USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 1.37 K(o=2.7,f=-2.7) USER MOD Set 1.2: A 91 THR OG1 : rot -108:sc= 1.29 USER MOD Set 2.1: A 46 ASN : amide:sc= -2.96! K(o=-2.5!,f=-1.5) USER MOD Set 2.2: A 78 SER OG : rot -147:sc= 0.429 USER MOD Set 3.1: A 44 HIS : no HD1:sc= 0.681 K(o=-2.1,f=-6.4!) USER MOD Set 3.2: A 84 ASN : amide:sc= -2.79 K(o=-2.1,f=-0.84) USER MOD Set 4.1: A 14 GLN : amide:sc= -0.383 K(o=-1.6,f=-3.6) USER MOD Set 4.2: A 16 HIS : no HE2:sc= -1.19 K(o=-1.6,f=-2.4) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.069 (180deg=-0.348) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.0936) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0703 X(o=-0.07,f=-0.34) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00085) USER MOD Single : A 7 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.76) USER MOD Single : A 8 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=-0.0044) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 165:sc= -0.0718 (180deg=-0.447) USER MOD Single : A 18 THR OG1 : rot -11:sc= -0.445 USER MOD Single : A 27 GLN : amide:sc= -0.411 K(o=-0.41,f=-3!) USER MOD Single : A 33 HIS : no HD1:sc= 0.0827 K(o=0.083,f=-1.4) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 56 ASN : amide:sc= -1.28 K(o=-1.3,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -142:sc= 0.363 (180deg=0.0173) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= 0.381 (180deg=0.264) USER MOD Single : A 72 LYS NZ :NH3+ -126:sc= 0.0682 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 130:sc= -1.12 USER MOD Single : A 90 GLN : amide:sc= -0.756 K(o=-0.76,f=-0.14) USER MOD Single : A 93 THR OG1 : rot 36:sc= 0.385 USER MOD Single : A 95 ASN : amide:sc= -0.0498 X(o=-0.05,f=-0.017) USER MOD Single : A 97 LYS NZ :NH3+ -138:sc= 1.05 (180deg=0.138) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.182 -9.962 -29.526 1.00 61.01 N ATOM 2 CA MET A 1 2.234 -11.226 -30.305 1.00 74.23 C ATOM 3 C MET A 1 2.480 -12.426 -29.366 1.00 40.01 C ATOM 4 O MET A 1 1.893 -13.500 -29.551 1.00 13.43 O ATOM 5 CB MET A 1 3.336 -11.144 -31.399 1.00 24.40 C ATOM 6 CG MET A 1 3.386 -12.343 -32.362 1.00 64.44 C ATOM 7 SD MET A 1 4.753 -12.254 -33.552 1.00 10.23 S ATOM 8 CE MET A 1 4.412 -10.712 -34.408 1.00 44.44 C ATOM 0 H1 MET A 1 1.850 -9.190 -30.139 1.00 61.01 H new ATOM 0 H2 MET A 1 1.528 -10.074 -28.725 1.00 61.01 H new ATOM 0 H3 MET A 1 3.132 -9.736 -29.168 1.00 61.01 H new ATOM 0 HA MET A 1 1.274 -11.371 -30.800 1.00 74.23 H new ATOM 0 HB2 MET A 1 3.182 -10.236 -31.981 1.00 24.40 H new ATOM 0 HB3 MET A 1 4.306 -11.049 -30.910 1.00 24.40 H new ATOM 0 HG2 MET A 1 3.478 -13.262 -31.782 1.00 64.44 H new ATOM 0 HG3 MET A 1 2.443 -12.402 -32.906 1.00 64.44 H new ATOM 0 HE1 MET A 1 5.015 -10.658 -35.314 1.00 44.44 H new ATOM 0 HE2 MET A 1 3.355 -10.668 -34.672 1.00 44.44 H new ATOM 0 HE3 MET A 1 4.658 -9.873 -33.758 1.00 44.44 H new ATOM 20 N GLY A 2 3.347 -12.225 -28.354 1.00 10.24 N ATOM 21 CA GLY A 2 3.681 -13.272 -27.390 1.00 34.10 C ATOM 22 C GLY A 2 4.550 -12.750 -26.254 1.00 12.11 C ATOM 23 O GLY A 2 5.765 -12.586 -26.422 1.00 13.42 O ATOM 0 H GLY A 2 3.827 -11.340 -28.189 1.00 10.24 H new ATOM 0 HA2 GLY A 2 2.763 -13.692 -26.980 1.00 34.10 H new ATOM 0 HA3 GLY A 2 4.202 -14.082 -27.901 1.00 34.10 H new ATOM 27 N HIS A 3 3.921 -12.431 -25.112 1.00 21.40 N ATOM 28 CA HIS A 3 4.625 -12.110 -23.862 1.00 52.25 C ATOM 29 C HIS A 3 4.673 -13.366 -22.980 1.00 14.12 C ATOM 30 O HIS A 3 3.673 -13.756 -22.377 1.00 33.14 O ATOM 31 CB HIS A 3 3.940 -10.935 -23.117 1.00 51.12 C ATOM 32 CG HIS A 3 4.269 -9.582 -23.678 1.00 51.11 C ATOM 33 ND1 HIS A 3 3.457 -8.901 -24.557 1.00 65.20 N ATOM 34 CD2 HIS A 3 5.342 -8.784 -23.476 1.00 13.33 C ATOM 35 CE1 HIS A 3 4.014 -7.752 -24.869 1.00 70.32 C ATOM 36 NE2 HIS A 3 5.157 -7.657 -24.229 1.00 42.12 N ATOM 0 H HIS A 3 2.905 -12.388 -25.030 1.00 21.40 H new ATOM 0 HA HIS A 3 5.641 -11.792 -24.096 1.00 52.25 H new ATOM 0 HB2 HIS A 3 2.860 -11.078 -23.150 1.00 51.12 H new ATOM 0 HB3 HIS A 3 4.234 -10.963 -22.068 1.00 51.12 H new ATOM 0 HD2 HIS A 3 6.188 -8.997 -22.839 1.00 13.33 H new ATOM 0 HE1 HIS A 3 3.602 -7.011 -25.538 1.00 70.32 H new ATOM 0 HE2 HIS A 3 5.803 -6.869 -24.285 1.00 42.12 H new ATOM 45 N HIS A 4 5.839 -14.007 -22.969 1.00 51.32 N ATOM 46 CA HIS A 4 6.124 -15.192 -22.157 1.00 34.45 C ATOM 47 C HIS A 4 7.643 -15.272 -21.995 1.00 33.24 C ATOM 48 O HIS A 4 8.362 -15.302 -23.004 1.00 71.22 O ATOM 49 CB HIS A 4 5.565 -16.474 -22.829 1.00 70.40 C ATOM 50 CG HIS A 4 5.868 -17.741 -22.078 1.00 3.13 C ATOM 51 ND1 HIS A 4 6.638 -18.757 -22.599 1.00 15.11 N ATOM 52 CD2 HIS A 4 5.497 -18.158 -20.843 1.00 11.00 C ATOM 53 CE1 HIS A 4 6.730 -19.732 -21.724 1.00 73.04 C ATOM 54 NE2 HIS A 4 6.054 -19.392 -20.652 1.00 61.03 N ATOM 0 H HIS A 4 6.633 -13.711 -23.538 1.00 51.32 H new ATOM 0 HA HIS A 4 5.640 -15.115 -21.183 1.00 34.45 H new ATOM 0 HB2 HIS A 4 4.484 -16.375 -22.933 1.00 70.40 H new ATOM 0 HB3 HIS A 4 5.976 -16.553 -23.835 1.00 70.40 H new ATOM 0 HD2 HIS A 4 4.878 -17.618 -20.142 1.00 11.00 H new ATOM 0 HE1 HIS A 4 7.270 -20.657 -21.863 1.00 73.04 H new ATOM 0 HE2 HIS A 4 5.959 -19.959 -19.809 1.00 61.03 H new ATOM 63 N HIS A 5 8.119 -15.281 -20.731 1.00 3.30 N ATOM 64 CA HIS A 5 9.554 -15.228 -20.414 1.00 21.42 C ATOM 65 C HIS A 5 10.254 -16.507 -20.903 1.00 12.35 C ATOM 66 O HIS A 5 10.155 -17.565 -20.267 1.00 63.14 O ATOM 67 CB HIS A 5 9.779 -15.013 -18.892 1.00 72.04 C ATOM 68 CG HIS A 5 11.165 -14.537 -18.524 1.00 31.21 C ATOM 69 ND1 HIS A 5 11.740 -14.739 -17.281 1.00 40.03 N ATOM 70 CD2 HIS A 5 12.049 -13.781 -19.217 1.00 51.13 C ATOM 71 CE1 HIS A 5 12.906 -14.125 -17.235 1.00 54.42 C ATOM 72 NE2 HIS A 5 13.113 -13.543 -18.395 1.00 63.34 N ATOM 0 H HIS A 5 7.518 -15.325 -19.908 1.00 3.30 H new ATOM 0 HA HIS A 5 9.993 -14.377 -20.935 1.00 21.42 H new ATOM 0 HB2 HIS A 5 9.051 -14.287 -18.529 1.00 72.04 H new ATOM 0 HB3 HIS A 5 9.581 -15.950 -18.372 1.00 72.04 H new ATOM 0 HD2 HIS A 5 11.934 -13.431 -20.232 1.00 51.13 H new ATOM 0 HE1 HIS A 5 13.576 -14.104 -16.389 1.00 54.42 H new ATOM 0 HE2 HIS A 5 13.939 -12.999 -18.643 1.00 63.34 H new ATOM 81 N HIS A 6 10.919 -16.388 -22.064 1.00 60.34 N ATOM 82 CA HIS A 6 11.629 -17.493 -22.717 1.00 4.43 C ATOM 83 C HIS A 6 12.937 -17.791 -21.977 1.00 35.12 C ATOM 84 O HIS A 6 13.189 -18.928 -21.570 1.00 32.22 O ATOM 85 CB HIS A 6 11.909 -17.138 -24.199 1.00 21.50 C ATOM 86 CG HIS A 6 12.610 -18.229 -24.970 1.00 34.11 C ATOM 87 ND1 HIS A 6 13.960 -18.214 -25.245 1.00 2.44 N ATOM 88 CD2 HIS A 6 12.136 -19.376 -25.511 1.00 30.34 C ATOM 89 CE1 HIS A 6 14.285 -19.305 -25.907 1.00 13.34 C ATOM 90 NE2 HIS A 6 13.198 -20.027 -26.082 1.00 10.14 N ATOM 0 H HIS A 6 10.978 -15.510 -22.579 1.00 60.34 H new ATOM 0 HA HIS A 6 11.005 -18.386 -22.685 1.00 4.43 H new ATOM 0 HB2 HIS A 6 10.964 -16.909 -24.692 1.00 21.50 H new ATOM 0 HB3 HIS A 6 12.516 -16.233 -24.237 1.00 21.50 H new ATOM 0 HD2 HIS A 6 11.111 -19.715 -25.495 1.00 30.34 H new ATOM 0 HE1 HIS A 6 15.276 -19.564 -26.249 1.00 13.34 H new ATOM 0 HE2 HIS A 6 13.154 -20.925 -26.564 1.00 10.14 H new ATOM 99 N HIS A 7 13.761 -16.747 -21.810 1.00 50.14 N ATOM 100 CA HIS A 7 15.066 -16.856 -21.151 1.00 53.02 C ATOM 101 C HIS A 7 14.858 -16.927 -19.632 1.00 23.21 C ATOM 102 O HIS A 7 14.761 -15.894 -18.963 1.00 70.15 O ATOM 103 CB HIS A 7 15.967 -15.651 -21.553 1.00 51.44 C ATOM 104 CG HIS A 7 17.407 -15.751 -21.111 1.00 31.40 C ATOM 105 ND1 HIS A 7 18.403 -16.270 -21.909 1.00 30.44 N ATOM 106 CD2 HIS A 7 18.021 -15.361 -19.966 1.00 63.41 C ATOM 107 CE1 HIS A 7 19.555 -16.201 -21.274 1.00 40.50 C ATOM 108 NE2 HIS A 7 19.350 -15.658 -20.095 1.00 55.44 N ATOM 0 H HIS A 7 13.540 -15.804 -22.129 1.00 50.14 H new ATOM 0 HA HIS A 7 15.573 -17.766 -21.471 1.00 53.02 H new ATOM 0 HB2 HIS A 7 15.943 -15.546 -22.638 1.00 51.44 H new ATOM 0 HB3 HIS A 7 15.537 -14.741 -21.135 1.00 51.44 H new ATOM 0 HD2 HIS A 7 17.548 -14.901 -19.111 1.00 63.41 H new ATOM 0 HE1 HIS A 7 20.508 -16.535 -21.658 1.00 40.50 H new ATOM 0 HE2 HIS A 7 20.066 -15.486 -19.390 1.00 55.44 H new ATOM 117 N HIS A 8 14.720 -18.155 -19.111 1.00 62.10 N ATOM 118 CA HIS A 8 14.576 -18.415 -17.668 1.00 44.34 C ATOM 119 C HIS A 8 15.894 -18.095 -16.939 1.00 0.10 C ATOM 120 O HIS A 8 16.770 -18.961 -16.782 1.00 75.02 O ATOM 121 CB HIS A 8 14.129 -19.884 -17.418 1.00 75.04 C ATOM 122 CG HIS A 8 12.675 -20.148 -17.711 1.00 1.05 C ATOM 123 ND1 HIS A 8 11.903 -21.004 -16.952 1.00 1.21 N ATOM 124 CD2 HIS A 8 11.856 -19.678 -18.682 1.00 1.54 C ATOM 125 CE1 HIS A 8 10.683 -21.047 -17.443 1.00 63.11 C ATOM 126 NE2 HIS A 8 10.632 -20.252 -18.492 1.00 63.14 N ATOM 0 H HIS A 8 14.705 -19.001 -19.680 1.00 62.10 H new ATOM 0 HA HIS A 8 13.800 -17.763 -17.266 1.00 44.34 H new ATOM 0 HB2 HIS A 8 14.738 -20.546 -18.034 1.00 75.04 H new ATOM 0 HB3 HIS A 8 14.330 -20.141 -16.378 1.00 75.04 H new ATOM 0 HD2 HIS A 8 12.122 -18.979 -19.461 1.00 1.54 H new ATOM 0 HE1 HIS A 8 9.864 -21.633 -17.053 1.00 63.11 H new ATOM 0 HE2 HIS A 8 9.808 -20.091 -19.071 1.00 63.14 H new ATOM 135 N GLU A 9 16.044 -16.820 -16.555 1.00 64.53 N ATOM 136 CA GLU A 9 17.251 -16.308 -15.913 1.00 1.14 C ATOM 137 C GLU A 9 17.193 -16.609 -14.409 1.00 23.02 C ATOM 138 O GLU A 9 16.614 -15.841 -13.628 1.00 10.32 O ATOM 139 CB GLU A 9 17.394 -14.785 -16.180 1.00 3.11 C ATOM 140 CG GLU A 9 18.738 -14.164 -15.745 1.00 40.24 C ATOM 141 CD GLU A 9 19.938 -14.732 -16.527 1.00 42.22 C ATOM 142 OE1 GLU A 9 20.591 -15.682 -16.047 1.00 2.24 O ATOM 143 OE2 GLU A 9 20.222 -14.246 -17.641 1.00 71.11 O ATOM 0 H GLU A 9 15.321 -16.112 -16.685 1.00 64.53 H new ATOM 0 HA GLU A 9 18.129 -16.801 -16.331 1.00 1.14 H new ATOM 0 HB2 GLU A 9 17.257 -14.605 -17.246 1.00 3.11 H new ATOM 0 HB3 GLU A 9 16.588 -14.265 -15.663 1.00 3.11 H new ATOM 0 HG2 GLU A 9 18.697 -13.084 -15.886 1.00 40.24 H new ATOM 0 HG3 GLU A 9 18.887 -14.341 -14.680 1.00 40.24 H new ATOM 150 N ASN A 10 17.735 -17.774 -14.025 1.00 72.31 N ATOM 151 CA ASN A 10 17.830 -18.192 -12.621 1.00 13.13 C ATOM 152 C ASN A 10 18.988 -17.436 -11.940 1.00 62.43 C ATOM 153 O ASN A 10 20.113 -17.930 -11.859 1.00 64.23 O ATOM 154 CB ASN A 10 17.989 -19.737 -12.533 1.00 64.03 C ATOM 155 CG ASN A 10 18.191 -20.265 -11.103 1.00 21.00 C ATOM 156 OD1 ASN A 10 19.319 -20.518 -10.668 1.00 24.21 O ATOM 157 ND2 ASN A 10 17.117 -20.391 -10.344 1.00 33.30 N ATOM 0 H ASN A 10 18.120 -18.453 -14.681 1.00 72.31 H new ATOM 0 HA ASN A 10 16.913 -17.939 -12.089 1.00 13.13 H new ATOM 0 HB2 ASN A 10 17.104 -20.208 -12.961 1.00 64.03 H new ATOM 0 HB3 ASN A 10 18.839 -20.040 -13.144 1.00 64.03 H new ATOM 0 HD21 ASN A 10 17.209 -20.703 -9.377 1.00 33.30 H new ATOM 0 HD22 ASN A 10 16.195 -20.176 -10.725 1.00 33.30 H new ATOM 164 N LEU A 11 18.712 -16.179 -11.558 1.00 41.24 N ATOM 165 CA LEU A 11 19.649 -15.324 -10.812 1.00 44.14 C ATOM 166 C LEU A 11 18.915 -14.706 -9.617 1.00 63.52 C ATOM 167 O LEU A 11 18.307 -13.631 -9.718 1.00 5.32 O ATOM 168 CB LEU A 11 20.286 -14.220 -11.717 1.00 10.42 C ATOM 169 CG LEU A 11 21.314 -14.691 -12.797 1.00 74.51 C ATOM 170 CD1 LEU A 11 21.912 -13.487 -13.556 1.00 44.34 C ATOM 171 CD2 LEU A 11 22.426 -15.569 -12.180 1.00 45.53 C ATOM 0 H LEU A 11 17.822 -15.723 -11.761 1.00 41.24 H new ATOM 0 HA LEU A 11 20.474 -15.940 -10.455 1.00 44.14 H new ATOM 0 HB2 LEU A 11 19.479 -13.692 -12.225 1.00 10.42 H new ATOM 0 HB3 LEU A 11 20.782 -13.497 -11.070 1.00 10.42 H new ATOM 0 HG LEU A 11 20.774 -15.307 -13.516 1.00 74.51 H new ATOM 0 HD11 LEU A 11 22.624 -13.843 -14.301 1.00 44.34 H new ATOM 0 HD12 LEU A 11 21.113 -12.936 -14.052 1.00 44.34 H new ATOM 0 HD13 LEU A 11 22.422 -12.830 -12.852 1.00 44.34 H new ATOM 0 HD21 LEU A 11 23.121 -15.877 -12.961 1.00 45.53 H new ATOM 0 HD22 LEU A 11 22.962 -14.998 -11.422 1.00 45.53 H new ATOM 0 HD23 LEU A 11 21.980 -16.452 -11.722 1.00 45.53 H new ATOM 183 N TYR A 12 18.945 -15.430 -8.494 1.00 34.12 N ATOM 184 CA TYR A 12 18.395 -14.976 -7.207 1.00 15.15 C ATOM 185 C TYR A 12 19.534 -14.520 -6.291 1.00 22.20 C ATOM 186 O TYR A 12 19.376 -14.452 -5.068 1.00 62.32 O ATOM 187 CB TYR A 12 17.535 -16.104 -6.577 1.00 13.21 C ATOM 188 CG TYR A 12 16.293 -16.433 -7.414 1.00 3.11 C ATOM 189 CD1 TYR A 12 15.147 -15.634 -7.336 1.00 72.24 C ATOM 190 CD2 TYR A 12 16.272 -17.516 -8.304 1.00 51.21 C ATOM 191 CE1 TYR A 12 14.033 -15.899 -8.110 1.00 20.14 C ATOM 192 CE2 TYR A 12 15.154 -17.785 -9.076 1.00 61.30 C ATOM 193 CZ TYR A 12 14.040 -16.977 -8.973 1.00 62.14 C ATOM 194 OH TYR A 12 12.925 -17.241 -9.747 1.00 0.45 O ATOM 0 H TYR A 12 19.357 -16.362 -8.450 1.00 34.12 H new ATOM 0 HA TYR A 12 17.740 -14.118 -7.358 1.00 15.15 H new ATOM 0 HB2 TYR A 12 18.143 -17.002 -6.467 1.00 13.21 H new ATOM 0 HB3 TYR A 12 17.225 -15.804 -5.576 1.00 13.21 H new ATOM 0 HD1 TYR A 12 15.133 -14.794 -6.658 1.00 72.24 H new ATOM 0 HD2 TYR A 12 17.142 -18.151 -8.389 1.00 51.21 H new ATOM 0 HE1 TYR A 12 13.161 -15.266 -8.040 1.00 20.14 H new ATOM 0 HE2 TYR A 12 15.154 -18.624 -9.756 1.00 61.30 H new ATOM 0 HH TYR A 12 13.091 -18.032 -10.301 1.00 0.45 H new ATOM 204 N PHE A 13 20.676 -14.155 -6.916 1.00 24.34 N ATOM 205 CA PHE A 13 21.821 -13.524 -6.250 1.00 13.40 C ATOM 206 C PHE A 13 21.508 -12.027 -6.042 1.00 11.50 C ATOM 207 O PHE A 13 22.103 -11.146 -6.671 1.00 73.42 O ATOM 208 CB PHE A 13 23.100 -13.720 -7.111 1.00 33.20 C ATOM 209 CG PHE A 13 23.492 -15.180 -7.322 1.00 75.33 C ATOM 210 CD1 PHE A 13 22.941 -15.932 -8.367 1.00 13.31 C ATOM 211 CD2 PHE A 13 24.403 -15.809 -6.472 1.00 61.13 C ATOM 212 CE1 PHE A 13 23.294 -17.255 -8.550 1.00 12.21 C ATOM 213 CE2 PHE A 13 24.753 -17.133 -6.660 1.00 60.30 C ATOM 214 CZ PHE A 13 24.197 -17.856 -7.697 1.00 15.54 C ATOM 0 H PHE A 13 20.823 -14.296 -7.915 1.00 24.34 H new ATOM 0 HA PHE A 13 21.999 -13.984 -5.278 1.00 13.40 H new ATOM 0 HB2 PHE A 13 22.945 -13.252 -8.083 1.00 33.20 H new ATOM 0 HB3 PHE A 13 23.929 -13.198 -6.634 1.00 33.20 H new ATOM 0 HD1 PHE A 13 22.231 -15.472 -9.038 1.00 13.31 H new ATOM 0 HD2 PHE A 13 24.841 -15.253 -5.656 1.00 61.13 H new ATOM 0 HE1 PHE A 13 22.862 -17.820 -9.363 1.00 12.21 H new ATOM 0 HE2 PHE A 13 25.462 -17.603 -5.995 1.00 60.30 H new ATOM 0 HZ PHE A 13 24.469 -18.891 -7.840 1.00 15.54 H new ATOM 224 N GLN A 14 20.515 -11.772 -5.191 1.00 60.03 N ATOM 225 CA GLN A 14 19.936 -10.442 -5.001 1.00 43.01 C ATOM 226 C GLN A 14 20.523 -9.800 -3.746 1.00 45.42 C ATOM 227 O GLN A 14 20.389 -10.356 -2.650 1.00 33.34 O ATOM 228 CB GLN A 14 18.393 -10.566 -4.844 1.00 52.24 C ATOM 229 CG GLN A 14 17.667 -11.214 -6.046 1.00 14.24 C ATOM 230 CD GLN A 14 16.191 -11.538 -5.764 1.00 53.13 C ATOM 231 OE1 GLN A 14 15.815 -11.825 -4.628 1.00 31.25 O ATOM 232 NE2 GLN A 14 15.348 -11.509 -6.785 1.00 4.25 N ATOM 0 H GLN A 14 20.085 -12.490 -4.608 1.00 60.03 H new ATOM 0 HA GLN A 14 20.167 -9.821 -5.867 1.00 43.01 H new ATOM 0 HB2 GLN A 14 18.179 -11.152 -3.950 1.00 52.24 H new ATOM 0 HB3 GLN A 14 17.978 -9.572 -4.680 1.00 52.24 H new ATOM 0 HG2 GLN A 14 17.727 -10.542 -6.902 1.00 14.24 H new ATOM 0 HG3 GLN A 14 18.186 -12.131 -6.323 1.00 14.24 H new ATOM 0 HE21 GLN A 14 15.684 -11.268 -7.717 1.00 4.25 H new ATOM 0 HE22 GLN A 14 14.362 -11.728 -6.639 1.00 4.25 H new ATOM 241 N SER A 15 21.188 -8.645 -3.904 1.00 72.41 N ATOM 242 CA SER A 15 21.475 -7.747 -2.780 1.00 34.52 C ATOM 243 C SER A 15 20.135 -7.111 -2.394 1.00 51.54 C ATOM 244 O SER A 15 19.806 -6.000 -2.822 1.00 63.33 O ATOM 245 CB SER A 15 22.535 -6.692 -3.176 1.00 65.33 C ATOM 246 OG SER A 15 23.709 -7.312 -3.685 1.00 33.21 O ATOM 0 H SER A 15 21.537 -8.312 -4.803 1.00 72.41 H new ATOM 0 HA SER A 15 21.899 -8.282 -1.930 1.00 34.52 H new ATOM 0 HB2 SER A 15 22.120 -6.020 -3.927 1.00 65.33 H new ATOM 0 HB3 SER A 15 22.789 -6.083 -2.308 1.00 65.33 H new ATOM 0 HG SER A 15 24.363 -6.624 -3.930 1.00 33.21 H new ATOM 252 N HIS A 16 19.334 -7.898 -1.651 1.00 2.14 N ATOM 253 CA HIS A 16 17.883 -7.718 -1.571 1.00 5.04 C ATOM 254 C HIS A 16 17.513 -6.564 -0.632 1.00 55.23 C ATOM 255 O HIS A 16 17.188 -6.759 0.540 1.00 50.23 O ATOM 256 CB HIS A 16 17.182 -9.047 -1.158 1.00 44.51 C ATOM 257 CG HIS A 16 15.695 -9.052 -1.417 1.00 22.42 C ATOM 258 ND1 HIS A 16 14.822 -8.183 -0.807 1.00 34.11 N ATOM 259 CD2 HIS A 16 14.939 -9.781 -2.275 1.00 71.25 C ATOM 260 CE1 HIS A 16 13.614 -8.381 -1.268 1.00 13.52 C ATOM 261 NE2 HIS A 16 13.646 -9.350 -2.156 1.00 54.30 N ATOM 0 H HIS A 16 19.681 -8.676 -1.091 1.00 2.14 H new ATOM 0 HA HIS A 16 17.522 -7.449 -2.563 1.00 5.04 H new ATOM 0 HB2 HIS A 16 17.640 -9.874 -1.702 1.00 44.51 H new ATOM 0 HB3 HIS A 16 17.358 -9.227 -0.097 1.00 44.51 H new ATOM 0 HD1 HIS A 16 15.077 -7.490 -0.103 1.00 34.11 H new ATOM 0 HD2 HIS A 16 15.293 -10.561 -2.933 1.00 71.25 H new ATOM 0 HE1 HIS A 16 12.732 -7.836 -0.967 1.00 13.52 H new ATOM 270 N MET A 17 17.609 -5.359 -1.178 1.00 51.14 N ATOM 271 CA MET A 17 17.079 -4.140 -0.578 1.00 61.33 C ATOM 272 C MET A 17 15.719 -3.884 -1.222 1.00 31.30 C ATOM 273 O MET A 17 15.560 -4.109 -2.434 1.00 52.31 O ATOM 274 CB MET A 17 18.050 -2.952 -0.845 1.00 24.40 C ATOM 275 CG MET A 17 17.606 -1.603 -0.252 1.00 25.45 C ATOM 276 SD MET A 17 17.428 -1.651 1.548 1.00 73.32 S ATOM 277 CE MET A 17 19.081 -2.117 2.079 1.00 3.35 C ATOM 0 H MET A 17 18.069 -5.197 -2.074 1.00 51.14 H new ATOM 0 HA MET A 17 16.976 -4.242 0.502 1.00 61.33 H new ATOM 0 HB2 MET A 17 19.030 -3.205 -0.440 1.00 24.40 H new ATOM 0 HB3 MET A 17 18.171 -2.836 -1.922 1.00 24.40 H new ATOM 0 HG2 MET A 17 18.333 -0.837 -0.520 1.00 25.45 H new ATOM 0 HG3 MET A 17 16.656 -1.310 -0.699 1.00 25.45 H new ATOM 0 HE1 MET A 17 19.187 -1.926 3.147 1.00 3.35 H new ATOM 0 HE2 MET A 17 19.241 -3.177 1.882 1.00 3.35 H new ATOM 0 HE3 MET A 17 19.818 -1.531 1.530 1.00 3.35 H new ATOM 287 N THR A 18 14.736 -3.456 -0.422 1.00 51.02 N ATOM 288 CA THR A 18 13.418 -3.091 -0.936 1.00 52.12 C ATOM 289 C THR A 18 13.539 -1.854 -1.849 1.00 31.11 C ATOM 290 O THR A 18 14.329 -0.942 -1.569 1.00 61.12 O ATOM 291 CB THR A 18 12.417 -2.796 0.227 1.00 53.11 C ATOM 292 OG1 THR A 18 12.442 -3.873 1.185 1.00 32.01 O ATOM 293 CG2 THR A 18 10.979 -2.619 -0.295 1.00 11.31 C ATOM 0 H THR A 18 14.833 -3.355 0.588 1.00 51.02 H new ATOM 0 HA THR A 18 13.031 -3.934 -1.509 1.00 52.12 H new ATOM 0 HB THR A 18 12.730 -1.866 0.701 1.00 53.11 H new ATOM 0 HG1 THR A 18 12.948 -4.627 0.816 1.00 32.01 H new ATOM 0 HG21 THR A 18 10.311 -2.415 0.542 1.00 11.31 H new ATOM 0 HG22 THR A 18 10.947 -1.785 -0.997 1.00 11.31 H new ATOM 0 HG23 THR A 18 10.660 -3.531 -0.800 1.00 11.31 H new ATOM 301 N ASP A 19 12.773 -1.850 -2.945 1.00 50.50 N ATOM 302 CA ASP A 19 12.711 -0.713 -3.875 1.00 41.43 C ATOM 303 C ASP A 19 12.032 0.500 -3.190 1.00 61.24 C ATOM 304 O ASP A 19 11.319 0.343 -2.183 1.00 42.10 O ATOM 305 CB ASP A 19 11.940 -1.128 -5.154 1.00 3.31 C ATOM 306 CG ASP A 19 11.860 -0.005 -6.209 1.00 40.45 C ATOM 307 OD1 ASP A 19 12.895 0.290 -6.840 1.00 3.03 O ATOM 308 OD2 ASP A 19 10.779 0.597 -6.393 1.00 22.53 O ATOM 0 H ASP A 19 12.178 -2.634 -3.214 1.00 50.50 H new ATOM 0 HA ASP A 19 13.722 -0.421 -4.157 1.00 41.43 H new ATOM 0 HB2 ASP A 19 12.425 -1.998 -5.596 1.00 3.31 H new ATOM 0 HB3 ASP A 19 10.930 -1.431 -4.879 1.00 3.31 H new ATOM 313 N GLU A 20 12.227 1.699 -3.771 1.00 73.22 N ATOM 314 CA GLU A 20 11.666 2.958 -3.247 1.00 53.22 C ATOM 315 C GLU A 20 10.121 3.011 -3.345 1.00 45.54 C ATOM 316 O GLU A 20 9.526 4.000 -2.904 1.00 44.45 O ATOM 317 CB GLU A 20 12.278 4.180 -3.986 1.00 52.10 C ATOM 318 CG GLU A 20 11.952 4.247 -5.494 1.00 43.30 C ATOM 319 CD GLU A 20 12.441 5.543 -6.156 1.00 12.45 C ATOM 320 OE1 GLU A 20 11.793 6.599 -5.960 1.00 14.33 O ATOM 321 OE2 GLU A 20 13.466 5.519 -6.870 1.00 35.10 O ATOM 0 H GLU A 20 12.780 1.822 -4.619 1.00 73.22 H new ATOM 0 HA GLU A 20 11.930 2.997 -2.190 1.00 53.22 H new ATOM 0 HB2 GLU A 20 11.921 5.093 -3.509 1.00 52.10 H new ATOM 0 HB3 GLU A 20 13.361 4.158 -3.862 1.00 52.10 H new ATOM 0 HG2 GLU A 20 12.408 3.394 -5.997 1.00 43.30 H new ATOM 0 HG3 GLU A 20 10.874 4.159 -5.631 1.00 43.30 H new ATOM 328 N LEU A 21 9.482 1.942 -3.909 1.00 22.31 N ATOM 329 CA LEU A 21 8.010 1.809 -4.003 1.00 40.02 C ATOM 330 C LEU A 21 7.314 2.033 -2.645 1.00 41.32 C ATOM 331 O LEU A 21 6.186 2.508 -2.617 1.00 62.13 O ATOM 332 CB LEU A 21 7.615 0.443 -4.652 1.00 15.50 C ATOM 333 CG LEU A 21 8.152 -0.889 -3.994 1.00 54.00 C ATOM 334 CD1 LEU A 21 7.341 -1.322 -2.750 1.00 51.40 C ATOM 335 CD2 LEU A 21 8.206 -2.035 -5.026 1.00 62.42 C ATOM 0 H LEU A 21 9.984 1.150 -4.310 1.00 22.31 H new ATOM 0 HA LEU A 21 7.650 2.602 -4.659 1.00 40.02 H new ATOM 0 HB2 LEU A 21 6.527 0.388 -4.671 1.00 15.50 H new ATOM 0 HB3 LEU A 21 7.951 0.459 -5.689 1.00 15.50 H new ATOM 0 HG LEU A 21 9.163 -0.670 -3.651 1.00 54.00 H new ATOM 0 HD11 LEU A 21 7.760 -2.243 -2.345 1.00 51.40 H new ATOM 0 HD12 LEU A 21 7.389 -0.538 -1.994 1.00 51.40 H new ATOM 0 HD13 LEU A 21 6.302 -1.490 -3.033 1.00 51.40 H new ATOM 0 HD21 LEU A 21 8.579 -2.940 -4.546 1.00 62.42 H new ATOM 0 HD22 LEU A 21 7.206 -2.219 -5.418 1.00 62.42 H new ATOM 0 HD23 LEU A 21 8.871 -1.757 -5.844 1.00 62.42 H new ATOM 347 N LEU A 22 8.018 1.723 -1.532 1.00 1.14 N ATOM 348 CA LEU A 22 7.537 2.036 -0.171 1.00 21.02 C ATOM 349 C LEU A 22 7.252 3.540 -0.050 1.00 43.45 C ATOM 350 O LEU A 22 6.114 3.952 0.179 1.00 10.30 O ATOM 351 CB LEU A 22 8.579 1.622 0.910 1.00 20.23 C ATOM 352 CG LEU A 22 8.951 0.116 0.974 1.00 14.21 C ATOM 353 CD1 LEU A 22 9.883 -0.156 2.168 1.00 71.50 C ATOM 354 CD2 LEU A 22 7.698 -0.790 1.016 1.00 30.32 C ATOM 0 H LEU A 22 8.924 1.255 -1.553 1.00 1.14 H new ATOM 0 HA LEU A 22 6.622 1.468 -0.003 1.00 21.02 H new ATOM 0 HB2 LEU A 22 9.492 2.192 0.739 1.00 20.23 H new ATOM 0 HB3 LEU A 22 8.195 1.920 1.886 1.00 20.23 H new ATOM 0 HG LEU A 22 9.485 -0.134 0.057 1.00 14.21 H new ATOM 0 HD11 LEU A 22 10.135 -1.216 2.199 1.00 71.50 H new ATOM 0 HD12 LEU A 22 10.795 0.430 2.058 1.00 71.50 H new ATOM 0 HD13 LEU A 22 9.380 0.125 3.093 1.00 71.50 H new ATOM 0 HD21 LEU A 22 8.006 -1.835 1.060 1.00 30.32 H new ATOM 0 HD22 LEU A 22 7.104 -0.549 1.898 1.00 30.32 H new ATOM 0 HD23 LEU A 22 7.100 -0.626 0.120 1.00 30.32 H new