 9.348 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -20.223 -9.640 8.436 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -21.880 -9.829 7.815 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -23.000 -13.787 8.827 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -21.326 -13.553 9.386 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -22.503 -12.225 9.520 1.00 8.10 H new ATOM 20 N ASN A 7 -18.021 -10.589 5.221 1.00 4.48 N ATOM 21 CA ASN A 7 -16.715 -9.942 5.190 1.00 4.06 C ATOM 22 C ASN A 7 -16.224 -9.782 3.757 1.00 3.11 C ATOM 23 O ASN A 7 -15.825 -10.754 3.115 1.00 3.46 O ATOM 24 CB ASN A 7 -15.709 -10.763 5.992 1.00 4.82 C ATOM 25 CG ASN A 7 -15.826 -12.239 5.635 1.00 5.60 C ATOM 26 OD1 ASN A 7 -16.729 -12.933 6.102 1.00 5.87 O ATOM 27 ND2 ASN A 7 -14.909 -12.721 4.803 1.00 6.34 N ATOM 0 H ASN A 7 -18.255 -11.110 4.376 1.00 4.48 H new ATOM 0 HA ASN A 7 -16.812 -8.952 5.635 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -14.698 -10.412 5.788 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -15.885 -10.625 7.059 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -14.936 -13.703 4.527 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -14.178 -12.109 4.440 1.00 6.34 H new ATOM 34 N ARG A 8 -16.252 -8.549 3.260 1.00 2.49 N ATOM 35 CA ARG A 8 -15.804 -8.259 1.903 1.00 2.11 C ATOM 36 C ARG A 8 -14.286 -8.146 1.863 1.00 1.69 C ATOM 37 O ARG A 8 -13.612 -8.939 1.206 1.00 2.38 O ATOM 38 CB ARG A 8 -16.432 -6.958 1.411 1.00 2.95 C ATOM 39 CG ARG A 8 -17.752 -7.210 0.686 1.00 3.61 C ATOM 40 CD ARG A 8 -17.939 -6.252 -0.487 1.00 4.57 C ATOM 41 NE ARG A 8 -18.319 -4.930 -0.005 1.00 5.39 N ATOM 42 CZ ARG A 8 -19.128 -4.139 -0.701 1.00 6.19 C ATOM 43 NH1 ARG A 8 -20.434 -4.369 -0.714 1.00 6.68 N ATOM 44 NH2 ARG A 8 -18.634 -3.117 -1.385 1.00 6.74 N ATOM 0 H ARG A 8 -16.581 -7.734 3.778 1.00 2.49 H new ATOM 0 HA ARG A 8 -16.116 -9.075 1.251 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -16.602 -6.293 2.257 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -15.739 -6.450 0.740 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -17.779 -8.238 0.325 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -18.580 -7.096 1.386 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -17.015 -6.185 -1.062 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -18.706 -6.636 -1.160 1.00 4.57 H new ATOM 0 HE ARG A 8 -17.954 -4.604 0.890 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -20.819 -5.154 -0.189 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -21.054 -3.761 -1.249 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -17.630 -2.936 -1.378 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -19.258 -2.511 -1.919 1.00 6.74 H new ATOM 58 N MET A 9 -13.755 -7.154 2.576 1.00 1.18 N ATOM 59 CA MET A 9 -12.311 -6.918 2.643 1.00 0.82 C ATOM 60 C MET A 9 -11.649 -7.123 1.284 1.00 0.72 C ATOM 61 O MET A 9 -11.293 -8.244 0.919 1.00 0.97 O ATOM 62 CB MET A 9 -11.673 -7.846 3.675 1.00 1.08 C ATOM 63 CG MET A 9 -12.192 -9.275 3.553 1.00 1.61 C ATOM 64 SD MET A 9 -11.394 -10.401 4.709 1.00 2.27 S ATOM 65 CE MET A 9 -9.757 -10.540 3.974 1.00 2.82 C ATOM 0 H MET A 9 -14.309 -6.494 3.121 1.00 1.18 H new ATOM 0 HA MET A 9 -12.157 -5.881 2.943 1.00 0.82 H new ATOM 0 HB2 MET A 9 -10.590 -7.841 3.548 1.00 1.08 H new ATOM 0 HB3 MET A 9 -11.878 -7.470 4.677 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.268 -9.283 3.727 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.031 -9.631 2.535 1.00 1.61 H new ATOM 0 HE1 MET A 9 -9.228 -11.382 4.420 1.00 2.82 H new ATOM 0 HE2 MET A 9 -9.853 -10.700 2.900 1.00 2.82 H new ATOM 0 HE3 MET A 9 -9.197 -9.622 4.156 1.00 2.82 H new ATOM 75 N ASP A 10 -11.480 -6.033 0.542 1.00 0.49 N ATOM 76 CA ASP A 10 -10.855 -6.094 -0.773 1.00 0.42 C ATOM 77 C ASP A 10 -9.376 -5.750 -0.666 1.00 0.38 C ATOM 78 O ASP A 10 -9.009 -4.584 -0.515 1.00 0.54 O ATOM 79 CB ASP A 10 -11.549 -5.129 -1.728 1.00 0.44 C ATOM 80 CG ASP A 10 -12.958 -5.616 -2.038 1.00 0.86 C ATOM 81 OD1 ASP A 10 -13.106 -6.781 -2.462 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.913 -4.833 -1.854 1.00 1.55 O ATOM 0 H ASP A 10 -11.767 -5.098 0.830 1.00 0.49 H new ATOM 0 HA ASP A 10 -10.953 -7.107 -1.163 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.590 -4.134 -1.285 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -10.975 -5.044 -2.651 1.00 0.44 H new ATOM 87 N TYR A 11 -8.529 -6.771 -0.731 1.00 0.40 N ATOM 88 CA TYR A 11 -7.088 -6.576 -0.626 1.00 0.37 C ATOM 89 C TYR A 11 -6.411 -6.737 -1.982 1.00 0.34 C ATOM 90 O TYR A 11 -7.044 -7.116 -2.968 1.00 0.38 O ATOM 91 CB TYR A 11 -6.500 -7.574 0.367 1.00 0.42 C ATOM 92 CG TYR A 11 -6.541 -8.997 -0.131 1.00 0.48 C ATOM 93 CD1 TYR A 11 -7.662 -9.779 0.088 1.00 0.54 C ATOM 94 CD2 TYR A 11 -5.457 -9.529 -0.810 1.00 0.57 C ATOM 95 CE1 TYR A 11 -7.700 -11.084 -0.370 1.00 0.63 C ATOM 96 CE2 TYR A 11 -5.495 -10.835 -1.267 1.00 0.67 C ATOM 97 CZ TYR A 11 -6.614 -11.607 -1.043 1.00 0.67 C ATOM 98 OH TYR A 11 -6.655 -12.904 -1.501 1.00 0.78 O ATOM 0 H TYR A 11 -8.815 -7.742 -0.856 1.00 0.40 H new ATOM 0 HA TYR A 11 -6.908 -5.561 -0.273 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.467 -7.300 0.580 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.048 -7.508 1.307 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -8.509 -9.369 0.618 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -4.580 -8.923 -0.983 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -8.577 -11.692 -0.202 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -4.650 -11.248 -1.798 1.00 0.67 H new ATOM 0 HH TYR A 11 -5.813 -13.118 -1.954 1.00 0.78 H new ATOM 108 N VAL A 12 -5.116 -6.441 -2.016 1.00 0.34 N ATOM 109 CA VAL A 12 -4.324 -6.541 -3.235 1.00 0.34 C ATOM 110 C VAL A 12 -2.846 -6.388 -2.902 1.00 0.35 C ATOM 111 O VAL A 12 -2.411 -5.334 -2.434 1.00 0.51 O ATOM 112 CB VAL A 12 -4.754 -5.462 -4.230 1.00 0.38 C ATOM 113 CG1 VAL A 12 -4.717 -4.083 -3.578 1.00 0.52 C ATOM 114 CG2 VAL A 12 -3.879 -5.491 -5.483 1.00 0.81 C ATOM 0 H VAL A 12 -4.588 -6.126 -1.202 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.487 -7.519 -3.688 1.00 0.34 H new ATOM 0 HB VAL A 12 -5.780 -5.672 -4.532 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.026 -3.330 -4.302 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.395 -4.066 -2.725 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -3.703 -3.867 -3.240 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.206 -4.714 -6.174 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -2.840 -5.315 -5.205 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -3.966 -6.465 -5.965 1.00 0.81 H new ATOM 124 N GLU A 13 -2.076 -7.446 -3.134 1.00 0.49 N ATOM 125 CA GLU A 13 -0.646 -7.429 -2.849 1.00 0.54 C ATOM 126 C GLU A 13 0.158 -7.157 -4.113 1.00 0.50 C ATOM 127 O GLU A 13 -0.199 -7.609 -5.201 1.00 0.60 O ATOM 128 CB GLU A 13 -0.219 -8.763 -2.247 1.00 0.67 C ATOM 129 CG GLU A 13 -1.170 -9.215 -1.143 1.00 1.05 C ATOM 130 CD GLU A 13 -1.163 -8.215 0.004 1.00 1.43 C ATOM 131 OE1 GLU A 13 -0.106 -8.060 0.654 1.00 1.97 O ATOM 132 OE2 GLU A 13 -2.213 -7.585 0.253 1.00 2.05 O ATOM 0 H GLU A 13 -2.419 -8.326 -3.519 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.451 -6.628 -2.136 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.184 -9.521 -3.030 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.790 -8.674 -1.844 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.180 -9.314 -1.542 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -0.873 -10.198 -0.779 1.00 1.05 H new ATOM 139 N ILE A 14 1.252 -6.418 -3.957 1.00 0.48 N ATOM 140 CA ILE A 14 2.124 -6.084 -5.080 1.00 0.49 C ATOM 141 C ILE A 14 3.551 -6.528 -4.787 1.00 0.48 C ATOM 142 O ILE A 14 4.138 -6.140 -3.774 1.00 0.43 O ATOM 143 CB ILE A 14 2.099 -4.582 -5.360 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.984 -3.782 -4.063 1.00 0.51 C ATOM 145 CG2 ILE A 14 0.960 -4.227 -6.309 1.00 0.64 C ATOM 146 CD1 ILE A 14 2.526 -2.368 -4.231 1.00 0.63 C ATOM 0 H ILE A 14 1.557 -6.038 -3.061 1.00 0.48 H new ATOM 0 HA ILE A 14 1.757 -6.609 -5.962 1.00 0.49 H new ATOM 0 HB ILE A 14 3.042 -4.317 -5.839 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.940 -3.738 -3.752 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.532 -4.291 -3.270 1.00 0.51 H new ATOM 0 HG21 ILE A 14 0.962 -3.153 -6.494 1.00 0.64 H new ATOM 0 HG22 ILE A 14 1.093 -4.758 -7.252 1.00 0.64 H new ATOM 0 HG23 ILE A 14 0.009 -4.516 -5.861 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.429 -1.827 -3.290 1.00 0.63 H new ATOM 0 HD12 ILE A 14 3.577 -2.413 -4.517 