USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 686 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 31 TYR OH : rot 117:sc= 0.12 USER MOD Set 1.2: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 69:sc= 0.811 USER MOD Single : A -1 SER OG : rot 72:sc= 0.598 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 17 SER OG : rot -10:sc= 1.19 USER MOD Single : A 18 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.38) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 141:sc= 0.0916 (180deg=-0.994) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.0756 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.00111 USER MOD Single : A 44 SER OG : rot -36:sc= 0.199 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -150:sc= -1.21 USER MOD Single : A 74 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 75 LYS NZ :NH3+ -127:sc= -0.296 (180deg=-0.998) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -16.737 -0.306 -1.144 1.00 1.31 N ATOM 2 CA GLY A -2 -16.213 0.899 -1.837 1.00 43.14 C ATOM 3 C GLY A -2 -16.263 2.135 -0.956 1.00 61.13 C ATOM 4 O GLY A -2 -17.316 2.759 -0.815 1.00 72.03 O ATOM 0 H1 GLY A -2 -16.683 -1.125 -1.783 1.00 1.31 H new ATOM 0 H2 GLY A -2 -16.168 -0.493 -0.294 1.00 1.31 H new ATOM 0 H3 GLY A -2 -17.727 -0.145 -0.869 1.00 1.31 H new ATOM 0 HA2 GLY A -2 -15.184 0.718 -2.148 1.00 43.14 H new ATOM 0 HA3 GLY A -2 -16.793 1.077 -2.742 1.00 43.14 H new ATOM 10 N SER A -1 -15.125 2.465 -0.352 1.00 33.14 N ATOM 11 CA SER A -1 -14.998 3.621 0.528 1.00 45.43 C ATOM 12 C SER A -1 -13.605 4.226 0.380 1.00 5.30 C ATOM 13 O SER A -1 -12.720 3.556 -0.128 1.00 52.32 O ATOM 14 CB SER A -1 -15.261 3.191 1.978 1.00 20.05 C ATOM 15 OG SER A -1 -14.590 1.975 2.291 1.00 64.24 O ATOM 0 H SER A -1 -14.261 1.935 -0.460 1.00 33.14 H new ATOM 0 HA SER A -1 -15.732 4.379 0.254 1.00 45.43 H new ATOM 0 HB2 SER A -1 -14.929 3.976 2.657 1.00 20.05 H new ATOM 0 HB3 SER A -1 -16.333 3.067 2.133 1.00 20.05 H new ATOM 0 HG SER A -1 -13.626 2.140 2.351 1.00 64.24 H new ATOM 21 N HIS A 0 -13.431 5.499 0.765 1.00 65.33 N ATOM 22 CA HIS A 0 -12.115 6.171 0.717 1.00 15.32 C ATOM 23 C HIS A 0 -11.982 7.149 1.889 1.00 75.11 C ATOM 24 O HIS A 0 -12.808 8.056 2.034 1.00 14.03 O ATOM 25 CB HIS A 0 -11.899 6.938 -0.615 1.00 61.44 C ATOM 26 CG HIS A 0 -11.755 6.069 -1.837 1.00 52.14 C ATOM 27 ND1 HIS A 0 -12.710 5.995 -2.821 1.00 0.34 N ATOM 28 CD2 HIS A 0 -10.773 5.211 -2.204 1.00 12.31 C ATOM 29 CE1 HIS A 0 -12.324 5.127 -3.740 1.00 42.11 C ATOM 30 NE2 HIS A 0 -11.151 4.629 -3.390 1.00 51.12 N ATOM 0 H HIS A 0 -14.186 6.089 1.115 1.00 65.33 H new ATOM 0 HA HIS A 0 -11.354 5.394 0.787 1.00 15.32 H new ATOM 0 HB2 HIS A 0 -12.740 7.615 -0.767 1.00 61.44 H new ATOM 0 HB3 HIS A 0 -11.006 7.555 -0.520 1.00 61.44 H new ATOM 0 HD2 HIS A 0 -9.859 5.019 -1.662 1.00 12.31 H new ATOM 0 HE1 HIS A 0 -12.877 4.867 -4.631 1.00 42.11 H new ATOM 0 HE2 HIS A 0 -10.618 3.932 -3.911 1.00 51.12 H new ATOM 39 N MET A 1 -10.958 6.956 2.733 1.00 73.12 N ATOM 40 CA MET A 1 -10.717 7.835 3.893 1.00 41.12 C ATOM 41 C MET A 1 -9.233 8.192 4.027 1.00 32.11 C ATOM 42 O MET A 1 -8.395 7.673 3.287 1.00 41.43 O ATOM 43 CB MET A 1 -11.233 7.193 5.193 1.00 45.44 C ATOM 44 CG MET A 1 -12.730 7.352 5.382 1.00 11.35 C ATOM 45 SD MET A 1 -13.367 6.395 6.766 1.00 41.34 S ATOM 46 CE MET A 1 -15.112 6.784 6.658 1.00 14.42 C ATOM 0 H MET A 1 -10.281 6.199 2.636 1.00 73.12 H new ATOM 0 HA MET A 1 -11.272 8.757 3.721 1.00 41.12 H new ATOM 0 HB2 MET A 1 -10.984 6.132 5.191 1.00 45.44 H new ATOM 0 HB3 MET A 1 -10.716 7.640 6.042 1.00 45.44 H new ATOM 0 HG2 MET A 1 -12.961 8.406 5.538 1.00 11.35 H new ATOM 0 HG3 MET A 1 -13.241 7.045 4.469 1.00 11.35 H new ATOM 0 HE1 MET A 1 -15.650 6.266 7.452 1.00 14.42 H new ATOM 0 HE2 MET A 1 -15.252 7.859 6.767 1.00 14.42 H new ATOM 0 HE3 MET A 1 -15.497 6.464 5.690 1.00 14.42 H new ATOM 56 N VAL A 2 -8.922 9.094 4.967 1.00 3.53 N ATOM 57 CA VAL A 2 -7.546 9.575 5.164 1.00 4.40 C ATOM 58 C VAL A 2 -6.839 8.826 6.305 1.00 25.32 C ATOM 59 O VAL A 2 -7.462 8.459 7.305 1.00 24.11 O ATOM 60 CB VAL A 2 -7.471 11.114 5.416 1.00 23.34 C ATOM 61 CG1 VAL A 2 -7.894 11.887 4.172 1.00 3.42 C ATOM 62 CG2 VAL A 2 -8.318 11.540 6.617 1.00 3.04 C ATOM 0 H VAL A 2 -9.604 9.506 5.604 1.00 3.53 H new ATOM 0 HA VAL A 2 -7.027 9.367 4.229 1.00 4.40 H new ATOM 0 HB VAL A 2 -6.432 11.351 5.644 1.00 23.34 H new ATOM 0 HG11 VAL A 2 -7.834 12.957 4.371 1.00 3.42 H new ATOM 0 HG12 VAL A 2 -7.232 11.634 3.344 1.00 3.42 H new ATOM 0 HG13 VAL A 2 -8.919 11.623 3.911 1.00 3.42 H new ATOM 0 HG21 VAL A 2 -8.236 12.618 6.756 1.00 3.04 H new ATOM 0 HG22 VAL A 2 -9.360 11.275 6.440 1.00 3.04 H new ATOM 0 HG23 VAL A 2 -7.962 11.031 7.513 1.00 3.04 H new ATOM 72 N ILE A 3 -5.536 8.584 6.123 1.00 63.33 N ATOM 73 CA ILE A 3 -4.714 7.875 7.116 1.00 44.11 C ATOM 74 C ILE A 3 -3.446 8.718 7.445 1.00 51.53 C ATOM 75 O ILE A 3 -2.806 9.247 6.530 1.00 33.22 O ATOM 76 CB ILE A 3 -4.315 6.426 6.608 1.00 71.35 C ATOM 77 CG1 ILE A 3 -3.497 6.493 5.294 1.00 65.51 C ATOM 78 CG2 ILE A 3 -5.566 5.530 6.417 1.00 0.54 C ATOM 79 CD1 ILE A 3 -2.869 5.174 4.883 1.00 54.14 C ATOM 0 H ILE A 3 -5.022 8.871 5.290 1.00 63.33 H new ATOM 0 HA ILE A 3 -5.302 7.748 8.025 1.00 44.11 H new ATOM 0 HB ILE A 3 -3.688 5.978 7.378 1.00 71.35 H new ATOM 0 HG12 ILE A 3 -4.148 6.838 4.491 1.00 65.51 H new ATOM 0 HG13 ILE A 3 -2.709 7.238 5.407 1.00 65.51 H new ATOM 0 HG21 ILE A 3 -5.258 4.544 6.068 1.00 0.54 H new ATOM 0 HG22 ILE A 3 -6.091 5.431 7.367 1.00 0.54 H new ATOM 0 HG23 ILE A 3 -6.230 5.984 5.681 1.00 0.54 H new ATOM 0 HD11 ILE A 3 -2.315 5.309 3.954 1.00 54.14 H new ATOM 0 HD12 ILE A 3 -2.189 4.835 5.665 1.00 54.14 H new ATOM 0 HD13 ILE A 3 -3.651 4.429 4.734 1.00 54.14 H new ATOM 91 N ARG A 4 -3.106 8.906 8.741 1.00 2.41 N ATOM 92 CA ARG A 4 -1.870 9.554 9.115 1.00 52.42 C ATOM 93 C ARG A 4 -1.200 8.723 10.210 1.00 73.20 C ATOM 94 O ARG A 4 -1.876 8.416 11.201 1.00 54.15 O ATOM 95 CB ARG A 4 -2.132 10.969 9.643 1.00 50.34 C ATOM 96 CG ARG A 4 -2.135 12.043 8.562 1.00 5.34 C ATOM 97 CD ARG A 4 -2.513 13.409 9.122 1.00 70.11 C ATOM 98 NE ARG A 4 -2.235 14.509 8.185 1.00 70.42 N ATOM 99 CZ ARG A 4 -3.103 14.992 7.276 1.00 2.23 C ATOM 100 NH1 ARG A 4 -4.331 14.492 7.167 1.00 44.21 N ATOM 101 NH2 ARG A 4 -2.738 15.994 6.486 1.00 11.23 N ATOM 0 H ARG A 4 -3.683 8.612 9.529 1.00 2.41 H new ATOM 0 HA ARG A 4 -1.227 9.629 8.238 1.00 52.42 H new ATOM 0 HB2 ARG A 4 -3.093 10.982 10.156 1.00 50.34 H new ATOM 0 HB3 ARG A 4 -1.372 11.216 10.384 1.00 50.34 H new ATOM 0 HG2 ARG A 4 -1.148 12.099 8.103 1.00 5.34 H new ATOM 0 HG3 ARG A 4 -2.837 11.765 7.776 1.00 5.34 H new ATOM 0 HD2 ARG A 4 -3.574 13.412 9.374 1.00 70.11 H new ATOM 0 HD3 ARG A 4 -1.965 13.580 10.049 1.00 70.11 H new ATOM 0 HE ARG A 4 -1.311 14.940 8.227 1.00 70.42 H new ATOM 0 HH11 ARG A 4 -4.628 13.731 7.778 1.00 44.21 H new ATOM 0 HH12 ARG A 4 -4.976 14.870 6.473 1.00 44.21 H new ATOM 0 HH21 ARG A 4 -1.804 16.395 6.569 1.00 11.23 H new ATOM 0 HH22 ARG A 4 -3.392 16.363 5.796 1.00 11.23 H new ATOM 115 N GLU A 5 0.074 8.284 9.985 1.00 21.50 N ATOM 116 CA GLU A 5 0.927 7.646 11.026 1.00 13.12 C ATOM 117 C GLU A 5 0.475 6.179 11.265 1.00 63.45 C ATOM 118 O GLU A 5 -0.158 5.875 12.280 1.00 31.33 O ATOM 119 CB GLU A 5 0.923 8.429 12.384 1.00 31.14 C ATOM 120 CG GLU A 5 1.656 9.814 12.447 1.00 0.41 C ATOM 121 CD GLU A 5 1.707 10.376 13.858 1.00 15.44 C ATOM 122 OE1 GLU A 5 0.640 10.790 14.363 1.00 44.35 O ATOM 123 OE2 GLU A 5 2.812 10.442 14.444 1.00 52.33 O ATOM 0 H GLU A 5 0.534 8.364 9.078 1.00 21.50 H new ATOM 0 HA GLU A 5 1.949 7.665 10.647 1.00 13.12 H new ATOM 0 HB2 GLU A 5 -0.116 8.590 12.672 1.00 31.14 H new ATOM 0 HB3 GLU A 5 1.367 7.783 13.141 1.00 31.14 H new ATOM 0 HG2 GLU A 5 2.671 9.703 12.066 1.00 0.41 H new ATOM 0 HG3 GLU A 5 1.146 10.523 11.794 1.00 0.41 H new ATOM 130 N SER A 6 0.759 5.270 10.315 1.00 44.52 N ATOM 131 CA SER A 6 0.301 3.887 10.447 1.00 52.43 C ATOM 132 C SER A 6 1.391 2.913 9.948 1.00 73.11 C ATOM 133 O SER A 6 2.346 3.331 9.288 1.00 23.31 O ATOM 134 CB SER A 6 -1.022 3.682 9.673 1.00 4.12 C ATOM 135 OG SER A 6 -1.662 2.466 10.037 1.00 41.11 O ATOM 0 H SER A 6 1.292 5.467 9.468 1.00 44.52 H new ATOM 0 HA SER A 6 0.113 3.677 11.500 1.00 52.43 H new ATOM 0 HB2 SER A 6 -1.692 4.519 9.870 1.00 4.12 H new ATOM 0 HB3 SER A 6 -0.820 3.680 8.602 1.00 4.12 H new ATOM 0 HG SER A 6 -2.495 2.370 9.530 1.00 41.11 H new ATOM 141 N VAL A 7 1.235 1.618 10.264 1.00 73.35 N ATOM 142 CA VAL A 7 2.167 0.573 9.815 1.00 31.11 C ATOM 143 C VAL A 7 1.430 -0.446 8.955 1.00 61.22 C ATOM 144 O VAL A 7 0.593 -1.209 9.448 1.00 3.11 O ATOM 145 CB VAL A 7 2.909 -0.198 10.969 1.00 63.23 C ATOM 146 CG1 VAL A 7 4.384 0.160 10.974 1.00 13.04 C ATOM 147 CG2 VAL A 7 2.313 0.005 12.381 1.00 3.11 C ATOM 0 H VAL A 7 0.465 1.268 10.834 1.00 73.35 H new ATOM 0 HA VAL A 7 2.934 1.105 9.252 1.00 31.11 H new ATOM 0 HB VAL A 7 2.767 -1.255 10.743 1.00 63.23 H new ATOM 0 HG11 VAL A 7 4.887 -0.380 11.777 1.00 13.04 H new ATOM 0 HG12 VAL A 7 4.829 -0.116 10.018 1.00 13.04 H new ATOM 0 HG13 VAL A 7 4.498 1.233 11.131 1.00 13.04 H new ATOM 0 HG21 VAL A 7 2.893 -0.566 13.106 1.00 3.11 H new ATOM 0 HG22 VAL A 7 2.347 1.063 12.642 1.00 3.11 H new ATOM 0 HG23 VAL A 7 1.279 -0.339 12.392 1.00 3.11 H new ATOM 157 N SER A 8 1.753 -0.443 7.667 1.00 72.32 N ATOM 158 CA SER A 8 1.129 -1.357 6.714 1.00 3.23 C ATOM 159 C SER A 8 1.857 -2.720 6.749 1.00 63.53 C ATOM 160 O SER A 8 3.066 -2.781 6.588 1.00 44.54 O ATOM 161 CB SER A 8 1.100 -0.692 5.301 1.00 31.04 C ATOM 162 OG SER A 8 1.720 -1.481 4.298 1.00 30.40 O ATOM 0 H SER A 8 2.445 0.184 7.256 1.00 72.32 H new ATOM 0 HA SER A 8 0.092 -1.557 6.984 1.00 3.23 H new ATOM 0 HB2 SER A 8 0.065 -0.503 5.017 1.00 31.04 H new ATOM 0 HB3 SER A 8 1.598 0.276 5.352 1.00 