ATOM 366 N GLU A 23 8.306 4.334 -0.329 1.00 52.23 N ATOM 367 CA GLU A 23 8.283 5.798 -0.214 1.00 71.33 C ATOM 368 C GLU A 23 7.304 6.412 -1.233 1.00 53.04 C ATOM 369 O GLU A 23 6.643 7.409 -0.931 1.00 61.42 O ATOM 370 CB GLU A 23 9.721 6.360 -0.406 1.00 31.13 C ATOM 371 CG GLU A 23 9.923 7.840 0.048 1.00 21.40 C ATOM 372 CD GLU A 23 10.393 8.789 -1.067 1.00 12.13 C ATOM 373 OE1 GLU A 23 11.450 8.527 -1.679 1.00 65.31 O ATOM 374 OE2 GLU A 23 9.718 9.798 -1.344 1.00 73.14 O ATOM 0 H GLU A 23 9.205 3.968 -0.644 1.00 52.23 H new ATOM 0 HA GLU A 23 7.932 6.071 0.781 1.00 71.33 H new ATOM 0 HB2 GLU A 23 10.417 5.729 0.147 1.00 31.13 H new ATOM 0 HB3 GLU A 23 9.987 6.281 -1.460 1.00 31.13 H new ATOM 0 HG2 GLU A 23 8.983 8.214 0.454 1.00 21.40 H new ATOM 0 HG3 GLU A 23 10.652 7.862 0.858 1.00 21.40 H new ATOM 381 N ARG A 24 7.182 5.765 -2.413 1.00 73.10 N ATOM 382 CA ARG A 24 6.231 6.166 -3.473 1.00 64.44 C ATOM 383 C ARG A 24 4.787 6.018 -2.970 1.00 31.15 C ATOM 384 O ARG A 24 3.926 6.860 -3.260 1.00 32.34 O ATOM 385 CB ARG A 24 6.441 5.299 -4.751 1.00 72.44 C ATOM 386 CG ARG A 24 7.869 5.328 -5.359 1.00 11.22 C ATOM 387 CD ARG A 24 8.197 6.595 -6.176 1.00 15.23 C ATOM 388 NE ARG A 24 7.972 7.848 -5.440 1.00 71.41 N ATOM 389 CZ ARG A 24 8.770 8.357 -4.488 1.00 34.20 C ATOM 390 NH1 ARG A 24 9.897 7.750 -4.114 1.00 52.24 N ATOM 391 NH2 ARG A 24 8.422 9.491 -3.905 1.00 34.50 N ATOM 0 H ARG A 24 7.742 4.948 -2.658 1.00 73.10 H new ATOM 0 HA ARG A 24 6.415 7.210 -3.726 1.00 64.44 H new ATOM 0 HB2 ARG A 24 6.189 4.266 -4.512 1.00 72.44 H new ATOM 0 HB3 ARG A 24 5.735 5.631 -5.513 1.00 72.44 H new ATOM 0 HG2 ARG A 24 8.595 5.235 -4.551 1.00 11.22 H new ATOM 0 HG3 ARG A 24 7.993 4.456 -6.001 1.00 11.22 H new ATOM 0 HD2 ARG A 24 9.239 6.552 -6.493 1.00 15.23 H new ATOM 0 HD3 ARG A 24 7.589 6.601 -7.080 1.00 15.23 H new ATOM 0 HE ARG A 24 7.133 8.379 -5.674 1.00 71.41 H new ATOM 0 HH11 ARG A 24 10.174 6.873 -4.555 1.00 52.24 H new ATOM 0 HH12 ARG A 24 10.482 8.163 -3.387 1.00 52.24 H new ATOM 0 HH21 ARG A 24 7.561 9.963 -4.181 1.00 34.50 H new ATOM 0 HH22 ARG A 24 9.015 9.894 -3.179 1.00 34.50 H new ATOM 405 N LEU A 25 4.547 4.955 -2.178 1.00 4.20 N ATOM 406 CA LEU A 25 3.228 4.673 -1.609 1.00 15.22 C ATOM 407 C LEU A 25 2.986 5.548 -0.385 1.00 40.24 C ATOM 408 O LEU A 25 1.848 5.903 -0.119 1.00 53.24 O ATOM 409 CB LEU A 25 3.056 3.160 -1.263 1.00 30.13 C ATOM 410 CG LEU A 25 2.442 2.270 -2.392 1.00 12.41 C ATOM 411 CD1 LEU A 25 3.348 2.195 -3.631 1.00 33.41 C ATOM 412 CD2 LEU A 25 2.104 0.871 -1.858 1.00 22.41 C ATOM 0 H LEU A 25 5.262 4.275 -1.920 1.00 4.20 H new ATOM 0 HA LEU A 25 2.478 4.913 -2.363 1.00 15.22 H new ATOM 0 HB2 LEU A 25 4.032 2.754 -0.997 1.00 30.13 H new ATOM 0 HB3 LEU A 25 2.425 3.078 -0.378 1.00 30.13 H new ATOM 0 HG LEU A 25 1.515 2.745 -2.713 1.00 12.41 H new ATOM 0 HD11 LEU A 25 2.879 1.566 -4.387 1.00 33.41 H new ATOM 0 HD12 LEU A 25 3.497 3.197 -4.034 1.00 33.41 H new ATOM 0 HD13 LEU A 25 4.312 1.769 -3.352 1.00 33.41 H new ATOM 0 HD21 LEU A 25 1.678 0.268 -2.660 1.00 22.41 H new ATOM 0 HD22 LEU A 25 3.011 0.394 -1.488 1.00 22.41 H new ATOM 0 HD23 LEU A 25 1.382 0.956 -1.046 1.00 22.41 H new ATOM 424 N ARG A 26 4.065 5.912 0.338 1.00 53.01 N ATOM 425 CA ARG A 26 3.968 6.768 1.526 1.00 23.31 C ATOM 426 C ARG A 26 3.401 8.135 1.137 1.00 60.23 C ATOM 427 O ARG A 26 2.482 8.621 1.779 1.00 32.30 O ATOM 428 CB ARG A 26 5.344 6.968 2.210 1.00 23.15 C ATOM 429 CG ARG A 26 5.236 7.519 3.659 1.00 1.01 C ATOM 430 CD ARG A 26 6.448 8.361 4.093 1.00 54.52 C ATOM 431 NE ARG A 26 6.459 9.668 3.408 1.00 40.05 N ATOM 432 CZ ARG A 26 5.939 10.811 3.908 1.00 0.11 C ATOM 433 NH1 ARG A 26 5.371 10.839 5.114 1.00 22.42 N ATOM 434 NH2 ARG A 26 5.962 11.920 3.181 1.00 13.03 N ATOM 0 H ARG A 26 5.017 5.621 0.113 1.00 53.01 H new ATOM 0 HA ARG A 26 3.305 6.269 2.233 1.00 23.31 H new ATOM 0 HB2 ARG A 26 5.874 6.016 2.229 1.00 23.15 H new ATOM 0 HB3 ARG A 26 5.943 7.654 1.611 1.00 23.15 H new ATOM 0 HG2 ARG A 26 4.335 8.127 3.741 1.00 1.01 H new ATOM 0 HG3 ARG A 26 5.120 6.683 4.348 1.00 1.01 H new ATOM 0 HD2 ARG A 26 6.422 8.513 5.172 1.00 54.52 H new ATOM 0 HD3 ARG A 26 7.368 7.822 3.869 1.00 54.52 H new ATOM 0 HE ARG A 26 6.893 9.712 2.486 1.00 40.05 H new ATOM 0 HH11 ARG A 26 5.324 9.989 5.675 1.00 22.42 H new ATOM 0 HH12 ARG A 26 4.984 11.711 5.475 1.00 22.42 H new ATOM 0 HH21 ARG A 26 6.371 11.909 2.247 1.00 13.03 H new ATOM 0 HH22 ARG A 26 5.570 12.784 3.556 1.00 13.03 H new ATOM 448 N GLN A 27 3.953 8.716 0.043 1.00 51.31 N ATOM 449 CA GLN A 27 3.511 10.028 -0.476 1.00 30.42 C ATOM 450 C GLN A 27 2.040 9.963 -0.921 1.00 54.41 C ATOM 451 O GLN A 27 1.284 10.926 -0.754 1.00 5.23 O ATOM 452 CB GLN A 27 4.387 10.496 -1.670 1.00 54.31 C ATOM 453 CG GLN A 27 5.912 10.420 -1.451 1.00 53.53 C ATOM 454 CD GLN A 27 6.418 11.124 -0.187 1.00 75.31 C ATOM 455 OE1 GLN A 27 5.864 12.132 0.264 1.00 23.33 O ATOM 456 NE2 GLN A 27 7.485 10.600 0.391 1.00 70.23 N ATOM 0 H GLN A 27 4.708 8.292 -0.496 1.00 51.31 H new ATOM 0 HA GLN A 27 3.618 10.749 0.335 1.00 30.42 H new ATOM 0 HB2 GLN A 27 4.133 9.893 -2.542 1.00 54.31 H new ATOM 0 HB3 GLN A 27 4.124 11.527 -1.908 1.00 54.31 H new ATOM 0 HG2 GLN A 27 6.206 9.371 -1.408 1.00 53.53 H new ATOM 0 HG3 GLN A 27 6.411 10.856 -2.317 1.00 53.53 H new ATOM 0 HE21 GLN A 27 7.922 9.767 -0.004 1.00 70.23 H new ATOM 0 HE22 GLN A 27 7.872 11.029 1.232 1.00 70.23 H new ATOM 465 N LEU A 28 1.664 8.796 -1.487 1.00 43.15 N ATOM 466 CA LEU A 28 0.293 8.512 -1.927 1.00 63.03 C ATOM 467 C LEU A 28 -0.668 8.475 -0.726 1.00 4.33 C ATOM 468 O LEU A 28 -1.703 9.127 -0.757 1.00 42.50 O ATOM 469 CB LEU A 28 0.251 7.176 -2.720 1.00 0.42 C ATOM 470 CG LEU A 28 -1.156 6.701 -3.225 1.00 55.12 C ATOM 471 CD1 LEU A 28 -1.854 7.777 -4.086 1.00 5.31 C ATOM 472 CD2 LEU A 28 -1.047 5.359 -3.986 1.00 61.51 C ATOM 0 H LEU A 28 2.311 8.024 -1.650 1.00 43.15 H new ATOM 0 HA LEU A 28 -0.035 9.313 -2.589 1.00 63.03 H new ATOM 0 HB2 LEU A 28 0.908 7.272 -3.584 1.00 0.42 H new ATOM 0 HB3 LEU A 28 0.668 6.392 -2.088 1.00 0.42 H new ATOM 0 HG LEU A 28 -1.780 6.542 -2.345 1.00 55.12 H new ATOM 0 HD11 LEU A 28 -2.825 7.406 -4.415 1.00 5.31 H new ATOM 0 HD12 LEU A 28 -1.992 8.683 -3.495 1.00 5.31 H new ATOM 0 HD13 LEU A 28 -1.238 8.002 -4.957 1.00 5.31 H new ATOM 0 HD21 LEU A 28 -2.036 5.052 -4.325 1.00 61.51 H new ATOM 0 HD22 LEU A 28 -0.390 5.481 -4.847 1.00 61.51 H new ATOM 0 HD23 LEU A 28 -0.638 4.597 -3.323 1.00 61.51 H new ATOM 484 N PHE A 29 -0.281 7.750 0.344 1.00 74.30 N ATOM 485 CA PHE A 29 -1.121 7.586 1.552 1.00 42.35 C ATOM 486 C PHE A 29 -1.275 8.926 2.295 1.00 72.42 C ATOM 487 O PHE A 29 -2.348 9.231 2.818 1.00 35.22 O ATOM 488 CB PHE A 29 -0.519 6.527 2.517 1.00 34.44 C ATOM 489 CG PHE A 29 -0.288 5.128 1.940 1.00 10.32 C ATOM 490 CD1 PHE A 29 -1.083 4.616 0.910 1.00 12.43 C ATOM 491 CD2 PHE A 29 0.743 4.322 2.436 1.00 4.22 C ATOM 492 CE1 PHE A 29 -0.857 3.348 0.405 1.00 13.32 C ATOM 493 CE2 PHE A 29 0.962 3.057 1.928 1.00 12.42 C ATOM 494 CZ PHE A 29 0.166 2.573 0.914 1.00 33.41 C ATOM 0 H PHE A 29 0.615 7.265 0.397 1.00 74.30 H new ATOM 0 HA PHE A 29 -2.101 7.242 1.222 1.00 42.35 H new ATOM 0 HB2 PHE A 29 0.434 6.905 2.886 1.00 34.44 H new ATOM 0 HB3 PHE A 29 -1.181 6.435 3.378 1.00 34.44 H new ATOM 0 HD1 PHE A 29 -1.883 5.217 0.504 1.00 12.43 H new ATOM 0 HD2 PHE A 29 1.376 4.695 3.227 1.00 4.22 H new ATOM 0 HE1 PHE A 29 -1.481 2.964 -0.388 1.00 13.32 H new ATOM 0 HE2 PHE A 29 1.759 2.446 2.326 1.00 12.42 H new ATOM 0 HZ PHE A 29 0.342 1.585 0.516 1.00 33.41 H new ATOM 504 N GLU A 30 -0.179 9.707 2.319 1.00 62.52 N ATOM 505 CA GLU A 30 -0.144 11.065 2.891 1.00 13.41 C ATOM 506 C GLU A 30 -1.087 12.006 2.124 1.00 61.15 C ATOM 507 O GLU A 30 -1.755 12.849 2.730 1.00 64.04 O ATOM 508 CB GLU A 30 1.301 11.632 2.853 1.00 0.20 C ATOM 509 CG GLU A 30 2.284 10.962 3.833 1.00 32.35 C ATOM 510 CD GLU A 30 2.060 11.363 5.302 1.00 21.31 C ATOM 511 OE1 GLU A 30 1.379 10.637 6.047 1.00 50.21 O ATOM 512 OE2 GLU A 30 2.569 12.433 5.713 1.00 13.31 O ATOM 0 H GLU A 30 0.718 9.408 1.937 1.00 62.52 H new ATOM 0 HA GLU A 30 -0.477 11.001 3.927 1.00 13.41 H new ATOM 0 HB2 GLU A 30 1.691 11.527 1.841 1.00 0.20 H new ATOM 0 HB3 GLU A 30 1.263 12.699 3.071 1.00 0.20 H new ATOM 0 HG2 GLU A 30 2.193 9.880 3.743 1.00 32.35 H new ATOM 0 HG3 GLU A 30 3.303 11.221 3.546 1.00 32.35 H new ATOM 519 N GLU A 31 -1.132 11.843 0.782 1.00 73.01 N ATOM 520 CA GLU A 31 -2.034 12.618 -0.078 1.00 41.31 C ATOM 521 C GLU A 31 -3.492 12.257 0.241 1.00 13.24 C ATOM 522 O GLU A 31 -4.307 13.125 0.498 1.00 73.23 O ATOM 523 CB GLU A 31 -1.765 12.364 -1.583 1.00 41.00 C ATOM 524 CG GLU A 31 -2.628 13.255 -2.510 1.00 12.34 C ATOM 525 CD GLU A 31 -2.807 12.699 -3.927 1.00 70.22 C ATOM 526 OE1 GLU A 31 -3.892 12.167 -4.229 1.00 41.24 O ATOM 527 OE2 GLU A 31 -1.870 12.791 -4.744 1.00 34.34 O ATOM 0 H GLU A 31 -0.548 11.177 0.276 1.00 73.01 H new ATOM 0 HA GLU A 31 -1.850 13.673 0.124 1.00 41.31 H new ATOM 0 HB2 GLU A 31 -0.711 12.544 -1.794 1.00 41.00 H new ATOM 0 HB3 GLU A 31 -1.961 11.316 -1.810 1.00 41.00 H new ATOM 0 HG2 GLU A 31 -3.610 13.387 -2.057 1.00 12.34 H new ATOM 0 HG3 GLU A 31 -2.171 14.243 -2.574 1.00 12.34 H new ATOM 534 N LEU A 32 -3.774 10.943 0.255 1.00 4.53 N ATOM 535 CA LEU A 32 -5.119 10.389 0.511 1.00 12.24 C ATOM 536 C LEU A 32 -5.622 10.775 1.921 1.00 40.10 C ATOM 537 O LEU A 32 -6.822 10.985 2.137 1.00 53.21 O ATOM 538 CB LEU A 32 -5.074 8.851 0.337 1.00 24.11 C ATOM 539 CG LEU A 32 -4.687 8.348 -1.096 1.00 61.23 C ATOM 540 CD1 LEU A 32 -4.359 6.840 -1.110 1.00 63.02 C ATOM 541 CD2 LEU A 32 -5.780 8.691 -2.123 1.00 11.23 C ATOM 0 H LEU A 32 -3.068 10.226 0.087 1.00 4.53 H new ATOM 0 HA LEU A 32 -5.823 10.811 -0.206 1.00 12.24 H new ATOM 0 HB2 LEU A 32 -4.360 8.442 1.052 1.00 24.11 H new ATOM 0 HB3 LEU A 32 -6.052 8.444 0.595 1.00 24.11 H new ATOM 0 HG LEU A 32 -3.779 8.876 -1.386 1.00 61.23 H new ATOM 0 HD11 LEU A 32 -4.096 6.534 -2.123 1.00 63.02 H new ATOM 0 HD12 LEU A 32 -3.520 6.644 -0.442 1.00 63.02 H new ATOM 0 HD13 LEU A 32 -5.229 6.275 -0.775 1.00 63.02 H new ATOM 0 HD21 LEU A 32 -5.481 8.329 -3.107 1.00 11.23 H new ATOM 0 HD22 LEU A 32 -6.716 8.216 -1.830 1.00 11.23 H new ATOM 0 HD23 LEU A 32 -5.918 9.772 -2.161 1.00 11.23 H new ATOM 553 N HIS A 33 -4.654 10.932 2.839 1.00 41.43 N ATOM 554 CA HIS A 33 -4.872 11.311 4.246 1.00 72.32 C ATOM 555 C HIS A 33 -5.549 12.701 4.381 1.00 52.41 C ATOM 556 O HIS A 33 -6.096 13.018 5.445 1.00 33.40 O ATOM 557 CB HIS A 33 -3.507 11.270 4.991 1.00 32.22 C ATOM 558 CG HIS A 33 -3.595 11.277 6.485 1.00 75.11 C ATOM 559 ND1 HIS A 33 -3.011 12.238 7.279 1.00 52.52 N ATOM 560 CD2 HIS A 33 -4.165 10.396 7.333 1.00 51.05 C ATOM 561 CE1 HIS A 33 -3.222 11.950 8.544 1.00 51.34 C ATOM 562 NE2 HIS A 33 -3.919 10.838 8.602 1.00 4.14 N ATOM 0 H HIS A 33 -3.668 10.795 2.616 1.00 41.43 H new ATOM 0 HA HIS A 33 -5.559 10.597 4.700 1.00 72.32 H new ATOM 0 HB2 HIS A 33 -2.968 10.375 4.679 1.00 32.22 H new ATOM 0 HB3 HIS A 33 -2.913 12.127 4.674 1.00 32.22 H new ATOM 0 HD2 HIS