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.961 -1.851 -5.007 1.00 0.63 H new ATOM 158 N ASN A 15 4.099 -7.350 -5.676 1.00 0.59 N ATOM 159 CA ASN A 15 5.453 -7.863 -5.516 1.00 0.62 C ATOM 160 C ASN A 15 6.482 -6.814 -5.916 1.00 0.60 C ATOM 161 O ASN A 15 6.662 -6.523 -7.099 1.00 0.78 O ATOM 162 CB ASN A 15 5.630 -9.118 -6.364 1.00 0.79 C ATOM 163 CG ASN A 15 6.154 -10.265 -5.510 1.00 1.31 C ATOM 164 OD1 ASN A 15 5.716 -11.407 -5.652 1.00 2.20 O ATOM 165 ND2 ASN A 15 7.092 -9.962 -4.621 1.00 1.54 N ATOM 0 H ASN A 15 3.623 -7.676 -6.517 1.00 0.59 H new ATOM 0 HA ASN A 15 5.609 -8.110 -4.466 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.678 -9.397 -6.815 1.00 0.79 H new ATOM 0 HB3 ASN A 15 6.323 -8.918 -7.181 1.00 0.79 H new ATOM 0 HD21 ASN A 15 7.480 -10.690 -4.021 1.00 1.54 H new ATOM 0 HD22 ASN A 15 7.425 -9.001 -4.538 1.00 1.54 H new ATOM 172 N ILE A 16 7.158 -6.253 -4.920 1.00 0.49 N ATOM 173 CA ILE A 16 8.177 -5.238 -5.156 1.00 0.49 C ATOM 174 C ILE A 16 9.528 -5.729 -4.647 1.00 0.56 C ATOM 175 O ILE A 16 9.597 -6.647 -3.831 1.00 0.66 O ATOM 176 CB ILE A 16 7.781 -3.938 -4.460 1.00 0.48 C ATOM 177 CG1 ILE A 16 6.476 -3.400 -5.044 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.887 -2.889 -4.570 1.00 0.58 C ATOM 179 CD1 ILE A 16 6.005 -2.152 -4.309 1.00 0.84 C ATOM 0 H ILE A 16 7.017 -6.486 -3.937 1.00 0.49 H new ATOM 0 HA ILE A 16 8.259 -5.050 -6.227 1.00 0.49 H new ATOM 0 HB ILE A 16 7.631 -4.155 -3.402 1.00 0.48 H new ATOM 0 HG12 ILE A 16 6.617 -3.169 -6.100 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.706 -4.169 -4.986 1.00 0.63 H new ATOM 0 HG21 ILE A 16 8.574 -1.976 -4.064 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.796 -3.268 -4.103 1.00 0.58 H new ATOM 0 HG23 ILE A 16 9.081 -2.674 -5.621 1.00 0.58 H new ATOM 0 HD11 ILE A 16 5.074 -1.798 -4.752 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.839 -2.389 -3.258 1.00 0.84 H new ATOM 0 HD13 ILE A 16 6.764 -1.374 -4.390 1.00 0.84 H new ATOM 191 N ASP A 17 10.600 -5.118 -5.139 1.00 0.63 N ATOM 192 CA ASP A 17 11.948 -5.500 -4.738 1.00 0.75 C ATOM 193 C ASP A 17 12.414 -4.667 -3.553 1.00 1.00 C ATOM 194 O ASP A 17 12.385 -5.123 -2.410 1.00 1.75 O ATOM 195 CB ASP A 17 12.910 -5.318 -5.908 1.00 1.27 C ATOM 196 CG ASP A 17 13.117 -6.640 -6.634 1.00 1.63 C ATOM 197 OD1 ASP A 17 12.176 -7.460 -6.660 1.00 2.16 O ATOM 198 OD2 ASP A 17 14.222 -6.854 -7.176 1.00 2.21 O ATOM 0 H ASP A 17 10.561 -4.356 -5.816 1.00 0.63 H new ATOM 0 HA ASP A 17 11.935 -6.549 -4.441 1.00 0.75 H new ATOM 0 HB2 ASP A 17 12.515 -4.574 -6.600 1.00 1.27 H new ATOM 0 HB3 ASP A 17 13.866 -4.941 -5.546 1.00 1.27 H new ATOM 203 N HIS A 18 12.846 -3.442 -3.831 1.00 1.27 N ATOM 204 CA HIS A 18 13.319 -2.541 -2.787 1.00 1.85 C ATOM 205 C HIS A 18 13.269 -1.096 -3.267 1.00 1.32 C ATOM 206 O HIS A 18 12.671 -0.796 -4.301 1.00 2.00 O ATOM 207 CB HIS A 18 14.743 -2.912 -2.375 1.00 2.83 C ATOM 208 CG HIS A 18 15.771 -2.584 -3.416 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.561 -2.740 -4.763 1.00 4.01 N ATOM 210 CD2 HIS A 18 17.036 -2.099 -3.315 1.00 4.16 C ATOM 211 CE1 HIS A 18 16.620 -2.380 -5.449 1.00 4.73 C ATOM 212 NE2 HIS A 18 17.547 -1.980 -4.594 1.00 4.84 N ATOM 0 H HIS A 18 12.878 -3.050 -4.772 1.00 1.27 H new ATOM 0 HA HIS A 18 12.665 -2.641 -1.921 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.993 -2.390 -1.451 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.784 -3.980 -2.159 1.00 2.83 H new ATOM 0 HD2 HIS A 18 17.551 -1.851 -2.399 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.718 -2.406 -6.524 1.00 4.73 H new ATOM 0 HE2 HIS A 18 18.478 -1.642 -4.837 1.00 4.84 H new ATOM 220 N LYS A 19 13.897 -0.203 -2.511 1.00 0.82 N ATOM 221 CA LYS A 19 13.919 1.213 -2.860 1.00 0.84 C ATOM 222 C LYS A 19 12.503 1.731 -3.087 1.00 0.77 C ATOM 223 O LYS A 19 12.299 2.724 -3.786 1.00 1.13 O ATOM 224 CB LYS A 19 14.758 1.428 -4.116 1.00 1.47 C ATOM 225 CG LYS A 19 16.241 1.577 -3.785 1.00 1.97 C ATOM 226 CD LYS A 19 17.060 1.933 -5.022 1.00 2.72 C ATOM 227 CE LYS A 19 18.520 2.205 -4.672 1.00 3.37 C ATOM 228 NZ LYS A 19 18.661 3.456 -3.875 1.00 4.03 N ATOM 0 H LYS A 19 14.398 -0.434 -1.653 1.00 0.82 H new ATOM 0 HA LYS A 19 14.364 1.766 -2.033 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.619 0.587 -4.795 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.410 2.319 -4.638 1.00 1.47 H new ATOM 0 HG2 LYS A 19 16.369 2.351 -3.028 1.00 1.97 H new ATOM 0 HG3 LYS A 19 16.614 0.647 -3.356 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.004 1.117 -5.743 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.631 2.812 -5.502 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.924 1.364 -4.108 1.00 3.37 H new ATOM 0 HE3 LYS A 19 19.107 2.286 -5.587 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.660 3.743 -3.854 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.093 4.211 -4.310 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 18.328 3.288 -2.904 1.00 4.03 H new ATOM 242 N PHE A 20 11.524 1.057 -2.489 1.00 0.63 N ATOM 243 CA PHE A 20 10.127 1.452 -2.621 1.00 0.61 C ATOM 244 C PHE A 20 9.497 1.637 -1.250 1.00 0.62 C ATOM 245 O PHE A 20 8.991 2.710 -0.925 1.00 0.95 O ATOM 246 CB PHE A 20 9.352 0.399 -3.405 1.00 0.62 C ATOM 247 CG PHE A 20 9.021 0.838 -4.807 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.999 1.409 -5.603 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.739 0.675 -5.305 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.699 1.814 -6.890 1.00 1.26 C ATOM 251 CE2 PHE A 20 7.438 1.080 -6.593 1.00 1.17 C ATOM 252 CZ PHE A 20 8.418 1.650 -7.386 1.00 1.19 C ATOM 0 H PHE A 20 11.674 0.233 -1.907 1.00 0.63 H new ATOM 0 HA PHE A 20 10.087 2.399 -3.160 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.937 -0.520 -3.446 1.00 0.62 H new ATOM 0 HB3 PHE A 20 8.428 0.166 -2.875 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.999 1.538 -5.217 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.973 0.231 -4.687 1.00 0.96 H new ATOM 0 HE1 PHE A 20 10.465 2.259 -7.508 1.00 1.26 H new ATOM 0 HE2 PHE A 20 6.438 0.951 -6.980 1.00 1.17 H new ATOM 0 HZ PHE A 20 8.183 1.967 -8.391 1.00 1.19 H new ATOM 262 N HIS A 21 9.531 0.579 -0.449 1.00 0.53 N ATOM 263 CA HIS A 21 8.963 0.614 0.891 1.00 0.57 C ATOM 264 C HIS A 21 9.477 1.824 1.661 1.00 0.69 C ATOM 265 O HIS A 21 8.711 2.724 2.003 1.00 1.03 O ATOM 266 CB HIS A 21 9.320 -0.669 1.637 1.00 0.54 C ATOM 267 CG HIS A 21 8.549 -1.859 1.154 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.021 -2.805 1.994 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.205 -2.269 -0.094 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.393 -3.737 1.317 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.484 -3.442 0.031 1.00 0.42 N ATOM 0 H HIS A 21 9.947 -0.316 -0.706 1.00 0.53 H new ATOM 0 HA HIS A 21 7.879 0.693 0.808 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.387 -0.864 1.525 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.132 -0.528 2.701 1.00 0.54 H new ATOM 0 HD2 HIS A 21 8.451 -1.768 -1.019 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.890 -4.595 1.737 1.00 0.45 H new ATOM 0 HE2 HIS A 21 7.090 -3.986 -0.736 1.00 0.42 H new ATOM 279 N ARG A 22 10.779 1.839 1.929 1.00 0.68 N ATOM 280 CA ARG A 22 11.397 2.940 2.657 1.00 0.80 C ATOM 281 C ARG A 22 11.326 4.226 1.842 1.00 0.81 C ATOM 282 O ARG A 22 11.263 5.323 2.400 1.00 0.92 O ATOM 283 CB ARG A 22 12.852 2.604 2.973 1.00 0.93 C ATOM 284 CG ARG A 22 13.703 2.528 1.708 1.00 1.64 C ATOM 285 CD ARG A 22 14.947 1.672 1.920 1.00 2.14 C ATOM 286 NE ARG A 22 14.733 0.329 1.391 1.00 2.73 N ATOM 287 CZ ARG A 22 14.254 -0.651 2.149 1.00 3.33 C ATOM 288 NH1 ARG A 22 14.878 -0.992 3.268 1.00 3.95 N ATOM 289 NH2 ARG A 22 13.149 -1.288 1.789 1.00 3.72 N ATOM 0 H ARG A 22 11.426 1.101 1.653 1.00 0.68 H new ATOM 0 HA ARG A 22 10.853 3.089 3.590 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.263 3.360 3.643 1.00 0.93 H new ATOM 0 HB3 ARG A 22 12.899 1.651 3.501 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.109 2.113 0.894 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.999 3.533 1.407 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.802 2.133 1.426 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.183 1.618 2.983 1.00 2.14 H new ATOM 0 HE ARG A 22 14.957 0.138 0.414 1.00 2.73 H new ATOM 0 HH11 ARG A 22 15.727 -0.502 3.548 1.00 3.95 H new ATOM 0 HH12 ARG A 22 14.509 -1.745 3.849 1.00 3.95 H new ATOM 0 HH21 ARG A 22 12.666 -1.026 0.930 1.00 3.72 H new ATOM 0 HH22 ARG A 22 12.781 -2.041 2.371 1.00 3.72 H new ATOM 303 N HIS A 23 11.336 4.084 0.521 