31.04 H new ATOM 0 HG SER A 8 1.177 -2.279 4.127 1.00 30.40 H new ATOM 168 N ARG A 9 1.104 -3.801 6.990 1.00 63.42 N ATOM 169 CA ARG A 9 1.714 -5.163 7.109 1.00 41.44 C ATOM 170 C ARG A 9 0.842 -6.264 6.438 1.00 4.34 C ATOM 171 O ARG A 9 -0.342 -6.059 6.285 1.00 33.52 O ATOM 172 CB ARG A 9 2.012 -5.511 8.594 1.00 1.45 C ATOM 173 CG ARG A 9 0.969 -4.977 9.568 1.00 1.14 C ATOM 174 CD ARG A 9 1.398 -5.127 11.019 1.00 44.45 C ATOM 175 NE ARG A 9 0.841 -4.058 11.853 1.00 10.45 N ATOM 176 CZ ARG A 9 1.186 -3.818 13.128 1.00 52.25 C ATOM 177 NH1 ARG A 9 2.084 -4.579 13.753 1.00 24.43 N ATOM 178 NH2 ARG A 9 0.641 -2.794 13.782 1.00 4.03 N ATOM 0 H ARG A 9 0.091 -3.778 7.107 1.00 63.42 H new ATOM 0 HA ARG A 9 2.659 -5.137 6.567 1.00 41.44 H new ATOM 0 HB2 ARG A 9 2.074 -6.594 8.699 1.00 1.45 H new ATOM 0 HB3 ARG A 9 2.988 -5.108 8.864 1.00 1.45 H new ATOM 0 HG2 ARG A 9 0.782 -3.925 9.355 1.00 1.14 H new ATOM 0 HG3 ARG A 9 0.028 -5.505 9.414 1.00 1.14 H new ATOM 0 HD2 ARG A 9 1.071 -6.095 11.399 1.00 44.45 H new ATOM 0 HD3 ARG A 9 2.486 -5.111 11.082 1.00 44.45 H new ATOM 0 HE ARG A 9 0.138 -3.450 11.433 1.00 10.45 H new ATOM 0 HH11 ARG A 9 2.522 -5.359 13.262 1.00 24.43 H new ATOM 0 HH12 ARG A 9 2.334 -4.382 14.722 1.00 24.43 H new ATOM 0 HH21 ARG A 9 -0.038 -2.193 13.314 1.00 4.03 H new ATOM 0 HH22 ARG A 9 0.902 -2.610 14.751 1.00 4.03 H new ATOM 192 N ILE A 10 1.425 -7.438 6.045 1.00 52.12 N ATOM 193 CA ILE A 10 0.666 -8.511 5.360 1.00 1.24 C ATOM 194 C ILE A 10 0.691 -9.768 6.223 1.00 74.54 C ATOM 195 O ILE A 10 1.771 -10.133 6.736 1.00 14.41 O ATOM 196 CB ILE A 10 1.247 -8.868 3.923 1.00 15.22 C ATOM 197 CG1 ILE A 10 1.181 -7.622 2.974 1.00 60.40 C ATOM 198 CG2 ILE A 10 0.543 -10.102 3.302 1.00 23.14 C ATOM 199 CD1 ILE A 10 0.962 -7.839 1.464 1.00 15.12 C ATOM 0 H ILE A 10 2.410 -7.656 6.193 1.00 52.12 H new ATOM 0 HA ILE A 10 -0.350 -8.142 5.218 1.00 1.24 H new ATOM 0 HB ILE A 10 2.295 -9.140 4.048 1.00 15.22 H new ATOM 0 HG12 ILE A 10 0.378 -6.978 3.333 1.00 60.40 H new ATOM 0 HG13 ILE A 10 2.112 -7.068 3.094 1.00 60.40 H new ATOM 0 HG21 ILE A 10 0.971 -10.310 2.321 1.00 23.14 H new ATOM 0 HG22 ILE A 10 0.685 -10.966 3.951 1.00 23.14 H new ATOM 0 HG23 ILE A 10 -0.523 -9.898 3.197 1.00 23.14 H new ATOM 0 HD11 ILE A 10 0.942 -6.874 0.957 1.00 15.12 H new ATOM 0 HD12 ILE A 10 1.775 -8.444 1.062 1.00 15.12 H new ATOM 0 HD13 ILE A 10 0.014 -8.353 1.304 1.00 15.12 H new ATOM 211 N TYR A 11 -0.503 -10.414 6.357 1.00 52.31 N ATOM 212 CA TYR A 11 -0.680 -11.610 7.203 1.00 44.50 C ATOM 213 C TYR A 11 -0.813 -12.895 6.314 1.00 33.53 C ATOM 214 O TYR A 11 -1.763 -12.979 5.512 1.00 21.13 O ATOM 215 CB TYR A 11 -1.952 -11.404 8.062 1.00 0.31 C ATOM 216 CG TYR A 11 -2.127 -12.377 9.213 1.00 30.23 C ATOM 217 CD1 TYR A 11 -1.582 -12.101 10.460 1.00 4.40 C ATOM 218 CD2 TYR A 11 -2.859 -13.551 9.061 1.00 63.13 C ATOM 219 CE1 TYR A 11 -1.755 -12.967 11.523 1.00 31.42 C ATOM 220 CE2 TYR A 11 -3.040 -14.417 10.121 1.00 63.54 C ATOM 221 CZ TYR A 11 -2.484 -14.123 11.347 1.00 60.25 C ATOM 222 OH TYR A 11 -2.663 -14.982 12.403 1.00 24.53 O ATOM 0 H TYR A 11 -1.356 -10.116 5.883 1.00 52.31 H new ATOM 0 HA TYR A 11 0.187 -11.747 7.849 1.00 44.50 H new ATOM 0 HB2 TYR A 11 -1.938 -10.391 8.464 1.00 0.31 H new ATOM 0 HB3 TYR A 11 -2.824 -11.476 7.412 1.00 0.31 H new ATOM 0 HD1 TYR A 11 -1.013 -11.194 10.602 1.00 4.40 H new ATOM 0 HD2 TYR A 11 -3.292 -13.788 8.100 1.00 63.13 H new ATOM 0 HE1 TYR A 11 -1.322 -12.739 12.486 1.00 31.42 H new ATOM 0 HE2 TYR A 11 -3.615 -15.322 9.990 1.00 63.54 H new ATOM 0 HH TYR A 11 -3.201 -15.749 12.114 1.00 24.53 H new ATOM 232 N VAL A 12 0.105 -13.911 6.418 1.00 43.35 N ATOM 233 CA VAL A 12 0.016 -15.094 5.534 1.00 4.32 C ATOM 234 C VAL A 12 -0.053 -16.368 6.395 1.00 22.02 C ATOM 235 O VAL A 12 0.951 -16.755 6.980 1.00 5.44 O ATOM 236 CB VAL A 12 1.265 -15.177 4.521 1.00 4.33 C ATOM 237 CG1 VAL A 12 1.201 -16.339 3.522 1.00 71.32 C ATOM 238 CG2 VAL A 12 1.477 -13.867 3.769 1.00 24.05 C ATOM 0 H VAL A 12 0.880 -13.926 7.081 1.00 43.35 H new ATOM 0 HA VAL A 12 -0.888 -15.003 4.931 1.00 4.32 H new ATOM 0 HB VAL A 12 2.119 -15.369 5.170 1.00 4.33 H new ATOM 0 HG11 VAL A 12 2.082 -16.316 2.881 1.00 71.32 H new ATOM 0 HG12 VAL A 12 1.171 -17.284 4.064 1.00 71.32 H new ATOM 0 HG13 VAL A 12 0.304 -16.244 2.910 1.00 71.32 H new ATOM 0 HG21 VAL A 12 2.329 -13.967 3.097 1.00 24.05 H new ATOM 0 HG22 VAL A 12 0.584 -13.631 3.190 1.00 24.05 H new ATOM 0 HG23 VAL A 12 1.669 -13.065 4.482 1.00 24.05 H new ATOM 248 N GLY A 13 -1.220 -17.030 6.480 1.00 14.24 N ATOM 249 CA GLY A 13 -1.290 -18.236 7.310 1.00 21.54 C ATOM 250 C GLY A 13 -1.683 -19.470 6.522 1.00 50.35 C ATOM 251 O GLY A 13 -2.191 -19.339 5.406 1.00 74.32 O ATOM 0 H GLY A 13 -2.085 -16.765 6.009 1.00 14.24 H new ATOM 0 HA2 GLY A 13 -0.321 -18.404 7.781 1.00 21.54 H new ATOM 0 HA3 GLY A 13 -2.011 -18.078 8.112 1.00 21.54 H new ATOM 255 N ASN A 14 -1.453 -20.682 7.108 1.00 11.20 N ATOM 256 CA ASN A 14 -1.834 -21.994 6.491 1.00 61.30 C ATOM 257 C ASN A 14 -1.358 -22.186 5.002 1.00 43.42 C ATOM 258 O ASN A 14 -1.953 -22.960 4.250 1.00 22.15 O ATOM 259 CB ASN A 14 -3.361 -22.184 6.589 1.00 73.32 C ATOM 260 CG ASN A 14 -3.947 -21.857 7.961 1.00 72.22 C ATOM 261 OD1 ASN A 14 -4.438 -20.750 8.193 1.00 51.22 O ATOM 262 ND2 ASN A 14 -3.897 -22.809 8.882 1.00 53.33 N ATOM 0 H ASN A 14 -1.001 -20.779 8.017 1.00 11.20 H new ATOM 0 HA ASN A 14 -1.307 -22.759 7.062 1.00 61.30 H new ATOM 0 HB2 ASN A 14 -3.843 -21.554 5.841 1.00 73.32 H new ATOM 0 HB3 ASN A 14 -3.604 -23.217 6.340 1.00 73.32 H new ATOM 0 HD21 ASN A 14 -4.272 -22.636 9.815 1.00 53.33 H new ATOM 0 HD22 ASN A 14 -3.484 -23.714 8.658 1.00 53.33 H new ATOM 269 N LEU A 15 -0.258 -21.502 4.629 1.00 53.53 N ATOM 270 CA LEU A 15 0.321 -21.489 3.284 1.00 15.41 C ATOM 271 C LEU A 15 1.060 -22.808 2.976 1.00 74.21 C ATOM 272 O LEU A 15 1.579 -23.451 3.898 1.00 22.52 O ATOM 273 CB LEU A 15 1.299 -20.270 3.169 1.00 60.41 C ATOM 274 CG LEU A 15 2.634 -20.346 3.953 1.00 34.33 C ATOM 275 CD1 LEU A 15 3.750 -19.652 3.164 1.00 52.40 C ATOM 276 CD2 LEU A 15 2.504 -19.690 5.330 1.00 14.15 C ATOM 0 H LEU A 15 0.266 -20.924 5.286 1.00 53.53 H new ATOM 0 HA LEU A 15 -0.481 -21.392 2.552 1.00 15.41 H new ATOM 0 HB2 LEU A 15 1.536 -20.127 2.115 1.00 60.41 H new ATOM 0 HB3 LEU A 15 0.766 -19.379 3.499 1.00 60.41 H new ATOM 0 HG LEU A 15 2.881 -21.399 4.090 1.00 34.33 H new ATOM 0 HD11 LEU A 15 4.683 -19.712 3.724 1.00 52.40 H new ATOM 0 HD12 LEU A 15 3.874 -20.144 2.199 1.00 52.40 H new ATOM 0 HD13 LEU A 15 3.488 -18.606 3.006 1.00 52.40 H new ATOM 0 HD21 LEU A 15 3.456 -19.758 5.857 1.00 14.15 H new ATOM 0 HD22 LEU A 15 2.231 -18.642 5.209 1.00 14.15 H new ATOM 0 HD23 LEU A 15 1.733 -20.202 5.906 1.00 14.15 H new ATOM 288 N PRO A 16 1.111 -23.250 1.684 1.00 62.11 N ATOM 289 CA PRO A 16 1.869 -24.451 1.312 1.00 63.20 C ATOM 290 C PRO A 16 3.383 -24.143 1.183 1.00 32.23 C ATOM 291 O PRO A 16 3.731 -23.198 0.476 1.00 43.11 O ATOM 292 CB PRO A 16 1.262 -24.833 -0.043 1.00 73.24 C ATOM 293 CG PRO A 16 0.773 -23.558 -0.637 1.00 72.01 C ATOM 294 CD PRO A 16 0.425 -22.645 0.510 1.00 24.34 C ATOM 0 HA PRO A 16 1.802 -25.248 2.053 1.00 63.20 H new ATOM 0 HB2 PRO A 16 2.005 -25.305 -0.686 1.00 73.24 H new ATOM 0 HB3 PRO A 16 0.447 -25.546 0.080 1.00 73.24 H new ATOM 0 HG2 PRO A 16 1.538 -23.108 -1.270 1.00 72.01 H new ATOM 0 HG3 PRO A 16 -0.098 -23.735 -1.268 1.00 72.01 H new ATOM 0 HD2 PRO A 16 0.772 -21.628 0.328 1.00 24.34 H new ATOM 0 HD3 PRO A 16 -0.653 -22.592 0.663 1.00 24.34 H new ATOM 302 N SER A 17 4.269 -24.944 1.849 1.00 55.44 N ATOM 303 CA SER A 17 5.733 -24.677 1.965 1.00 61.35 C ATOM 304 C SER A 17 6.030 -23.309 2.608 1.00 22.35 C ATOM 305 O SER A 17 5.920 -22.261 1.955 1.00 5.04 O ATOM 306 CB SER A 17 6.543 -24.869 0.639 1.00 1.34 C ATOM 307 OG SER A 17 6.189 -23.974 -0.404 1.00 73.13 O ATOM 0 H SER A 17 3.982 -25.800 2.324 1.00 55.44 H new ATOM 0 HA SER A 17 6.092 -25.455 2.638 1.00 61.35 H new ATOM 0 HB2 SER A 17 7.604 -24.751 0.857 1.00 1.34 H new ATOM 0 HB3 SER A 17 6.402 -25.891 0.287 1.00 1.34 H new ATOM 0 HG SER A 17 5.380 -23.482 -0.152 1.00 73.13 H new ATOM 313 N HIS A 18 6.410 -23.345 3.905 1.00 14.53 N ATOM 314 CA HIS A 18 6.689 -22.128 4.687 1.00 22.13 C ATOM 315 C HIS A 18 7.782 -21.268 4.033 1.00 51.53 C ATOM 316 O HIS A 18 8.864 -21.760 3.694 1.00 15.44 O ATOM 317 CB HIS A 18 7.047 -22.473 6.160 1.00 44.23 C ATOM 318 CG HIS A 18 8.169 -23.474 6.347 1.00 23.54 C ATOM 319 ND1 HIS A 18 7.959 -24.838 6.378 1.00 4.44 N ATOM 320 CD2 HIS A 18 9.501 -23.301 6.501 1.00 20.44 C ATOM 321 CE1 HIS A 18 9.116 -25.453 6.524 1.00 42.31 C ATOM 322 NE2 HIS A 18 10.071 -24.548 6.601 1.00 65.52 N ATOM 0 H HIS A 18 6.530 -24.211 4.431 1.00 14.53 H new ATOM 0 HA HIS A 18 5.775 -21.534 4.698 1.00 22.13 H new ATOM 0 HB2 HIS A 18 7.318 -21.551 6.674 1.00 44.23 H new ATOM 0 HB3 HIS A 18 6.154 -22.860 6.650 1.00 44.23 H new ATOM 0 HD2 HIS A 18 10.022 -22.356 6.539 1.00 20.44 H new ATOM 0 HE1 HIS A 18 9.258 -26.523 6.573 1.00 42.31 H new ATOM 0 HE2 HIS A 18 11.066 -24.741 6.716 1.00 65.52 H new ATOM 331 N VAL A 19 7.436 -20.006 3.802 1.00 63.13 N ATOM 332 CA VAL A 19 8.327 -19.068 3.123 1.00 31.41 C ATOM 333 C VAL A 19 9.414 -18.584 4.127 1.00 43.44 C ATOM 334 O VAL A 19 9.076 -18.015 5.172 1.00 15.22 O ATOM 335 CB VAL A 19 7.474 -17.894 2.441 1.00 5.11 C ATOM 336 CG1 VAL A 19 6.462 -17.200 3.373 1.00 33.44 C ATOM 337 CG2 VAL A 19 8.311 -16.832 1.748 1.00 14.20 C ATOM 0 H VAL A 19 6.539 -19.606 4.077 1.00 63.13 H new ATOM 0 HA VAL A 19 8.859 -19.549 2.302 1.00 31.41 H new ATOM 0 HB VAL A 19 6.913 -18.443 1.685 1.00 5.11 H new ATOM 0 HG11 VAL A 19 5.934 -16.422 2.822 1.00 33.44 H new ATOM 0 HG12 VAL A 19 5.745 -17.933 3.742 1.00 33.44 H new ATOM 0 HG13 VAL A 19 6.990 -16.753 4.215 1.00 33.44 