A 33 -4.714 9.507 7.060 1.00 51.05 H new ATOM 0 HE1 HIS A 33 -2.881 12.528 9.390 1.00 51.34 H new ATOM 0 HE2 HIS A 33 -4.227 10.378 9.458 1.00 4.14 H new ATOM 571 N GLU A 34 -5.510 13.515 3.289 1.00 61.43 N ATOM 572 CA GLU A 34 -6.156 14.854 3.243 1.00 21.51 C ATOM 573 C GLU A 34 -7.681 14.759 3.522 1.00 25.41 C ATOM 574 O GLU A 34 -8.277 15.704 4.043 1.00 10.22 O ATOM 575 CB GLU A 34 -5.899 15.570 1.872 1.00 31.33 C ATOM 576 CG GLU A 34 -6.698 15.005 0.676 1.00 42.22 C ATOM 577 CD GLU A 34 -6.378 15.675 -0.667 1.00 32.01 C ATOM 578 OE1 GLU A 34 -7.090 16.624 -1.060 1.00 52.42 O ATOM 579 OE2 GLU A 34 -5.419 15.252 -1.350 1.00 71.12 O ATOM 0 H GLU A 34 -5.033 13.262 2.423 1.00 61.43 H new ATOM 0 HA GLU A 34 -5.700 15.453 4.031 1.00 21.51 H new ATOM 0 HB2 GLU A 34 -6.139 16.628 1.982 1.00 31.33 H new ATOM 0 HB3 GLU A 34 -4.836 15.507 1.641 1.00 31.33 H new ATOM 0 HG2 GLU A 34 -6.499 13.937 0.593 1.00 42.22 H new ATOM 0 HG3 GLU A 34 -7.763 15.116 0.880 1.00 42.22 H new ATOM 586 N ARG A 35 -8.310 13.620 3.134 1.00 35.15 N ATOM 587 CA ARG A 35 -9.716 13.305 3.504 1.00 34.32 C ATOM 588 C ARG A 35 -9.782 12.043 4.379 1.00 42.25 C ATOM 589 O ARG A 35 -10.716 11.873 5.175 1.00 22.11 O ATOM 590 CB ARG A 35 -10.627 13.139 2.252 1.00 43.03 C ATOM 591 CG ARG A 35 -10.202 12.061 1.216 1.00 13.23 C ATOM 592 CD ARG A 35 -9.324 12.612 0.078 1.00 73.04 C ATOM 593 NE ARG A 35 -10.022 13.644 -0.708 1.00 53.01 N ATOM 594 CZ ARG A 35 -9.624 14.127 -1.898 1.00 51.01 C ATOM 595 NH1 ARG A 35 -8.508 13.696 -2.488 1.00 3.30 N ATOM 596 NH2 ARG A 35 -10.356 15.063 -2.496 1.00 62.32 N ATOM 0 H ARG A 35 -7.864 12.902 2.563 1.00 35.15 H new ATOM 0 HA ARG A 35 -10.092 14.153 4.077 1.00 34.32 H new ATOM 0 HB2 ARG A 35 -11.635 12.904 2.594 1.00 43.03 H new ATOM 0 HB3 ARG A 35 -10.680 14.100 1.740 1.00 43.03 H new ATOM 0 HG2 ARG A 35 -9.659 11.268 1.731 1.00 13.23 H new ATOM 0 HG3 ARG A 35 -11.096 11.609 0.787 1.00 13.23 H new ATOM 0 HD2 ARG A 35 -8.410 13.032 0.497 1.00 73.04 H new ATOM 0 HD3 ARG A 35 -9.027 11.795 -0.579 1.00 73.04 H new ATOM 0 HE ARG A 35 -10.883 14.026 -0.315 1.00 53.01 H new ATOM 0 HH11 ARG A 35 -7.935 12.984 -2.036 1.00 3.30 H new ATOM 0 HH12 ARG A 35 -8.228 14.079 -3.391 1.00 3.30 H new ATOM 0 HH21 ARG A 35 -11.208 15.406 -2.052 1.00 62.32 H new ATOM 0 HH22 ARG A 35 -10.066 15.438 -3.399 1.00 62.32 H new ATOM 610 N GLY A 36 -8.782 11.164 4.217 1.00 63.32 N ATOM 611 CA GLY A 36 -8.776 9.849 4.844 1.00 2.34 C ATOM 612 C GLY A 36 -9.498 8.860 3.952 1.00 61.32 C ATOM 613 O GLY A 36 -10.408 8.162 4.402 1.00 64.21 O ATOM 0 H GLY A 36 -7.958 11.352 3.646 1.00 63.32 H new ATOM 0 HA2 GLY A 36 -7.751 9.520 5.014 1.00 2.34 H new ATOM 0 HA3 GLY A 36 -9.261 9.897 5.819 1.00 2.34 H new ATOM 617 N THR A 37 -9.096 8.852 2.666 1.00 71.24 N ATOM 618 CA THR A 37 -9.706 8.064 1.590 1.00 72.12 C ATOM 619 C THR A 37 -9.753 6.552 1.902 1.00 11.12 C ATOM 620 O THR A 37 -8.981 6.060 2.723 1.00 31.31 O ATOM 621 CB THR A 37 -8.883 8.271 0.266 1.00 14.32 C ATOM 622 OG1 THR A 37 -8.395 9.615 0.191 1.00 63.04 O ATOM 623 CG2 THR A 37 -9.716 8.002 -0.986 1.00 34.31 C ATOM 0 H THR A 37 -8.310 9.415 2.342 1.00 71.24 H new ATOM 0 HA THR A 37 -10.733 8.414 1.484 1.00 72.12 H new ATOM 0 HB THR A 37 -8.060 7.557 0.300 1.00 14.32 H new ATOM 0 HG1 THR A 37 -7.883 9.731 -0.636 1.00 63.04 H new ATOM 0 HG21 THR A 37 -9.102 8.159 -1.873 1.00 34.31 H new ATOM 0 HG22 THR A 37 -10.074 6.973 -0.970 1.00 34.31 H new ATOM 0 HG23 THR A 37 -10.567 8.682 -1.010 1.00 34.31 H new ATOM 631 N GLU A 38 -10.670 5.842 1.228 1.00 74.23 N ATOM 632 CA GLU A 38 -10.690 4.364 1.178 1.00 13.24 C ATOM 633 C GLU A 38 -9.360 3.814 0.592 1.00 53.33 C ATOM 634 O GLU A 38 -9.253 3.591 -0.600 1.00 63.41 O ATOM 635 CB GLU A 38 -11.916 3.879 0.319 1.00 22.14 C ATOM 636 CG GLU A 38 -12.077 4.642 -1.023 1.00 60.22 C ATOM 637 CD GLU A 38 -13.023 3.995 -2.048 1.00 71.41 C ATOM 638 OE1 GLU A 38 -14.223 3.827 -1.746 1.00 43.22 O ATOM 639 OE2 GLU A 38 -12.570 3.686 -3.179 1.00 32.42 O ATOM 0 H GLU A 38 -11.425 6.276 0.697 1.00 74.23 H new ATOM 0 HA GLU A 38 -10.793 3.979 2.193 1.00 13.24 H new ATOM 0 HB2 GLU A 38 -11.804 2.815 0.111 1.00 22.14 H new ATOM 0 HB3 GLU A 38 -12.828 3.995 0.905 1.00 22.14 H new ATOM 0 HG2 GLU A 38 -12.438 5.648 -0.807 1.00 60.22 H new ATOM 0 HG3 GLU A 38 -11.093 4.748 -1.480 1.00 60.22 H new ATOM 646 N ILE A 39 -8.344 3.619 1.442 1.00 62.04 N ATOM 647 CA ILE A 39 -7.028 3.115 1.004 1.00 43.54 C ATOM 648 C ILE A 39 -6.992 1.588 1.177 1.00 51.34 C ATOM 649 O ILE A 39 -6.984 1.079 2.299 1.00 3.31 O ATOM 650 CB ILE A 39 -5.837 3.747 1.821 1.00 2.45 C ATOM 651 CG1 ILE A 39 -5.940 5.300 1.875 1.00 5.15 C ATOM 652 CG2 ILE A 39 -4.483 3.301 1.218 1.00 0.04 C ATOM 653 CD1 ILE A 39 -4.904 5.983 2.765 1.00 62.21 C ATOM 0 H ILE A 39 -8.405 3.803 2.443 1.00 62.04 H new ATOM 0 HA ILE A 39 -6.901 3.398 -0.041 1.00 43.54 H new ATOM 0 HB ILE A 39 -5.899 3.385 2.847 1.00 2.45 H new ATOM 0 HG12 ILE A 39 -5.842 5.691 0.862 1.00 5.15 H new ATOM 0 HG13 ILE A 39 -6.935 5.571 2.227 1.00 5.15 H new ATOM 0 HG21 ILE A 39 -3.667 3.743 1.790 1.00 0.04 H new ATOM 0 HG22 ILE A 39 -4.407 2.214 1.258 1.00 0.04 H new ATOM 0 HG23 ILE A 39 -4.420 3.631 0.181 1.00 0.04 H new ATOM 0 HD11 ILE A 39 -5.056 7.062 2.738 1.00 62.21 H new ATOM 0 HD12 ILE A 39 -5.013 5.627 3.789 1.00 62.21 H new ATOM 0 HD13 ILE A 39 -3.903 5.749 2.404 1.00 62.21 H new ATOM 665 N VAL A 40 -6.984 0.862 0.052 1.00 64.40 N ATOM 666 CA VAL A 40 -6.928 -0.603 0.054 1.00 21.42 C ATOM 667 C VAL A 40 -5.600 -1.050 -0.558 1.00 74.22 C ATOM 668 O VAL A 40 -5.416 -0.982 -1.774 1.00 70.55 O ATOM 669 CB VAL A 40 -8.127 -1.238 -0.740 1.00 63.10 C ATOM 670 CG1 VAL A 40 -8.066 -2.782 -0.692 1.00 31.25 C ATOM 671 CG2 VAL A 40 -9.484 -0.699 -0.223 1.00 34.25 C ATOM 0 H VAL A 40 -7.016 1.273 -0.881 1.00 64.40 H new ATOM 0 HA VAL A 40 -7.005 -0.948 1.085 1.00 21.42 H new ATOM 0 HB VAL A 40 -8.038 -0.941 -1.785 1.00 63.10 H new ATOM 0 HG11 VAL A 40 -8.906 -3.197 -1.249 1.00 31.25 H new ATOM 0 HG12 VAL A 40 -7.132 -3.123 -1.138 1.00 31.25 H new ATOM 0 HG13 VAL A 40 -8.117 -3.116 0.344 1.00 31.25 H new ATOM 0 HG21 VAL A 40 -10.296 -1.155 -0.790 1.00 34.25 H new ATOM 0 HG22 VAL A 40 -9.595 -0.946 0.833 1.00 34.25 H new ATOM 0 HG23 VAL A 40 -9.517 0.383 -0.348 1.00 34.25 H new ATOM 681 N VAL A 41 -4.681 -1.495 0.297 1.00 22.00 N ATOM 682 CA VAL A 41 -3.371 -1.993 -0.127 1.00 31.11 C ATOM 683 C VAL A 41 -3.467 -3.517 -0.302 1.00 12.31 C ATOM 684 O VAL A 41 -3.605 -4.256 0.671 1.00 23.33 O ATOM 685 CB VAL A 41 -2.284 -1.612 0.937 1.00 50.44 C ATOM 686 CG1 VAL A 41 -0.884 -2.107 0.524 1.00 64.41 C ATOM 687 CG2 VAL A 41 -2.300 -0.089 1.186 1.00 31.52 C ATOM 0 H VAL A 41 -4.823 -1.521 1.307 1.00 22.00 H new ATOM 0 HA VAL A 41 -3.078 -1.540 -1.074 1.00 31.11 H new ATOM 0 HB VAL A 41 -2.528 -2.116 1.872 1.00 50.44 H new ATOM 0 HG11 VAL A 41 -0.158 -1.824 1.286 1.00 64.41 H new ATOM 0 HG12 VAL A 41 -0.897 -3.192 0.421 1.00 64.41 H new ATOM 0 HG13 VAL A 41 -0.605 -1.656 -0.428 1.00 64.41 H new ATOM 0 HG21 VAL A 41 -1.542 0.167 1.926 1.00 31.52 H new ATOM 0 HG22 VAL A 41 -2.088 0.434 0.254 1.00 31.52 H new ATOM 0 HG23 VAL A 41 -3.282 0.209 1.554 1.00 31.52 H new ATOM 697 N GLU A 42 -3.407 -3.960 -1.561 1.00 41.42 N ATOM 698 CA GLU A 42 -3.636 -5.356 -1.946 1.00 10.22 C ATOM 699 C GLU A 42 -2.377 -5.890 -2.650 1.00 33.32 C ATOM 700 O GLU A 42 -2.096 -5.534 -3.794 1.00 14.55 O ATOM 701 CB GLU A 42 -4.878 -5.403 -2.871 1.00 53.22 C ATOM 702 CG GLU A 42 -5.270 -6.801 -3.377 1.00 15.03 C ATOM 703 CD GLU A 42 -6.480 -6.759 -4.315 1.00 45.31 C ATOM 704 OE1 GLU A 42 -7.558 -7.258 -3.944 1.00 13.24 O ATOM 705 OE2 GLU A 42 -6.364 -6.194 -5.426 1.00 54.14 O ATOM 0 H GLU A 42 -3.195 -3.352 -2.352 1.00 41.42 H new ATOM 0 HA GLU A 42 -3.826 -5.986 -1.077 1.00 10.22 H new ATOM 0 HB2 GLU A 42 -5.726 -4.978 -2.334 1.00 53.22 H new ATOM 0 HB3 GLU A 42 -4.693 -4.762 -3.733 1.00 53.22 H new ATOM 0 HG2 GLU A 42 -4.423 -7.247 -3.899 1.00 15.03 H new ATOM 0 HG3 GLU A 42 -5.495 -7.444 -2.526 1.00 15.03 H new ATOM 712 N VAL A 43 -1.630 -6.755 -1.954 1.00 23.14 N ATOM 713 CA VAL A 43 -0.296 -7.202 -2.379 1.00 34.00 C ATOM 714 C VAL A 43 -0.399 -8.590 -3.043 1.00 14.34 C ATOM 715 O VAL A 43 -0.556 -9.609 -2.362 1.00 64.53 O ATOM 716 CB VAL A 43 0.673 -7.247 -1.134 1.00 53.34 C ATOM 717 CG1 VAL A 43 2.131 -7.519 -1.557 1.00 3.53 C ATOM 718 CG2 VAL A 43 0.563 -5.948 -0.299 1.00 65.05 C ATOM 0 H VAL A 43 -1.936 -7.168 -1.073 1.00 23.14 H new ATOM 0 HA VAL A 43 0.110 -6.500 -3.107 1.00 34.00 H new ATOM 0 HB VAL A 43 0.360 -8.079 -0.504 1.00 53.34 H new ATOM 0 HG11 VAL A 43 2.768 -7.543 -0.673 1.00 3.53 H new ATOM 0 HG12 VAL A 43 2.188 -8.479 -2.071 1.00 3.53 H new ATOM 0 HG13 VAL A 43 2.469 -6.728 -2.227 1.00 3.53 H new ATOM 0 HG21 VAL A 43 1.241 -6.005 0.553 1.00 65.05 H new ATOM 0 HG22 VAL A 43 0.831 -5.093 -0.920 1.00 65.05 H new ATOM 0 HG23 VAL A 43 -0.460 -5.831 0.058 1.00 65.05 H new ATOM 728 N HIS A 44 -0.344 -8.607 -4.384 1.00 64.44 N ATOM 729 CA HIS A 44 -0.395 -9.843 -5.188 1.00 52.15 C ATOM 730 C HIS A 44 1.040 -10.354 -5.445 1.00 35.02 C ATOM 731 O HIS A 44 1.719 -9.882 -6.358 1.00 50.22 O ATOM 732 CB HIS A 44 -1.100 -9.586 -6.543 1.00 54.11 C ATOM 733 CG HIS A 44 -2.515 -9.099 -6.479 1.00 4.35 C ATOM 734 ND1 HIS A 44 -3.596 -9.901 -6.782 1.00 23.41 N ATOM 735 CD2 HIS A 44 -3.015 -7.867 -6.262 1.00 72.43 C ATOM 736 CE1 HIS A 44 -4.693 -9.180 -6.755 1.00 22.11 C ATOM 737 NE2 HIS A 44 -4.368 -7.942 -6.448 1.00 0.24 N ATOM 0 H HIS A 44 -0.262 -7.760 -4.946 1.00 64.44 H new ATOM 0 HA HIS A 44 -0.961 -10.593 -4.635 1.00 52.15 H new ATOM 0 HB2 HIS A 44 -0.513 -8.856 -7.100 1.00 54.11 H new ATOM 0 HB3 HIS A 44 -1.084 -10.512 -7.117 1.00 54.11 H new ATOM 0 HD2 HIS A 44 -2.453 -6.985 -5.992 1.00 72.43 H new ATOM 0 HE1 HIS A 44 -5.692 -9.541 -6.951 1.00 22.11 H new ATOM 0 HE2 HIS A 44 -5.021 -7.163 -6.362 1.00 0.24 H new ATOM 746 N ILE A 45 1.497 -11.310 -4.635 1.00 73.02 N ATOM 747 CA ILE A 45 2.845 -11.895 -4.753 1.00 63.41 C ATOM 748 C ILE A 45 2.745 -13.397 -5.067 1.00 54.52 C ATOM 749 O ILE A 45 2.240 -14.172 -4.244 1.00 35.12 O ATOM 750 CB ILE A 45 3.694 -11.630 -3.446 1.00 3.41 C ATOM 751 CG1 ILE A 45 4.175 -10.145 -3.426 1.00 13.15 C ATOM 752 CG2 ILE A 45 4.880 -12.611 -3.287 1.00 44.14 C ATOM 753 CD1 ILE A 45 5.222 -9.828 -2.382 1.00 64.34 C ATOM 0 H ILE A 45 0.945 -11.706 -3.874 1.00 73.02 H new ATOM 0 HA ILE A 45 3.365 -11.410 -5.579 1.00 63.41 H new ATOM 0 HB ILE A 45 3.046 -11.810 -2.588 1.00 3.41 H new ATOM 0 HG12 ILE A 45 4.575 -9.895 -4.408 1.00 13.15 H new ATOM 0 HG13 ILE A 45 3.311 -9.501 -3.260 1.00 13.15 H new ATOM 0 HG21 ILE A 45 5.424 -12.378 -2.372 1.00 44.14 H new ATOM 0 HG22 ILE A 45 4.503 -13.632 -3.235 1.00 44.14 H new ATOM 0 HG23 ILE A 45 5.549 -12.514 -4.142 1.00 44.14 H new ATOM 0 HD11 ILE A 45 5.492 -8.774 -2.446 1.00 64.34 H new ATOM 0 HD12 ILE A 45 4.823 -10.041 -1.390 1.00 64.34 H new ATOM 0 HD13 ILE A 45 6.107 -10.441 -2.556 1.00 64.34 H new ATOM 765 N ASN A 46 3.194 -13.766 -6.294 1.00 13.34 N ATOM 766 CA ASN A 46 