1.00 0.90 N ATOM 304 CA HIS A 23 11.274 5.233 -0.378 1.00 0.98 C ATOM 305 C HIS A 23 9.884 5.858 -0.364 1.00 0.96 C ATOM 306 O HIS A 23 9.720 7.038 -0.673 1.00 1.12 O ATOM 307 CB HIS A 23 11.625 4.797 -1.800 1.00 1.02 C ATOM 308 CG HIS A 23 12.925 5.360 -2.282 1.00 1.30 C ATOM 309 ND1 HIS A 23 14.003 4.778 -2.869 1.00 1.83 N flip ATOM 310 CD2 HIS A 23 13.246 6.690 -2.197 1.00 1.56 C flip ATOM 311 CE1 HIS A 23 14.934 5.769 -3.120 1.00 2.07 C flip ATOM 312 NE2 HIS A 23 14.438 6.919 -2.697 1.00 1.86 N flip ATOM 0 H HIS A 23 11.387 3.182 0.047 1.00 0.90 H new ATOM 0 HA HIS A 23 11.993 5.977 -0.035 1.00 0.98 H new ATOM 0 HB2 HIS A 23 11.670 3.709 -1.839 1.00 1.02 H new ATOM 0 HB3 HIS A 23 10.828 5.108 -2.476 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.604 7.449 -1.775 1.00 1.56 H new ATOM 0 HE1 HIS A 23 15.900 5.628 -3.582 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.901 7.826 -2.750 1.00 1.86 H new ATOM 320 N LEU A 24 8.883 5.057 -0.015 1.00 0.86 N ATOM 321 CA LEU A 24 7.503 5.523 0.027 1.00 0.87 C ATOM 322 C LEU A 24 7.154 6.078 1.402 1.00 0.97 C ATOM 323 O LEU A 24 6.785 7.245 1.533 1.00 1.16 O ATOM 324 CB LEU A 24 6.567 4.377 -0.331 1.00 0.73 C ATOM 325 CG LEU A 24 6.571 4.120 -1.835 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.607 2.623 -2.132 1.00 0.72 C ATOM 327 CD2 LEU A 24 5.364 4.779 -2.492 1.00 1.25 C ATOM 0 H LEU A 24 9.003 4.078 0.244 1.00 0.86 H new ATOM 0 HA LEU A 24 7.386 6.328 -0.699 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.873 3.474 0.197 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.555 4.612 -0.001 1.00 0.73 H new ATOM 0 HG LEU A 24 7.473 4.564 -2.256 1.00 0.76 H new ATOM 0 HD11 LEU A 24 6.609 2.466 -3.211 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.508 2.188 -1.700 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.729 2.145 -1.698 1.00 0.72 H new ATOM 0 HD21 LEU A 24 5.383 4.586 -3.565 1.00 1.25 H new ATOM 0 HD22 LEU A 24 4.449 4.369 -2.065 1.00 1.25 H new ATOM 0 HD23 LEU A 24 5.396 5.854 -2.317 1.00 1.25 H new ATOM 339 N ILE A 25 7.270 5.240 2.426 1.00 0.92 N ATOM 340 CA ILE A 25 6.962 5.658 3.789 1.00 1.10 C ATOM 341 C ILE A 25 7.755 6.907 4.156 1.00 1.41 C ATOM 342 O ILE A 25 7.341 7.685 5.016 1.00 1.91 O ATOM 343 CB ILE A 25 7.272 4.530 4.769 1.00 0.94 C ATOM 344 CG1 ILE A 25 8.767 4.213 4.787 1.00 0.90 C ATOM 345 CG2 ILE A 25 6.467 3.281 4.426 1.00 1.06 C ATOM 346 CD1 ILE A 25 9.211 3.708 6.156 1.00 0.91 C ATOM 0 H ILE A 25 7.574 4.270 2.339 1.00 0.92 H new ATOM 0 HA ILE A 25 5.899 5.893 3.848 1.00 1.10 H new ATOM 0 HB ILE A 25 6.984 4.865 5.766 1.00 0.94 H new ATOM 0 HG12 ILE A 25 8.990 3.461 4.030 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.333 5.107 4.526 1.00 0.90 H new ATOM 0 HG21 ILE A 25 6.703 2.489 5.137 1.00 1.06 H new ATOM 0 HG22 ILE A 25 5.402 3.509 4.477 1.00 1.06 H new ATOM 0 HG23 ILE A 25 6.719 2.951 3.418 1.00 1.06 H new ATOM 0 HD11 ILE A 25 10.279 3.492 6.135 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.010 4.471 6.908 1.00 0.91 H new ATOM 0 HD13 ILE A 25 8.662 2.800 6.405 1.00 0.91 H new ATOM 358 N GLY A 26 8.895 7.094 3.499 1.00 1.49 N ATOM 359 CA GLY A 26 9.747 8.250 3.756 1.00 1.87 C ATOM 360 C GLY A 26 10.082 8.359 5.237 1.00 1.82 C ATOM 361 O GLY A 26 9.440 9.106 5.975 1.00 2.29 O ATOM 0 H GLY A 26 9.251 6.459 2.784 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.666 8.165 3.176 1.00 1.87 H new ATOM 0 HA3 GLY A 26 9.244 9.158 3.425 1.00 1.87 H new ATOM 365 N LYS A 27 11.088 7.607 5.668 1.00 1.86 N ATOM 366 CA LYS A 27 11.506 7.619 7.065 1.00 1.91 C ATOM 367 C LYS A 27 10.356 7.190 7.965 1.00 1.62 C ATOM 368 O LYS A 27 9.498 7.998 8.321 1.00 2.38 O ATOM 369 CB LYS A 27 11.979 9.016 7.454 1.00 2.21 C ATOM 370 CG LYS A 27 13.491 9.057 7.663 1.00 2.65 C ATOM 371 CD LYS A 27 14.159 10.053 6.720 1.00 3.30 C ATOM 372 CE LYS A 27 14.112 11.471 7.278 1.00 3.80 C ATOM 373 NZ LYS A 27 14.754 11.546 8.619 1.00 4.51 N ATOM 0 H LYS A 27 11.629 6.982 5.071 1.00 1.86 H new ATOM 0 HA LYS A 27 12.329 6.916 7.191 1.00 1.91 H new ATOM 0 HB2 LYS A 27 11.699 9.726 6.676 1.00 2.21 H new ATOM 0 HB3 LYS A 27 11.476 9.330 8.368 1.00 2.21 H new ATOM 0 HG2 LYS A 27 13.709 9.329 8.696 1.00 2.65 H new ATOM 0 HG3 LYS A 27 13.909 8.064 7.500 1.00 2.65 H new ATOM 0 HD2 LYS A 27 15.196 9.760 6.555 1.00 3.30 H new ATOM 0 HD3 LYS A 27 13.662 10.026 5.750 1.00 3.30 H new ATOM 0 HE2 LYS A 27 14.617 12.151 6.592 1.00 3.80 H new ATOM 0 HE3 LYS A 27 13.076 11.802 7.349 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 15.412 12.351 8.644 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 14.023 11.674 9.347 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 15.276 10.666 8.804 1.00 4.51 H new ATOM 387 N SER A 28 10.340 5.910 8.327 1.00 1.28 N ATOM 388 CA SER A 28 9.291 5.370 9.184 1.00 1.60 C ATOM 389 C SER A 28 7.939 5.454 8.487 1.00 1.60 C ATOM 390 O SER A 28 7.730 6.302 7.619 1.00 2.28 O ATOM 391 CB SER A 28 9.244 6.140 10.499 1.00 1.99 C ATOM 392 OG SER A 28 10.454 6.858 10.696 1.00 2.57 O ATOM 0 H SER A 28 11.042 5.228 8.040 1.00 1.28 H new ATOM 0 HA SER A 28 9.515 4.323 9.390 1.00 1.60 H new ATOM 0 HB2 SER A 28 8.401 6.831 10.493 1.00 1.99 H new ATOM 0 HB3 SER A 28 9.085 5.449 11.327 1.00 1.99 H new ATOM 0 HG SER A 28 10.409 7.349 11.543 1.00 2.57 H new ATOM 398 N GLY A 29 7.024 4.571 8.871 1.00 1.21 N ATOM 399 CA GLY A 29 5.691 4.546 8.282 1.00 1.23 C ATOM 400 C GLY A 29 4.995 5.888 8.455 1.00 1.36 C ATOM 401 O GLY A 29 4.557 6.234 9.554 1.00 2.05 O ATOM 0 H GLY A 29 7.181 3.863 9.588 1.00 1.21 H new ATOM 0 HA2 GLY A 29 5.762 4.303 7.222 1.00 1.23 H new ATOM 0 HA3 GLY A 29 5.097 3.761 8.750 1.00 1.23 H new ATOM 405 N ALA A 30 4.894 6.643 7.366 1.00 1.00 N ATOM 406 CA ALA A 30 4.251 7.951 7.398 1.00 1.10 C ATOM 407 C ALA A 30 3.211 8.061 6.290 1.00 1.06 C ATOM 408 O ALA A 30 2.086 8.501 6.523 1.00 1.43 O ATOM 409 CB ALA A 30 5.298 9.049 7.237 1.00 1.27 C ATOM 0 H ALA A 30 5.250 6.371 6.450 1.00 1.00 H new ATOM 0 HA ALA A 30 3.751 8.069 8.359 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.810 10.023 7.262 1.00 1.27 H new ATOM 0 HB2 ALA A 30 6.021 8.984 8.050 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.812 8.925 6.284 1.00 1.27 H new ATOM 415 N ASN A 31 3.597 7.660 5.083 1.00 0.73 N ATOM 416 CA ASN A 31 2.701 7.713 3.934 1.00 0.69 C ATOM 417 C ASN A 31 1.514 6.780 4.136 1.00 0.60 C ATOM 418 O ASN A 31 0.412 7.048 3.657 1.00 0.58 O ATOM 419 CB ASN A 31 3.458 7.322 2.670 1.00 0.71 C ATOM 420 CG ASN A 31 3.818 8.562 1.862 1.00 1.24 C ATOM 421 OD1 ASN A 31 3.521 9.687 2.264 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.462 8.359 0.719 1.00 1.42 N ATOM 0 H ASN A 31 4.526 7.294 4.875 1.00 0.73 H new ATOM 0 HA ASN A 31 2.328 8.732 3.831 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.364 6.777 2.935 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.848 6.651 2.066 1.00 0.71 H new ATOM 0 HD21 ASN A 31 4.730 9.152 0.137 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.689 7.410 0.423 1.00 1.42 H new ATOM 429 N ILE A 32 1.745 5.679 4.845 1.00 0.58 N ATOM 430 CA ILE A 32 0.695 4.703 5.108 1.00 0.56 C ATOM 431 C ILE A 32 -0.534 5.381 5.702 1.00 0.52 C ATOM 432 O ILE A 32 -1.668 4.987 5.425 1.00 0.51 O ATOM 433 CB ILE A 32 1.208 3.627 6.060 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.775 4.254 7.331 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.259 2.757 5.379 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.939 3.220 8.440 1.00 1.07 C ATOM 0 H ILE A 32 2.651 5.441 5.248 1.00 0.58 H new ATOM 0 HA ILE A 32 0.411 4.239 4.163 1.00 0.56 H new ATOM 0 HB ILE A 32 0.366 2.993 6.337 1.00 0.63 H new ATOM 0 HG12 ILE A 32 2.740 4.711 7.113 1.00 0.70 H new ATOM 0 HG13 ILE A 32 1.114 5.051 7.671 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.610 1.997 6.077 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.821 2.273 4.506 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.098 3.378 5.066 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.345 3.702 9.330 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.969 2.782 8.675 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.620 2.436 8.109 1.00 1.07 H new ATOM 448 N ASN A 33 -0.302 6.401 6.522 1.00 0.56 N ATOM 449 CA ASN A 33 -1.389 7.135 7.160 1.00 0.59 C ATOM 450 C ASN A 33 -1.989 8.150 6.196 1.00 0.54 C ATOM 451 O ASN A 33 -3.174 8.473 6.279 1.00 0.55 O ATOM 452 CB ASN A 33 -0.872 7.846 8.406 1.00 0.71 C ATOM 453 CG ASN A 33 -1.871 7.705 9.548 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.700 8.588 9.773 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.794 6.593 