H new ATOM 0 HG21 VAL A 19 7.655 -16.077 1.315 1.00 14.20 H new ATOM 0 HG22 VAL A 19 8.976 -16.362 2.473 1.00 14.20 H new ATOM 0 HG23 VAL A 19 8.904 -17.294 0.959 1.00 14.20 H new ATOM 347 N SER A 20 10.727 -18.843 3.837 1.00 73.02 N ATOM 348 CA SER A 20 11.812 -18.431 4.733 1.00 41.20 C ATOM 349 C SER A 20 12.093 -16.917 4.508 1.00 35.10 C ATOM 350 O SER A 20 11.694 -16.403 3.455 1.00 25.44 O ATOM 351 CB SER A 20 13.045 -19.315 4.410 1.00 63.32 C ATOM 352 OG SER A 20 12.659 -20.675 4.251 1.00 31.30 O ATOM 0 H SER A 20 11.038 -19.330 2.996 1.00 73.02 H new ATOM 0 HA SER A 20 11.555 -18.564 5.784 1.00 41.20 H new ATOM 0 HB2 SER A 20 13.526 -18.959 3.499 1.00 63.32 H new ATOM 0 HB3 SER A 20 13.779 -19.231 5.211 1.00 63.32 H new ATOM 0 HG SER A 20 13.449 -21.217 4.046 1.00 31.30 H new ATOM 358 N SER A 21 12.702 -16.185 5.500 1.00 41.42 N ATOM 359 CA SER A 21 13.022 -14.746 5.360 1.00 40.24 C ATOM 360 C SER A 21 13.757 -14.338 4.055 1.00 71.14 C ATOM 361 O SER A 21 13.504 -13.250 3.559 1.00 51.15 O ATOM 362 CB SER A 21 13.832 -14.279 6.580 1.00 41.12 C ATOM 363 OG SER A 21 14.961 -15.116 6.824 1.00 20.45 O ATOM 0 H SER A 21 12.975 -16.581 6.399 1.00 41.42 H new ATOM 0 HA SER A 21 12.055 -14.247 5.301 1.00 40.24 H new ATOM 0 HB2 SER A 21 14.168 -13.254 6.421 1.00 41.12 H new ATOM 0 HB3 SER A 21 13.189 -14.271 7.460 1.00 41.12 H new ATOM 0 HG SER A 21 15.451 -14.785 7.606 1.00 20.45 H new ATOM 369 N ARG A 22 14.691 -15.171 3.546 1.00 62.33 N ATOM 370 CA ARG A 22 15.326 -14.920 2.203 1.00 53.01 C ATOM 371 C ARG A 22 14.301 -14.801 1.003 1.00 21.12 C ATOM 372 O ARG A 22 14.466 -13.899 0.149 1.00 2.14 O ATOM 373 CB ARG A 22 16.524 -15.904 1.841 1.00 13.22 C ATOM 374 CG ARG A 22 17.590 -16.143 2.938 1.00 61.03 C ATOM 375 CD ARG A 22 17.185 -17.183 3.989 1.00 53.45 C ATOM 376 NE ARG A 22 17.541 -18.542 3.580 1.00 75.14 N ATOM 377 CZ ARG A 22 17.318 -19.637 4.317 1.00 20.52 C ATOM 378 NH1 ARG A 22 16.728 -19.549 5.510 1.00 1.23 N ATOM 379 NH2 ARG A 22 17.702 -20.824 3.863 1.00 61.25 N ATOM 0 H ARG A 22 15.026 -16.009 4.021 1.00 62.33 H new ATOM 0 HA ARG A 22 15.767 -13.932 2.334 1.00 53.01 H new ATOM 0 HB2 ARG A 22 16.099 -16.869 1.565 1.00 13.22 H new ATOM 0 HB3 ARG A 22 17.028 -15.514 0.957 1.00 13.22 H new ATOM 0 HG2 ARG A 22 18.518 -16.464 2.464 1.00 61.03 H new ATOM 0 HG3 ARG A 22 17.798 -15.198 3.439 1.00 61.03 H new ATOM 0 HD2 ARG A 22 17.672 -16.950 4.936 1.00 53.45 H new ATOM 0 HD3 ARG A 22 16.110 -17.126 4.160 1.00 53.45 H new ATOM 0 HE ARG A 22 17.989 -18.663 2.672 1.00 75.14 H new ATOM 0 HH11 ARG A 22 16.441 -18.639 5.871 1.00 1.23 H new ATOM 0 HH12 ARG A 22 16.564 -20.391 6.061 1.00 1.23 H new ATOM 0 HH21 ARG A 22 18.164 -20.898 2.957 1.00 61.25 H new ATOM 0 HH22 ARG A 22 17.535 -21.662 4.420 1.00 61.25 H new ATOM 393 N ASP A 23 13.237 -15.654 0.956 1.00 15.24 N ATOM 394 CA ASP A 23 12.220 -15.610 -0.127 1.00 75.03 C ATOM 395 C ASP A 23 11.337 -14.357 -0.009 1.00 0.42 C ATOM 396 O ASP A 23 11.107 -13.681 -1.037 1.00 72.13 O ATOM 397 CB ASP A 23 11.315 -16.877 -0.138 1.00 1.12 C ATOM 398 CG ASP A 23 12.110 -18.167 -0.111 1.00 74.45 C ATOM 399 OD1 ASP A 23 12.507 -18.640 -1.192 1.00 32.04 O ATOM 400 OD2 ASP A 23 12.340 -18.706 0.999 1.00 4.25 O ATOM 0 H ASP A 23 13.065 -16.377 1.655 1.00 15.24 H new ATOM 0 HA ASP A 23 12.774 -15.577 -1.065 1.00 75.03 H new ATOM 0 HB2 ASP A 23 10.648 -16.849 0.723 1.00 1.12 H new ATOM 0 HB3 ASP A 23 10.687 -16.861 -1.029 1.00 1.12 H new ATOM 405 N VAL A 24 10.843 -14.035 1.230 1.00 32.23 N ATOM 406 CA VAL A 24 10.087 -12.789 1.449 1.00 72.32 C ATOM 407 C VAL A 24 10.927 -11.548 1.153 1.00 72.43 C ATOM 408 O VAL A 24 10.480 -10.686 0.433 1.00 55.33 O ATOM 409 CB VAL A 24 9.367 -12.660 2.839 1.00 21.31 C ATOM 410 CG1 VAL A 24 8.065 -13.419 2.875 1.00 22.41 C ATOM 411 CG2 VAL A 24 10.181 -13.133 4.010 1.00 63.11 C ATOM 0 H VAL A 24 10.959 -14.614 2.062 1.00 32.23 H new ATOM 0 HA VAL A 24 9.277 -12.855 0.722 1.00 72.32 H new ATOM 0 HB VAL A 24 9.204 -11.587 2.936 1.00 21.31 H new ATOM 0 HG11 VAL A 24 7.602 -13.301 3.855 1.00 22.41 H new ATOM 0 HG12 VAL A 24 7.395 -13.029 2.108 1.00 22.41 H new ATOM 0 HG13 VAL A 24 8.255 -14.476 2.688 1.00 22.41 H new ATOM 0 HG21 VAL A 24 9.606 -13.007 4.927 1.00 63.11 H new ATOM 0 HG22 VAL A 24 10.429 -14.186 3.879 1.00 63.11 H new ATOM 0 HG23 VAL A 24 11.099 -12.549 4.074 1.00 63.11 H new ATOM 421 N GLU A 25 12.131 -11.449 1.692 1.00 55.35 N ATOM 422 CA GLU A 25 13.039 -10.380 1.288 1.00 62.20 C ATOM 423 C GLU A 25 13.195 -10.257 -0.261 1.00 5.42 C ATOM 424 O GLU A 25 12.821 -9.208 -0.766 1.00 71.12 O ATOM 425 CB GLU A 25 14.370 -10.512 2.058 1.00 10.45 C ATOM 426 CG GLU A 25 14.823 -9.231 2.747 1.00 74.21 C ATOM 427 CD GLU A 25 16.137 -9.415 3.464 1.00 53.32 C ATOM 428 OE1 GLU A 25 16.135 -10.030 4.551 1.00 14.31 O ATOM 429 OE2 GLU A 25 17.170 -8.942 2.944 1.00 43.44 O ATOM 0 H GLU A 25 12.501 -12.083 2.400 1.00 55.35 H new ATOM 0 HA GLU A 25 12.599 -9.423 1.568 1.00 62.20 H new ATOM 0 HB2 GLU A 25 14.267 -11.297 2.807 1.00 10.45 H new ATOM 0 HB3 GLU A 25 15.148 -10.833 1.365 1.00 10.45 H new ATOM 0 HG2 GLU A 25 14.921 -8.436 2.008 1.00 74.21 H new ATOM 0 HG3 GLU A 25 14.062 -8.913 3.459 1.00 74.21 H new ATOM 436 N ASN A 26 13.548 -11.312 -1.059 1.00 51.35 N ATOM 437 CA ASN A 26 13.704 -11.073 -2.544 1.00 42.25 C ATOM 438 C ASN A 26 12.336 -10.869 -3.319 1.00 21.34 C ATOM 439 O ASN A 26 12.016 -9.703 -3.802 1.00 52.14 O ATOM 440 CB ASN A 26 14.512 -12.217 -3.255 1.00 4.00 C ATOM 441 CG ASN A 26 14.752 -11.943 -4.733 1.00 50.44 C ATOM 442 OD1 ASN A 26 15.071 -10.821 -5.144 1.00 21.54 O ATOM 443 ND2 ASN A 26 14.566 -12.972 -5.546 1.00 45.34 N ATOM 0 H ASN A 26 13.720 -12.266 -0.740 1.00 51.35 H new ATOM 0 HA ASN A 26 14.261 -10.138 -2.594 1.00 42.25 H new ATOM 0 HB2 ASN A 26 15.472 -12.343 -2.754 1.00 4.00 H new ATOM 0 HB3 ASN A 26 13.971 -13.157 -3.148 1.00 4.00 H new ATOM 0 HD21 ASN A 26 14.686 -12.855 -6.552 1.00 45.34 H new ATOM 0 HD22 ASN A 26 14.303 -13.881 -5.166 1.00 45.34 H new ATOM 450 N GLU A 27 11.452 -11.909 -3.340 1.00 4.12 N ATOM 451 CA GLU A 27 10.251 -11.796 -4.146 1.00 20.31 C ATOM 452 C GLU A 27 9.256 -10.824 -3.519 1.00 1.24 C ATOM 453 O GLU A 27 8.552 -10.148 -4.262 1.00 74.21 O ATOM 454 CB GLU A 27 9.597 -13.175 -4.399 1.00 43.11 C ATOM 455 CG GLU A 27 8.758 -13.279 -5.692 1.00 42.24 C ATOM 456 CD GLU A 27 9.545 -12.853 -6.922 1.00 32.13 C ATOM 457 OE1 GLU A 27 10.282 -13.701 -7.475 1.00 11.22 O ATOM 458 OE2 GLU A 27 9.431 -11.679 -7.338 1.00 41.50 O ATOM 0 H GLU A 27 11.559 -12.784 -2.827 1.00 4.12 H new ATOM 0 HA GLU A 27 10.549 -11.395 -5.115 1.00 20.31 H new ATOM 0 HB2 GLU A 27 10.382 -13.931 -4.433 1.00 43.11 H new ATOM 0 HB3 GLU A 27 8.958 -13.417 -3.550 1.00 43.11 H new ATOM 0 HG2 GLU A 27 8.415 -14.306 -5.819 1.00 42.24 H new ATOM 0 HG3 GLU A 27 7.869 -12.656 -5.598 1.00 42.24 H new ATOM 465 N PHE A 28 9.214 -10.688 -2.174 1.00 61.01 N ATOM 466 CA PHE A 28 8.245 -9.783 -1.576 1.00 35.11 C ATOM 467 C PHE A 28 8.791 -8.323 -1.517 1.00 71.54 C ATOM 468 O PHE A 28 7.974 -7.404 -1.388 1.00 22.23 O ATOM 469 CB PHE A 28 7.757 -10.215 -0.170 1.00 32.15 C ATOM 470 CG PHE A 28 6.654 -11.249 -0.041 1.00 72.34 C ATOM 471 CD1 PHE A 28 6.795 -12.599 -0.378 1.00 34.52 C ATOM 472 CD2 PHE A 28 5.466 -10.849 0.530 1.00 54.41 C ATOM 473 CE1 PHE A 28 5.772 -13.486 -0.164 1.00 2.34 C ATOM 474 CE2 PHE A 28 4.435 -11.748 0.758 1.00 52.14 C ATOM 475 CZ PHE A 28 4.598 -13.064 0.403 1.00 5.22 C ATOM 0 H PHE A 28 9.820 -11.178 -1.516 1.00 61.01 H new ATOM 0 HA PHE A 28 7.378 -9.826 -2.236 1.00 35.11 H new ATOM 0 HB2 PHE A 28 8.623 -10.593 0.373 1.00 32.15 H new ATOM 0 HB3 PHE A 28 7.423 -9.316 0.349 1.00 32.15 H new ATOM 0 HD1 PHE A 28 7.721 -12.947 -0.812 1.00 34.52 H new ATOM 0 HD2 PHE A 28 5.335 -9.813 0.806 1.00 54.41 H new ATOM 0 HE1 PHE A 28 5.892 -14.522 -0.444 1.00 2.34 H new ATOM 0 HE2 PHE A 28 3.512 -11.416 1.211 1.00 52.14 H new ATOM 0 HZ PHE A 28 3.798 -13.770 0.571 1.00 5.22 H new ATOM 485 N ARG A 29 10.170 -8.076 -1.534 1.00 53.44 N ATOM 486 CA ARG A 29 10.648 -6.686 -1.813 1.00 15.12 C ATOM 487 C ARG A 29 10.207 -6.185 -3.188 1.00 60.54 C ATOM 488 O ARG A 29 10.180 -4.960 -3.378 1.00 63.42 O ATOM 489 CB ARG A 29 12.181 -6.364 -1.555 1.00 33.11 C ATOM 490 CG ARG A 29 13.284 -6.726 -2.604 1.00 71.25 C ATOM 491 CD ARG A 29 13.301 -5.842 -3.869 1.00 25.23 C ATOM 492 NE ARG A 29 14.558 -5.956 -4.616 1.00 51.02 N ATOM 493 CZ ARG A 29 14.788 -5.369 -5.803 1.00 62.20 C ATOM 494 NH1 ARG A 29 13.841 -4.632 -6.389 1.00 35.13 N ATOM 495 NH2 ARG A 29 15.983 -5.498 -6.386 1.00 61.22 N ATOM 0 H ARG A 29 10.898 -8.771 -1.370 1.00 53.44 H new ATOM 0 HA ARG A 29 10.140 -6.121 -1.032 1.00 15.12 H new ATOM 0 HB2 ARG A 29 12.253 -5.291 -1.378 1.00 33.11 H new ATOM 0 HB3 ARG A 29 12.456 -6.860 -0.624 1.00 33.11 H new ATOM 0 HG2 ARG A 29 14.259 -6.660 -2.121 1.00 71.25 H new ATOM 0 HG3 ARG A 29 13.148 -7.764 -2.907 1.00 71.25 H new ATOM 0 HD2 ARG A 29 12.470 -6.123 -4.516 1.00 25.23 H new ATOM 0 HD3 ARG A 29 13.145 -4.802 -3.584 1.00 25.23 H new ATOM 0 HE ARG A 29 15.306 -6.517 -4.208 1.00 51.02 H new ATOM 0 HH11 ARG A 29 12.935 -4.511 -5.936 1.00 35.13 H new ATOM 0 HH12 ARG A 29 14.023 -4.190 -7.290 1.00 35.13 H new ATOM 0 HH21 ARG A 29 16.717 -6.040 -5.930 1.00 61.22 H new ATOM 0 HH22 ARG A 29 16.162 -5.054 -7.287 1.00 61.22 H new ATOM 509 N LYS A 30 9.923 -7.083 -4.176 1.00 71.52 N ATOM 510 CA LYS A 30 9.156 -6.572 -5.370 1.00 32.24 C ATOM 511 C LYS A 30 7.815 -5.841 -5.004 1.00 70.15 C ATOM 512 O LYS A 30 7.524 -4.830 -5.645 1.00 51.41 O ATOM 513 CB LYS A 30 9.029 -7.655 -6.556 1.00 52.31 C ATOM 514 CG LYS A 30 7.682 -7.858 -7.360 1.00 33.44 C ATOM 515 CD LYS A 30 7.128 -6.609 -8.073 1.00 3.31 C ATOM 516 CE LYS A 30 5.602 -6.501 -7.933 1.00 1.25 C ATOM 517 NZ LYS A 30 4.868 -7.328 -8.918 1.00 