3.326 -15.163 -6.777 1.00 45.12 C ATOM 767 C ASN A 46 2.049 -16.014 -6.564 1.00 30.14 C ATOM 768 O ASN A 46 2.127 -17.238 -6.433 1.00 41.33 O ATOM 769 CB ASN A 46 4.586 -15.841 -6.148 1.00 1.43 C ATOM 770 CG ASN A 46 5.916 -15.215 -6.603 1.00 72.11 C ATOM 771 OD1 ASN A 46 6.508 -15.620 -7.606 1.00 51.40 O ATOM 772 ND2 ASN A 46 6.406 -14.236 -5.875 1.00 11.32 N ATOM 0 H ASN A 46 3.482 -13.081 -6.993 1.00 13.34 H new ATOM 0 HA ASN A 46 3.460 -15.111 -7.858 1.00 45.12 H new ATOM 0 HB2 ASN A 46 4.518 -15.778 -5.062 1.00 1.43 H new ATOM 0 HB3 ASN A 46 4.585 -16.900 -6.407 1.00 1.43 H new ATOM 0 HD21 ASN A 46 7.290 -13.799 -6.137 1.00 11.32 H new ATOM 0 HD22 ASN A 46 5.903 -13.914 -5.048 1.00 11.32 H new ATOM 779 N GLY A 47 0.871 -15.362 -6.557 1.00 30.02 N ATOM 780 CA GLY A 47 -0.417 -16.054 -6.420 1.00 40.04 C ATOM 781 C GLY A 47 -1.210 -15.596 -5.209 1.00 51.53 C ATOM 782 O GLY A 47 -2.445 -15.531 -5.260 1.00 52.13 O ATOM 0 H GLY A 47 0.789 -14.349 -6.646 1.00 30.02 H new ATOM 0 HA2 GLY A 47 -1.010 -15.888 -7.320 1.00 40.04 H new ATOM 0 HA3 GLY A 47 -0.241 -17.127 -6.348 1.00 40.04 H new ATOM 786 N GLU A 48 -0.507 -15.255 -4.121 1.00 14.23 N ATOM 787 CA GLU A 48 -1.144 -14.827 -2.860 1.00 71.22 C ATOM 788 C GLU A 48 -1.574 -13.357 -2.951 1.00 51.14 C ATOM 789 O GLU A 48 -0.913 -12.555 -3.606 1.00 21.24 O ATOM 790 CB GLU A 48 -0.175 -15.017 -1.659 1.00 63.13 C ATOM 791 CG GLU A 48 0.282 -16.470 -1.422 1.00 64.44 C ATOM 792 CD GLU A 48 -0.882 -17.468 -1.260 1.00 24.22 C ATOM 793 OE1 GLU A 48 -1.119 -18.283 -2.181 1.00 4.54 O ATOM 794 OE2 GLU A 48 -1.579 -17.429 -0.224 1.00 13.34 O ATOM 0 H GLU A 48 0.512 -15.266 -4.085 1.00 14.23 H new ATOM 0 HA GLU A 48 -2.025 -15.448 -2.699 1.00 71.22 H new ATOM 0 HB2 GLU A 48 0.706 -14.395 -1.819 1.00 63.13 H new ATOM 0 HB3 GLU A 48 -0.663 -14.652 -0.755 1.00 63.13 H new ATOM 0 HG2 GLU A 48 0.906 -16.786 -2.258 1.00 64.44 H new ATOM 0 HG3 GLU A 48 0.905 -16.504 -0.528 1.00 64.44 H new ATOM 801 N ARG A 49 -2.699 -13.025 -2.293 1.00 32.20 N ATOM 802 CA ARG A 49 -3.212 -11.646 -2.186 1.00 22.13 C ATOM 803 C ARG A 49 -3.321 -11.264 -0.696 1.00 63.04 C ATOM 804 O ARG A 49 -3.990 -11.954 0.085 1.00 3.11 O ATOM 805 CB ARG A 49 -4.593 -11.498 -2.910 1.00 41.20 C ATOM 806 CG ARG A 49 -5.683 -12.501 -2.461 1.00 31.30 C ATOM 807 CD ARG A 49 -7.070 -12.202 -3.062 1.00 23.23 C ATOM 808 NE ARG A 49 -8.067 -13.221 -2.670 1.00 71.21 N ATOM 809 CZ ARG A 49 -9.397 -13.030 -2.597 1.00 61.22 C ATOM 810 NH1 ARG A 49 -9.942 -11.851 -2.880 1.00 1.34 N ATOM 811 NH2 ARG A 49 -10.189 -14.031 -2.236 1.00 41.12 N ATOM 0 H ARG A 49 -3.283 -13.712 -1.816 1.00 32.20 H new ATOM 0 HA ARG A 49 -2.518 -10.966 -2.681 1.00 22.13 H new ATOM 0 HB2 ARG A 49 -4.964 -10.486 -2.747 1.00 41.20 H new ATOM 0 HB3 ARG A 49 -4.437 -11.612 -3.983 1.00 41.20 H new ATOM 0 HG2 ARG A 49 -5.380 -13.508 -2.747 1.00 31.30 H new ATOM 0 HG3 ARG A 49 -5.755 -12.486 -1.373 1.00 31.30 H new ATOM 0 HD2 ARG A 49 -7.405 -11.219 -2.732 1.00 23.23 H new ATOM 0 HD3 ARG A 49 -6.995 -12.165 -4.149 1.00 23.23 H new ATOM 0 HE ARG A 49 -7.716 -14.149 -2.434 1.00 71.21 H new ATOM 0 HH11 ARG A 49 -9.349 -11.069 -3.159 1.00 1.34 H new ATOM 0 HH12 ARG A 49 -10.953 -11.728 -2.818 1.00 1.34 H new ATOM 0 HH21 ARG A 49 -9.790 -14.943 -2.014 1.00 41.12 H new ATOM 0 HH22 ARG A 49 -11.197 -13.889 -2.180 1.00 41.12 H new ATOM 825 N ASP A 50 -2.614 -10.194 -0.300 1.00 53.12 N ATOM 826 CA ASP A 50 -2.659 -9.654 1.072 1.00 51.42 C ATOM 827 C ASP A 50 -3.513 -8.382 1.052 1.00 71.14 C ATOM 828 O ASP A 50 -3.107 -7.383 0.472 1.00 70.25 O ATOM 829 CB ASP A 50 -1.222 -9.334 1.560 1.00 60.12 C ATOM 830 CG ASP A 50 -1.163 -8.915 3.039 1.00 71.03 C ATOM 831 OD1 ASP A 50 -1.147 -7.697 3.334 1.00 23.45 O ATOM 832 OD2 ASP A 50 -1.129 -9.807 3.922 1.00 23.22 O ATOM 0 H ASP A 50 -1.993 -9.676 -0.922 1.00 53.12 H new ATOM 0 HA ASP A 50 -3.094 -10.383 1.756 1.00 51.42 H new ATOM 0 HB2 ASP A 50 -0.591 -10.211 1.412 1.00 60.12 H new ATOM 0 HB3 ASP A 50 -0.806 -8.535 0.946 1.00 60.12 H new ATOM 837 N GLU A 51 -4.688 -8.421 1.687 1.00 4.35 N ATOM 838 CA GLU A 51 -5.674 -7.323 1.611 1.00 45.31 C ATOM 839 C GLU A 51 -5.682 -6.514 2.917 1.00 53.32 C ATOM 840 O GLU A 51 -5.986 -7.051 3.992 1.00 45.35 O ATOM 841 CB GLU A 51 -7.088 -7.883 1.310 1.00 31.14 C ATOM 842 CG GLU A 51 -8.154 -6.794 1.047 1.00 62.30 C ATOM 843 CD GLU A 51 -9.570 -7.361 0.872 1.00 15.31 C ATOM 844 OE1 GLU A 51 -9.883 -7.874 -0.214 1.00 23.45 O ATOM 845 OE2 GLU A 51 -10.376 -7.310 1.825 1.00 14.53 O ATOM 0 H GLU A 51 -4.987 -9.206 2.266 1.00 4.35 H new ATOM 0 HA GLU A 51 -5.386 -6.658 0.797 1.00 45.31 H new ATOM 0 HB2 GLU A 51 -7.031 -8.538 0.441 1.00 31.14 H new ATOM 0 HB3 GLU A 51 -7.411 -8.497 2.151 1.00 31.14 H new ATOM 0 HG2 GLU A 51 -8.153 -6.087 1.876 1.00 62.30 H new ATOM 0 HG3 GLU A 51 -7.880 -6.236 0.152 1.00 62.30 H new ATOM 852 N ILE A 52 -5.316 -5.231 2.812 1.00 53.41 N ATOM 853 CA ILE A 52 -5.376 -4.267 3.921 1.00 64.15 C ATOM 854 C ILE A 52 -6.367 -3.159 3.528 1.00 55.14 C ATOM 855 O ILE A 52 -6.108 -2.422 2.582 1.00 35.11 O ATOM 856 CB ILE A 52 -3.972 -3.603 4.216 1.00 61.52 C ATOM 857 CG1 ILE A 52 -2.822 -4.655 4.193 1.00 52.11 C ATOM 858 CG2 ILE A 52 -4.014 -2.865 5.577 1.00 32.21 C ATOM 859 CD1 ILE A 52 -1.424 -4.060 4.227 1.00 43.23 C ATOM 0 H ILE A 52 -4.965 -4.826 1.944 1.00 53.41 H new ATOM 0 HA ILE A 52 -5.687 -4.797 4.821 1.00 64.15 H new ATOM 0 HB ILE A 52 -3.765 -2.881 3.426 1.00 61.52 H new ATOM 0 HG12 ILE A 52 -2.940 -5.323 5.046 1.00 52.11 H new ATOM 0 HG13 ILE A 52 -2.922 -5.265 3.295 1.00 52.11 H new ATOM 0 HG21 ILE A 52 -3.043 -2.410 5.774 1.00 32.21 H new ATOM 0 HG22 ILE A 52 -4.779 -2.089 5.547 1.00 32.21 H new ATOM 0 HG23 ILE A 52 -4.249 -3.576 6.369 1.00 32.21 H new ATOM 0 HD11 ILE A 52 -0.687 -4.862 4.208 1.00 43.23 H new ATOM 0 HD12 ILE A 52 -1.282 -3.416 3.359 1.00 43.23 H new ATOM 0 HD13 ILE A 52 -1.300 -3.475 5.138 1.00 43.23 H new ATOM 871 N ARG A 53 -7.511 -3.056 4.225 1.00 14.21 N ATOM 872 CA ARG A 53 -8.515 -2.007 3.951 1.00 41.31 C ATOM 873 C ARG A 53 -8.573 -1.035 5.132 1.00 2.52 C ATOM 874 O ARG A 53 -8.978 -1.409 6.240 1.00 72.12 O ATOM 875 CB ARG A 53 -9.910 -2.624 3.680 1.00 65.03 C ATOM 876 CG ARG A 53 -9.947 -3.605 2.491 1.00 74.50 C ATOM 877 CD ARG A 53 -11.374 -4.018 2.116 1.00 45.32 C ATOM 878 NE ARG A 53 -12.098 -4.621 3.249 1.00 12.24 N ATOM 879 CZ ARG A 53 -13.410 -4.448 3.501 1.00 43.12 C ATOM 880 NH1 ARG A 53 -14.172 -3.691 2.706 1.00 63.33 N ATOM 881 NH2 ARG A 53 -13.955 -5.029 4.559 1.00 73.44 N ATOM 0 H ARG A 53 -7.766 -3.687 4.985 1.00 14.21 H new ATOM 0 HA ARG A 53 -8.218 -1.464 3.054 1.00 41.31 H new ATOM 0 HB2 ARG A 53 -10.245 -3.145 4.577 1.00 65.03 H new ATOM 0 HB3 ARG A 53 -10.621 -1.819 3.495 1.00 65.03 H new ATOM 0 HG2 ARG A 53 -9.467 -3.143 1.628 1.00 74.50 H new ATOM 0 HG3 ARG A 53 -9.368 -4.494 2.740 1.00 74.50 H new ATOM 0 HD2 ARG A 53 -11.921 -3.145 1.762 1.00 45.32 H new ATOM 0 HD3 ARG A 53 -11.339 -4.729 1.290 1.00 45.32 H new ATOM 0 HE ARG A 53 -11.567 -5.212 3.889 1.00 12.24 H new ATOM 0 HH11 ARG A 53 -13.762 -3.233 1.892 1.00 63.33 H new ATOM 0 HH12 ARG A 53 -15.164 -3.572 2.913 1.00 63.33 H new ATOM 0 HH21 ARG A 53 -13.382 -5.603 5.177 1.00 73.44 H new ATOM 0 HH22 ARG A 53 -14.948 -4.902 4.756 1.00 73.44 H new ATOM 895 N VAL A 54 -8.128 0.200 4.887 1.00 62.30 N ATOM 896 CA VAL A 54 -8.132 1.305 5.863 1.00 44.50 C ATOM 897 C VAL A 54 -8.744 2.556 5.205 1.00 70.30 C ATOM 898 O VAL A 54 -8.737 2.670 3.988 1.00 12.44 O ATOM 899 CB VAL A 54 -6.680 1.628 6.379 1.00 52.15 C ATOM 900 CG1 VAL A 54 -6.084 0.453 7.188 1.00 40.20 C ATOM 901 CG2 VAL A 54 -5.743 2.030 5.220 1.00 71.52 C ATOM 0 H VAL A 54 -7.744 0.471 3.982 1.00 62.30 H new ATOM 0 HA VAL A 54 -8.728 1.002 6.724 1.00 44.50 H new ATOM 0 HB VAL A 54 -6.765 2.482 7.052 1.00 52.15 H new ATOM 0 HG11 VAL A 54 -5.082 0.716 7.526 1.00 40.20 H new ATOM 0 HG12 VAL A 54 -6.716 0.248 8.052 1.00 40.20 H new ATOM 0 HG13 VAL A 54 -6.033 -0.434 6.557 1.00 40.20 H new ATOM 0 HG21 VAL A 54 -4.750 2.246 5.613 1.00 71.52 H new ATOM 0 HG22 VAL A 54 -5.679 1.212 4.503 1.00 71.52 H new ATOM 0 HG23 VAL A 54 -6.137 2.917 4.724 1.00 71.52 H new ATOM 911 N ARG A 55 -9.357 3.454 6.004 1.00 72.44 N ATOM 912 CA ARG A 55 -9.818 4.772 5.507 1.00 1.04 C ATOM 913 C ARG A 55 -9.144 5.881 6.324 1.00 11.31 C ATOM 914 O ARG A 55 -8.082 6.390 5.934 1.00 32.44 O ATOM 915 CB ARG A 55 -11.378 4.933 5.531 1.00 63.03 C ATOM 916 CG ARG A 55 -12.180 4.004 4.566 1.00 11.13 C ATOM 917 CD ARG A 55 -12.868 2.824 5.268 1.00 51.12 C ATOM 918 NE ARG A 55 -11.915 1.905 5.903 1.00 62.11 N ATOM 919 CZ ARG A 55 -12.227 0.723 6.449 1.00 61.40 C ATOM 920 NH1 ARG A 55 -13.476 0.278 6.449 1.00 50.43 N ATOM 921 NH2 ARG A 55 -11.277 -0.014 7.003 1.00 11.22 N ATOM 0 H ARG A 55 -9.545 3.293 6.994 1.00 72.44 H new ATOM 0 HA ARG A 55 -9.528 4.847 4.459 1.00 1.04 H new ATOM 0 HB2 ARG A 55 -11.726 4.753 6.548 1.00 63.03 H new ATOM 0 HB3 ARG A 55 -11.620 5.968 5.290 1.00 63.03 H new ATOM 0 HG2 ARG A 55 -12.935 4.597 4.050 1.00 11.13 H new ATOM 0 HG3 ARG A 55 -11.503 3.617 3.804 1.00 11.13 H new ATOM 0 HD2 ARG A 55 -13.555 3.207 6.023 1.00 51.12 H new ATOM 0 HD3 ARG A 55 -13.467 2.274 4.542 1.00 51.12 H new ATOM 0 HE ARG A 55 -10.936 2.190 5.930 1.00 62.11 H new ATOM 0 HH11 ARG A 55 -14.217 0.839 6.028 1.00 50.43 H new ATOM 0 HH12 ARG A 55 -13.696 -0.625 6.869 1.00 50.43 H new ATOM 0 HH21 ARG A 55 -10.313 0.319 7.012 1.00 11.22 H new ATOM 0 HH22 ARG A 55 -11.509 -0.915 7.420 1.00 11.22 H new ATOM 935 N ASN A 56 -9.744 6.226 7.483 1.00 31.11 N ATOM 936 CA ASN A 56 -9.219 7.259 8.375 1.00 73.11 C ATOM 937 C ASN A 56 -8.201 6.619 9.322 1.00 62.25 C ATOM 938 O ASN A 56 -8.550 6.055 10.366 1.00 70.44 O ATOM 939 CB ASN A 56 -10.361 7.970 9.160 1.00 44.12 C ATOM 940 CG ASN A 56 -11.242 8.904 8.314 1.00 4.21 C ATOM 941 OD1 ASN A 56 -11.723 9.924 8.812 1.00 63.54 O ATOM 942 ND2 ASN A 56 -11.477 8.579 7.046 1.00 2.44 N ATOM 0 H ASN A 56 -10.604 5.792 7.818 1.00 31.11 H new ATOM 0 HA ASN A 56 -8.726 8.030 7.783 1.00 73.11 H new ATOM 0 HB2 ASN A 56 -10.996 7.211 9.617 1.00 44.12 H new ATOM 0 HB3 ASN A 56 -9.919 8.547 9.972 1.00 44.12 H new ATOM 0 HD21 ASN A 56 -12.065 9.178 6.466 1.00 2.44 H new ATOM 0 HD22 ASN A 56 -11.069 7.731 6.653 1.00 2.44 H new ATOM 949 N ILE A 57 -6.946 6.640 8.877 1.00 31.10 N ATOM 950 CA ILE A 57 -5.784 6.155 9.640 1.00 34.14 C ATOM 951 C ILE A 57 -4.815 7.314 9.914 1.00 71.42 C ATOM 952 O ILE A 57 -5.034 8.419 9.436 1.00 1.10 O ATOM 953 CB ILE A 57 -5.072 4.939 8.901 1.00 45.03 C ATOM 954 CG1 ILE A 57 -5.071 5.080 7.332 1.00 4.42 C ATOM 955 CG2 ILE A 57 -5.741 3.606 9.321 1.00 14.30 C ATOM 956 CD1 ILE A 57 -4.277 6.244 6.757 1.00 65.22 C ATOM 0 H ILE A 57 -6.697 7.002 7.956 1.00 31.10 H new ATOM 0 HA ILE A 57 -6.130 5.773 10.600 1.00 34.14 H new ATOM 0 HB ILE A 57 -4.027 4.947 9.211 1.00 45.03 H new ATOM 0 HG12 ILE A 57 -4.679 4.156 6.906 1.00 4.42 H new ATOM 0 HG13 ILE A 57 -6.104 5.173 6.997 1.00 4.42 H new ATOM 0 HG21 ILE A 57 -5.250 2.776 8.812 1.00 14.30 H new ATOM 0 HG22 ILE A 57 -5.648 