10.269 1.00 1.62 N ATOM 0 H ASN A 33 0.631 6.738 6.761 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.166 6.426 7.445 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.089 7.425 8.701 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.705 8.901 8.188 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.438 6.443 11.046 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -1.091 5.888 10.046 1.00 1.62 H new ATOM 462 N ARG A 34 -1.162 8.650 5.284 1.00 0.55 N ATOM 463 CA ARG A 34 -1.608 9.632 4.302 1.00 0.56 C ATOM 464 C ARG A 34 -2.733 9.064 3.446 1.00 0.48 C ATOM 465 O ARG A 34 -3.793 9.673 3.315 1.00 0.48 O ATOM 466 CB ARG A 34 -0.439 10.046 3.414 1.00 0.65 C ATOM 467 CG ARG A 34 -0.813 11.208 2.500 1.00 0.89 C ATOM 468 CD ARG A 34 0.387 11.697 1.695 1.00 1.22 C ATOM 469 NE ARG A 34 1.552 11.844 2.559 1.00 1.69 N ATOM 470 CZ ARG A 34 2.107 13.030 2.788 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.336 13.864 1.782 1.00 2.78 N ATOM 472 NH2 ARG A 34 2.432 13.384 4.023 1.00 2.90 N ATOM 0 H ARG A 34 -0.179 8.391 5.204 1.00 0.55 H new ATOM 0 HA ARG A 34 -1.985 10.506 4.833 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.409 10.331 4.037 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.120 9.196 2.811 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.606 10.896 1.820 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.210 12.029 3.098 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.607 10.992 0.894 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.153 12.652 1.224 1.00 1.22 H new ATOM 0 HE ARG A 34 1.952 11.015 2.999 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.086 13.596 0.830 1.00 2.78 H new ATOM 0 HH12 ARG A 34 2.762 14.773 1.960 1.00 2.78 H new ATOM 0 HH21 ARG A 34 2.256 12.746 4.799 1.00 2.90 H new ATOM 0 HH22 ARG A 34 2.858 14.294 4.197 1.00 2.90 H new ATOM 486 N ILE A 35 -2.493 7.892 2.866 1.00 0.45 N ATOM 487 CA ILE A 35 -3.488 7.240 2.021 1.00 0.40 C ATOM 488 C ILE A 35 -4.640 6.714 2.868 1.00 0.34 C ATOM 489 O ILE A 35 -5.800 7.034 2.619 1.00 0.34 O ATOM 490 CB ILE A 35 -2.844 6.095 1.242 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.729 6.622 0.340 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.883 5.340 0.418 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.391 6.669 1.072 1.00 1.29 C ATOM 0 H ILE A 35 -1.619 7.375 2.965 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.880 7.972 1.315 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.412 5.399 1.961 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.641 5.986 -0.540 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.987 7.621 -0.013 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -3.397 4.530 -0.126 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.643 4.927 1.081 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.352 6.023 -0.290 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.378 7.049 0.400 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.473 7.326 1.938 1.00 1.29 H new ATOM 0 HD13 ILE A 35 -0.121 5.666 1.402 1.00 1.29 H new ATOM 505 N LYS A 36 -4.313 5.906 3.871 1.00 0.35 N ATOM 506 CA LYS A 36 -5.318 5.331 4.764 1.00 0.36 C ATOM 507 C LYS A 36 -6.338 6.382 5.193 1.00 0.39 C ATOM 508 O LYS A 36 -7.489 6.058 5.486 1.00 0.51 O ATOM 509 CB LYS A 36 -4.634 4.747 5.996 1.00 0.44 C ATOM 510 CG LYS A 36 -5.645 4.200 7.001 1.00 1.09 C ATOM 511 CD LYS A 36 -5.630 4.998 8.302 1.00 1.41 C ATOM 512 CE LYS A 36 -6.019 4.133 9.497 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.323 4.579 10.737 1.00 2.76 N ATOM 0 H LYS A 36 -3.355 5.632 4.088 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.845 4.543 4.225 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -3.956 3.949 5.692 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.027 5.516 6.473 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.644 4.230 6.566 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -5.420 3.154 7.212 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.636 5.415 8.462 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -6.319 5.839 8.221 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -7.098 4.179 9.646 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -5.770 3.092 9.292 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -5.607 3.972 11.532 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -4.294 4.512 10.601 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -5.581 5.565 10.944 1.00 2.76 H new ATOM 527 N ASP A 37 -5.908 7.637 5.239 1.00 0.40 N ATOM 528 CA ASP A 37 -6.783 8.733 5.643 1.00 0.45 C ATOM 529 C ASP A 37 -7.378 9.440 4.429 1.00 0.44 C ATOM 530 O ASP A 37 -8.543 9.835 4.441 1.00 0.60 O ATOM 531 CB ASP A 37 -6.002 9.733 6.491 1.00 0.51 C ATOM 532 CG ASP A 37 -6.955 10.697 7.186 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.429 10.369 8.293 1.00 1.56 O ATOM 534 OD2 ASP A 37 -7.223 11.778 6.622 1.00 1.37 O ATOM 0 H ASP A 37 -4.958 7.922 5.001 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.602 8.316 6.230 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.406 9.203 7.233 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.307 10.289 5.862 1.00 0.51 H new ATOM 539 N GLN A 38 -6.570 9.608 3.388 1.00 0.41 N ATOM 540 CA GLN A 38 -7.014 10.279 2.170 1.00 0.46 C ATOM 541 C GLN A 38 -7.898 9.372 1.319 1.00 0.42 C ATOM 542 O GLN A 38 -8.626 9.848 0.446 1.00 0.68 O ATOM 543 CB GLN A 38 -5.811 10.730 1.358 1.00 0.54 C ATOM 544 CG GLN A 38 -6.165 11.904 0.454 1.00 0.65 C ATOM 545 CD GLN A 38 -6.701 13.072 1.272 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.318 13.262 2.428 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.588 13.856 0.674 1.00 1.66 N ATOM 0 H GLN A 38 -5.602 9.288 3.363 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.605 11.146 2.465 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -5.002 11.016 2.030 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.445 9.900 0.754 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.283 12.219 -0.104 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.911 11.594 -0.278 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.876 13.661 -0.285 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.982 14.654 1.173 1.00 1.66 H new ATOM 556 N TYR A 39 -7.833 8.068 1.566 1.00 0.34 N ATOM 557 CA TYR A 39 -8.628 7.109 0.808 1.00 0.34 C ATOM 558 C TYR A 39 -9.384 6.153 1.731 1.00 0.30 C ATOM 559 O TYR A 39 -10.066 5.243 1.258 1.00 0.32 O ATOM 560 CB TYR A 39 -7.720 6.314 -0.126 1.00 0.39 C ATOM 561 CG TYR A 39 -7.140 7.148 -1.241 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.941 7.815 -1.057 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.801 7.250 -2.452 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.407 8.580 -2.079 1.00 0.62 C ATOM 565 CE2 TYR A 39 -7.266 8.015 -3.474 1.00 0.73 C ATOM 566 CZ TYR A 39 -6.071 8.676 -3.282 1.00 0.66 C ATOM 567 OH TYR A 39 -5.540 9.436 -4.299 1.00 0.77 O ATOM 0 H TYR A 39 -7.239 7.652 2.283 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.363 7.665 0.226 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.907 5.877 0.453 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.286 5.487 -0.556 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.421 7.738 -0.114 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.737 6.731 -2.600 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.472 9.101 -1.934 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.783 8.094 -4.419 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.088 8.851 -4.943 1.00 0.77 H new ATOM 577 N LYS A 40 -9.269 6.352 3.046 1.00 0.28 N ATOM 578 CA LYS A 40 -9.954 5.493 4.010 1.00 0.31 C ATOM 579 C LYS A 40 -9.692 4.026 3.694 1.00 0.29 C ATOM 580 O LYS A 40 -10.625 3.238 3.543 1.00 0.39 O ATOM 581 CB LYS A 40 -11.453 5.768 3.981 1.00 0.38 C ATOM 582 CG LYS A 40 -11.752 7.264 4.019 1.00 0.86 C ATOM 583 CD LYS A 40 -13.155 7.542 4.550 1.00 1.29 C ATOM 584 CE LYS A 40 -13.126 8.505 5.733 1.00 1.88 C ATOM 585 NZ LYS A 40 -12.740 7.808 6.991 1.00 2.56 N ATOM 0 H LYS A 40 -8.711 7.096 3.464 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.569 5.712 5.006 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.886 5.333 3.080 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.929 5.280 4.831 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.018 7.767 4.648 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.652 7.681 3.017 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.770 7.961 3.754 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.622 6.605 4.854 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -12.421 