32.04 N ATOM 0 H LYS A 30 10.179 -8.070 -4.187 1.00 71.52 H new ATOM 0 HA LYS A 30 9.773 -5.778 -5.790 1.00 32.24 H new ATOM 0 HB2 LYS A 30 9.799 -7.412 -7.288 1.00 52.31 H new ATOM 0 HB3 LYS A 30 9.289 -8.623 -6.128 1.00 52.31 H new ATOM 0 HG2 LYS A 30 7.840 -8.637 -8.105 1.00 33.44 H new ATOM 0 HG3 LYS A 30 6.922 -8.226 -6.671 1.00 33.44 H new ATOM 0 HD2 LYS A 30 7.595 -5.716 -7.657 1.00 3.31 H new ATOM 0 HD3 LYS A 30 7.394 -6.646 -9.129 1.00 3.31 H new ATOM 0 HE2 LYS A 30 5.313 -6.804 -6.926 1.00 1.25 H new ATOM 0 HE3 LYS A 30 5.305 -5.459 -8.050 1.00 1.25 H new ATOM 0 HZ1 LYS A 30 3.844 -7.213 -8.774 1.00 32.04 H new ATOM 0 HZ2 LYS A 30 5.118 -7.025 -9.881 1.00 32.04 H new ATOM 0 HZ3 LYS A 30 5.125 -8.328 -8.792 1.00 32.04 H new ATOM 531 N TYR A 31 7.096 -6.186 -3.912 1.00 31.52 N ATOM 532 CA TYR A 31 5.668 -5.852 -3.876 1.00 4.41 C ATOM 533 C TYR A 31 5.415 -4.420 -3.360 1.00 5.54 C ATOM 534 O TYR A 31 4.732 -3.681 -4.039 1.00 73.04 O ATOM 535 CB TYR A 31 4.900 -6.786 -2.932 1.00 32.22 C ATOM 536 CG TYR A 31 4.864 -8.308 -3.128 1.00 43.22 C ATOM 537 CD1 TYR A 31 5.612 -9.046 -4.064 1.00 63.20 C ATOM 538 CD2 TYR A 31 4.024 -9.019 -2.285 1.00 35.43 C ATOM 539 CE1 TYR A 31 5.505 -10.414 -4.123 1.00 33.32 C ATOM 540 CE2 TYR A 31 3.927 -10.383 -2.351 1.00 14.35 C ATOM 541 CZ TYR A 31 4.674 -11.076 -3.273 1.00 11.23 C ATOM 542 OH TYR A 31 4.616 -12.441 -3.325 1.00 1.30 O ATOM 0 H TYR A 31 7.461 -6.668 -3.091 1.00 31.52 H new ATOM 0 HA TYR A 31 5.324 -5.954 -4.905 1.00 4.41 H new ATOM 0 HB2 TYR A 31 5.293 -6.610 -1.931 1.00 32.22 H new ATOM 0 HB3 TYR A 31 3.864 -6.447 -2.932 1.00 32.22 H new ATOM 0 HD1 TYR A 31 6.277 -8.532 -4.742 1.00 63.20 H new ATOM 0 HD2 TYR A 31 3.431 -8.484 -1.558 1.00 35.43 H new ATOM 0 HE1 TYR A 31 6.084 -10.967 -4.848 1.00 33.32 H new ATOM 0 HE2 TYR A 31 3.266 -10.912 -1.681 1.00 14.35 H new ATOM 0 HH TYR A 31 4.926 -12.814 -2.474 1.00 1.30 H new ATOM 552 N GLY A 32 5.989 -3.970 -2.218 1.00 5.33 N ATOM 553 CA GLY A 32 5.854 -2.560 -1.900 1.00 42.03 C ATOM 554 C GLY A 32 6.863 -2.044 -0.910 1.00 64.11 C ATOM 555 O GLY A 32 6.487 -1.262 -0.033 1.00 14.45 O ATOM 0 H GLY A 32 6.515 -4.534 -1.550 1.00 5.33 H new ATOM 0 HA2 GLY A 32 5.939 -1.983 -2.821 1.00 42.03 H new ATOM 0 HA3 GLY A 32 4.853 -2.384 -1.505 1.00 42.03 H new ATOM 559 N ASN A 33 8.129 -2.510 -1.046 1.00 72.32 N ATOM 560 CA ASN A 33 9.281 -2.030 -0.262 1.00 62.21 C ATOM 561 C ASN A 33 9.174 -2.462 1.228 1.00 3.22 C ATOM 562 O ASN A 33 8.520 -1.807 2.047 1.00 51.05 O ATOM 563 CB ASN A 33 9.461 -0.507 -0.400 1.00 62.52 C ATOM 564 CG ASN A 33 10.724 0.026 0.263 1.00 5.51 C ATOM 565 OD1 ASN A 33 11.807 0.001 -0.324 1.00 44.44 O ATOM 566 ND2 ASN A 33 10.582 0.545 1.475 1.00 42.42 N ATOM 0 H ASN A 33 8.376 -3.240 -1.714 1.00 72.32 H new ATOM 0 HA ASN A 33 10.175 -2.500 -0.672 1.00 62.21 H new ATOM 0 HB2 ASN A 33 9.480 -0.247 -1.458 1.00 62.52 H new ATOM 0 HB3 ASN A 33 8.595 -0.007 0.035 1.00 62.52 H new ATOM 0 HD21 ASN A 33 11.388 0.944 1.957 1.00 42.42 H new ATOM 0 HD22 ASN A 33 9.667 0.546 1.926 1.00 42.42 H new ATOM 573 N ILE A 34 9.796 -3.598 1.543 1.00 15.12 N ATOM 574 CA ILE A 34 9.806 -4.152 2.929 1.00 63.21 C ATOM 575 C ILE A 34 10.743 -3.360 3.880 1.00 63.31 C ATOM 576 O ILE A 34 11.896 -3.059 3.536 1.00 72.51 O ATOM 577 CB ILE A 34 10.051 -5.734 2.982 1.00 33.24 C ATOM 578 CG1 ILE A 34 10.808 -6.237 4.260 1.00 51.11 C ATOM 579 CG2 ILE A 34 10.708 -6.258 1.715 1.00 44.33 C ATOM 580 CD1 ILE A 34 12.343 -6.241 4.183 1.00 2.13 C ATOM 0 H ILE A 34 10.306 -4.166 0.866 1.00 15.12 H new ATOM 0 HA ILE A 34 8.795 -4.009 3.310 1.00 63.21 H new ATOM 0 HB ILE A 34 9.049 -6.158 3.050 1.00 33.24 H new ATOM 0 HG12 ILE A 34 10.509 -5.614 5.103 1.00 51.11 H new ATOM 0 HG13 ILE A 34 10.473 -7.251 4.479 1.00 51.11 H new ATOM 0 HG21 ILE A 34 10.853 -7.335 1.799 1.00 44.33 H new ATOM 0 HG22 ILE A 34 10.069 -6.044 0.858 1.00 44.33 H new ATOM 0 HG23 ILE A 34 11.674 -5.771 1.578 1.00 44.33 H new ATOM 0 HD11 ILE A 34 12.754 -6.608 5.124 1.00 2.13 H new ATOM 0 HD12 ILE A 34 12.665 -6.890 3.369 1.00 2.13 H new ATOM 0 HD13 ILE A 34 12.701 -5.227 4.002 1.00 2.13 H new ATOM 592 N LEU A 35 10.211 -2.966 5.062 1.00 73.35 N ATOM 593 CA LEU A 35 11.045 -2.314 6.102 1.00 43.04 C ATOM 594 C LEU A 35 11.250 -3.287 7.286 1.00 40.21 C ATOM 595 O LEU A 35 12.205 -3.149 8.057 1.00 53.24 O ATOM 596 CB LEU A 35 10.541 -0.893 6.571 1.00 23.04 C ATOM 597 CG LEU A 35 9.669 -0.112 5.563 1.00 24.35 C ATOM 598 CD1 LEU A 35 8.178 -0.372 5.782 1.00 71.11 C ATOM 599 CD2 LEU A 35 9.968 1.386 5.597 1.00 34.32 C ATOM 0 H LEU A 35 9.230 -3.084 5.317 1.00 73.35 H new ATOM 0 HA LEU A 35 12.007 -2.097 5.637 1.00 43.04 H new ATOM 0 HB2 LEU A 35 9.971 -1.018 7.492 1.00 23.04 H new ATOM 0 HB3 LEU A 35 11.411 -0.284 6.815 1.00 23.04 H new ATOM 0 HG LEU A 35 9.929 -0.482 4.571 1.00 24.35 H new ATOM 0 HD11 LEU A 35 7.599 0.195 5.053 1.00 71.11 H new ATOM 0 HD12 LEU A 35 7.972 -1.435 5.660 1.00 71.11 H new ATOM 0 HD13 LEU A 35 7.899 -0.061 6.789 1.00 71.11 H new ATOM 0 HD21 LEU A 35 9.334 1.900 4.874 1.00 34.32 H new ATOM 0 HD22 LEU A 35 9.768 1.774 6.596 1.00 34.32 H new ATOM 0 HD23 LEU A 35 11.015 1.554 5.346 1.00 34.32 H new ATOM 611 N LYS A 36 10.340 -4.275 7.404 1.00 34.44 N ATOM 612 CA LYS A 36 10.296 -5.223 8.546 1.00 51.41 C ATOM 613 C LYS A 36 9.737 -6.589 8.037 1.00 23.33 C ATOM 614 O LYS A 36 8.728 -6.587 7.332 1.00 1.41 O ATOM 615 CB LYS A 36 9.373 -4.624 9.634 1.00 61.12 C ATOM 616 CG LYS A 36 9.590 -5.081 11.079 1.00 42.42 C ATOM 617 CD LYS A 36 8.728 -6.296 11.424 1.00 53.44 C ATOM 618 CE LYS A 36 7.966 -6.117 12.733 1.00 54.44 C ATOM 619 NZ LYS A 36 7.188 -4.846 12.764 1.00 21.33 N ATOM 0 H LYS A 36 9.611 -4.442 6.710 1.00 34.44 H new ATOM 0 HA LYS A 36 11.288 -5.385 8.967 1.00 51.41 H new ATOM 0 HB2 LYS A 36 9.480 -3.540 9.605 1.00 61.12 H new ATOM 0 HB3 LYS A 36 8.342 -4.850 9.362 1.00 61.12 H new ATOM 0 HG2 LYS A 36 10.641 -5.326 11.229 1.00 42.42 H new ATOM 0 HG3 LYS A 36 9.354 -4.262 11.759 1.00 42.42 H new ATOM 0 HD2 LYS A 36 8.019 -6.476 10.616 1.00 53.44 H new ATOM 0 HD3 LYS A 36 9.362 -7.180 11.494 1.00 53.44 H new ATOM 0 HE2 LYS A 36 7.288 -6.959 12.875 1.00 54.44 H new ATOM 0 HE3 LYS A 36 8.670 -6.130 13.565 1.00 54.44 H new ATOM 0 HZ1 LYS A 36 6.272 -5.011 13.228 1.00 21.33 H new ATOM 0 HZ2 LYS A 36 7.720 -4.126 13.294 1.00 21.33 H new ATOM 0 HZ3 LYS A 36 7.028 -4.513 11.792 1.00 21.33 H new ATOM 633 N CYS A 37 10.377 -7.743 8.345 1.00 44.54 N ATOM 634 CA CYS A 37 9.846 -9.063 7.947 1.00 22.44 C ATOM 635 C CYS A 37 10.015 -10.047 9.083 1.00 63.12 C ATOM 636 O CYS A 37 11.143 -10.411 9.424 1.00 2.14 O ATOM 637 CB CYS A 37 10.554 -9.609 6.685 1.00 64.31 C ATOM 638 SG CYS A 37 12.280 -9.101 6.495 1.00 54.20 S ATOM 0 H CYS A 37 11.254 -7.784 8.864 1.00 44.54 H new ATOM 0 HA CYS A 37 8.789 -8.938 7.714 1.00 22.44 H new ATOM 0 HB2 CYS A 37 10.512 -10.698 6.706 1.00 64.31 H new ATOM 0 HB3 CYS A 37 9.997 -9.285 5.806 1.00 64.31 H new ATOM 0 HG CYS A 37 12.768 -9.619 5.407 1.00 54.20 H new ATOM 644 N ASP A 38 8.913 -10.459 9.702 1.00 3.05 N ATOM 645 CA ASP A 38 9.059 -11.473 10.781 1.00 1.14 C ATOM 646 C ASP A 38 8.306 -12.766 10.443 1.00 73.31 C ATOM 647 O ASP A 38 7.262 -12.728 9.787 1.00 65.50 O ATOM 648 CB ASP A 38 8.594 -10.905 12.136 1.00 20.35 C ATOM 649 CG ASP A 38 9.332 -11.494 13.331 1.00 15.00 C ATOM 650 OD1 ASP A 38 9.118 -12.681 13.654 1.00 12.20 O ATOM 651 OD2 ASP A 38 10.117 -10.757 13.958 1.00 4.42 O ATOM 0 H ASP A 38 7.963 -10.143 9.506 1.00 3.05 H new ATOM 0 HA ASP A 38 10.118 -11.719 10.860 1.00 1.14 H new ATOM 0 HB2 ASP A 38 8.730 -9.824 12.133 1.00 20.35 H new ATOM 0 HB3 ASP A 38 7.526 -11.092 12.251 1.00 20.35 H new ATOM 656 N VAL A 39 8.858 -13.910 10.871 1.00 53.20 N ATOM 657 CA VAL A 39 8.161 -15.190 10.744 1.00 35.13 C ATOM 658 C VAL A 39 7.872 -15.693 12.137 1.00 71.22 C ATOM 659 O VAL A 39 8.780 -16.055 12.893 1.00 11.03 O ATOM 660 CB VAL A 39 8.952 -16.350 9.979 1.00 1.24 C ATOM 661 CG1 VAL A 39 8.094 -17.600 9.777 1.00 41.24 C ATOM 662 CG2 VAL A 39 9.584 -15.981 8.626 1.00 65.40 C ATOM 0 H VAL A 39 9.779 -13.972 11.305 1.00 53.20 H new ATOM 0 HA VAL A 39 7.277 -14.981 10.141 1.00 35.13 H new ATOM 0 HB VAL A 39 9.779 -16.540 10.663 1.00 1.24 H new ATOM 0 HG11 VAL A 39 8.675 -18.359 9.253 1.00 41.24 H new ATOM 0 HG12 VAL A 39 7.781 -17.987 10.747 1.00 41.24 H new ATOM 0 HG13 VAL A 39 7.214 -17.346 9.187 1.00 41.24 H new ATOM 0 HG21 VAL A 39 10.090 -16.853 8.211 1.00 65.40 H new ATOM 0 HG22 VAL A 39 8.805 -15.652 7.938 1.00 65.40 H new ATOM 0 HG23 VAL A 39 10.305 -15.177 8.769 1.00 65.40 H new ATOM 672 N LYS A 40 6.594 -15.725 12.460 1.00 4.31 N ATOM 673 CA LYS A 40 6.139 -16.217 13.748 1.00 75.42 C ATOM 674 C LYS A 40 5.305 -17.505 13.523 1.00 62.33 C ATOM 675 O LYS A 40 4.420 -17.481 12.677 1.00 13.52 O ATOM 676 CB LYS A 40 5.339 -15.063 14.392 1.00 52.20 C ATOM 677 CG LYS A 40 6.226 -13.871 14.681 1.00 24.45 C ATOM 678 CD LYS A 40 5.627 -12.959 15.736 1.00 14.42 C ATOM 679 CE LYS A 40 4.487 -12.086 15.219 1.00 61.25 C ATOM 680 NZ LYS A 40 3.797 -11.397 16.342 1.00 55.34 N ATOM 0 H LYS A 40 5.845 -15.413 11.842 1.00 4.31 H new ATOM 0 HA LYS A 40 6.950 -16.496 14.420 1.00 75.42 H new ATOM 0 HB2 LYS A 40 4.530 -14.763 13.726 1.00 52.20 H new ATOM 0 HB3 LYS A 40 4.879 -15.409 15.318 1.00 52.20 H new ATOM 0 HG2 LYS A 40 7.203 -14.219 15.015 1.00 24.45 H new ATOM 0 HG3 LYS A 40 6.386 -13.307 13.762 1.00 24.45 H new ATOM 0 HD2 LYS A 40 5.260 -13.567 16.563 1.00 14.42 H new ATOM 0 HD3 LYS A 40 6.412 -12.317 16.136 1.00 14.42 H new ATOM 0 HE2 LYS A 40 4.877 -11.348 14.519 1.00 61.25 H new ATOM 0 HE3 LYS A 40 3.773 -12.700 14.670 1.00 61.25 H new ATOM 0 HZ1 LYS A 40 3.025 -10.809 15.967 1.00 55.34 H new ATOM 0 HZ2 LYS A 40 3.406 -12.105 16.996 1.00 55.34 H new ATOM 0 HZ3 LYS A 40 4.476 -10.795 