3.476 10.399 1.00 14.30 H new ATOM 0 HG23 ILE A 57 -6.796 3.626 9.047 1.00 14.30 H new ATOM 0 HD11 ILE A 57 -4.353 6.234 5.670 1.00 65.22 H new ATOM 0 HD12 ILE A 57 -4.678 7.182 7.140 1.00 65.22 H new ATOM 0 HD13 ILE A 57 -3.231 6.150 7.049 1.00 65.22 H new ATOM 968 N SER A 58 -3.769 7.054 10.705 1.00 25.32 N ATOM 969 CA SER A 58 -2.771 8.071 11.085 1.00 73.23 C ATOM 970 C SER A 58 -1.519 7.994 10.185 1.00 13.51 C ATOM 971 O SER A 58 -1.415 7.097 9.345 1.00 72.05 O ATOM 972 CB SER A 58 -2.427 7.874 12.569 1.00 32.51 C ATOM 973 OG SER A 58 -3.579 8.015 13.384 1.00 73.32 O ATOM 0 H SER A 58 -3.586 6.133 11.103 1.00 25.32 H new ATOM 0 HA SER A 58 -3.183 9.070 10.941 1.00 73.23 H new ATOM 0 HB2 SER A 58 -1.992 6.885 12.716 1.00 32.51 H new ATOM 0 HB3 SER A 58 -1.673 8.602 12.870 1.00 32.51 H new ATOM 0 HG SER A 58 -3.333 7.883 14.323 1.00 73.32 H new ATOM 979 N LYS A 59 -0.571 8.942 10.382 1.00 12.53 N ATOM 980 CA LYS A 59 0.631 9.080 9.514 1.00 1.02 C ATOM 981 C LYS A 59 1.665 7.950 9.768 1.00 4.03 C ATOM 982 O LYS A 59 2.329 7.490 8.838 1.00 63.25 O ATOM 983 CB LYS A 59 1.290 10.500 9.637 1.00 22.43 C ATOM 984 CG LYS A 59 2.037 10.821 10.962 1.00 24.13 C ATOM 985 CD LYS A 59 1.100 10.945 12.183 1.00 40.31 C ATOM 986 CE LYS A 59 1.851 11.207 13.503 1.00 62.14 C ATOM 987 NZ LYS A 59 0.968 11.032 14.690 1.00 52.43 N ATOM 0 H LYS A 59 -0.613 9.627 11.137 1.00 12.53 H new ATOM 0 HA LYS A 59 0.284 8.976 8.486 1.00 1.02 H new ATOM 0 HB2 LYS A 59 1.995 10.618 8.814 1.00 22.43 H new ATOM 0 HB3 LYS A 59 0.510 11.248 9.499 1.00 22.43 H new ATOM 0 HG2 LYS A 59 2.771 10.038 11.155 1.00 24.13 H new ATOM 0 HG3 LYS A 59 2.589 11.753 10.842 1.00 24.13 H new ATOM 0 HD2 LYS A 59 0.392 11.756 12.008 1.00 40.31 H new ATOM 0 HD3 LYS A 59 0.518 10.029 12.280 1.00 40.31 H new ATOM 0 HE2 LYS A 59 2.700 10.527 13.579 1.00 62.14 H new ATOM 0 HE3 LYS A 59 2.254 12.220 13.496 1.00 62.14 H new ATOM 0 HZ1 LYS A 59 1.199 11.752 15.404 1.00 52.43 H new ATOM 0 HZ2 LYS A 59 -0.026 11.136 14.402 1.00 52.43 H new ATOM 0 HZ3 LYS A 59 1.114 10.085 15.094 1.00 52.43 H new ATOM 1001 N GLU A 60 1.789 7.499 11.035 1.00 10.44 N ATOM 1002 CA GLU A 60 2.649 6.343 11.393 1.00 22.41 C ATOM 1003 C GLU A 60 1.907 5.026 11.105 1.00 11.24 C ATOM 1004 O GLU A 60 2.530 3.978 10.895 1.00 24.41 O ATOM 1005 CB GLU A 60 3.111 6.385 12.882 1.00 52.10 C ATOM 1006 CG GLU A 60 1.989 6.233 13.950 1.00 33.54 C ATOM 1007 CD GLU A 60 1.348 7.564 14.369 1.00 52.02 C ATOM 1008 OE1 GLU A 60 0.484 8.068 13.637 1.00 12.44 O ATOM 1009 OE2 GLU A 60 1.722 8.128 15.414 1.00 41.13 O ATOM 0 H GLU A 60 1.305 7.916 11.830 1.00 10.44 H new ATOM 0 HA GLU A 60 3.546 6.402 10.776 1.00 22.41 H new ATOM 0 HB2 GLU A 60 3.842 5.592 13.037 1.00 52.10 H new ATOM 0 HB3 GLU A 60 3.625 7.331 13.056 1.00 52.10 H new ATOM 0 HG2 GLU A 60 1.214 5.575 13.558 1.00 33.54 H new ATOM 0 HG3 GLU A 60 2.404 5.746 14.833 1.00 33.54 H new ATOM 1016 N GLU A 61 0.570 5.090 11.115 1.00 4.45 N ATOM 1017 CA GLU A 61 -0.285 3.927 10.829 1.00 3.43 C ATOM 1018 C GLU A 61 -0.280 3.578 9.329 1.00 42.34 C ATOM 1019 O GLU A 61 -0.282 2.399 8.965 1.00 2.40 O ATOM 1020 CB GLU A 61 -1.717 4.189 11.342 1.00 51.20 C ATOM 1021 CG GLU A 61 -2.692 3.003 11.200 1.00 35.03 C ATOM 1022 CD GLU A 61 -2.247 1.730 11.950 1.00 13.15 C ATOM 1023 OE1 GLU A 61 -2.301 1.720 13.200 1.00 45.43 O ATOM 1024 OE2 GLU A 61 -1.866 0.731 11.307 1.00 0.45 O ATOM 0 H GLU A 61 0.051 5.944 11.320 1.00 4.45 H new ATOM 0 HA GLU A 61 0.120 3.063 11.356 1.00 3.43 H new ATOM 0 HB2 GLU A 61 -1.663 4.471 12.394 1.00 51.20 H new ATOM 0 HB3 GLU A 61 -2.128 5.043 10.804 1.00 51.20 H new ATOM 0 HG2 GLU A 61 -3.672 3.306 11.569 1.00 35.03 H new ATOM 0 HG3 GLU A 61 -2.809 2.767 10.142 1.00 35.03 H new ATOM 1031 N LEU A 62 -0.251 4.604 8.454 1.00 72.31 N ATOM 1032 CA LEU A 62 -0.170 4.377 6.996 1.00 32.45 C ATOM 1033 C LEU A 62 1.226 3.886 6.597 1.00 33.42 C ATOM 1034 O LEU A 62 1.382 3.202 5.578 1.00 0.15 O ATOM 1035 CB LEU A 62 -0.634 5.617 6.173 1.00 13.40 C ATOM 1036 CG LEU A 62 0.108 6.989 6.379 1.00 53.01 C ATOM 1037 CD1 LEU A 62 1.451 7.066 5.610 1.00 32.53 C ATOM 1038 CD2 LEU A 62 -0.813 8.178 6.002 1.00 53.23 C ATOM 0 H LEU A 62 -0.282 5.586 8.727 1.00 72.31 H new ATOM 0 HA LEU A 62 -0.874 3.584 6.746 1.00 32.45 H new ATOM 0 HB2 LEU A 62 -0.560 5.358 5.117 1.00 13.40 H new ATOM 0 HB3 LEU A 62 -1.690 5.778 6.388 1.00 13.40 H new ATOM 0 HG LEU A 62 0.350 7.057 7.440 1.00 53.01 H new ATOM 0 HD11 LEU A 62 1.918 8.034 5.789 1.00 32.53 H new ATOM 0 HD12 LEU A 62 2.114 6.273 5.956 1.00 32.53 H new ATOM 0 HD13 LEU A 62 1.267 6.944 4.543 1.00 32.53 H new ATOM 0 HD21 LEU A 62 -0.277 9.115 6.153 1.00 53.23 H new ATOM 0 HD22 LEU A 62 -1.107 8.093 4.956 1.00 53.23 H new ATOM 0 HD23 LEU A 62 -1.703 8.163 6.632 1.00 53.23 H new ATOM 1050 N LYS A 63 2.234 4.210 7.437 1.00 45.34 N ATOM 1051 CA LYS A 63 3.567 3.610 7.325 1.00 32.33 C ATOM 1052 C LYS A 63 3.480 2.083 7.428 1.00 44.10 C ATOM 1053 O LYS A 63 4.210 1.385 6.731 1.00 20.13 O ATOM 1054 CB LYS A 63 4.555 4.161 8.398 1.00 34.24 C ATOM 1055 CG LYS A 63 5.122 5.567 8.111 1.00 11.41 C ATOM 1056 CD LYS A 63 5.888 5.638 6.768 1.00 11.02 C ATOM 1057 CE LYS A 63 6.988 4.565 6.617 1.00 54.01 C ATOM 1058 NZ LYS A 63 8.050 4.671 7.651 1.00 52.12 N ATOM 0 H LYS A 63 2.142 4.884 8.197 1.00 45.34 H new ATOM 0 HA LYS A 63 3.958 3.885 6.346 1.00 32.33 H new ATOM 0 HB2 LYS A 63 4.045 4.182 9.361 1.00 34.24 H new ATOM 0 HB3 LYS A 63 5.387 3.464 8.494 1.00 34.24 H new ATOM 0 HG2 LYS A 63 4.305 6.288 8.097 1.00 11.41 H new ATOM 0 HG3 LYS A 63 5.790 5.858 8.922 1.00 11.41 H new ATOM 0 HD2 LYS A 63 5.176 5.532 5.949 1.00 11.02 H new ATOM 0 HD3 LYS A 63 6.341 6.625 6.671 1.00 11.02 H new ATOM 0 HE2 LYS A 63 6.533 3.576 6.672 1.00 54.01 H new ATOM 0 HE3 LYS A 63 7.440 4.653 5.629 1.00 54.01 H new ATOM 0 HZ1 LYS A 63 8.759 3.926 7.498 1.00 52.12 H new ATOM 0 HZ2 LYS A 63 8.507 5.603 7.585 1.00 52.12 H new ATOM 0 HZ3 LYS A 63 7.628 4.559 8.595 1.00 52.12 H new ATOM 1072 N LYS A 64 2.540 1.575 8.259 1.00 34.21 N ATOM 1073 CA LYS A 64 2.362 0.130 8.429 1.00 75.20 C ATOM 1074 C LYS A 64 1.930 -0.525 7.112 1.00 50.24 C ATOM 1075 O LYS A 64 2.380 -1.621 6.817 1.00 14.33 O ATOM 1076 CB LYS A 64 1.352 -0.217 9.561 1.00 12.20 C ATOM 1077 CG LYS A 64 1.725 0.318 10.967 1.00 0.32 C ATOM 1078 CD LYS A 64 3.193 0.036 11.367 1.00 11.23 C ATOM 1079 CE LYS A 64 3.579 -1.454 11.322 1.00 13.32 C ATOM 1080 NZ LYS A 64 5.053 -1.638 11.449 1.00 22.14 N ATOM 0 H LYS A 64 1.903 2.146 8.814 1.00 34.21 H new ATOM 0 HA LYS A 64 3.331 -0.272 8.726 1.00 75.20 H new ATOM 0 HB2 LYS A 64 0.374 0.179 9.287 1.00 12.20 H new ATOM 0 HB3 LYS A 64 1.253 -1.301 9.617 1.00 12.20 H new ATOM 0 HG2 LYS A 64 1.549 1.393 10.996 1.00 0.32 H new ATOM 0 HG3 LYS A 64 1.063 -0.133 11.706 1.00 0.32 H new ATOM 0 HD2 LYS A 64 3.853 0.592 10.702 1.00 11.23 H new ATOM 0 HD3 LYS A 64 3.363 0.415 12.375 1.00 11.23 H new ATOM 0 HE2 LYS A 64 3.074 -1.987 12.127 1.00 13.32 H new ATOM 0 HE3 LYS A 64 3.235 -1.892 10.385 1.00 13.32 H new ATOM 0 HZ1 LYS A 64 5.312 -2.594 11.133 1.00 22.14 H new ATOM 0 HZ2 LYS A 64 5.543 -0.934 10.860 1.00 22.14 H new ATOM 0 HZ3 LYS A 64 5.334 -1.514 12.443 1.00 22.14 H new ATOM 1094 N LEU A 65 1.133 0.207 6.297 1.00 15.11 N ATOM 1095 CA LEU A 65 0.551 -0.321 5.037 1.00 53.20 C ATOM 1096 C LEU A 65 1.653 -0.837 4.090 1.00 4.55 C ATOM 1097 O LEU A 65 1.580 -1.952 3.559 1.00 24.42 O ATOM 1098 CB LEU A 65 -0.271 0.788 4.333 1.00 64.40 C ATOM 1099 CG LEU A 65 -1.456 1.396 5.135 1.00 14.24 C ATOM 1100 CD1 LEU A 65 -2.177 2.489 4.315 1.00 1.31 C ATOM 1101 CD2 LEU A 65 -2.429 0.304 5.599 1.00 34.22 C ATOM 0 H LEU A 65 0.876 1.175 6.492 1.00 15.11 H new ATOM 0 HA LEU A 65 -0.103 -1.157 5.287 1.00 53.20 H new ATOM 0 HB2 LEU A 65 0.409 1.597 4.065 1.00 64.40 H new ATOM 0 HB3 LEU A 65 -0.664 0.380 3.402 1.00 64.40 H new ATOM 0 HG LEU A 65 -1.050 1.870 6.028 1.00 14.24 H new ATOM 0 HD11 LEU A 65 -3.002 2.898 4.899 1.00 1.31 H new ATOM 0 HD12 LEU A 65 -1.474 3.286 4.073 1.00 1.31 H new ATOM 0 HD13 LEU A 65 -2.565 2.056 3.393 1.00 1.31 H new ATOM 0 HD21 LEU A 65 -3.247 0.759 6.157 1.00 34.22 H new ATOM 0 HD22 LEU A 65 -2.829 -0.220 4.731 1.00 34.22 H new ATOM 0 HD23 LEU A 65 -1.903 -0.404 6.239 1.00 34.22 H new ATOM 1113 N LEU A 66 2.690 -0.003 3.930 1.00 61.40 N ATOM 1114 CA LEU A 66 3.826 -0.283 3.047 1.00 34.01 C ATOM 1115 C LEU A 66 4.869 -1.179 3.745 1.00 55.42 C ATOM 1116 O LEU A 66 5.590 -1.925 3.079 1.00 10.32 O ATOM 1117 CB LEU A 66 4.424 1.063 2.549 1.00 63.21 C ATOM 1118 CG LEU A 66 4.891 2.080 3.660 1.00 13.42 C ATOM 1119 CD1 LEU A 66 6.379 1.910 4.024 1.00 12.21 C ATOM 1120 CD2 LEU A 66 4.578 3.537 3.277 1.00 22.51 C ATOM 0 H LEU A 66 2.763 0.892 4.415 1.00 61.40 H new ATOM 0 HA LEU A 66 3.487 -0.846 2.177 1.00 34.01 H new ATOM 0 HB2 LEU A 66 5.278 0.841 1.909 1.00 63.21 H new ATOM 0 HB3 LEU A 66 3.679 1.557 1.926 1.00 63.21 H new ATOM 0 HG LEU A 66 4.312 1.842 4.552 1.00 13.42 H new ATOM 0 HD11 LEU A 66 6.650 2.633 4.793 1.00 12.21 H new ATOM 0 HD12 LEU A 66 6.549 0.901 4.399 1.00 12.21 H new ATOM 0 HD13 LEU A 66 6.992 2.075 3.138 1.00 12.21 H new ATOM 0 HD21 LEU A 66 4.917 4.203 4.071 1.00 22.51 H new ATOM 0 HD22 LEU A 66 5.092 3.788 2.349 1.00 22.51 H new ATOM 0 HD23 LEU A 66 3.503 3.654 3.139 1.00 22.51 H new ATOM 1132 N GLU A 67 4.936 -1.116 5.095 1.00 64.45 N ATOM 1133 CA GLU A 67 5.854 -1.975 5.882 1.00 2.33 C ATOM 1134 C GLU A 67 5.403 -3.440 5.862 1.00 0.14 C ATOM 1135 O GLU A 67 6.229 -4.332 6.006 1.00 1.12 O ATOM 1136 CB GLU A 67 6.005 -1.480 7.342 1.00 52.43 C ATOM 1137 CG GLU A 67 6.771 -0.150 7.470 1.00 50.45 C ATOM 1138 CD GLU A 67 6.938 0.303 8.920 1.00 4.04 C ATOM 1139 OE1 GLU A 67 5.920 0.616 9.561 1.00 24.15 O ATOM 1140 OE2 GLU A 67 8.079 0.346 9.437 1.00 34.14 O ATOM 0 H GLU A 67 4.369 -0.484 5.660 1.00 64.45 H new ATOM 0 HA GLU A 67 6.831 -1.907 5.404 1.00 2.33 H new ATOM 0 HB2 GLU A 67 5.014 -1.362 7.780 1.00 52.43 H new ATOM 0 HB3 GLU A 67 6.522 -2.244 7.923 1.00 52.43 H new ATOM 0 HG2 GLU A 67 7.755 -0.258 7.013 1.00 50.45 H new ATOM 0 HG3 GLU A 67 6.243 0.623 6.912 1.00 50.45 H new ATOM 1147 N ARG A 68 4.092 -3.678 5.673 1.00 3.11 N ATOM 1148 CA ARG A 68 3.557 -5.036 5.471 1.00 30.32 C ATOM 1149 C ARG A 68 4.100 -5.591 4.141 1.00 44.04 C ATOM 1150 O ARG A 68 4.535 -6.738 4.079 1.00 15.42 O ATOM 1151 CB ARG A 68 2.002 -5.020 5.453 1.00 12.31 C ATOM 1152 CG ARG A 68 1.322 -4.400 6.707 1.00 25.14 C ATOM 1153 CD ARG A 68 1.008 -5.380 7.845 1.00 64.22 C ATOM 1154 NE ARG A 68 2.190 -6.005 8.459 1.00 44.02 N ATOM 1155 CZ ARG A 68 2.147 -7.034 9.322 1.00 55.43 C ATOM 1156 NH1 ARG A 68 0.983 -7.589 9.676 1.00 61.12 N ATOM 1157 NH2 ARG A 68 3.266 -7.507 9.844 1.00 21.20 N ATOM 0 H ARG A 68 3.383 -2.945 5.656 1.00 3.11 H new ATOM 0 HA ARG A 68 3.874 -5.674 6.295 1.00 30.32 H new ATOM 0 HB2 ARG A 68 1.672 -4.468 4.573 1.00 12.31 H new ATOM 0 HB3 ARG A 68 1.647 -6.044 5.338 1.00 12.31 H new ATOM 0 HG2 ARG A 68 1.968 -3.614 7.097 1.00 25.14 H new ATOM 0 HG3 ARG A 68 0.393 -3.923 6.396 1.00 25.14 H new ATOM 0 HD2 ARG A 