9.311 5.531 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.107 8.963 5.855 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -12.729 8.490 7.776 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.427 7.055 7.195 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -11.793 7.392 6.881 1.00 2.56 H new ATOM 599 N VAL A 41 -8.418 3.667 3.584 1.00 0.23 N ATOM 600 CA VAL A 41 -8.035 2.295 3.272 1.00 0.23 C ATOM 601 C VAL A 41 -7.008 1.776 4.269 1.00 0.27 C ATOM 602 O VAL A 41 -6.673 2.454 5.242 1.00 0.33 O ATOM 603 CB VAL A 41 -7.466 2.234 1.859 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.586 2.326 0.829 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.443 3.345 1.643 1.00 0.23 C ATOM 0 H VAL A 41 -7.633 4.307 3.706 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.921 1.663 3.338 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.961 1.277 1.732 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.162 2.281 -0.174 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.278 1.495 0.968 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -9.120 3.268 0.955 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -6.049 3.284 0.629 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.921 4.313 1.789 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.627 3.232 2.357 1.00 0.23 H new ATOM 615 N SER A 42 -6.511 0.569 4.021 1.00 0.29 N ATOM 616 CA SER A 42 -5.523 -0.049 4.894 1.00 0.34 C ATOM 617 C SER A 42 -4.240 -0.340 4.125 1.00 0.30 C ATOM 618 O SER A 42 -4.020 -1.459 3.665 1.00 0.36 O ATOM 619 CB SER A 42 -6.081 -1.342 5.479 1.00 0.43 C ATOM 620 OG SER A 42 -5.363 -1.703 6.651 1.00 0.93 O ATOM 0 H SER A 42 -6.778 -0.002 3.219 1.00 0.29 H new ATOM 0 HA SER A 42 -5.295 0.643 5.705 1.00 0.34 H new ATOM 0 HB2 SER A 42 -7.137 -1.216 5.716 1.00 0.43 H new ATOM 0 HB3 SER A 42 -6.013 -2.142 4.742 1.00 0.43 H new ATOM 0 HG SER A 42 -5.732 -2.534 7.018 1.00 0.93 H new ATOM 626 N VAL A 43 -3.396 0.678 3.994 1.00 0.33 N ATOM 627 CA VAL A 43 -2.129 0.538 3.287 1.00 0.34 C ATOM 628 C VAL A 43 -1.005 0.283 4.283 1.00 0.35 C ATOM 629 O VAL A 43 -0.886 0.985 5.287 1.00 0.55 O ATOM 630 CB VAL A 43 -1.841 1.801 2.478 1.00 0.49 C ATOM 631 CG1 VAL A 43 -1.919 3.040 3.367 1.00 1.25 C ATOM 632 CG2 VAL A 43 -0.479 1.711 1.795 1.00 0.54 C ATOM 0 H VAL A 43 -3.567 1.611 4.369 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.193 -0.309 2.604 1.00 0.34 H new ATOM 0 HB VAL A 43 -2.602 1.888 1.703 1.00 0.49 H new ATOM 0 HG11 VAL A 43 -1.711 3.929 2.771 1.00 1.25 H new ATOM 0 HG12 VAL A 43 -2.918 3.117 3.797 1.00 1.25 H new ATOM 0 HG13 VAL A 43 -1.184 2.960 4.168 1.00 1.25 H new ATOM 0 HG21 VAL A 43 -0.297 2.622 1.225 1.00 0.54 H new ATOM 0 HG22 VAL A 43 0.299 1.593 2.549 1.00 0.54 H new ATOM 0 HG23 VAL A 43 -0.465 0.853 1.122 1.00 0.54 H new ATOM 642 N ARG A 44 -0.188 -0.729 4.011 1.00 0.31 N ATOM 643 CA ARG A 44 0.915 -1.070 4.902 1.00 0.42 C ATOM 644 C ARG A 44 2.164 -1.448 4.114 1.00 0.40 C ATOM 645 O ARG A 44 2.087 -2.141 3.098 1.00 0.41 O ATOM 646 CB ARG A 44 0.510 -2.229 5.813 1.00 0.52 C ATOM 647 CG ARG A 44 -0.935 -2.098 6.290 1.00 0.78 C ATOM 648 CD ARG A 44 -1.400 -3.354 7.023 1.00 1.05 C ATOM 649 NE ARG A 44 -1.160 -4.538 6.205 1.00 1.31 N ATOM 650 CZ ARG A 44 -0.499 -5.591 6.676 1.00 1.74 C ATOM 651 NH1 ARG A 44 0.647 -5.424 7.322 1.00 2.27 N ATOM 652 NH2 ARG A 44 -0.985 -6.813 6.503 1.00 2.28 N ATOM 0 H ARG A 44 -0.268 -1.324 3.186 1.00 0.31 H new ATOM 0 HA ARG A 44 1.144 -0.192 5.507 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.632 -3.171 5.279 1.00 0.52 H new ATOM 0 HB3 ARG A 44 1.176 -2.263 6.675 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.024 -1.236 6.951 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.586 -1.913 5.435 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.871 -3.446 7.972 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.462 -3.275 7.257 1.00 1.05 H new ATOM 0 HE ARG A 44 -1.508 -4.558 5.247 1.00 1.31 H new ATOM 0 HH11 ARG A 44 1.023 -4.486 7.459 1.00 2.27 H new ATOM 0 HH12 ARG A 44 1.152 -6.234 7.682 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -1.867 -6.946 6.008 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -0.477 -7.620 6.865 1.00 2.28 H new ATOM 666 N ILE A 45 3.315 -0.997 4.604 1.00 0.46 N ATOM 667 CA ILE A 45 4.598 -1.287 3.972 1.00 0.47 C ATOM 668 C ILE A 45 5.349 -2.331 4.805 1.00 0.53 C ATOM 669 O ILE A 45 5.979 -1.999 5.808 1.00 0.64 O ATOM 670 CB ILE A 45 5.410 0.015 3.836 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.885 0.848 2.668 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.906 -0.252 3.658 1.00 0.60 C ATOM 673 CD1 ILE A 45 5.210 0.203 1.321 1.00 0.56 C ATOM 0 H ILE A 45 3.385 -0.424 5.445 1.00 0.46 H new ATOM 0 HA ILE A 45 4.443 -1.695 2.973 1.00 0.47 H new ATOM 0 HB ILE A 45 5.285 0.571 4.765 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.806 0.968 2.763 1.00 0.59 H new ATOM 0 HG13 ILE A 45 5.321 1.846 2.708 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.436 0.696 3.566 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.284 -0.797 4.523 1.00 0.60 H new ATOM 0 HG23 ILE A 45 7.065 -0.845 2.757 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.820 0.826 0.516 1.00 0.56 H new ATOM 0 HD12 ILE A 45 6.291 0.107 1.215 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.752 -0.785 1.270 1.00 0.56 H new ATOM 685 N PRO A 46 5.281 -3.612 4.400 1.00 0.48 N ATOM 686 CA PRO A 46 5.947 -4.701 5.121 1.00 0.58 C ATOM 687 C PRO A 46 7.437 -4.790 4.795 1.00 0.61 C ATOM 688 O PRO A 46 7.814 -5.119 3.671 1.00 0.56 O ATOM 689 CB PRO A 46 5.207 -5.946 4.643 1.00 0.57 C ATOM 690 CG PRO A 46 4.657 -5.595 3.298 1.00 0.47 C ATOM 691 CD PRO A 46 4.543 -4.095 3.223 1.00 0.41 C ATOM 0 HA PRO A 46 5.909 -4.561 6.201 1.00 0.58 H new ATOM 0 HB2 PRO A 46 5.879 -6.802 4.580 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.409 -6.217 5.334 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.310 -5.968 2.509 1.00 0.47 H new ATOM 0 HG3 PRO A 46 3.682 -6.060 3.151 1.00 0.47 H new ATOM 0 HD2 PRO A 46 4.973 -3.710 2.299 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.502 -3.774 3.248 1.00 0.41 H new ATOM 699 N PRO A 47 8.310 -4.500 5.779 1.00 0.74 N ATOM 700 CA PRO A 47 9.760 -4.553 5.583 1.00 0.81 C ATOM 701 C PRO A 47 10.309 -5.971 5.719 1.00 0.87 C ATOM 702 O PRO A 47 11.265 -6.207 6.458 1.00 1.53 O ATOM 703 CB PRO A 47 10.299 -3.647 6.685 1.00 0.98 C ATOM 704 CG PRO A 47 9.261 -3.656 7.764 1.00 1.03 C ATOM 705 CD PRO A 47 7.954 -4.096 7.148 1.00 0.85 C ATOM 0 HA PRO A 47 10.054 -4.237 4.582 1.00 0.81 H new ATOM 0 HB2 PRO A 47 11.255 -4.013 7.059 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.468 -2.636 6.313 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.551 -4.333 8.567 1.00 1.03 H new ATOM 0 HG3 PRO A 47 9.160 -2.664 8.205 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.512 -4.923 7.704 1.00 0.85 H new ATOM 0 HD3 PRO A 47 7.224 -3.287 7.146 1.00 0.85 H new ATOM 713 N ASP A 48 9.697 -6.913 5.007 1.00 1.32 N ATOM 714 CA ASP A 48 10.127 -8.308 5.054 1.00 1.46 C ATOM 715 C ASP A 48 11.618 -8.422 4.766 1.00 1.48 C ATOM 716 O ASP A 48 12.349 -9.099 5.487 1.00 2.18 O ATOM 717 CB ASP A 48 9.338 -9.132 4.041 1.00 2.16 C ATOM 718 CG ASP A 48 8.328 -10.021 4.754 1.00 2.56 C ATOM 719 OD1 ASP A 48 8.737 -10.779 5.658 1.00 3.03 O ATOM 720 OD2 ASP A 48 7.130 -9.957 4.407 1.00 3.01 O ATOM 0 H ASP A 48 8.903 -6.737 4.391 1.00 1.32 H new ATOM 0 HA ASP A 48 9.937 -8.693 6.056 1.00 1.46 H new ATOM 0 HB2 ASP A 48 8.822 -8.469 3.346 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.019 -9.745 3.451 1.00 2.16 H new ATOM 725 N SER A 49 12.064 -7.755 3.706 1.00 1.59 N ATOM 726 CA SER A 49 13.470 -7.782 3.320 1.00 2.11 C ATOM 727 C SER A 49 13.720 -6.842 2.148 1.00 1.90 C ATOM 728 O SER A 49 12.855 -6.049 1.779 1.00 2.33 O ATOM 729 CB SER A 49 13.879 -9.202 2.942 1.00 3.03 C ATOM 730 OG SER A 49 15.258 -9.252 2.609 1.00 3.81 O ATOM 0 H SER A 49 11.471 -7.189 3.099 1.00 1.59 H new ATOM 0 HA SER A 49 14.069 -7.449 4.168 1.00 2.11 H new ATOM 0 HB2 SER A 49 13.675 -9.878 3.772 1.00 3.03 H new ATOM 0 HB3 SER A 49 13.282 -9.545 2.097 1.00 3.03 H new ATOM 0 HG SER A 49 15.764 -8.681 3.224 1.00 3.81 H new ATOM 736 N GLU A 50 14.913 -6.936 1.565 1.00 1.92 N ATOM 737 CA GLU A 50 15.280 -6.094 0.433 1.00 2.27 C ATOM 738 C GLU A 50 15.143 -6.865 -0.874 1.00 2.09 C ATOM 739 O GLU A 50 14.929 -6.275 -1.933 1.00 2.74 O ATOM 740 CB GLU A 50 16.715 -5.599 0.594 1.00 3.06 C ATOM 741 CG GLU A 50 17.696 -6.756 0.748 1.00 3.83 C ATOM 742 CD GLU A 50 16.997 -7.967 