16.849 1.00 55.34 H new ATOM 694 N LYS A 41 5.562 -18.645 14.236 1.00 14.22 N ATOM 695 CA LYS A 41 4.864 -19.897 13.861 1.00 24.44 C ATOM 696 C LYS A 41 4.259 -20.544 15.143 1.00 33.32 C ATOM 697 O LYS A 41 4.856 -20.396 16.215 1.00 15.00 O ATOM 698 CB LYS A 41 5.807 -20.875 13.000 1.00 50.34 C ATOM 699 CG LYS A 41 6.668 -21.923 13.749 1.00 64.21 C ATOM 700 CD LYS A 41 7.596 -21.330 14.810 1.00 24.54 C ATOM 701 CE LYS A 41 8.535 -20.257 14.265 1.00 34.31 C ATOM 702 NZ LYS A 41 9.767 -20.136 15.082 1.00 60.14 N ATOM 0 H LYS A 41 6.207 -18.716 15.023 1.00 14.22 H new ATOM 0 HA LYS A 41 4.034 -19.676 13.190 1.00 24.44 H new ATOM 0 HB2 LYS A 41 5.172 -21.411 12.295 1.00 50.34 H new ATOM 0 HB3 LYS A 41 6.481 -20.252 12.412 1.00 50.34 H new ATOM 0 HG2 LYS A 41 6.006 -22.647 14.225 1.00 64.21 H new ATOM 0 HG3 LYS A 41 7.268 -22.470 13.022 1.00 64.21 H new ATOM 0 HD2 LYS A 41 6.993 -20.902 15.611 1.00 24.54 H new ATOM 0 HD3 LYS A 41 8.189 -22.131 15.251 1.00 24.54 H new ATOM 0 HE2 LYS A 41 8.803 -20.497 13.236 1.00 34.31 H new ATOM 0 HE3 LYS A 41 8.017 -19.298 14.244 1.00 34.31 H new ATOM 0 HZ1 LYS A 41 10.379 -19.397 14.680 1.00 60.14 H new ATOM 0 HZ2 LYS A 41 9.513 -19.882 16.058 1.00 60.14 H new ATOM 0 HZ3 LYS A 41 10.274 -21.044 15.082 1.00 60.14 H new ATOM 716 N THR A 42 3.070 -21.196 15.090 1.00 24.15 N ATOM 717 CA THR A 42 2.504 -21.761 16.302 1.00 30.13 C ATOM 718 C THR A 42 2.785 -23.290 16.412 1.00 12.21 C ATOM 719 O THR A 42 3.261 -23.908 15.451 1.00 5.15 O ATOM 720 CB THR A 42 0.975 -21.436 16.396 1.00 15.34 C ATOM 721 OG1 THR A 42 0.475 -21.717 17.710 1.00 25.33 O ATOM 722 CG2 THR A 42 0.139 -22.213 15.367 1.00 22.43 C ATOM 0 H THR A 42 2.515 -21.331 14.245 1.00 24.15 H new ATOM 0 HA THR A 42 2.997 -21.295 17.155 1.00 30.13 H new ATOM 0 HB THR A 42 0.877 -20.373 16.177 1.00 15.34 H new ATOM 0 HG1 THR A 42 -0.481 -21.506 17.748 1.00 25.33 H new ATOM 0 HG21 THR A 42 -0.913 -21.948 15.478 1.00 22.43 H new ATOM 0 HG22 THR A 42 0.473 -21.959 14.361 1.00 22.43 H new ATOM 0 HG23 THR A 42 0.263 -23.283 15.531 1.00 22.43 H new ATOM 730 N VAL A 43 2.470 -23.894 17.590 1.00 50.42 N ATOM 731 CA VAL A 43 2.711 -25.330 17.880 1.00 30.21 C ATOM 732 C VAL A 43 1.713 -26.268 17.132 1.00 65.21 C ATOM 733 O VAL A 43 1.885 -27.486 17.120 1.00 44.21 O ATOM 734 CB VAL A 43 2.695 -25.634 19.440 1.00 73.23 C ATOM 735 CG1 VAL A 43 3.536 -26.861 19.779 1.00 44.32 C ATOM 736 CG2 VAL A 43 3.155 -24.433 20.295 1.00 4.35 C ATOM 0 H VAL A 43 2.040 -23.393 18.367 1.00 50.42 H new ATOM 0 HA VAL A 43 3.711 -25.545 17.502 1.00 30.21 H new ATOM 0 HB VAL A 43 1.653 -25.834 19.689 1.00 73.23 H new ATOM 0 HG11 VAL A 43 3.502 -27.039 20.854 1.00 44.32 H new ATOM 0 HG12 VAL A 43 3.139 -27.730 19.254 1.00 44.32 H new ATOM 0 HG13 VAL A 43 4.568 -26.691 19.471 1.00 44.32 H new ATOM 0 HG21 VAL A 43 3.122 -24.704 21.350 1.00 4.35 H new ATOM 0 HG22 VAL A 43 4.175 -24.161 20.022 1.00 4.35 H new ATOM 0 HG23 VAL A 43 2.494 -23.585 20.117 1.00 4.35 H new ATOM 746 N SER A 44 0.701 -25.694 16.462 1.00 54.21 N ATOM 747 CA SER A 44 -0.324 -26.468 15.758 1.00 22.30 C ATOM 748 C SER A 44 0.143 -26.838 14.327 1.00 20.22 C ATOM 749 O SER A 44 -0.636 -27.363 13.526 1.00 41.20 O ATOM 750 CB SER A 44 -1.646 -25.653 15.701 1.00 22.34 C ATOM 751 OG SER A 44 -2.743 -26.465 15.327 1.00 65.41 O ATOM 0 H SER A 44 0.574 -24.684 16.395 1.00 54.21 H new ATOM 0 HA SER A 44 -0.495 -27.396 16.304 1.00 22.30 H new ATOM 0 HB2 SER A 44 -1.840 -25.205 16.675 1.00 22.34 H new ATOM 0 HB3 SER A 44 -1.539 -24.834 14.989 1.00 22.34 H new ATOM 0 HG SER A 44 -2.450 -27.127 14.667 1.00 65.41 H new ATOM 757 N GLY A 45 1.430 -26.565 14.019 1.00 54.21 N ATOM 758 CA GLY A 45 1.989 -26.843 12.694 1.00 3.20 C ATOM 759 C GLY A 45 1.709 -25.775 11.631 1.00 53.44 C ATOM 760 O GLY A 45 2.223 -25.875 10.512 1.00 32.53 O ATOM 0 H GLY A 45 2.094 -26.153 14.675 1.00 54.21 H new ATOM 0 HA2 GLY A 45 3.068 -26.963 12.790 1.00 3.20 H new ATOM 0 HA3 GLY A 45 1.593 -27.796 12.342 1.00 3.20 H new ATOM 764 N ALA A 46 0.912 -24.756 11.968 1.00 4.11 N ATOM 765 CA ALA A 46 0.643 -23.646 11.055 1.00 1.52 C ATOM 766 C ALA A 46 1.728 -22.547 11.202 1.00 22.03 C ATOM 767 O ALA A 46 2.051 -22.136 12.321 1.00 54.11 O ATOM 768 CB ALA A 46 -0.788 -23.098 11.286 1.00 71.50 C ATOM 0 H ALA A 46 0.442 -24.679 12.870 1.00 4.11 H new ATOM 0 HA ALA A 46 0.690 -24.005 10.027 1.00 1.52 H new ATOM 0 HB1 ALA A 46 -0.976 -22.272 10.600 1.00 71.50 H new ATOM 0 HB2 ALA A 46 -1.514 -23.891 11.107 1.00 71.50 H new ATOM 0 HB3 ALA A 46 -0.881 -22.745 12.313 1.00 71.50 H new ATOM 774 N ALA A 47 2.293 -22.081 10.070 1.00 13.15 N ATOM 775 CA ALA A 47 3.337 -21.029 10.086 1.00 12.11 C ATOM 776 C ALA A 47 2.700 -19.724 9.619 1.00 43.45 C ATOM 777 O ALA A 47 1.775 -19.778 8.799 1.00 12.22 O ATOM 778 CB ALA A 47 4.587 -21.373 9.223 1.00 1.31 C ATOM 0 H ALA A 47 2.048 -22.412 9.137 1.00 13.15 H new ATOM 0 HA ALA A 47 3.711 -20.941 11.106 1.00 12.11 H new ATOM 0 HB1 ALA A 47 5.307 -20.557 9.284 1.00 1.31 H new ATOM 0 HB2 ALA A 47 5.045 -22.289 9.595 1.00 1.31 H new ATOM 0 HB3 ALA A 47 4.285 -21.514 8.185 1.00 1.31 H new ATOM 784 N PHE A 48 3.146 -18.550 10.120 1.00 34.05 N ATOM 785 CA PHE A 48 2.571 -17.317 9.617 1.00 41.22 C ATOM 786 C PHE A 48 3.684 -16.386 9.143 1.00 24.22 C ATOM 787 O PHE A 48 4.783 -16.379 9.711 1.00 74.10 O ATOM 788 CB PHE A 48 1.819 -16.607 10.760 1.00 32.42 C ATOM 789 CG PHE A 48 0.892 -17.501 11.518 1.00 4.25 C ATOM 790 CD1 PHE A 48 -0.328 -17.857 10.986 1.00 50.14 C ATOM 791 CD2 PHE A 48 1.250 -17.991 12.761 1.00 24.03 C ATOM 792 CE1 PHE A 48 -1.173 -18.689 11.673 1.00 54.31 C ATOM 793 CE2 PHE A 48 0.419 -18.814 13.448 1.00 32.12 C ATOM 794 CZ PHE A 48 -0.801 -19.175 12.913 1.00 1.21 C ATOM 0 H PHE A 48 3.866 -18.446 10.835 1.00 34.05 H new ATOM 0 HA PHE A 48 1.896 -17.550 8.794 1.00 41.22 H new ATOM 0 HB2 PHE A 48 2.546 -16.182 11.452 1.00 32.42 H new ATOM 0 HB3 PHE A 48 1.249 -15.775 10.346 1.00 32.42 H new ATOM 0 HD1 PHE A 48 -0.621 -17.477 10.019 1.00 50.14 H new ATOM 0 HD2 PHE A 48 2.202 -17.715 13.189 1.00 24.03 H new ATOM 0 HE1 PHE A 48 -2.127 -18.964 11.247 1.00 54.31 H new ATOM 0 HE2 PHE A 48 0.713 -19.188 14.417 1.00 32.12 H new ATOM 0 HZ PHE A 48 -1.461 -19.833 13.459 1.00 1.21 H new ATOM 804 N ALA A 49 3.397 -15.593 8.109 1.00 13.43 N ATOM 805 CA ALA A 49 4.368 -14.619 7.632 1.00 50.44 C ATOM 806 C ALA A 49 3.812 -13.212 7.803 1.00 74.14 C ATOM 807 O ALA A 49 2.631 -12.976 7.550 1.00 60.42 O ATOM 808 CB ALA A 49 4.776 -14.920 6.177 1.00 52.35 C ATOM 0 H ALA A 49 2.515 -15.608 7.597 1.00 13.43 H new ATOM 0 HA ALA A 49 5.277 -14.690 8.229 1.00 50.44 H new ATOM 0 HB1 ALA A 49 5.502 -14.179 5.842 1.00 52.35 H new ATOM 0 HB2 ALA A 49 5.220 -15.914 6.122 1.00 52.35 H new ATOM 0 HB3 ALA A 49 3.895 -14.880 5.536 1.00 52.35 H new ATOM 814 N PHE A 50 4.665 -12.281 8.242 1.00 23.30 N ATOM 815 CA PHE A 50 4.235 -10.948 8.537 1.00 14.43 C ATOM 816 C PHE A 50 5.184 -10.005 7.794 1.00 40.51 C ATOM 817 O PHE A 50 6.399 -9.961 8.127 1.00 21.22 O ATOM 818 CB PHE A 50 4.308 -10.726 10.067 1.00 21.25 C ATOM 819 CG PHE A 50 3.059 -10.129 10.677 1.00 13.12 C ATOM 820 CD1 PHE A 50 2.196 -9.311 9.948 1.00 63.41 C ATOM 821 CD2 PHE A 50 2.746 -10.400 11.999 1.00 50.53 C ATOM 822 CE1 PHE A 50 1.056 -8.787 10.527 1.00 20.35 C ATOM 823 CE2 PHE A 50 1.611 -9.875 12.582 1.00 64.33 C ATOM 824 CZ PHE A 50 0.764 -9.069 11.848 1.00 44.53 C ATOM 0 H PHE A 50 5.660 -12.447 8.395 1.00 23.30 H new ATOM 0 HA PHE A 50 3.208 -10.766 8.222 1.00 14.43 H new ATOM 0 HB2 PHE A 50 4.511 -11.682 10.550 1.00 21.25 H new ATOM 0 HB3 PHE A 50 5.152 -10.072 10.286 1.00 21.25 H new ATOM 0 HD1 PHE A 50 2.422 -9.084 8.917 1.00 63.41 H new ATOM 0 HD2 PHE A 50 3.400 -11.032 12.582 1.00 50.53 H new ATOM 0 HE1 PHE A 50 0.395 -8.159 9.949 1.00 20.35 H new ATOM 0 HE2 PHE A 50 1.385 -10.095 13.615 1.00 64.33 H new ATOM 0 HZ PHE A 50 -0.125 -8.660 12.305 1.00 44.53 H new ATOM 834 N ILE A 51 4.663 -9.252 6.783 1.00 40.31 N ATOM 835 CA ILE A 51 5.598 -8.480 5.907 1.00 71.52 C ATOM 836 C ILE A 51 5.140 -7.031 5.818 1.00 15.03 C ATOM 837 O ILE A 51 4.086 -6.733 5.257 1.00 13.21 O ATOM 838 CB ILE A 51 5.844 -9.020 4.418 1.00 52.44 C ATOM 839 CG1 ILE A 51 5.900 -10.567 4.227 1.00 50.20 C ATOM 840 CG2 ILE A 51 7.210 -8.491 3.974 1.00 15.33 C ATOM 841 CD1 ILE A 51 4.660 -11.387 4.626 1.00 12.15 C ATOM 0 H ILE A 51 3.671 -9.163 6.562 1.00 40.31 H new ATOM 0 HA ILE A 51 6.559 -8.603 6.407 1.00 71.52 H new ATOM 0 HB ILE A 51 4.983 -8.676 3.844 1.00 52.44 H new ATOM 0 HG12 ILE A 51 6.109 -10.767 3.176 1.00 50.20 H new ATOM 0 HG13 ILE A 51 6.748 -10.944 4.798 1.00 50.20 H new ATOM 0 HG21 ILE A 51 7.422 -8.835 2.961 1.00 15.33 H new ATOM 0 HG22 ILE A 51 7.202 -7.401 3.993 1.00 15.33 H new ATOM 0 HG23 ILE A 51 7.981 -8.860 4.651 1.00 15.33 H new ATOM 0 HD11 ILE A 51 4.847 -12.444 4.437 1.00 12.15 H new ATOM 0 HD12 ILE A 51 4.451 -11.239 5.686 1.00 12.15 H new ATOM 0 HD13 ILE A 51 3.803 -11.059 4.038 1.00 12.15 H new ATOM 853 N GLU A 52 5.963 -6.162 6.367 1.00 32.31 N ATOM 854 CA GLU A 52 5.632 -4.723 6.542 1.00 41.01 C ATOM 855 C GLU A 52 6.096 -3.855 5.337 1.00 15.31 C ATOM 856 O GLU A 52 7.315 -3.748 5.080 1.00 61.34 O ATOM 857 CB GLU A 52 6.269 -4.214 7.840 1.00 1.35 C ATOM 858 CG GLU A 52 5.931 -2.778 8.259 1.00 23.11 C ATOM 859 CD GLU A 52 6.585 -2.432 9.580 1.00 54.24 C ATOM 860 OE1 GLU A 52 6.164 -3.004 10.618 1.00 4.21 O ATOM 861 OE2 GLU A 52 7.518 -1.612 9.589 1.00 52.12 O ATOM 0 H GLU A 52 6.889 -6.413 6.713 1.00 32.31 H new ATOM 0 HA GLU A 52 4.547 -4.633 6.595 1.00 41.01 H new ATOM 0 HB2 GLU A 52 5.973 -4.882 8.649 1.00 1.35 H new ATOM 0 HB3 GLU A 52 7.352 -4.293 7.741 1.00 1.35 H new ATOM 0 HG2 GLU A 52 6.266 -2.082 7.490 1.00 23.11 H new ATOM 0 HG3 GLU A 52 4.850 -2.664 8.343 1.00 23.11 H new ATOM 868 N PHE A 53 5.123 -3.248 