1.349 1.00 4.43 C ATOM 743 OE1 GLU A 50 16.936 -8.063 2.593 1.00 4.97 O ATOM 744 OE2 GLU A 50 16.508 -8.817 0.575 1.00 4.75 O ATOM 0 H GLU A 50 15.641 -7.587 1.859 1.00 1.92 H new ATOM 0 HA GLU A 50 14.606 -5.238 0.406 1.00 2.27 H new ATOM 0 HB2 GLU A 50 16.993 -4.999 -0.273 1.00 3.06 H new ATOM 0 HB3 GLU A 50 16.780 -4.948 1.466 1.00 3.06 H new ATOM 0 HG2 GLU A 50 18.117 -7.016 -0.223 1.00 3.83 H new ATOM 0 HG3 GLU A 50 18.527 -6.454 1.385 1.00 3.83 H new ATOM 751 N LYS A 51 15.264 -8.186 -0.792 1.00 1.76 N ATOM 752 CA LYS A 51 15.152 -9.039 -1.969 1.00 1.77 C ATOM 753 C LYS A 51 13.690 -9.313 -2.296 1.00 1.55 C ATOM 754 O LYS A 51 13.238 -9.075 -3.415 1.00 2.20 O ATOM 755 CB LYS A 51 15.882 -10.357 -1.728 1.00 2.14 C ATOM 756 CG LYS A 51 15.999 -11.178 -3.009 1.00 2.60 C ATOM 757 CD LYS A 51 17.118 -12.211 -2.913 1.00 3.36 C ATOM 758 CE LYS A 51 18.268 -11.884 -3.861 1.00 4.12 C ATOM 759 NZ LYS A 51 18.833 -10.536 -3.580 1.00 4.81 N ATOM 0 H LYS A 51 15.440 -8.689 0.078 1.00 1.76 H new ATOM 0 HA LYS A 51 15.608 -8.523 -2.814 1.00 1.77 H new ATOM 0 HB2 LYS A 51 16.878 -10.155 -1.333 1.00 2.14 H new ATOM 0 HB3 LYS A 51 15.350 -10.935 -0.972 1.00 2.14 H new ATOM 0 HG2 LYS A 51 15.053 -11.682 -3.206 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.188 -10.513 -3.852 1.00 2.60 H new ATOM 0 HD2 LYS A 51 17.490 -12.251 -1.889 1.00 3.36 H new ATOM 0 HD3 LYS A 51 16.723 -13.199 -3.147 1.00 3.36 H new ATOM 0 HE2 LYS A 51 19.050 -12.637 -3.761 1.00 4.12 H new ATOM 0 HE3 LYS A 51 17.916 -11.926 -4.892 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 19.791 -10.471 -3.980 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 18.227 -9.809 -4.011 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 18.876 -10.385 -2.552 1.00 4.81 H new ATOM 773 N SER A 52 12.955 -9.818 -1.310 1.00 1.19 N ATOM 774 CA SER A 52 11.542 -10.128 -1.490 1.00 1.04 C ATOM 775 C SER A 52 10.671 -9.124 -0.748 1.00 0.92 C ATOM 776 O SER A 52 10.682 -9.065 0.482 1.00 1.19 O ATOM 777 CB SER A 52 11.251 -11.539 -0.986 1.00 1.25 C ATOM 778 OG SER A 52 12.233 -12.450 -1.456 1.00 2.03 O ATOM 0 H SER A 52 13.315 -10.021 -0.378 1.00 1.19 H new ATOM 0 HA SER A 52 11.309 -10.069 -2.553 1.00 1.04 H new ATOM 0 HB2 SER A 52 11.233 -11.545 0.104 1.00 1.25 H new ATOM 0 HB3 SER A 52 10.264 -11.855 -1.323 1.00 1.25 H new ATOM 0 HG SER A 52 12.032 -13.349 -1.122 1.00 2.03 H new ATOM 784 N ASN A 53 9.912 -8.337 -1.503 1.00 0.68 N ATOM 785 CA ASN A 53 9.027 -7.335 -0.922 1.00 0.61 C ATOM 786 C ASN A 53 7.608 -7.519 -1.444 1.00 0.59 C ATOM 787 O ASN A 53 7.408 -7.982 -2.568 1.00 0.99 O ATOM 788 CB ASN A 53 9.532 -5.934 -1.257 1.00 0.60 C ATOM 789 CG ASN A 53 9.897 -5.184 0.017 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.399 -5.497 1.098 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.771 -4.192 -0.108 1.00 1.28 N ATOM 0 H ASN A 53 9.892 -8.374 -2.522 1.00 0.68 H new ATOM 0 HA ASN A 53 9.020 -7.459 0.161 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.402 -6.000 -1.910 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.765 -5.385 -1.803 1.00 0.60 H new ATOM 0 HD21 ASN A 53 11.054 -3.656 0.712 1.00 1.28 H new ATOM 0 HD22 ASN A 53 11.159 -3.967 -1.024 1.00 1.28 H new ATOM 798 N LEU A 54 6.626 -7.164 -0.625 1.00 0.55 N ATOM 799 CA LEU A 54 5.225 -7.301 -1.007 1.00 0.51 C ATOM 800 C LEU A 54 4.352 -6.347 -0.202 1.00 0.44 C ATOM 801 O LEU A 54 3.986 -6.643 0.935 1.00 0.57 O ATOM 802 CB LEU A 54 4.763 -8.738 -0.769 1.00 0.65 C ATOM 803 CG LEU A 54 4.576 -9.502 -2.077 1.00 0.82 C ATOM 804 CD1 LEU A 54 4.209 -10.957 -1.803 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.513 -8.836 -2.945 1.00 1.49 C ATOM 0 H LEU A 54 6.773 -6.779 0.308 1.00 0.55 H new ATOM 0 HA LEU A 54 5.130 -7.055 -2.065 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.494 -9.256 -0.148 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.824 -8.730 -0.216 1.00 0.65 H new ATOM 0 HG LEU A 54 5.521 -9.483 -2.619 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.080 -11.484 -2.748 1.00 1.49 H new ATOM 0 HD12 LEU A 54 5.005 -11.431 -1.229 1.00 1.49 H new ATOM 0 HD13 LEU A 54 3.279 -10.997 -1.236 1.00 1.49 H new ATOM 0 HD21 LEU A 54 3.396 -9.397 -3.872 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.564 -8.819 -2.409 1.00 1.49 H new ATOM 0 HD23 LEU A 54 3.818 -7.815 -3.175 1.00 1.49 H new ATOM 817 N ILE A 55 4.006 -5.206 -0.793 1.00 0.31 N ATOM 818 CA ILE A 55 3.162 -4.231 -0.111 1.00 0.26 C ATOM 819 C ILE A 55 1.740 -4.765 -0.010 1.00 0.27 C ATOM 820 O ILE A 55 1.275 -5.480 -0.896 1.00 0.34 O ATOM 821 CB ILE A 55 3.176 -2.896 -0.851 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.611 -2.404 -1.038 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.348 -1.859 -0.100 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.657 -1.021 -1.685 1.00 0.35 C ATOM 0 H ILE A 55 4.294 -4.936 -1.734 1.00 0.31 H new ATOM 0 HA ILE A 55 3.554 -4.067 0.893 1.00 0.26 H new ATOM 0 HB ILE A 55 2.731 -3.043 -1.835 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.112 -2.370 -0.071 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.161 -3.113 -1.657 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.370 -0.914 -0.642 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.318 -2.206 -0.017 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.763 -1.715 0.897 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.695 -0.708 -1.800 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.179 -1.061 -2.664 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.130 -0.306 -1.053 1.00 0.35 H new ATOM 836 N ARG A 56 1.057 -4.436 1.083 1.00 0.29 N ATOM 837 CA ARG A 56 -0.304 -4.912 1.295 1.00 0.32 C ATOM 838 C ARG A 56 -1.304 -3.763 1.316 1.00 0.29 C ATOM 839 O ARG A 56 -1.243 -2.887 2.179 1.00 0.42 O ATOM 840 CB ARG A 56 -0.383 -5.684 2.609 1.00 0.42 C ATOM 841 CG ARG A 56 0.082 -7.128 2.440 1.00 0.55 C ATOM 842 CD ARG A 56 1.141 -7.502 3.474 1.00 0.84 C ATOM 843 NE ARG A 56 1.783 -8.761 3.114 1.00 1.44 N ATOM 844 CZ ARG A 56 2.598 -9.395 3.952 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.132 -9.874 5.097 1.00 2.33 N ATOM 846 NH2 ARG A 56 3.878 -9.553 3.643 1.00 2.19 N ATOM 0 H ARG A 56 1.422 -3.846 1.830 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.561 -5.568 0.463 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.232 -5.189 3.360 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.409 -5.672 2.978 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.772 -7.799 2.534 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.487 -7.265 1.437 1.00 0.55 H new ATOM 0 HD2 ARG A 56 1.889 -6.711 3.540 1.00 0.84 H new ATOM 0 HD3 ARG A 56 0.682 -7.590 4.459 1.00 0.84 H new ATOM 0 HE ARG A 56 1.602 -9.166 2.195 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.147 -9.756 5.336 1.00 2.33 H new ATOM 0 HH12 ARG A 56 2.758 -10.360 5.739 1.00 2.33 H new ATOM 0 HH21 ARG A 56 4.239 -9.188 2.761 1.00 2.19 H new ATOM 0 HH22 ARG A 56 4.502 -10.040 4.287 1.00 2.19 H new ATOM 860 N ILE A 57 -2.240 -3.789 0.371 1.00 0.24 N ATOM 861 CA ILE A 57 -3.277 -2.770 0.284 1.00 0.24 C ATOM 862 C ILE A 57 -4.647 -3.427 0.373 1.00 0.26 C ATOM 863 O ILE A 57 -4.926 -4.386 -0.343 1.00 0.40 O ATOM 864 CB ILE A 57 -3.168 -2.005 -1.031 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.740 -1.518 -1.266 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.142 -0.833 -1.048 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.261 -0.613 -0.136 1.00 1.32 C ATOM 0 H ILE A 57 -2.300 -4.510 -0.348 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.147 -2.071 1.110 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.429 -2.686 -1.841 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.073 -2.375 -1.354 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.690 -0.978 -2.211 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.051 -0.298 -1.993 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.161 -1.205 -0.938 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.912 -0.157 -0.225 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.241 -0.287 -0.339 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.913 0.257 -0.066 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.286 -1.162 0.805 1.00 1.32 H new ATOM 879 N GLU A 58 -5.502 -2.919 1.251 1.00 0.23 N ATOM 880 CA GLU A 58 -6.836 -3.481 1.412 1.00 0.25 C ATOM 881 C GLU A 58 -7.784 -2.467 2.031 1.00 0.24 C ATOM 882 O GLU A 58 -7.401 -1.689 2.903 1.00 0.26 O ATOM 883 CB GLU A 58 -6.774 -4.733 2.282 1.00 0.32 C ATOM 884 CG GLU A 58 -8.141 -5.397 2.410 1.00 0.37 C ATOM 885 CD GLU A 58 -8.173 -6.314 