4.601 1.00 50.42 N ATOM 869 CA PHE A 53 5.424 -2.442 3.391 1.00 42.23 C ATOM 870 C PHE A 53 5.207 -0.926 3.569 1.00 44.11 C ATOM 871 O PHE A 53 4.494 -0.519 4.488 1.00 55.32 O ATOM 872 CB PHE A 53 4.591 -2.944 2.209 1.00 52.01 C ATOM 873 CG PHE A 53 4.952 -4.337 1.801 1.00 71.10 C ATOM 874 CD1 PHE A 53 6.270 -4.657 1.532 1.00 71.51 C ATOM 875 CD2 PHE A 53 3.997 -5.326 1.708 1.00 1.23 C ATOM 876 CE1 PHE A 53 6.629 -5.926 1.179 1.00 62.51 C ATOM 877 CE2 PHE A 53 4.350 -6.601 1.351 1.00 34.34 C ATOM 878 CZ PHE A 53 5.669 -6.904 1.085 1.00 15.24 C ATOM 0 H PHE A 53 4.130 -3.303 4.826 1.00 50.42 H new ATOM 0 HA PHE A 53 6.489 -2.577 3.201 1.00 42.23 H new ATOM 0 HB2 PHE A 53 3.534 -2.909 2.473 1.00 52.01 H new ATOM 0 HB3 PHE A 53 4.730 -2.274 1.361 1.00 52.01 H new ATOM 0 HD1 PHE A 53 7.028 -3.891 1.602 1.00 71.51 H new ATOM 0 HD2 PHE A 53 2.963 -5.095 1.918 1.00 1.23 H new ATOM 0 HE1 PHE A 53 7.663 -6.160 0.975 1.00 62.51 H new ATOM 0 HE2 PHE A 53 3.595 -7.369 1.278 1.00 34.34 H new ATOM 0 HZ PHE A 53 5.947 -7.909 0.803 1.00 15.24 H new ATOM 888 N GLU A 54 5.838 -0.084 2.702 1.00 30.40 N ATOM 889 CA GLU A 54 5.533 1.386 2.723 1.00 32.30 C ATOM 890 C GLU A 54 4.254 1.730 1.933 1.00 62.02 C ATOM 891 O GLU A 54 3.432 2.516 2.420 1.00 14.30 O ATOM 892 CB GLU A 54 6.716 2.352 2.334 1.00 32.42 C ATOM 893 CG GLU A 54 6.869 2.749 0.846 1.00 23.44 C ATOM 894 CD GLU A 54 8.110 3.581 0.595 1.00 4.10 C ATOM 895 OE1 GLU A 54 8.075 4.800 0.874 1.00 63.14 O ATOM 896 OE2 GLU A 54 9.115 3.024 0.118 1.00 31.45 O ATOM 0 H GLU A 54 6.529 -0.373 2.010 1.00 30.40 H new ATOM 0 HA GLU A 54 5.363 1.582 3.782 1.00 32.30 H new ATOM 0 HB2 GLU A 54 6.604 3.268 2.914 1.00 32.42 H new ATOM 0 HB3 GLU A 54 7.648 1.885 2.653 1.00 32.42 H new ATOM 0 HG2 GLU A 54 6.909 1.848 0.235 1.00 23.44 H new ATOM 0 HG3 GLU A 54 5.989 3.309 0.530 1.00 23.44 H new ATOM 903 N ASP A 55 4.052 1.149 0.739 1.00 33.31 N ATOM 904 CA ASP A 55 2.920 1.526 -0.084 1.00 74.41 C ATOM 905 C ASP A 55 1.967 0.344 -0.276 1.00 73.12 C ATOM 906 O ASP A 55 2.398 -0.744 -0.679 1.00 4.45 O ATOM 907 CB ASP A 55 3.408 1.969 -1.459 1.00 3.31 C ATOM 908 CG ASP A 55 2.473 2.974 -2.113 1.00 65.21 C ATOM 909 OD1 ASP A 55 1.230 2.842 -1.971 1.00 3.34 O ATOM 910 OD2 ASP A 55 2.979 3.907 -2.769 1.00 2.41 O ATOM 0 H ASP A 55 4.654 0.430 0.338 1.00 33.31 H new ATOM 0 HA ASP A 55 2.396 2.339 0.419 1.00 74.41 H new ATOM 0 HB2 ASP A 55 4.401 2.409 -1.364 1.00 3.31 H new ATOM 0 HB3 ASP A 55 3.507 1.096 -2.104 1.00 3.31 H new ATOM 915 N ALA A 56 0.673 0.548 0.027 1.00 52.43 N ATOM 916 CA ALA A 56 -0.328 -0.486 -0.234 1.00 44.31 C ATOM 917 C ALA A 56 -0.774 -0.630 -1.721 1.00 54.31 C ATOM 918 O ALA A 56 -1.277 -1.706 -2.058 1.00 31.13 O ATOM 919 CB ALA A 56 -1.538 -0.369 0.710 1.00 2.03 C ATOM 0 H ALA A 56 0.307 1.404 0.444 1.00 52.43 H new ATOM 0 HA ALA A 56 0.195 -1.417 -0.016 1.00 44.31 H new ATOM 0 HB1 ALA A 56 -2.256 -1.156 0.481 1.00 2.03 H new ATOM 0 HB2 ALA A 56 -1.205 -0.471 1.743 1.00 2.03 H new ATOM 0 HB3 ALA A 56 -2.011 0.604 0.576 1.00 2.03 H new ATOM 925 N ARG A 57 -0.632 0.395 -2.625 1.00 62.04 N ATOM 926 CA ARG A 57 -1.225 0.227 -3.986 1.00 33.22 C ATOM 927 C ARG A 57 -0.380 -0.709 -4.919 1.00 34.25 C ATOM 928 O ARG A 57 -0.986 -1.494 -5.648 1.00 42.55 O ATOM 929 CB ARG A 57 -1.669 1.551 -4.740 1.00 3.35 C ATOM 930 CG ARG A 57 -0.631 2.202 -5.695 1.00 34.32 C ATOM 931 CD ARG A 57 0.488 2.979 -4.999 1.00 54.40 C ATOM 932 NE ARG A 57 0.414 4.436 -5.223 1.00 30.15 N ATOM 933 CZ ARG A 57 -0.074 5.341 -4.363 1.00 65.41 C ATOM 934 NH1 ARG A 57 -0.552 4.967 -3.177 1.00 35.23 N ATOM 935 NH2 ARG A 57 0.000 6.639 -4.667 1.00 5.14 N ATOM 0 H ARG A 57 -0.151 1.278 -2.453 1.00 62.04 H new ATOM 0 HA ARG A 57 -2.165 -0.275 -3.758 1.00 33.22 H new ATOM 0 HB2 ARG A 57 -2.566 1.327 -5.317 1.00 3.35 H new ATOM 0 HB3 ARG A 57 -1.949 2.290 -3.990 1.00 3.35 H new ATOM 0 HG2 ARG A 57 -0.183 1.420 -6.308 1.00 34.32 H new ATOM 0 HG3 ARG A 57 -1.155 2.877 -6.372 1.00 34.32 H new ATOM 0 HD2 ARG A 57 0.447 2.781 -3.928 1.00 54.40 H new ATOM 0 HD3 ARG A 57 1.451 2.612 -5.354 1.00 54.40 H new ATOM 0 HE ARG A 57 0.766 4.786 -6.114 1.00 30.15 H new ATOM 0 HH11 ARG A 57 -0.550 3.982 -2.914 1.00 35.23 H new ATOM 0 HH12 ARG A 57 -0.920 5.666 -2.532 1.00 35.23 H new ATOM 0 HH21 ARG A 57 0.425 6.933 -5.546 1.00 5.14 H new ATOM 0 HH22 ARG A 57 -0.368 7.336 -4.020 1.00 5.14 H new ATOM 949 N ASP A 58 0.992 -0.621 -4.928 1.00 3.32 N ATOM 950 CA ASP A 58 1.834 -1.529 -5.784 1.00 63.14 C ATOM 951 C ASP A 58 1.699 -3.036 -5.411 1.00 25.25 C ATOM 952 O ASP A 58 1.489 -3.872 -6.292 1.00 53.01 O ATOM 953 CB ASP A 58 3.336 -1.116 -5.767 1.00 51.14 C ATOM 954 CG ASP A 58 4.089 -1.541 -7.023 1.00 20.44 C ATOM 955 OD1 ASP A 58 4.600 -2.688 -7.081 1.00 32.12 O ATOM 956 OD2 ASP A 58 4.198 -0.712 -7.949 1.00 52.12 O ATOM 0 H ASP A 58 1.524 0.047 -4.371 1.00 3.32 H new ATOM 0 HA ASP A 58 1.442 -1.407 -6.794 1.00 63.14 H new ATOM 0 HB2 ASP A 58 3.408 -0.034 -5.657 1.00 51.14 H new ATOM 0 HB3 ASP A 58 3.818 -1.558 -4.895 1.00 51.14 H new ATOM 961 N ALA A 59 1.817 -3.373 -4.106 1.00 13.43 N ATOM 962 CA ALA A 59 1.683 -4.755 -3.593 1.00 71.44 C ATOM 963 C ALA A 59 0.344 -5.482 -3.957 1.00 61.32 C ATOM 964 O ALA A 59 0.303 -6.719 -3.933 1.00 3.14 O ATOM 965 CB ALA A 59 2.016 -4.843 -2.094 1.00 52.42 C ATOM 0 H ALA A 59 2.009 -2.688 -3.375 1.00 13.43 H new ATOM 0 HA ALA A 59 2.437 -5.323 -4.138 1.00 71.44 H new ATOM 0 HB1 ALA A 59 1.906 -5.874 -1.757 1.00 52.42 H new ATOM 0 HB2 ALA A 59 3.042 -4.515 -1.929 1.00 52.42 H new ATOM 0 HB3 ALA A 59 1.336 -4.202 -1.532 1.00 52.42 H new ATOM 971 N ALA A 60 -0.742 -4.701 -4.225 1.00 52.33 N ATOM 972 CA ALA A 60 -2.061 -5.197 -4.727 1.00 73.31 C ATOM 973 C ALA A 60 -1.950 -6.214 -5.926 1.00 12.33 C ATOM 974 O ALA A 60 -2.641 -7.255 -5.865 1.00 1.32 O ATOM 975 CB ALA A 60 -3.028 -3.990 -5.055 1.00 2.10 C ATOM 0 H ALA A 60 -0.726 -3.689 -4.096 1.00 52.33 H new ATOM 0 HA ALA A 60 -2.499 -5.775 -3.913 1.00 73.31 H new ATOM 0 HB1 ALA A 60 -3.981 -4.375 -5.418 1.00 2.10 H new ATOM 0 HB2 ALA A 60 -3.195 -3.402 -4.153 1.00 2.10 H new ATOM 0 HB3 ALA A 60 -2.576 -3.359 -5.821 1.00 2.10 H new ATOM 981 N ASP A 61 -1.074 -5.948 -6.970 1.00 65.51 N ATOM 982 CA ASP A 61 -0.791 -6.924 -8.092 1.00 2.03 C ATOM 983 C ASP A 61 -0.396 -8.322 -7.582 1.00 25.42 C ATOM 984 O ASP A 61 -0.992 -9.361 -7.951 1.00 42.22 O ATOM 985 CB ASP A 61 0.340 -6.440 -9.029 1.00 22.04 C ATOM 986 CG ASP A 61 0.098 -5.050 -9.587 1.00 13.40 C ATOM 987 OD1 ASP A 61 -0.967 -4.840 -10.218 1.00 10.22 O ATOM 988 OD2 ASP A 61 0.953 -4.173 -9.411 1.00 10.30 O ATOM 0 H ASP A 61 -0.558 -5.072 -7.053 1.00 65.51 H new ATOM 0 HA ASP A 61 -1.732 -6.982 -8.640 1.00 2.03 H new ATOM 0 HB2 ASP A 61 1.283 -6.446 -8.483 1.00 22.04 H new ATOM 0 HB3 ASP A 61 0.445 -7.143 -9.855 1.00 22.04 H new ATOM 993 N ALA A 62 0.592 -8.392 -6.725 1.00 71.15 N ATOM 994 CA ALA A 62 0.997 -9.686 -6.250 1.00 73.20 C ATOM 995 C ALA A 62 0.030 -10.270 -5.218 1.00 4.14 C ATOM 996 O ALA A 62 -0.156 -11.482 -5.199 1.00 14.02 O ATOM 997 CB ALA A 62 2.456 -9.759 -5.812 1.00 33.21 C ATOM 0 H ALA A 62 1.113 -7.598 -6.354 1.00 71.15 H new ATOM 0 HA ALA A 62 0.938 -10.337 -7.122 1.00 73.20 H new ATOM 0 HB1 ALA A 62 2.682 -10.768 -5.467 1.00 33.21 H new ATOM 0 HB2 ALA A 62 3.102 -9.510 -6.654 1.00 33.21 H new ATOM 0 HB3 ALA A 62 2.628 -9.051 -5.001 1.00 33.21 H new ATOM 1003 N ILE A 63 -0.657 -9.454 -4.418 1.00 45.42 N ATOM 1004 CA ILE A 63 -1.589 -10.052 -3.452 1.00 54.14 C ATOM 1005 C ILE A 63 -2.784 -10.684 -4.136 1.00 15.22 C ATOM 1006 O ILE A 63 -3.114 -11.794 -3.780 1.00 4.23 O ATOM 1007 CB ILE A 63 -1.996 -9.139 -2.239 1.00 41.12 C ATOM 1008 CG1 ILE A 63 -0.905 -9.194 -1.172 1.00 4.34 C ATOM 1009 CG2 ILE A 63 -3.335 -9.529 -1.570 1.00 54.43 C ATOM 1010 CD1 ILE A 63 -0.823 -10.547 -0.461 1.00 2.23 C ATOM 0 H ILE A 63 -0.597 -8.436 -4.412 1.00 45.42 H new ATOM 0 HA ILE A 63 -1.012 -10.848 -2.982 1.00 54.14 H new ATOM 0 HB ILE A 63 -2.120 -8.138 -2.653 1.00 41.12 H new ATOM 0 HG12 ILE A 63 0.057 -8.975 -1.634 1.00 4.34 H new ATOM 0 HG13 ILE A 63 -1.089 -8.414 -0.434 1.00 4.34 H new ATOM 0 HG21 ILE A 63 -3.540 -8.849 -0.743 1.00 54.43 H new ATOM 0 HG22 ILE A 63 -4.140 -9.464 -2.302 1.00 54.43 H new ATOM 0 HG23 ILE A 63 -3.270 -10.550 -1.193 1.00 54.43 H new ATOM 0 HD11 ILE A 63 -0.028 -10.519 0.284 1.00 2.23 H new ATOM 0 HD12 ILE A 63 -1.773 -10.758 0.030 1.00 2.23 H new ATOM 0 HD13 ILE A 63 -0.609 -11.329 -1.190 1.00 2.23 H new ATOM 1022 N LYS A 64 -3.422 -10.023 -5.091 1.00 5.25 N ATOM 1023 CA LYS A 64 -4.348 -10.750 -5.971 1.00 4.24 C ATOM 1024 C LYS A 64 -3.723 -11.958 -6.740 1.00 51.34 C ATOM 1025 O LYS A 64 -4.454 -12.915 -7.018 1.00 71.21 O ATOM 1026 CB LYS A 64 -5.102 -9.817 -6.953 1.00 43.43 C ATOM 1027 CG LYS A 64 -4.245 -8.977 -7.948 1.00 11.35 C ATOM 1028 CD LYS A 64 -3.716 -9.748 -9.161 1.00 32.10 C ATOM 1029 CE LYS A 64 -3.266 -8.808 -10.261 1.00 14.01 C ATOM 1030 NZ LYS A 64 -4.189 -8.813 -11.415 1.00 43.41 N ATOM 0 H LYS A 64 -3.328 -9.025 -5.279 1.00 5.25 H new ATOM 0 HA LYS A 64 -5.068 -11.178 -5.273 1.00 4.24 H new ATOM 0 HB2 LYS A 64 -5.791 -10.428 -7.536 1.00 43.43 H new ATOM 0 HB3 LYS A 64 -5.707 -9.127 -6.364 1.00 43.43 H new ATOM 0 HG2 LYS A 64 -4.845 -8.139 -8.303 1.00 11.35 H new ATOM 0 HG3 LYS A 64 -3.398 -8.555 -7.407 1.00 11.35 H new ATOM 0 HD2 LYS A 64 -2.882 -10.380 -8.857 1.00 32.10 H new ATOM 0 HD3 LYS A 64 -4.495 -10.409 -9.541 1.00 32.10 H new ATOM 0 HE2 LYS A 64 -3.191 -7.796 -9.863 1.00 14.01 H new ATOM 0 HE3 LYS A 64 -2.269 -9.094 -10.595 1.00 14.01 H new ATOM 0 HZ1 LYS A 64 -3.840 -8.156 -12.141 1.00 43.41 H new ATOM 0 HZ2 LYS A 64 -4.242 -9.772 -11.813 1.00 43.41 H new ATOM 0 HZ3 LYS A 64 -5.135 -8.515 -11.104 1.00 43.41 H new ATOM 1044 N GLU A 65 -2.410 -11.926 -7.141 1.00 10.31 N ATOM 1045 CA GLU A 65 -1.793 -13.163 -7.740 1.00 32.04 C ATOM 1046 C GLU A 65 -1.710 -14.355 -6.738 1.00 44.24 C ATOM 1047 O GLU A 65 -1.725 -15.507 -7.187 1.00 31.54 O ATOM 1048 CB GLU A 65 -0.420 -12.896 -8.438 1.00 55.00 C ATOM 1049 CG GLU A 65 0.820 -13.008 -7.566 1.00 44.32 C ATOM 1050 CD GLU A 65 1.656 -14.255 -7.849 1.00 33.00 C ATOM 1051 OE1 GLU A 65 2.340 -14.286 -8.888 1.00 75.41 O ATOM 1052 OE2 GLU A 65 1.638 -15.196 -7.029 1.00 41.30 O ATOM 0 H GLU A 65 -1.793 -11.117 -7.069 1.00 10.31 H new ATOM 0 HA GLU A 65 -2.485 -13.464 -8.527 1.00 32.04 H new ATOM 0 HB2 GLU A 65 -0.318 -13.596 -9.267 1.00 55.00 H new ATOM 0 HB3 GLU A 65 -0.445 -11.894 -8.867 1.00 55.00 H new ATOM 0 HG2 GLU A 65 1.440 -12.124 -7.715 1.00 44.32 H new ATOM 0 HG3 GLU A 65 0.518 -13.013 -6.519 1.00 44.32 H new ATOM 1059 N LYS A 66 -1.606 -14.115 -5.412 1.00 34.22 N ATOM 1060 CA LYS A 66 -1.879 -15.243 -4.457 1.00 62.43 C ATOM 1061 C LYS A 66 -3.228 -15.160 -3.650 1.00 10.54 C ATOM 1062 O LYS A 66 -3.379 -15.894 -2.678 1.00 11.13 O ATOM 1063 CB LYS A 66 -0.665 -15.561 -3.497 1.00 60.13 C ATOM 1064 CG LYS A 66 -0.158 -14.436 -2.542 1.00 74.52 C ATOM 1065 CD LYS A 66 0.821 -13.429 -3.182 1.00 52.31 C ATOM 1066 CE LYS A 66 1.918 -14.055 -4.069 1.00 54.43 C ATOM 1067 NZ LYS A 66 2.775 -15.021 -3.332 1.00 61.43 N ATOM 0 H LYS A 66 -1.354 -13.222 -4.988 1.00 34.22 H new ATOM 0 HA LYS A 66 -2.009 -16.086 -5.136 1.00 62.43 H new ATOM 0 HB2 LYS A 66 -0.943 -16.417 -2.883 1.00 60.13 H new ATOM 0 HB3 LYS A 66 0.175 -15.873 -4.117 1.00 60.13 H new ATOM 0 HG2 LYS A 66 -1.020 -13.889 -2.160 1.00 74.52 H new ATOM 0 HG3 LYS A 66 0.330 -14.900 -1.685 1.00 74.52 H new ATOM 0 HD2 LYS A 66 0.249 -12.722 -3.783 1.00 52.31 H new ATOM 0 HD3 LYS A 66 1.300 -12.857 -2.388 1.00 52.31 H new ATOM 0 HE2 LYS A 66 1.451 -14.562 -4.913 1.00 54.43 H new ATOM 0 HE3 LYS A 66 2.543 -13.262 -4.480 1.00 54.43 H new ATOM 0 HZ1 LYS A 66 3.493 -15.410 -3.976 1.00 61.43 H new ATOM 0 HZ2 LYS A 66 3.245 -14.535 -2.542 1.00 61.43 H new ATOM 0 HZ3 LYS A 66 2.187 -15.795 -2.962 1.00 61.43 H new ATOM 1081 N ASP A 67 -4.201 -14.306 -4.037 1.00 14.20 N ATOM 1082 CA ASP A 67 -5.493 -14.208 -3.302 1.00 65.55 C ATOM 1083 C ASP A 67 -6.414 -15.351 -3.672 1.00 62.33 C ATOM 1084 O ASP A 67 -6.271 -15.926 -4.757 1.00 24.41 O ATOM 1085 CB ASP A 67 -6.204 -12.838 -3.261 1.00 73.13 C ATOM 1086 CG ASP A 67 -7.365 -12.666 -4.247 1.00 45.24 C ATOM 1087 OD1 ASP A 67 -7.117 -12.322 -5.421 1.00 52.41 O ATOM 1088 OD2 ASP A 67 -8.531 -12.871 -3.836 1.00 64.44 O ATOM 0 H ASP A 67 -4.125 -13.682 -4.840 1.00 14.20 H new ATOM 0 HA ASP A 67 -5.197 -14.306 -2.258 1.00 65.55 H new ATOM 0 HB2 ASP A 67 -6.581 -12.674 -2.251 1.00 73.13 H new ATOM 0 HB3 ASP A 67 -5.466 -12.060 -3.456 1.00 73.13 H new ATOM 1093 N GLY A 68 -7.379 -15.693 -2.820 1.00 73.30 N ATOM 1094 CA GLY A 68 -7.807 -17.055 -2.820 1.00 62.45 C ATOM 1095 C GLY A 68 -7.566 -17.766 -1.507 1.00 4.52 C ATOM 1096 O GLY A 68 -7.197 -18.943 -1.528 1.00 53.33 O ATOM 0 H GLY A 68 -7.847 -15.071 -2.161 1.00 73.30 H new ATOM 0 HA2 GLY A 68 -8.871 -17.093 -3.054 1.00 62.45 H new ATOM 0 HA3 GLY A 68 -7.287 -17.590 -3.614 1.00 62.45 H new ATOM 1100 N CYS A 69 -7.616 -17.006 -0.361 1.00 51.44 N ATOM 1101 CA CYS A 69 -7.552 -17.660 0.976 1.00 65.43 C ATOM 1102 C CYS A 69 -8.537 -18.819 1.066 1.00 1.11 C ATOM 1103 O CYS A 69 -9.724 -18.696 0.751 1.00 13.22 O ATOM 1104 CB CYS A 69 -7.881 -16.687 2.164 1.00 43.54 C ATOM 1105 SG CYS A 69 -8.210 -17.506 3.758 1.00 34.02 S ATOM 0 H CYS A 69 -7.697 -15.989 -0.342 1.00 51.44 H new ATOM 0 HA CYS A 69 -6.521 -18.002 1.070 1.00 65.43 H new ATOM 0 HB2 CYS A 69 -7.046 -15.998 2.292 1.00 43.54 H new ATOM 0 HB3 CYS A 69 -8.751 -16.088 1.894 1.00 43.54 H new ATOM 0 HG CYS A 69 -9.039 -16.785 4.453 1.00 34.02 H new ATOM 1111 N ASP A 70 -8.012 -19.939 1.571 1.00 72.40 N ATOM 1112 CA ASP A 70 -8.740 -21.202 1.539 1.00 71.24 C ATOM 1113 C ASP A 70 -8.803 -21.890 2.914 1.00 61.22 C ATOM 1114 O ASP A 70 -7.829 -21.858 3.691 1.00 12.50 O ATOM 1115 CB ASP A 70 -8.170 -22.164 0.487 1.00 23.15 C ATOM 1116 CG ASP A 70 -8.925 -22.130 -0.829 1.00 54.31 C ATOM 1117 OD1 ASP A 70 -10.122 -22.487 -0.838 1.00 35.14 O ATOM 1118 OD2 ASP A 70 -8.304 -21.805 -1.861 1.00 65.14 O ATOM 0 H ASP A 70 -7.090 -19.993 2.004 1.00 72.40 H new ATOM 0 HA ASP A 70 -9.761 -20.947 1.256 1.00 71.24 H new ATOM 0 HB2 ASP A 70 -7.125 -21.914 0.305 1.00 23.15 H new ATOM 0 HB3 ASP A 70 -8.191 -23.179 0.884 1.00 23.15 H new ATOM 1123 N PHE A 71 -9.946 -22.589 3.117 1.00 24.33 N ATOM 1124 CA PHE A 71 -10.534 -22.950 4.403 1.00 64.35 C ATOM 1125 C PHE A 71 -11.326 -24.242 4.218 1.00 10.12 C ATOM 1126 O PHE A 71 -11.844 -24.457 3.114 1.00 61.34 O ATOM 1127 CB PHE A 71 -11.427 -21.833 5.019 1.00 61.21 C ATOM 1128 CG PHE A 71 -12.011 -20.823 4.046 1.00 71.20 C ATOM 1129 CD1 PHE A 71 -12.888 -21.207 3.041 1.00 42.50 C ATOM 1130 CD2 PHE A 71 -11.689 -19.474 4.159 1.00 61.22 C ATOM 1131 CE1 PHE A 71 -13.421 -20.274 2.168 1.00 44.55 C ATOM 1132 CE2 PHE A 71 -12.218 -18.541 3.292 1.00 32.32 C ATOM 1133 CZ PHE A 71 -13.085 -18.940 2.295 1.00 74.22 C ATOM 0 H PHE A 71 -10.504 -22.929 2.334 1.00 24.33 H new ATOM 0 HA PHE A 71 -9.723 -23.089 5.117 1.00 64.35 H new ATOM 0 HB2 PHE A 71 -12.250 -22.309 5.553 1.00 61.21 H new ATOM 0 HB3 PHE A 71 -10.837 -21.293 5.759 1.00 61.21 H new ATOM 0 HD1 PHE A 71 -13.158 -22.248 2.939 1.00 42.50 H new ATOM 0 HD2 PHE A 71 -11.014 -19.152 4.938 1.00 61.22 H new ATOM 0 HE1 PHE A 71 -14.099 -20.589 1.388 1.00 44.55 H new ATOM 0 HE2 PHE A 71 -11.954 -17.499 3.393 1.00 32.32 H new ATOM 0 HZ PHE A 71 -13.500 -18.211 1.615 1.00 74.22 H new ATOM 1143 N GLU A 72 -11.344 -25.129 5.239 1.00 25.03 N ATOM 1144 CA GLU A 72 -12.202 -26.360 5.214 1.00 25.43 C ATOM 1145 C GLU A 72 -11.692 -27.420 4.195 1.00 74.51 C ATOM 1146 O GLU A 72 -12.366 -27.730 3.208 1.00 13.50 O ATOM 1147 CB GLU A 72 -13.704 -26.039 4.888 1.00 34.32 C ATOM 1148 CG GLU A 72 -14.527 -25.159 5.865 1.00 23.31 C ATOM 1149 CD GLU A 72 -15.133 -25.933 7.016 1.00 22.15 C ATOM 1150 OE1 GLU A 72 -14.474 -26.075 8.064 1.00 20.32 O ATOM 1151 OE2 GLU A 72 -16.286 -26.396 6.869 1.00 21.04 O ATOM 0 H GLU A 72 -10.785 -25.027 6.086 1.00 25.03 H new ATOM 0 HA GLU A 72 -12.134 -26.769 6.222 1.00 25.43 H new ATOM 0 HB2 GLU A 72 -13.730 -25.555 3.912 1.00 34.32 H new ATOM 0 HB3 GLU A 72 -14.227 -26.990 4.786 1.00 34.32 H new ATOM 0 HG2 GLU A 72 -13.883 -24.375 6.264 1.00 23.31 H new ATOM 0 HG3 GLU A 72 -15.325 -24.665 5.311 1.00 23.31 H new ATOM 1158 N GLY A 73 -10.471 -27.930 4.413 1.00 23.15 N ATOM 1159 CA GLY A 73 -9.938 -29.031 3.595 1.00 73.14 C ATOM 1160 C GLY A 73 -9.039 -28.649 2.422 1.00 73.33 C ATOM 1161 O GLY A 73 -8.350 -29.518 1.879 1.00 52.24 O ATOM 0 H GLY A 73 -9.838 -27.602 5.142 1.00 23.15 H new ATOM 0 HA2 GLY A 73 -9.377 -29.698 4.249 1.00 73.14 H new ATOM 0 HA3 GLY A 73 -10.780 -29.602 3.205 1.00 73.14 H new ATOM 1165 N ASN A 74 -9.027 -27.391 2.025 1.00 55.20 N ATOM 1166 CA ASN A 74 -7.904 -26.859 1.246 1.00 73.12 C ATOM 1167 C ASN A 74 -7.405 -25.691 2.050 1.00 74.43 C ATOM 1168 O ASN A 74 -8.192 -24.817 2.339 1.00 53.20 O ATOM 1169 CB ASN A 74 -8.298 -26.407 -0.190 1.00 44.21 C ATOM 1170 CG ASN A 74 -7.115 -25.862 -0.979 1.00 71.15 C ATOM 1171 OD1 ASN A 74 -5.981 -26.324 -0.831 1.00 63.33 O ATOM 1172 ND2 ASN A 74 -7.378 -24.879 -1.826 1.00 72.32 N ATOM 0 H ASN A 74 -9.768 -26.718 2.221 1.00 55.20 H new ATOM 0 HA ASN A 74 -7.151 -27.631 1.089 1.00 73.12 H new ATOM 0 HB2 ASN A 74 -8.730 -27.252 -0.727 1.00 44.21 H new ATOM 0 HB3 ASN A 74 -9.071 -25.641 -0.126 1.00 44.21 H new ATOM 0 HD21 ASN A 74 -6.628 -24.475 -2.387 1.00 72.32 H new ATOM 0 HD22 ASN A 74 -8.331 -24.526 -1.918 1.00 72.32 H new ATOM 1179 N LYS A 75 -6.160 -25.696 2.493 1.00 12.21 N ATOM 1180 CA LYS A 75 -5.720 -24.572 3.318 1.00 31.01 C ATOM 1181 C LYS A 75 -4.828 -23.626 2.531 1.00 23.02 C ATOM 1182 O LYS A 75 -3.862 -24.103 1.931 1.00 5.21 O ATOM 1183 CB LYS A 75 -5.081 -24.909 4.683 1.00 43.21 C ATOM 1184 CG LYS A 75 -4.493 -26.308 4.910 1.00 73.33 C ATOM 1185 CD LYS A 75 -5.384 -27.329 5.763 1.00 11.43 C ATOM 1186 CE LYS A 75 -6.486 -26.759 6.733 1.00 54.21 C ATOM 1187 NZ LYS A 75 -5.954 -25.779 7.719 1.00 73.42 N ATOM 0 H LYS A 75 -5.465 -26.420 2.312 1.00 12.21 H new ATOM 0 HA LYS A 75 -6.658 -24.084 3.584 1.00 31.01 H new ATOM 0 HB2 LYS A 75 -4.285 -24.186 4.860 1.00 43.21 H new ATOM 0 HB3 LYS A 75 -5.838 -24.743 5.449 1.00 43.21 H new ATOM 0 HG2 LYS A 75 -4.297 -26.758 3.937 1.00 73.33 H new ATOM 0 HG3 LYS A 75 -3.530 -26.196 5.409 1.00 73.33 H new ATOM 0 HD2 LYS A 75 -5.880 -27.999 5.060 1.00 11.43 H new ATOM 0 HD3 LYS A 75 -4.705 -27.938 6.359 1.00 11.43 H new ATOM 0 HE2 LYS A 75 -7.268 -26.281 6.142 1.00 54.21 H new ATOM 0 HE3 LYS A 75 -6.952 -27.586 7.269 1.00 54.21 H new ATOM 0 HZ1 LYS A 75 -6.229 -26.069 8.679 1.00 73.42 H new ATOM 0 HZ2 LYS A 75 -4.917 -25.746 7.651 1.00 73.42 H new ATOM 0 HZ3 LYS A 75 -6.344 -24.836 7.517 1.00 73.42 H new ATOM 1201 N LEU A 76 -5.088 -22.301 2.577 1.00 3.11 N ATOM 1202 CA LEU A 76 -4.271 -21.340 1.801 1.00 52.01 C ATOM 1203 C LEU A 76 -4.626 -19.888 2.189 1.00 33.42 C ATOM 1204 O LEU A 76 -5.191 -19.211 1.377 1.00 2.12 O ATOM 1205 CB LEU A 76 -4.472 -21.516 0.258 1.00 45.24 C ATOM 1206 CG LEU A 76 -3.240 -21.937 -0.531 1.00 32.21 C ATOM 1207 CD1 LEU A 76 -3.669 -22.781 -1.714 1.00 14.02 C ATOM 1208 CD2 LEU A 76 -2.452 -20.727 -1.022 1.00 34.31 C ATOM 0 H LEU A 76 -5.836 -21.880 3.127 1.00 3.11 H new ATOM 0 HA LEU A 76 -3.228 -21.545 2.042 1.00 52.01 H new ATOM 0 HB2 LEU A 76 -5.254 -22.258 0.096 1.00 45.24 H new ATOM 0 HB3 LEU A 76 -4.837 -20.574 -0.151 1.00 45.24 H new ATOM 0 HG LEU A 76 -2.591 -22.515 0.127 1.00 32.21 H new ATOM 0 HD11 LEU A 76 -2.790 -23.085 -2.282 1.00 14.02 H new ATOM 0 HD12 LEU A 76 -4.195 -23.667 -1.357 1.00 