3.626 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.280 -7.180 3.742 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.090 -6.166 4.461 1.00 1.47 O ATOM 0 H GLU A 58 -5.298 -2.125 1.858 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.215 -3.746 0.425 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.064 -5.440 1.853 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.402 -4.470 3.272 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.916 -4.635 2.500 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.360 -5.969 1.509 1.00 0.37 H new ATOM 894 N GLY A 59 -9.023 -2.488 1.562 1.00 0.25 N ATOM 895 CA GLY A 59 -10.053 -1.580 2.045 1.00 0.27 C ATOM 896 C GLY A 59 -11.429 -2.177 1.793 1.00 0.39 C ATOM 897 O GLY A 59 -11.723 -3.288 2.238 1.00 0.59 O ATOM 0 H GLY A 59 -9.342 -3.132 0.839 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.917 -1.395 3.111 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.967 -0.617 1.541 1.00 0.27 H new ATOM 901 N ASP A 60 -12.264 -1.448 1.064 1.00 0.53 N ATOM 902 CA ASP A 60 -13.601 -1.932 0.747 1.00 0.70 C ATOM 903 C ASP A 60 -14.233 -1.113 -0.371 1.00 0.59 C ATOM 904 O ASP A 60 -14.492 -1.630 -1.458 1.00 1.04 O ATOM 905 CB ASP A 60 -14.486 -1.893 1.990 1.00 1.22 C ATOM 906 CG ASP A 60 -14.814 -3.307 2.449 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.002 -3.894 3.194 1.00 2.31 O ATOM 908 OD2 ASP A 60 -15.882 -3.826 2.062 1.00 2.66 O ATOM 0 H ASP A 60 -12.042 -0.528 0.684 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.512 -2.963 0.404 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.979 -1.352 2.789 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.406 -1.351 1.773 1.00 1.22 H new ATOM 913 N PRO A 61 -14.493 0.181 -0.125 1.00 0.72 N ATOM 914 CA PRO A 61 -15.101 1.057 -1.133 1.00 1.14 C ATOM 915 C PRO A 61 -14.127 1.392 -2.255 1.00 0.88 C ATOM 916 O PRO A 61 -13.090 0.746 -2.404 1.00 1.22 O ATOM 917 CB PRO A 61 -15.489 2.303 -0.342 1.00 1.82 C ATOM 918 CG PRO A 61 -14.571 2.322 0.833 1.00 1.82 C ATOM 919 CD PRO A 61 -14.217 0.889 1.138 1.00 1.17 C ATOM 0 HA PRO A 61 -15.951 0.590 -1.631 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -15.375 3.204 -0.945 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.531 2.260 -0.027 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.675 2.902 0.613 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -15.052 2.792 1.691 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -13.172 0.789 1.432 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.818 0.494 1.957 1.00 1.17 H new ATOM 927 N GLN A 62 -14.463 2.411 -3.038 1.00 0.64 N ATOM 928 CA GLN A 62 -13.613 2.837 -4.142 1.00 0.47 C ATOM 929 C GLN A 62 -12.249 3.302 -3.630 1.00 0.41 C ATOM 930 O GLN A 62 -11.303 3.436 -4.405 1.00 0.47 O ATOM 931 CB GLN A 62 -14.289 3.972 -4.906 1.00 0.69 C ATOM 932 CG GLN A 62 -15.179 3.443 -6.028 1.00 0.85 C ATOM 933 CD GLN A 62 -16.365 4.373 -6.246 1.00 1.34 C ATOM 934 OE1 GLN A 62 -16.231 5.595 -6.171 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.529 3.795 -6.516 1.00 1.73 N ATOM 0 H GLN A 62 -15.318 2.957 -2.928 1.00 0.64 H new ATOM 0 HA GLN A 62 -13.462 1.987 -4.808 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.887 4.569 -4.218 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -13.530 4.633 -5.324 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.602 3.357 -6.949 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.534 2.443 -5.779 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.594 2.778 -6.568 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -18.359 4.367 -6.671 1.00 1.73 H new ATOM 944 N GLY A 63 -12.157 3.560 -2.327 1.00 0.37 N ATOM 945 CA GLY A 63 -10.917 4.022 -1.716 1.00 0.34 C ATOM 946 C GLY A 63 -9.769 3.036 -1.918 1.00 0.27 C ATOM 947 O GLY A 63 -8.648 3.444 -2.218 1.00 0.29 O ATOM 0 H GLY A 63 -12.932 3.455 -1.673 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.643 4.987 -2.141 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -11.076 4.177 -0.649 1.00 0.34 H new ATOM 951 N VAL A 64 -10.035 1.744 -1.733 1.00 0.24 N ATOM 952 CA VAL A 64 -8.989 0.736 -1.879 1.00 0.21 C ATOM 953 C VAL A 64 -8.548 0.595 -3.337 1.00 0.24 C ATOM 954 O VAL A 64 -7.352 0.575 -3.628 1.00 0.28 O ATOM 955 CB VAL A 64 -9.442 -0.616 -1.302 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.289 -1.423 -2.284 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.224 -1.422 -0.869 1.00 0.26 C ATOM 0 H VAL A 64 -10.953 1.375 -1.485 1.00 0.24 H new ATOM 0 HA VAL A 64 -8.124 1.072 -1.307 1.00 0.21 H new ATOM 0 HB VAL A 64 -10.076 -0.406 -0.440 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.580 -2.367 -1.823 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -11.183 -0.856 -2.545 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.710 -1.623 -3.185 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.548 -2.379 -0.461 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.577 -1.595 -1.729 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.674 -0.870 -0.107 1.00 0.26 H new ATOM 967 N GLN A 65 -9.510 0.497 -4.249 1.00 0.25 N ATOM 968 CA GLN A 65 -9.196 0.358 -5.667 1.00 0.30 C ATOM 969 C GLN A 65 -8.459 1.593 -6.167 1.00 0.30 C ATOM 970 O GLN A 65 -7.578 1.499 -7.021 1.00 0.34 O ATOM 971 CB GLN A 65 -10.475 0.148 -6.474 1.00 0.37 C ATOM 972 CG GLN A 65 -11.353 1.395 -6.471 1.00 0.42 C ATOM 973 CD GLN A 65 -12.544 1.206 -7.402 1.00 0.78 C ATOM 974 OE1 GLN A 65 -12.931 2.274 -8.090 1.00 1.56 O flip ATOM 975 NE2 GLN A 65 -13.103 0.115 -7.499 1.00 0.82 N flip ATOM 0 H GLN A 65 -10.507 0.511 -4.034 1.00 0.25 H new ATOM 0 HA GLN A 65 -8.552 -0.512 -5.797 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -10.219 -0.115 -7.500 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -11.033 -0.692 -6.060 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.703 1.599 -5.459 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.769 2.260 -6.787 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.771 -0.679 -6.951 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -13.898 0.004 -8.128 1.00 0.82 H new ATOM 984 N GLN A 66 -8.820 2.750 -5.622 1.00 0.29 N ATOM 985 CA GLN A 66 -8.190 4.007 -6.003 1.00 0.31 C ATOM 986 C GLN A 66 -6.749 4.041 -5.514 1.00 0.29 C ATOM 987 O GLN A 66 -5.829 4.317 -6.284 1.00 0.36 O ATOM 988 CB GLN A 66 -8.968 5.181 -5.414 1.00 0.35 C ATOM 989 CG GLN A 66 -9.796 5.896 -6.478 1.00 0.79 C ATOM 990 CD GLN A 66 -10.996 6.585 -5.840 1.00 1.10 C ATOM 991 OE1 GLN A 66 -10.884 7.191 -4.774 1.00 2.03 O ATOM 992 NE2 GLN A 66 -12.149 6.493 -6.492 1.00 1.31 N ATOM 0 H GLN A 66 -9.548 2.842 -4.913 1.00 0.29 H new ATOM 0 HA GLN A 66 -8.195 4.087 -7.090 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.625 4.822 -4.621 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.273 5.886 -4.958 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -9.179 6.631 -6.996 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.135 5.180 -7.227 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -12.197 5.981 -7.373 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -12.986 6.934 -6.112 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.557 3.749 -4.231 1.00 0.26 N ATOM 1002 CA ALA A 67 -5.225 3.737 -3.640 1.00 0.27 C ATOM 1003 C ALA A 67 -4.373 2.661 -4.297 1.00 0.26 C ATOM 1004 O ALA A 67 -3.185 2.861 -4.549 1.00 0.30 O ATOM 1005 CB ALA A 67 -5.317 3.483 -2.139 1.00 0.29 C ATOM 0 H ALA A 67 -7.308 3.518 -3.581 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.760 4.709 -3.805 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -4.315 3.476 -1.709 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.907 4.272 -1.672 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.794 2.519 -1.962 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.992 1.518 -4.582 1.00 0.25 N ATOM 1012 CA LYS A 68 -4.297 0.409 -5.222 1.00 0.28 C ATOM 1013 C LYS A 68 -3.621 0.887 -6.498 1.00 0.31 C ATOM 1014 O LYS A 68 -2.398 1.002 -6.562 1.00 0.44 O ATOM 1015 CB LYS A 68 -5.290 -0.703 -5.547 1.00 0.32 C ATOM 1016 CG LYS A 68 -4.611 -1.874 -6.248 1.00 0.37 C ATOM 1017 CD LYS A 68 -5.623 -2.916 -6.708 1.00 0.43 C ATOM 1018 CE LYS A 68 -5.178 -3.580 -8.004 1.00 0.57 C ATOM 1019 NZ LYS A 68 -6.319 -3.761 -8.944 1.00 0.88 N ATOM 0 H LYS A 68 -5.975 1.337 -4.379 1.00 0.25 H new ATOM 0 HA LYS A 68 -3.538 0.024 -4.541 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.760 -1.052 -4.628 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -6.084 -0.309 -6.182 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -4.049 -1.508 -7.107 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.893 -2.337 -5.571 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.748 -3.672 -5.933 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -6.595 -2.444 -6.853 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -4.407 -2.973 -8.479 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -4.730 -4.549 -7.783 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -5.981 -4.216 -9.816 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -7.043 -4.360 -8.499 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -6.730 -2.834 -9.174 1.00 0.88 H new ATOM 1033 N ARG A 69 -4.428 1.176 -7.513 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.911 1.659 -8.787 1.00 0.43 C ATOM 1035 C ARG A 69 -3.060 2.901 -8.559 1.00 0.42 C ATOM 1036 O ARG A 69 -1.993 3.056 -9.153 1.00 0.46 O ATOM 1037 CB ARG A 69 -5.064 1.985 -9.732 1.00 0.50 C ATOM 1038 CG ARG A 69 -4.881 1.317 -11.091 1.00 1.02 C ATOM 1039 CD ARG A 69 -5.284 2.245 -12.232 1.00 1.36 C ATOM 1040 NE ARG A 69 -6.037 1.511 -13.243 1.00 1.81 N ATOM 1041 CZ ARG A 69 -7.090 2.044 -13.853 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -7.167 3.356 -14.024 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -8.069 1.263 -14.292 1.00 2.98 N ATOM 0 H ARG A 69 -5.443 1.084 -7.478 1.00 0.36 H new ATOM 0 HA ARG A 69 -3.296 0.881 -9.238 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -6.004 1.656 -9.288 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.134 3.065 -9.863 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.839 1.020 -11.214 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -5.479 0.407 -11.133 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.887 3.066 -11.845 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -4.395 2.687 -12.681 1.00 1.36 H new ATOM 0 HE ARG A 69 -5.748 0.564 -13.488 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.417 3.959 -13.687 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -7.977 3.763 -14.493 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -8.013 0.253 -14.161 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -8.877 1.673 -14.760 1.00 2.98 H new ATOM 1057 N GLU A 70 -3.538 3.778 -7.681 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.826 5.007 -7.353 1.00 0.43 C ATOM 1059 C GLU A 70 -1.403 4.690 -6.900 1.00 0.44 C ATOM 1060 O GLU A 70 -0.508 5.531 -6.992 1.00 0.56 O ATOM 1061 CB GLU A 70 -3.576 5.757 -6.250 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.795 6.968 -5.744 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.027 8.166 -6.656 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.088 8.812 -6.530 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -2.149 8.454 -7.495 1.00 1.50 O ATOM 0 H GLU A 70 -4.420 3.658 -7.182 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.774 5.636 -8.242 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -4.545 6.083 -6.629 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -3.771 5.079 -5.419 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -3.105 7.211 -4.728 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.731 6.733 -5.705 1.00 0.59 H new ATOM 1072 N LEU A 71 -1.201 3.466 -6.420 1.00 0.40 N ATOM 1073 CA LEU A 71 0.100 3.020 -5.960 1.00 0.47 C ATOM 1074 C LEU A 71 0.898 2.523 -7.158 1.00 0.52 C ATOM 1075 O LEU A 71 2.013 2.973 -7.418 1.00 0.60 O ATOM 1076 CB LEU A 71 -0.131 1.927 -4.895 1.00 0.51 C ATOM 1077 CG LEU A 71 0.645 0.630 -5.120 1.00 0.78 C ATOM 1078 CD1 LEU A 71 2.148 0.879 -5.088 1.00 1.08 C ATOM 1079 CD2 LEU A 71 0.248 -0.417 -4.084 1.00 1.15 C ATOM 0 H LEU A 71 -1.935 2.762 -6.341 1.00 0.40 H new ATOM 0 HA LEU A 71 0.678 3.823 -5.503 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.139 2.330 -3.919 1.00 0.51 H new ATOM 0 HB3 LEU A 71 -1.195 1.694 -4.860 1.00 0.51 H new ATOM 0 HG LEU A 71 0.390 0.250 -6.109 1.00 0.78 H new ATOM 0 HD11 LEU A 71 2.676 -0.061 -5.251 1.00 1.08 H new ATOM 0 HD12 LEU A 71 2.416 1.587 -5.872 1.00 1.08 H new ATOM 0 HD13 LEU A 71 2.428 1.289 -4.118 1.00 1.08 H new ATOM 0 HD21 LEU A 71 0.810 -1.334 -4.260 1.00 1.15 H new ATOM 0 HD22 LEU A 71 0.468 -0.042 -3.085 1.00 1.15 H new ATOM 0 HD23 LEU A 71 -0.819 -0.624 -4.167 1.00 1.15 H new ATOM 1091 N LEU A 72 0.306 1.588 -7.879 1.00 0.52 N ATOM 1092 CA LEU A 72 0.937 1.009 -9.059 1.00 0.63 C ATOM 1093 C LEU A 72 1.349 2.101 -10.040 1.00 0.67 C ATOM 1094 O LEU A 72 2.294 1.930 -10.810 1.00 0.83 O ATOM 1095 CB LEU A 72 -0.024 0.038 -9.740 1.00 0.66 C ATOM 1096 CG LEU A 72 -0.407 -1.114 -8.816 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -1.921 -1.307 -8.793 1.00 1.99 C ATOM 1098 CD2 LEU A 72 0.295 -2.402 -9.239 1.00 1.04 C ATOM 0 H LEU A 72 -0.617 1.209 -7.669 1.00 0.52 H new ATOM 0 HA LEU A 72 1.831 0.471 -8.743 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.923 0.572 -10.049 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.438 -0.358 -10.644 1.00 0.66 H new ATOM 0 HG LEU A 72 -0.080 -0.864 -7.807 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -2.172 -2.133 -8.128 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -2.399 -0.395 -8.435 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -2.275 -1.531 -9.799 1.00 1.99 H new ATOM 0 HD21 LEU A 72 0.008 -3.211 -8.567 1.00 1.04 H new ATOM 0 HD22 LEU A 72 0.004 -2.657 -10.258 1.00 1.04 H new ATOM 0 HD23 LEU A 72 1.375 -2.259 -9.194 1.00 1.04 H new ATOM 1110 N GLU A 73 0.634 3.222 -10.010 1.00 0.64 N ATOM 1111 CA GLU A 73 0.925 4.341 -10.901 1.00 0.74 C ATOM 1112 C GLU A 73 2.044 5.207 -10.337 1.00 0.71 C ATOM 1113 O GLU A 73 3.143 5.252 -10.889 1.00 0.88 O ATOM 1114 CB GLU A 73 -0.327 5.187 -11.105 1.00 0.82 C ATOM 1115 CG GLU A 73 -1.370 4.452 -11.943 1.00 1.00 C ATOM 1116 CD GLU A 73 -1.389 4.999 -13.364 1.00 1.41 C ATOM 1117 OE1 GLU A 73 -1.148 6.212 -13.539 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -1.643 4.213 -14.302 1.00 2.01 O ATOM 0 H GLU A 73 -0.151 3.380 -9.378 1.00 0.64 H new ATOM 0 HA GLU A 73 1.249 3.937 -11.860 1.00 0.74 H new ATOM 0 HB2 GLU A 73 -0.754 5.446 -10.136 1.00 0.82 H new ATOM 0 HB3 GLU A 73 -0.059 6.123 -11.595 1.00 0.82 H new ATOM 0 HG2 GLU A 73 -1.147 3.385 -11.960 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -2.355 4.564 -11.490 1.00 1.00 H new ATOM 1125 N LEU A 74 1.756 5.900 -9.241 1.00 0.64 N ATOM 1126 CA LEU A 74 2.739 6.772 -8.607 1.00 0.71 C ATOM 1127 C LEU A 74 3.894 5.958 -8.039 1.00 0.82 C ATOM 1128 O LEU A 74 5.040 6.114 -8.458 1.00 1.13 O ATOM 1129 CB LEU A 74 2.075 7.583 -7.500 1.00 0.85 C ATOM 1130 CG LEU A 74 1.119 8.624 -8.072 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.166 8.687 -7.252 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.790 9.993 -8.137 1.00 1.32 C ATOM 0 H LEU A 74 0.850 5.875 -8.773 1.00 0.64 H new ATOM 0 HA LEU A 74 3.137 7.452 -9.360 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.531 6.914 -6.833 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.839 8.078 -6.901 1.00 0.85 H new ATOM 0 HG LEU A 74 0.857 8.326 -9.087 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -0.833 9.436 -7.678 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.656 7.713 -7.268 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.072 8.956 -6.223 1.00 1.19 H new ATOM 0 HD21 LEU A 74 1.091 10.722 -8.548 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.087 10.301 -7.134 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.672 9.936 -8.775 1.00 1.32 H new ATOM 1144 N ALA A 75 3.584 5.089 -7.085 1.00 0.78 N ATOM 1145 CA ALA A 75 4.594 4.246 -6.458 1.00 0.99 C ATOM 1146 C ALA A 75 5.363 3.458 -7.512 1.00 1.70 C ATOM 1147 O ALA A 75 6.539 3.718 -7.761 1.00 2.16 O ATOM 1148 CB ALA A 75 3.933 3.283 -5.478 1.00 1.14 C ATOM 0 H ALA A 75 2.639 4.949 -6.728 1.00 0.78 H new ATOM 0 HA ALA A 75 5.293 4.886 -5.920 1.00 0.99 H new ATOM 0 HB1 ALA A 75 4.695 2.657 -5.014 1.00 1.14 H new ATOM 0 HB2 ALA A 75 3.410 3.850 -4.708 1.00 1.14 H new ATOM 0 HB3 ALA A 75 3.221 2.653 -6.011 1.00 1.14 H new ATOM 1154 N SER A 76 4.688 2.493 -8.129 1.00 2.17 N ATOM 1155 CA SER A 76 5.305 1.664 -9.158 1.00 3.01 C ATOM 1156 C SER A 76 5.082 2.269 -10.538 1.00 3.57 C ATOM 1157 O SER A 76 5.209 1.531 -11.537 1.00 4.23 O ATOM 1158 CB SER A 76 4.725 0.256 -9.109 1.00 3.63 C ATOM 1159 OG SER A 76 5.768 -0.707 -9.045 1.00 4.36 O ATOM 1160 OXT SER A 76 4.782 3.478 -10.617 1.00 3.89 O ATOM 0 H SER A 76 3.713 2.266 -7.934 1.00 2.17 H new ATOM 0 HA SER A 76 6.377 1.617 -8.968 1.00 3.01 H new ATOM 0 HB2 SER A 76 4.073 0.154 -8.241 1.00 3.63 H new ATOM 0 HB3 SER A 76 4.111 0.078 -9.991 1.00 3.63 H new ATOM 0 HG SER A 76 6.422 -0.436 -8.367 1.00 4.36 H new TER 1166 SER A 76