14.02 H new ATOM 0 HD13 LEU A 76 -4.332 -22.199 -2.355 1.00 14.02 H new ATOM 0 HD21 LEU A 76 -1.579 -21.064 -1.581 1.00 34.31 H new ATOM 0 HD22 LEU A 76 -3.085 -20.119 -1.668 1.00 34.31 H new ATOM 0 HD23 LEU A 76 -2.128 -20.133 -0.168 1.00 34.31 H new ATOM 1220 N ARG A 77 -4.284 -19.372 3.394 1.00 34.34 N ATOM 1221 CA ARG A 77 -4.771 -18.031 3.805 1.00 43.52 C ATOM 1222 C ARG A 77 -3.739 -16.907 3.432 1.00 34.13 C ATOM 1223 O ARG A 77 -2.610 -16.898 3.937 1.00 44.11 O ATOM 1224 CB ARG A 77 -5.100 -18.058 5.349 1.00 12.34 C ATOM 1225 CG ARG A 77 -4.836 -16.763 6.177 1.00 73.34 C ATOM 1226 CD ARG A 77 -5.671 -15.521 5.810 1.00 14.53 C ATOM 1227 NE ARG A 77 -7.079 -15.608 6.239 1.00 52.22 N ATOM 1228 CZ ARG A 77 -7.644 -14.835 7.179 1.00 22.13 C ATOM 1229 NH1 ARG A 77 -6.937 -13.910 7.840 1.00 3.22 N ATOM 1230 NH2 ARG A 77 -8.945 -14.976 7.444 1.00 43.22 N ATOM 0 H ARG A 77 -3.693 -19.844 4.079 1.00 34.34 H new ATOM 0 HA ARG A 77 -5.684 -17.790 3.260 1.00 43.52 H new ATOM 0 HB2 ARG A 77 -6.153 -18.317 5.462 1.00 12.34 H new ATOM 0 HB3 ARG A 77 -4.523 -18.866 5.799 1.00 12.34 H new ATOM 0 HG2 ARG A 77 -5.010 -16.991 7.229 1.00 73.34 H new ATOM 0 HG3 ARG A 77 -3.782 -16.505 6.077 1.00 73.34 H new ATOM 0 HD2 ARG A 77 -5.216 -14.641 6.263 1.00 14.53 H new ATOM 0 HD3 ARG A 77 -5.637 -15.377 4.730 1.00 14.53 H new ATOM 0 HE ARG A 77 -7.667 -16.308 5.787 1.00 52.22 H new ATOM 0 HH11 ARG A 77 -5.947 -13.781 7.633 1.00 3.22 H new ATOM 0 HH12 ARG A 77 -7.389 -13.334 8.550 1.00 3.22 H new ATOM 0 HH21 ARG A 77 -9.498 -15.665 6.934 1.00 43.22 H new ATOM 0 HH22 ARG A 77 -9.386 -14.394 8.156 1.00 43.22 H new ATOM 1244 N VAL A 78 -4.111 -15.968 2.520 1.00 54.11 N ATOM 1245 CA VAL A 78 -3.357 -14.703 2.389 1.00 63.43 C ATOM 1246 C VAL A 78 -4.341 -13.545 2.655 1.00 32.12 C ATOM 1247 O VAL A 78 -5.319 -13.411 1.917 1.00 64.03 O ATOM 1248 CB VAL A 78 -2.655 -14.492 0.983 1.00 5.35 C ATOM 1249 CG1 VAL A 78 -1.543 -13.491 1.168 1.00 21.43 C ATOM 1250 CG2 VAL A 78 -2.049 -15.767 0.408 1.00 51.43 C ATOM 0 H VAL A 78 -4.904 -16.062 1.885 1.00 54.11 H new ATOM 0 HA VAL A 78 -2.542 -14.735 3.112 1.00 63.43 H new ATOM 0 HB VAL A 78 -3.420 -14.154 0.284 1.00 5.35 H new ATOM 0 HG11 VAL A 78 -1.040 -13.325 0.215 1.00 21.43 H new ATOM 0 HG12 VAL A 78 -1.957 -12.549 1.528 1.00 21.43 H new ATOM 0 HG13 VAL A 78 -0.826 -13.874 1.894 1.00 21.43 H new ATOM 0 HG21 VAL A 78 -1.586 -15.548 -0.554 1.00 51.43 H new ATOM 0 HG22 VAL A 78 -1.295 -16.153 1.094 1.00 51.43 H new ATOM 0 HG23 VAL A 78 -2.832 -16.513 0.272 1.00 51.43 H new ATOM 1260 N GLU A 79 -4.147 -12.731 3.731 1.00 34.45 N ATOM 1261 CA GLU A 79 -4.997 -11.569 3.919 1.00 73.44 C ATOM 1262 C GLU A 79 -4.158 -10.349 4.279 1.00 72.13 C ATOM 1263 O GLU A 79 -3.170 -10.444 5.029 1.00 63.31 O ATOM 1264 CB GLU A 79 -6.070 -11.930 4.987 1.00 71.44 C ATOM 1265 CG GLU A 79 -6.982 -10.811 5.553 1.00 40.24 C ATOM 1266 CD GLU A 79 -7.762 -10.011 4.514 1.00 10.33 C ATOM 1267 OE1 GLU A 79 -7.744 -10.365 3.318 1.00 21.23 O ATOM 1268 OE2 GLU A 79 -8.426 -9.034 4.910 1.00 55.42 O ATOM 0 H GLU A 79 -3.432 -12.868 4.445 1.00 34.45 H new ATOM 0 HA GLU A 79 -5.515 -11.300 2.999 1.00 73.44 H new ATOM 0 HB2 GLU A 79 -6.717 -12.694 4.556 1.00 71.44 H new ATOM 0 HB3 GLU A 79 -5.553 -12.389 5.830 1.00 71.44 H new ATOM 0 HG2 GLU A 79 -7.692 -11.261 6.247 1.00 40.24 H new ATOM 0 HG3 GLU A 79 -6.366 -10.121 6.130 1.00 40.24 H new ATOM 1275 N VAL A 80 -4.510 -9.209 3.696 1.00 10.20 N ATOM 1276 CA VAL A 80 -3.912 -7.970 4.118 1.00 71.51 C ATOM 1277 C VAL A 80 -4.737 -7.328 5.242 1.00 15.42 C ATOM 1278 O VAL A 80 -5.927 -7.065 5.093 1.00 44.22 O ATOM 1279 CB VAL A 80 -3.710 -6.983 2.935 1.00 52.11 C ATOM 1280 CG1 VAL A 80 -2.607 -7.487 2.023 1.00 42.55 C ATOM 1281 CG2 VAL A 80 -4.980 -6.777 2.118 1.00 33.22 C ATOM 0 H VAL A 80 -5.195 -9.127 2.944 1.00 10.20 H new ATOM 0 HA VAL A 80 -2.920 -8.202 4.506 1.00 71.51 H new ATOM 0 HB VAL A 80 -3.437 -6.021 3.369 1.00 52.11 H new ATOM 0 HG11 VAL A 80 -2.471 -6.790 1.196 1.00 42.55 H new ATOM 0 HG12 VAL A 80 -1.677 -7.567 2.586 1.00 42.55 H new ATOM 0 HG13 VAL A 80 -2.879 -8.467 1.630 1.00 42.55 H new ATOM 0 HG21 VAL A 80 -4.781 -6.078 1.305 1.00 33.22 H new ATOM 0 HG22 VAL A 80 -5.305 -7.732 1.704 1.00 33.22 H new ATOM 0 HG23 VAL A 80 -5.764 -6.373 2.759 1.00 33.22 H new ATOM 1291 N PRO A 81 -4.115 -7.077 6.406 1.00 0.31 N ATOM 1292 CA PRO A 81 -4.722 -6.246 7.441 1.00 24.44 C ATOM 1293 C PRO A 81 -4.382 -4.757 7.303 1.00 61.12 C ATOM 1294 O PRO A 81 -4.460 -4.010 8.278 1.00 72.23 O ATOM 1295 CB PRO A 81 -4.132 -6.837 8.722 1.00 14.40 C ATOM 1296 CG PRO A 81 -2.796 -7.371 8.334 1.00 74.10 C ATOM 1297 CD PRO A 81 -2.857 -7.693 6.864 1.00 3.42 C ATOM 0 HA PRO A 81 -5.811 -6.262 7.400 1.00 24.44 H new ATOM 0 HB2 PRO A 81 -4.041 -6.078 9.499 1.00 14.40 H new ATOM 0 HB3 PRO A 81 -4.770 -7.626 9.120 1.00 14.40 H new ATOM 0 HG2 PRO A 81 -2.015 -6.638 8.536 1.00 74.10 H new ATOM 0 HG3 PRO A 81 -2.554 -8.262 8.914 1.00 74.10 H new ATOM 0 HD2 PRO A 81 -1.998 -7.285 6.332 1.00 3.42 H new ATOM 0 HD3 PRO A 81 -2.856 -8.769 6.693 1.00 3.42 H new ATOM 1305 N PHE A 82 -4.015 -4.321 6.092 1.00 43.12 N ATOM 1306 CA PHE A 82 -3.775 -2.898 5.870 1.00 11.43 C ATOM 1307 C PHE A 82 -4.799 -2.276 4.929 1.00 70.34 C ATOM 1308 O PHE A 82 -4.919 -1.046 4.906 1.00 60.15 O ATOM 1309 CB PHE A 82 -2.315 -2.556 5.405 1.00 11.22 C ATOM 1310 CG PHE A 82 -1.733 -3.245 4.165 1.00 64.40 C ATOM 1311 CD1 PHE A 82 -2.354 -3.225 2.926 1.00 1.24 C ATOM 1312 CD2 PHE A 82 -0.495 -3.843 4.244 1.00 3.44 C ATOM 1313 CE1 PHE A 82 -1.756 -3.782 1.821 1.00 63.41 C ATOM 1314 CE2 PHE A 82 0.112 -4.407 3.159 1.00 4.05 C ATOM 1315 CZ PHE A 82 -0.519 -4.380 1.938 1.00 4.54 C ATOM 0 H PHE A 82 -3.882 -4.916 5.275 1.00 43.12 H new ATOM 0 HA PHE A 82 -3.896 -2.447 6.855 1.00 11.43 H new ATOM 0 HB2 PHE A 82 -2.272 -1.481 5.231 1.00 11.22 H new ATOM 0 HB3 PHE A 82 -1.648 -2.771 6.240 1.00 11.22 H new ATOM 0 HD1 PHE A 82 -3.325 -2.763 2.827 1.00 1.24 H new ATOM 0 HD2 PHE A 82 0.013 -3.867 5.197 1.00 3.44 H new ATOM 0 HE1 PHE A 82 -2.254 -3.751 0.863 1.00 63.41 H new ATOM 0 HE2 PHE A 82 1.082 -4.871 3.259 1.00 4.05 H new ATOM 0 HZ PHE A 82 -0.048 -4.825 1.074 1.00 4.54 H new ATOM 1325 N ASN A 83 -5.527 -3.144 4.177 1.00 43.10 N ATOM 1326 CA ASN A 83 -6.438 -2.744 3.068 1.00 42.14 C ATOM 1327 C ASN A 83 -5.617 -2.243 1.853 1.00 53.35 C ATOM 1328 O ASN A 83 -4.800 -1.338 2.011 1.00 70.12 O ATOM 1329 CB ASN A 83 -7.509 -1.706 3.511 1.00 70.30 C ATOM 1330 CG ASN A 83 -8.844 -2.362 3.785 1.00 21.03 C ATOM 1331 OD1 ASN A 83 -9.109 -2.819 4.898 1.00 71.42 O ATOM 1332 ND2 ASN A 83 -9.689 -2.417 2.770 1.00 3.12 N ATOM 0 H ASN A 83 -5.498 -4.153 4.325 1.00 43.10 H new ATOM 0 HA ASN A 83 -6.995 -3.631 2.767 1.00 42.14 H new ATOM 0 HB2 ASN A 83 -7.166 -1.190 4.408 1.00 70.30 H new ATOM 0 HB3 ASN A 83 -7.627 -0.951 2.734 1.00 70.30 H new ATOM 0 HD21 ASN A 83 -10.604 -2.851 2.891 1.00 3.12 H new ATOM 0 HD22 ASN A 83 -9.426 -2.025 1.866 1.00 3.12 H new ATOM 1339 N ALA A 84 -5.791 -2.834 0.635 1.00 75.22 N ATOM 1340 CA ALA A 84 -4.936 -2.500 -0.525 1.00 33.14 C ATOM 1341 C ALA A 84 -5.333 -1.163 -1.211 1.00 12.15 C ATOM 1342 O ALA A 84 -5.687 -1.151 -2.393 1.00 35.52 O ATOM 1343 CB ALA A 84 -4.916 -3.668 -1.533 1.00 5.04 C ATOM 0 H ALA A 84 -6.507 -3.533 0.441 1.00 75.22 H new ATOM 0 HA ALA A 84 -3.926 -2.349 -0.143 1.00 33.14 H new ATOM 0 HB1 ALA A 84 -4.283 -3.406 -2.381 1.00 5.04 H new ATOM 0 HB2 ALA A 84 -4.522 -4.561 -1.048 1.00 5.04 H new ATOM 0 HB3 ALA A 84 -5.929 -3.863 -1.884 1.00 5.04 H new ATOM 1349 N ARG A 85 -5.274 -0.045 -0.428 1.00 25.11 N ATOM 1350 CA ARG A 85 -5.568 1.340 -0.873 1.00 4.22 C ATOM 1351 C ARG A 85 -7.052 1.476 -1.258 1.00 52.55 C ATOM 1352 O ARG A 85 -7.383 2.142 -2.242 1.00 30.41 O ATOM 1353 CB ARG A 85 -4.650 1.789 -2.047 1.00 1.12 C ATOM 1354 CG ARG A 85 -4.098 3.233 -1.987 1.00 62.33 C ATOM 1355 CD ARG A 85 -5.171 4.309 -1.872 1.00 24.43 C ATOM 1356 NE ARG A 85 -4.645 5.626 -2.253 1.00 61.24 N ATOM 1357 CZ ARG A 85 -4.911 6.239 -3.419 1.00 53.03 C ATOM 1358 NH1 ARG A 85 -5.708 5.665 -4.332 1.00 22.31 N ATOM 1359 NH2 ARG A 85 -4.352 7.415 -3.686 1.00 42.15 N ATOM 0 H ARG A 85 -5.013 -0.091 0.557 1.00 25.11 H new ATOM 0 HA ARG A 85 -5.358 2.003 -0.034 1.00 4.22 H new ATOM 0 HB2 ARG A 85 -3.804 1.104 -2.098 1.00 1.12 H new ATOM 0 HB3 ARG A 85 -5.208 1.677 -2.977 1.00 1.12 H new ATOM 0 HG2 ARG A 85 -3.423 3.317 -1.135 1.00 62.33 H new ATOM 0 HG3 ARG A 85 -3.506 3.421 -2.883 1.00 62.33 H new ATOM 0 HD2 ARG A 85 -6.016 4.053 -2.511 1.00 24.43 H new ATOM 0 HD3 ARG A 85 -5.545 4.346 -0.849 1.00 24.43 H new ATOM 0 HE ARG A 85 -4.038 6.107 -1.589 1.00 61.24 H new ATOM 0 HH11 ARG A 85 -6.121 4.751 -4.146 1.00 22.31 H new ATOM 0 HH12 ARG A 85 -5.901 6.142 -5.213 1.00 22.31 H new ATOM 0 HH21 ARG A 85 -3.725 7.847 -3.008 1.00 42.15 H new ATOM 0 HH22 ARG A 85 -4.550 7.885 -4.569 1.00 42.15 H new ATOM 1373 N GLU A 86 -7.928 0.817 -0.469 1.00 63.41 N ATOM 1374 CA GLU A 86 -9.388 0.975 -0.547 1.00 20.03 C ATOM 1375 C GLU A 86 -9.960 0.633 -1.949 1.00 55.03 C ATOM 1376 O GLU A 86 -10.025 -0.569 -2.281 1.00 65.53 O ATOM 1377 CB GLU A 86 -9.794 2.406 -0.111 1.00 43.03 C ATOM 1378 CG GLU A 86 -9.603 2.720 1.383 1.00 41.31 C ATOM 1379 CD GLU A 86 -10.511 1.894 2.278 1.00 22.05 C ATOM 1380 OE1 GLU A 86 -11.663 2.318 2.511 1.00 40.24 O ATOM 1381 OE2 GLU A 86 -10.066 0.827 2.746 1.00 11.54 O ATOM 1382 OXT GLU A 86 -10.336 1.569 -2.699 1.00 37.30 O ATOM 0 H GLU A 86 -7.633 0.153 0.247 1.00 63.41 H new ATOM 0 HA GLU A 86 -9.827 0.254 0.142 1.00 20.03 H new ATOM 0 HB2 GLU A 86 -9.214 3.123 -0.692 1.00 43.03 H new ATOM 0 HB3 GLU A 86 -10.842 2.562 -0.366 1.00 43.03 H new ATOM 0 HG2 GLU A 86 -8.564 2.537 1.658 1.00 41.31 H new ATOM 0 HG3 GLU A 86 -9.796 3.779 1.555 1.00 41.31 H new TER 1389 GLU A 86