68 0.450 -4.852 8.618 1.00 64.22 H new ATOM 0 HD3 ARG A 68 0.356 -6.165 7.461 1.00 64.22 H new ATOM 0 HE ARG A 68 3.106 -5.631 8.212 1.00 44.02 H new ATOM 0 HH11 ARG A 68 0.109 -7.232 9.290 1.00 61.12 H new ATOM 0 HH12 ARG A 68 0.969 -8.370 10.332 1.00 61.12 H new ATOM 0 HH21 ARG A 68 4.162 -7.091 9.592 1.00 21.20 H new ATOM 0 HH22 ARG A 68 3.233 -8.288 10.499 1.00 21.20 H new ATOM 1171 N ILE A 69 4.109 -4.719 3.104 1.00 53.42 N ATOM 1172 CA ILE A 69 4.572 -5.060 1.739 1.00 62.45 C ATOM 1173 C ILE A 69 6.051 -5.476 1.740 1.00 64.12 C ATOM 1174 O ILE A 69 6.405 -6.512 1.155 1.00 12.50 O ATOM 1175 CB ILE A 69 4.401 -3.856 0.734 1.00 0.33 C ATOM 1176 CG1 ILE A 69 2.942 -3.323 0.750 1.00 20.34 C ATOM 1177 CG2 ILE A 69 4.837 -4.250 -0.705 1.00 31.40 C ATOM 1178 CD1 ILE A 69 2.717 -2.111 -0.126 1.00 42.34 C ATOM 0 H ILE A 69 3.793 -3.753 3.193 1.00 53.42 H new ATOM 0 HA ILE A 69 3.949 -5.892 1.411 1.00 62.45 H new ATOM 0 HB ILE A 69 5.058 -3.052 1.066 1.00 0.33 H new ATOM 0 HG12 ILE A 69 2.272 -4.120 0.428 1.00 20.34 H new ATOM 0 HG13 ILE A 69 2.669 -3.072 1.775 1.00 20.34 H new ATOM 0 HG21 ILE A 69 4.706 -3.397 -1.371 1.00 31.40 H new ATOM 0 HG22 ILE A 69 5.885 -4.548 -0.699 1.00 31.40 H new ATOM 0 HG23 ILE A 69 4.226 -5.082 -1.056 1.00 31.40 H new ATOM 0 HD11 ILE A 69 1.674 -1.802 -0.059 1.00 42.34 H new ATOM 0 HD12 ILE A 69 3.359 -1.296 0.208 1.00 42.34 H new ATOM 0 HD13 ILE A 69 2.955 -2.360 -1.160 1.00 42.34 H new ATOM 1190 N ARG A 70 6.906 -4.659 2.420 1.00 53.32 N ATOM 1191 CA ARG A 70 8.364 -4.896 2.446 1.00 51.21 C ATOM 1192 C ARG A 70 8.660 -6.284 3.038 1.00 51.30 C ATOM 1193 O ARG A 70 9.519 -6.992 2.544 1.00 70.12 O ATOM 1194 CB ARG A 70 9.156 -3.792 3.219 1.00 22.03 C ATOM 1195 CG ARG A 70 9.037 -3.861 4.755 1.00 63.10 C ATOM 1196 CD ARG A 70 9.915 -2.852 5.501 1.00 2.25 C ATOM 1197 NE ARG A 70 9.761 -2.991 6.959 1.00 75.14 N ATOM 1198 CZ ARG A 70 9.823 -1.995 7.854 1.00 23.11 C ATOM 1199 NH1 ARG A 70 10.050 -0.743 7.469 1.00 60.54 N ATOM 1200 NH2 ARG A 70 9.619 -2.246 9.141 1.00 35.52 N ATOM 0 H ARG A 70 6.606 -3.841 2.950 1.00 53.32 H new ATOM 0 HA ARG A 70 8.709 -4.853 1.413 1.00 51.21 H new ATOM 0 HB2 ARG A 70 10.209 -3.864 2.947 1.00 22.03 H new ATOM 0 HB3 ARG A 70 8.807 -2.815 2.886 1.00 22.03 H new ATOM 0 HG2 ARG A 70 7.996 -3.696 5.035 1.00 63.10 H new ATOM 0 HG3 ARG A 70 9.300 -4.867 5.083 1.00 63.10 H new ATOM 0 HD2 ARG A 70 10.959 -3.001 5.227 1.00 2.25 H new ATOM 0 HD3 ARG A 70 9.648 -1.839 5.199 1.00 2.25 H new ATOM 0 HE ARG A 70 9.592 -3.930 7.320 1.00 75.14 H new ATOM 0 HH11 ARG A 70 10.180 -0.529 6.480 1.00 60.54 H new ATOM 0 HH12 ARG A 70 10.094 0.004 8.162 1.00 60.54 H new ATOM 0 HH21 ARG A 70 9.415 -3.197 9.449 1.00 35.52 H new ATOM 0 HH22 ARG A 70 9.666 -1.488 9.822 1.00 35.52 H new ATOM 1214 N GLU A 71 7.867 -6.673 4.063 1.00 20.45 N ATOM 1215 CA GLU A 71 7.968 -7.991 4.710 1.00 14.44 C ATOM 1216 C GLU A 71 7.747 -9.110 3.689 1.00 20.24 C ATOM 1217 O GLU A 71 8.492 -10.100 3.672 1.00 61.34 O ATOM 1218 CB GLU A 71 6.927 -8.103 5.842 1.00 13.22 C ATOM 1219 CG GLU A 71 7.150 -7.132 6.999 1.00 71.04 C ATOM 1220 CD GLU A 71 6.036 -7.193 8.042 1.00 71.10 C ATOM 1221 OE1 GLU A 71 5.942 -8.208 8.763 1.00 35.10 O ATOM 1222 OE2 GLU A 71 5.238 -6.239 8.146 1.00 21.30 O ATOM 0 H GLU A 71 7.141 -6.078 4.461 1.00 20.45 H new ATOM 0 HA GLU A 71 8.969 -8.095 5.130 1.00 14.44 H new ATOM 0 HB2 GLU A 71 5.935 -7.932 5.425 1.00 13.22 H new ATOM 0 HB3 GLU A 71 6.938 -9.121 6.230 1.00 13.22 H new ATOM 0 HG2 GLU A 71 8.103 -7.356 7.478 1.00 71.04 H new ATOM 0 HG3 GLU A 71 7.221 -6.117 6.608 1.00 71.04 H new ATOM 1229 N LYS A 72 6.748 -8.903 2.803 1.00 13.02 N ATOM 1230 CA LYS A 72 6.339 -9.908 1.815 1.00 44.23 C ATOM 1231 C LYS A 72 7.479 -10.122 0.800 1.00 34.55 C ATOM 1232 O LYS A 72 7.950 -11.246 0.630 1.00 65.24 O ATOM 1233 CB LYS A 72 5.032 -9.493 1.072 1.00 33.41 C ATOM 1234 CG LYS A 72 3.896 -8.939 1.950 1.00 24.21 C ATOM 1235 CD LYS A 72 3.472 -9.867 3.114 1.00 11.44 C ATOM 1236 CE LYS A 72 2.337 -9.243 3.946 1.00 2.44 C ATOM 1237 NZ LYS A 72 1.860 -10.143 5.027 1.00 31.25 N ATOM 0 H LYS A 72 6.210 -8.038 2.758 1.00 13.02 H new ATOM 0 HA LYS A 72 6.132 -10.838 2.344 1.00 44.23 H new ATOM 0 HB2 LYS A 72 5.287 -8.740 0.326 1.00 33.41 H new ATOM 0 HB3 LYS A 72 4.655 -10.361 0.532 1.00 33.41 H new ATOM 0 HG2 LYS A 72 4.208 -7.980 2.363 1.00 24.21 H new ATOM 0 HG3 LYS A 72 3.027 -8.748 1.320 1.00 24.21 H new ATOM 0 HD2 LYS A 72 3.147 -10.828 2.715 1.00 11.44 H new ATOM 0 HD3 LYS A 72 4.331 -10.063 3.756 1.00 11.44 H new ATOM 0 HE2 LYS A 72 2.685 -8.307 4.384 1.00 2.44 H new ATOM 0 HE3 LYS A 72 1.503 -8.997 3.289 1.00 2.44 H new ATOM 0 HZ1 LYS A 72 0.831 -10.267 4.947 1.00 31.25 H new ATOM 0 HZ2 LYS A 72 2.328 -11.068 4.940 1.00 31.25 H new ATOM 0 HZ3 LYS A 72 2.087 -9.725 5.952 1.00 31.25 H new ATOM 1251 N ILE A 73 7.957 -9.020 0.181 1.00 21.05 N ATOM 1252 CA ILE A 73 9.003 -9.083 -0.861 1.00 61.12 C ATOM 1253 C ILE A 73 10.358 -9.563 -0.294 1.00 44.44 C ATOM 1254 O ILE A 73 11.126 -10.231 -1.002 1.00 32.24 O ATOM 1255 CB ILE A 73 9.143 -7.719 -1.677 1.00 1.11 C ATOM 1256 CG1 ILE A 73 9.401 -6.477 -0.755 1.00 72.03 C ATOM 1257 CG2 ILE A 73 7.897 -7.479 -2.560 1.00 2.24 C ATOM 1258 CD1 ILE A 73 10.851 -6.234 -0.391 1.00 60.02 C ATOM 0 H ILE A 73 7.633 -8.075 0.386 1.00 21.05 H new ATOM 0 HA ILE A 73 8.674 -9.834 -1.579 1.00 61.12 H new ATOM 0 HB ILE A 73 10.021 -7.830 -2.313 1.00 1.11 H new ATOM 0 HG12 ILE A 73 9.014 -5.588 -1.253 1.00 72.03 H new ATOM 0 HG13 ILE A 73 8.828 -6.602 0.164 1.00 72.03 H new ATOM 0 HG21 ILE A 73 8.014 -6.544 -3.107 1.00 2.24 H new ATOM 0 HG22 ILE A 73 7.788 -8.302 -3.267 1.00 2.24 H new ATOM 0 HG23 ILE A 73 7.010 -7.422 -1.929 1.00 2.24 H new ATOM 0 HD11 ILE A 73 10.923 -5.354 0.248 1.00 60.02 H new ATOM 0 HD12 ILE A 73 11.243 -7.101 0.140 1.00 60.02 H new ATOM 0 HD13 ILE A 73 11.432 -6.072 -1.299 1.00 60.02 H new ATOM 1270 N GLU A 74 10.646 -9.232 0.993 1.00 51.11 N ATOM 1271 CA GLU A 74 11.881 -9.679 1.676 1.00 54.04 C ATOM 1272 C GLU A 74 11.890 -11.213 1.817 1.00 14.01 C ATOM 1273 O GLU A 74 12.885 -11.867 1.483 1.00 14.12 O ATOM 1274 CB GLU A 74 12.061 -9.013 3.079 1.00 10.01 C ATOM 1275 CG GLU A 74 12.458 -7.513 3.074 1.00 21.35 C ATOM 1276 CD GLU A 74 13.831 -7.218 2.436 1.00 13.22 C ATOM 1277 OE1 GLU A 74 13.898 -6.506 1.407 1.00 22.22 O ATOM 1278 OE2 GLU A 74 14.853 -7.699 2.967 1.00 13.25 O ATOM 0 H GLU A 74 10.037 -8.657 1.575 1.00 51.11 H new ATOM 0 HA GLU A 74 12.720 -9.364 1.056 1.00 54.04 H new ATOM 0 HB2 GLU A 74 11.128 -9.120 3.632 1.00 10.01 H new ATOM 0 HB3 GLU A 74 12.822 -9.568 3.628 1.00 10.01 H new ATOM 0 HG2 GLU A 74 11.694 -6.950 2.539 1.00 21.35 H new ATOM 0 HG3 GLU A 74 12.462 -7.148 4.101 1.00 21.35 H new ATOM 1285 N ARG A 75 10.762 -11.782 2.294 1.00 22.03 N ATOM 1286 CA ARG A 75 10.678 -13.221 2.629 1.00 51.43 C ATOM 1287 C ARG A 75 10.609 -14.116 1.366 1.00 43.13 C ATOM 1288 O ARG A 75 11.151 -15.226 1.373 1.00 45.44 O ATOM 1289 CB ARG A 75 9.479 -13.494 3.588 1.00 25.21 C ATOM 1290 CG ARG A 75 8.080 -13.230 2.993 1.00 53.13 C ATOM 1291 CD ARG A 75 6.944 -13.376 4.019 1.00 41.21 C ATOM 1292 NE ARG A 75 7.087 -12.440 5.152 1.00 54.43 N ATOM 1293 CZ ARG A 75 6.082 -11.948 5.896 1.00 42.21 C ATOM 1294 NH1 ARG A 75 4.810 -12.282 5.647 1.00 41.44 N ATOM 1295 NH2 ARG A 75 6.365 -11.143 6.915 1.00 12.32 N ATOM 0 H ARG A 75 9.897 -11.267 2.456 1.00 22.03 H new ATOM 0 HA ARG A 75 11.599 -13.488 3.148 1.00 51.43 H new ATOM 0 HB2 ARG A 75 9.526 -14.533 3.914 1.00 25.21 H new ATOM 0 HB3 ARG A 75 9.599 -12.875 4.477 1.00 25.21 H new ATOM 0 HG2 ARG A 75 8.055 -12.224 2.575 1.00 53.13 H new ATOM 0 HG3 ARG A 75 7.907 -13.922 2.169 1.00 53.13 H new ATOM 0 HD2 ARG A 75 5.988 -13.202 3.526 1.00 41.21 H new ATOM 0 HD3 ARG A 75 6.927 -14.399 4.396 1.00 41.21 H new ATOM 0 HE ARG A 75 8.032 -12.140 5.391 1.00 54.43 H new ATOM 0 HH11 ARG A 75 4.591 -12.920 4.882 1.00 41.44 H new ATOM 0 HH12 ARG A 75 4.060 -11.899 6.222 1.00 41.44 H new ATOM 0 HH21 ARG A 75 7.335 -10.906 7.124 1.00 12.32 H new ATOM 0 HH22 ARG A 75 5.612 -10.762 7.488 1.00 12.32 H new ATOM 1309 N GLU A 76 9.953 -13.624 0.281 1.00 14.21 N ATOM 1310 CA GLU A 76 9.819 -14.396 -0.979 1.00 24.12 C ATOM 1311 C GLU A 76 11.108 -14.304 -1.816 1.00 70.50 C ATOM 1312 O GLU A 76 11.697 -15.337 -2.164 1.00 0.51 O ATOM 1313 CB GLU A 76 8.525 -13.993 -1.784 1.00 61.43 C ATOM 1314 CG GLU A 76 8.305 -12.488 -2.097 1.00 34.02 C ATOM 1315 CD GLU A 76 8.790 -12.018 -3.479 1.00 51.41 C ATOM 1316 OE1 GLU A 76 8.165 -12.403 -4.493 1.00 11.24 O ATOM 1317 OE2 GLU A 76 9.781 -11.260 -3.562 1.00 51.52 O ATOM 0 H GLU A 76 9.513 -12.704 0.255 1.00 14.21 H new ATOM 0 HA GLU A 76 9.685 -15.447 -0.721 1.00 24.12 H new ATOM 0 HB2 GLU A 76 8.538 -14.533 -2.731 1.00 61.43 H new ATOM 0 HB3 GLU A 76 7.659 -14.349 -1.226 1.00 61.43 H new ATOM 0 HG2 GLU A 76 7.240 -12.270 -2.012 1.00 34.02 H new ATOM 0 HG3 GLU A 76 8.813 -11.899 -1.334 1.00 34.02 H new ATOM 1324 N GLY A 77 11.562 -13.062 -2.091 1.00 51.31 N ATOM 1325 CA GLY A 77 12.774 -12.814 -2.891 1.00 72.42 C ATOM 1326 C GLY A 77 12.726 -13.436 -4.283 1.00 2.41 C ATOM 1327 O GLY A 77 13.747 -13.900 -4.805 1.00 44.53 O ATOM 0 H GLY A 77 11.101 -12.212 -1.766 1.00 51.31 H new ATOM 0 HA2 GLY A 77 12.921 -11.738 -2.988 1.00 72.42 H new ATOM 0 HA3 GLY A 77 13.639 -13.207 -2.356 1.00 72.42 H new ATOM 1331 N SER A 78 11.524 -13.447 -4.863 1.00 64.23 N ATOM 1332 CA SER A 78 11.238 -14.067 -6.161 1.00 43.12 C ATOM 1333 C SER A 78 11.206 -12.981 -7.257 1.00 23.44 C ATOM 1334 O SER A 78 11.721 -11.868 -7.050 1.00 72.45 O ATOM 1335 CB SER A 78 9.888 -14.827 -6.050 1.00 74.44 C ATOM 1336 OG SER A 78 9.591 -15.582 -7.214 1.00 45.34 O ATOM 0 H SER A 78 10.704 -13.016 -4.435 1.00 64.23 H new ATOM 0 HA SER A 78 12.015 -14.780 -6.437 1.00 43.12 H new ATOM 0 HB2 SER A 78 9.920 -15.493 -5.188 1.00 74.44 H new ATOM 0 HB3 SER A 78 9.086 -14.111 -5.871 1.00 74.44 H new ATOM 0 HG SER A 78 8.621 -15.605 -7.351 1.00 45.34 H new ATOM 1342 N SER A 79 10.637 -13.301 -8.434 1.00 63.15 N ATOM 1343 CA SER A 79 10.535 -12.362 -9.558 1.00 31.33 C ATOM 1344 C SER A 79 9.097 -12.352 -10.117 1.00 1.05 C ATOM 1345 O SER A 79 8.880 -12.535 -11.320 1.00 12.14 O ATOM 1346 CB SER A 79 11.586 -12.730 -10.639 1.00 53.21 C ATOM 1347 OG SER A 79 12.903 -12.721 -10.098 1.00 40.12 O ATOM 0 H SER A 79 10.236 -14.218 -8.629 1.00 63.15 H new ATOM 0 HA SER A 79 10.751 -11.349 -9.217 1.00 31.33 H new ATOM 0 HB2 SER A 79 11.364 -13.716 -11.046 1.00 53.21 H new ATOM 0 HB3 SER A 79 11.524 -12.023 -11.466 1.00 53.21 H new ATOM 0 HG SER A 79 13.546 -12.958 -10.799 1.00 40.12 H new ATOM 1353 N GLU A 80 8.114 -12.160 -9.218 1.00 24.24 N ATOM 1354 CA GLU A 80 6.708 -11.933 -9.596 1.00 73.05 C ATOM 1355 C GLU A 80 5.997 -11.209 -8.442 1.00 53.35 C ATOM 1356 O GLU A 80 5.650 -11.822 -7.426 1.00 14.34 O ATOM 1357 CB GLU A 80 5.975 -13.263 -9.973 1.00 21.31 C ATOM 1358 CG GLU A 80 4.504 -13.078 -10.430 1.00 72.43 C ATOM 1359 CD GLU A 80 3.833 -14.376 -10.923 1.00 54.40 C ATOM 1360 OE1 GLU A 80 3.376 -15.180 -10.088 1.00 35.33 O ATOM 1361 OE2 GLU A 80 3.749 -14.601 -12.147 1.00 20.00 O ATOM 0 H GLU A 80 8.272 -12.158 -8.210 1.00 24.24 H new ATOM 0 HA GLU A 80 6.681 -11.311 -10.491 1.00 73.05 H new ATOM 0 HB2 GLU A 80 6.531 -13.756 -10.770 1.00 21.31 H new ATOM 0 HB3 GLU A 80 5.994 -13.930 -9.111 1.00 21.31 H new ATOM 0 HG2 GLU A 80 3.924 -12.674 -9.600 1.00 72.43 H new ATOM 0 HG3 GLU A 80 4.473 -12.338 -11.230 1.00 72.43 H new ATOM 1368 N VAL A 81 5.820 -9.888 -8.601 1.00 72.35 N ATOM 1369 CA VAL A 81 5.216 -9.010 -7.584 1.00 12.31 C ATOM 1370 C VAL A 81 4.264 -7.998 -8.253 1.00 54.02 C ATOM 1371 O VAL A 81 4.540 -7.480 -9.348 1.00 53.42 O ATOM 1372 CB VAL A 81 6.313 -8.258 -6.730 1.00 11.12 C ATOM 1373 CG1 VAL A 81 7.262 -7.423 -7.620 1.00 61.45 C ATOM 1374 CG2 VAL A 81 5.673 -7.386 -5.615 1.00 65.24 C ATOM 0 H VAL A 81 6.095 -9.393 -9.449 1.00 72.35 H new ATOM 0 HA VAL A 81 4.646 -9.638 -6.900 1.00 12.31 H new ATOM 0 HB VAL A 81 6.916 -9.024 -6.242 1.00 11.12 H new ATOM 0 HG11 VAL A 81 8.001 -6.922 -6.994 1.00 61.45 H new ATOM 0 HG12 VAL A 81 7.770 -8.080 -8.326 1.00 61.45 H new ATOM 0 HG13 VAL A 81 6.685 -6.678 -8.168 1.00 61.45 H new ATOM 0 HG21 VAL A 81 6.458 -6.885 -5.049 1.00 65.24 H new ATOM 0 HG22 VAL A 81 5.019 -6.640 -6.067 1.00 65.24 H new ATOM 0 HG23 VAL A 81 5.092 -8.020 -4.945 1.00 65.24 H new ATOM 1384 N GLU A 82 3.138 -7.759 -7.583 1.00 24.23 N ATOM 1385 CA GLU A 82 2.129 -6.777 -7.965 1.00 34.41 C ATOM 1386 C GLU A 82 1.575 -6.143 -6.676 1.00 51.34 C ATOM 1387 O GLU A 82 1.374 -6.846 -5.681 1.00 40.31 O ATOM 1388 CB GLU A 82 1.004 -7.466 -8.784 1.00 31.01 C ATOM 1389 CG GLU A 82 -0.207 -6.574 -9.117 1.00 54.43 C ATOM 1390 CD GLU A 82 0.156 -5.384 -10.018 1.00 11.12 C ATOM 1391 OE1 GLU A 82 0.382 -5.600 -11.230 1.00 13.12 O ATOM 1392 OE2 GLU A 82 0.202 -4.242 -9.525 1.00 44.12 O ATOM 0 H GLU A 82 2.896 -8.262 -6.729 1.00 24.23 H new ATOM 0 HA GLU A 82 2.562 -6.000 -8.595 1.00 34.41 H new ATOM 0 HB2 GLU A 82 1.430 -7.835 -9.717 1.00 31.01 H new ATOM 0 HB3 GLU A 82 0.652 -8.335 -8.228 1.00 31.01 H new ATOM 0 HG2 GLU A 82 -0.971 -7.176 -9.609 1.00 54.43 H new ATOM 0 HG3 GLU A 82 -0.643 -6.202 -8.190 1.00 54.43 H new ATOM 1399 N VAL A 83 1.353 -4.823 -6.687 1.00 1.42 N ATOM 1400 CA VAL A 83 0.774 -4.080 -5.550 1.00 23.04 C ATOM 1401 C VAL A 83 -0.343 -3.169 -6.083 1.00 41.10 C ATOM 1402 O VAL A 83 -0.074 -2.194 -6.780 1.00 11.33 O ATOM 1403 CB VAL A 83 1.854 -3.206 -4.788 1.00 54.32 C ATOM 1404 CG1 VAL A 83 1.218 -2.438 -3.603 1.00 41.32 C ATOM 1405 CG2 VAL A 83 3.057 -4.059 -4.313 1.00 2.33 C ATOM 0 H VAL A 83 1.570 -4.232 -7.489 1.00 1.42 H new ATOM 0 HA VAL A 83 0.383 -4.802 -4.833 1.00 23.04 H new ATOM 0 HB VAL A 83 2.235 -2.475 -5.501 1.00 54.32 H new ATOM 0 HG11 VAL A 83 1.983 -1.847 -3.100 1.00 41.32 H new ATOM 0 HG12 VAL A 83 0.436 -1.777 -3.976 1.00 41.32 H new ATOM 0 HG13 VAL A 83 0.786 -3.149 -2.898 1.00 41.32 H new ATOM 0 HG21 VAL A 83 3.774 -3.421 -3.796 1.00 2.33 H new ATOM 0 HG22 VAL A 83 2.706 -4.836 -3.634 1.00 2.33 H new ATOM 0 HG23 VAL A 83 3.539 -4.521 -5.175 1.00 2.33 H new ATOM 1415 N ASN A 84 -1.596 -3.498 -5.763 1.00 74.13 N ATOM 1416 CA ASN A 84 -2.762 -2.713 -6.179 1.00 5.31 C ATOM 1417 C ASN A 84 -3.271 -1.886 -5.001 1.00 35.53 C ATOM 1418 O ASN A 84 -3.809 -2.439 -4.039 1.00 11.31 O ATOM 1419 CB ASN A 84 -3.890 -3.636 -6.715 1.00 23.50 C ATOM 1420 CG ASN A 84 -3.505 -4.467 -7.944 1.00 3.31 C ATOM 1421 OD1 ASN A 84 -4.053 -5.546 -8.171 1.00 31.21 O ATOM 1422 ND2 ASN A 84 -2.563 -3.992 -8.748 1.00 4.31 N ATOM 0 H ASN A 84 -1.832 -4.319 -5.206 1.00 74.13 H new ATOM 0 HA ASN A 84 -2.462 -2.045 -6.986 1.00 5.31 H new ATOM 0 HB2 ASN A 84 -4.198 -4.312 -5.917 1.00 23.50 H new ATOM 0 HB3 ASN A 84 -4.756 -3.022 -6.964 1.00 23.50 H new ATOM 0 HD21 ASN A 84 -2.280 -4.523 -9.572 1.00 4.31 H new ATOM 0 HD22 ASN A 84 -2.121 -3.096 -8.542 1.00 4.31 H new ATOM 1429 N VAL A 85 -3.073 -0.567 -5.066 1.00 61.13 N ATOM 1430 CA VAL A 85 -3.667 0.379 -4.118 1.00 52.32 C ATOM 1431 C VAL A 85 -4.981 0.884 -4.731 1.00 75.33 C ATOM 1432 O VAL A 85 -4.979 1.372 -5.854 1.00 22.33 O ATOM 1433 CB VAL A 85 -2.714 1.589 -3.795 1.00 71.44 C ATOM 1434 CG1 VAL A 85 -3.337 2.530 -2.731 1.00 24.11 C ATOM 1435 CG2 VAL A 85 -1.325 1.082 -3.350 1.00 11.23 C ATOM 0 H VAL A 85 -2.495 -0.124 -5.780 1.00 61.13 H new ATOM 0 HA VAL A 85 -3.842 -0.130 -3.170 1.00 52.32 H new ATOM 0 HB VAL A 85 -2.586 2.171 -4.708 1.00 71.44 H new ATOM 0 HG11 VAL A 85 -2.654 3.355 -2.530 1.00 24.11 H new ATOM 0 HG12 VAL A 85 -4.283 2.924 -3.103 1.00 24.11 H new ATOM 0 HG13 VAL A 85 -3.513 1.973 -1.811 1.00 24.11 H new ATOM 0 HG21 VAL A 85 -0.680 1.933 -3.131 1.00 11.23 H new ATOM 0 HG22 VAL A 85 -1.431 0.468 -2.456 1.00 11.23 H new ATOM 0 HG23 VAL A 85 -0.882 0.487 -4.149 1.00 11.23 H new ATOM 1445 N HIS A 86 -6.092 0.717 -4.010 1.00 34.23 N ATOM 1446 CA HIS A 86 -7.431 1.103 -4.482 1.00 24.24 C ATOM 1447 C HIS A 86 -7.922 2.234 -3.584 1.00 44.50 C ATOM 1448 O HIS A 86 -8.138 1.995 -2.393 1.00 41.31 O ATOM 1449 CB HIS A 86 -8.417 -0.099 -4.393 1.00 3.32 C ATOM 1450 CG HIS A 86 -7.952 -1.373 -5.044 1.00 33.21 C ATOM 1451 ND1 HIS A 86 -8.466 -1.853 -6.229 1.00 53.13 N ATOM 1452 CD2 HIS A 86 -7.041 -2.295 -4.637 1.00 52.14 C ATOM 1453 CE1 HIS A 86 -7.893 -3.005 -6.520 1.00 23.31 C ATOM 1454 NE2 HIS A 86 -7.027 -3.291 -5.574 1.00 64.20 N ATOM 0 H HIS A 86 -6.092 0.308 -3.076 1.00 34.23 H new ATOM 0 HA HIS A 86 -7.382 1.419 -5.524 1.00 24.24 H new ATOM 0 HB2 HIS A 86 -8.619 -0.303 -3.341 1.00 3.32 H new ATOM 0 HB3 HIS A 86 -9.363 0.196 -4.848 1.00 3.32 H new ATOM 0 HD2 HIS A 86 -6.440 -2.250 -3.741 1.00 52.14 H new ATOM 0 HE1 HIS A 86 -8.101 -3.611 -7.389 1.00 23.31 H new ATOM 0 HE2 HIS A 86 -6.438 -4.123 -5.543 1.00 64.20 H new ATOM 1463 N SER A 87 -8.065 3.453 -4.130 1.00 32.31 N ATOM 1464 CA SER A 87 -8.500 4.629 -3.371 1.00 42.23 C ATOM 1465 C SER A 87 -9.273 5.598 -4.270 1.00 60.20 C ATOM 1466 O SER A 87 -8.762 6.032 -5.313 1.00 52.51 O ATOM 1467 CB SER A 87 -7.285 5.343 -2.734 1.00 72.15 C ATOM 1468 OG SER A 87 -6.507 4.457 -1.944 1.00 65.14 O ATOM 0 H SER A 87 -7.881 3.647 -5.114 1.00 32.31 H new ATOM 0 HA SER A 87 -9.164 4.293 -2.574 1.00 42.23 H new ATOM 0 HB2 SER A 87 -6.662 5.771 -3.519 1.00 72.15 H new ATOM 0 HB3 SER A 87 -7.633 6.171 -2.116 1.00 72.15 H new ATOM 0 HG SER A 87 -5.564 4.534 -2.199 1.00 65.14 H new ATOM 1474 N GLY A 88 -10.521 5.900 -3.858 1.00 14.21 N ATOM 1475 CA GLY A 88 -11.380 6.872 -4.538 1.00 42.41 C ATOM 1476 C GLY A 88 -11.909 6.369 -5.869 1.00 22.04 C ATOM 1477 O GLY A 88 -12.298 7.169 -6.726 1.00 22.21 O ATOM 0 H GLY A 88 -10.956 5.472 -3.041 1.00 14.21 H new ATOM 0 HA2 GLY A 88 -12.221 7.121 -3.890 1.00 42.41 H new ATOM 0 HA3 GLY A 88 -10.819 7.792 -4.701 1.00 42.41 H new ATOM 1481 N GLY A 89 -11.912 5.031 -6.043 1.00 44.02 N ATOM 1482 CA GLY A 89 -12.272 4.393 -7.314 1.00 53.34 C ATOM 1483 C GLY A 89 -11.064 4.108 -8.204 1.00 75.22 C ATOM 1484 O GLY A 89 -11.147 3.272 -9.111 1.00 1.32 O ATOM 0 H GLY A 89 -11.665 4.370 -5.306 1.00 44.02 H new ATOM 0 HA2 GLY A 89 -12.794 3.458 -7.110 1.00 53.34 H new ATOM 0 HA3 GLY A 89 -12.969 5.036 -7.852 1.00 53.34 H new ATOM 1488 N GLN A 90 -9.939 4.814 -7.957 1.00 14.34 N ATOM 1489 CA GLN A 90 -8.693 4.644 -8.733 1.00 74.24 C ATOM 1490 C GLN A 90 -7.889 3.458 -8.188 1.00 60.44 C ATOM 1491 O GLN A 90 -7.840 3.251 -6.980 1.00 44.33 O ATOM 1492 CB GLN A 90 -7.813 5.934 -8.694 1.00 13.32 C ATOM 1493 CG GLN A 90 -8.406 7.171 -9.411 1.00 24.13 C ATOM 1494 CD GLN A 90 -9.575 7.845 -8.686 1.00 33.24 C ATOM 1495 OE1 GLN A 90 -10.499 8.370 -9.315 1.00 24.22 O ATOM 1496 NE2 GLN A 90 -9.517 7.899 -7.361 1.00 22.23 N ATOM 0 H GLN A 90 -9.870 5.514 -7.218 1.00 14.34 H new ATOM 0 HA GLN A 90 -8.973 4.453 -9.769 1.00 74.24 H new ATOM 0 HB2 GLN A 90 -7.628 6.195 -7.652 1.00 13.32 H new ATOM 0 HB3 GLN A 90 -6.846 5.706 -9.142 1.00 13.32 H new ATOM 0 HG2 GLN A 90 -7.613 7.906 -9.550 1.00 24.13 H new ATOM 0 HG3 GLN A 90 -8.740 6.870 -10.404 1.00 24.13 H new ATOM 0 HE21 GLN A 90 -8.743 7.457 -6.866 1.00 22.23 H new ATOM 0 HE22 GLN A 90 -10.247 8.383 -6.838 1.00 22.23 H new ATOM 1505 N THR A 91 -7.255 2.689 -9.082 1.00 51.44 N ATOM 1506 CA THR A 91 -6.358 1.588 -8.709 1.00 70.22 C ATOM 1507 C THR A 91 -4.988 1.795 -9.366 1.00 44.32 C ATOM 1508 O THR A 91 -4.885 1.816 -10.594 1.00 31.03 O ATOM 1509 CB THR A 91 -6.948 0.195 -9.116 1.00 42.22 C ATOM 1510 OG1 THR A 91 -8.198 -0.013 -8.425 1.00 30.42 O ATOM 1511 CG2 THR A 91 -5.982 -0.964 -8.794 1.00 11.01 C ATOM 0 H THR A 91 -7.350 2.814 -10.090 1.00 51.44 H new ATOM 0 HA THR A 91 -6.250 1.593 -7.624 1.00 70.22 H new ATOM 0 HB THR A 91 -7.104 0.202 -10.195 1.00 42.22 H new ATOM 0 HG1 THR A 91 -8.077 -0.689 -7.726 1.00 30.42 H new ATOM 0 HG21 THR A 91 -6.435 -1.909 -9.094 1.00 11.01 H new ATOM 0 HG22 THR A 91 -5.048 -0.821 -9.337 1.00 11.01 H new ATOM 0 HG23 THR A 91 -5.780 -0.982 -7.723 1.00 11.01 H new ATOM 1519 N TRP A 92 -3.953 1.981 -8.530 1.00 21.31 N ATOM 1520 CA TRP A 92 -2.555 2.067 -8.966 1.00 23.22 C ATOM 1521 C TRP A 92 -1.943 0.659 -8.960 1.00 14.12 C ATOM 1522 O TRP A 92 -1.872 0.018 -7.904 1.00 43.53 O ATOM 1523 CB TRP A 92 -1.753 3.003 -8.028 1.00 13.23 C ATOM 1524 CG TRP A 92 -2.253 4.426 -7.990 1.00 2.33 C ATOM 1525 CD1 TRP A 92 -1.801 5.487 -8.726 1.00 31.11 C ATOM 1526 CD2 TRP A 92 -3.306 4.940 -7.164 1.00 4.11 C ATOM 1527 NE1 TRP A 92 -2.515 6.614 -8.413 1.00 43.03 N ATOM 1528 CE2 TRP A 92 -3.442 6.303 -7.457 1.00 55.52 C ATOM 1529 CE3 TRP A 92 -4.148 4.371 -6.211 1.00 3.22 C ATOM 1530 CZ2 TRP A 92 -4.381 7.105 -6.829 1.00 74.11 C ATOM 1531 CZ3 TRP A 92 -5.080 5.162 -5.587 1.00 10.11 C ATOM 1532 CH2 TRP A 92 -5.196 6.521 -5.898 1.00 11.20 C ATOM 0 H TRP A 92 -4.068 2.077 -7.521 1.00 21.31 H new ATOM 0 HA TRP A 92 -2.514 2.480 -9.974 1.00 23.22 H new ATOM 0 HB2 TRP A 92 -1.780 2.594 -7.018 1.00 13.23 H new ATOM 0 HB3 TRP A 92 -0.710 3.006 -8.343 1.00 13.23 H new ATOM 0 HD1 TRP A 92 -0.999 5.443 -9.448 1.00 31.11 H new ATOM 0 HE1 TRP A 92 -2.377 7.536 -8.826 1.00 43.03 H new ATOM 0 HE3 TRP A 92 -4.068 3.322 -5.967 1.00 3.22 H new ATOM 0 HZ2 TRP A 92 -4.467 8.155 -7.066 1.00 74.11 H new ATOM 0 HZ3 TRP A 92 -5.734 4.729 -4.845 1.00 10.11 H new ATOM 0 HH2 TRP A 92 -5.941 7.119 -5.395 1.00 11.20 H new ATOM 1543 N THR A 93 -1.538 0.180 -10.139 1.00 44.21 N ATOM 1544 CA THR A 93 -0.928 -1.144 -10.309 1.00 23.14 C ATOM 1545 C THR A 93 0.612 -1.030 -10.342 1.00 23.13 C ATOM 1546 O THR A 93 1.189 -0.582 -11.339 1.00 74.23 O ATOM 1547 CB THR A 93 -1.464 -1.826 -11.617 1.00 54.41 C ATOM 1548 OG1 THR A 93 -1.249 -0.964 -12.753 1.00 72.33 O ATOM 1549 CG2 THR A 93 -2.971 -2.152 -11.513 1.00 11.35 C ATOM 0 H THR A 93 -1.624 0.703 -11.010 1.00 44.21 H new ATOM 0 HA THR A 93 -1.204 -1.767 -9.458 1.00 23.14 H new ATOM 0 HB THR A 93 -0.914 -2.758 -11.745 1.00 54.41 H new ATOM 0 HG1 THR A 93 -0.398 -0.489 -12.647 1.00 72.33 H new ATOM 0 HG21 THR A 93 -3.306 -2.623 -12.437 1.00 11.35 H new ATOM 0 HG22 THR A 93 -3.139 -2.831 -10.678 1.00 11.35 H new ATOM 0 HG23 THR A 93 -3.532 -1.232 -11.351 1.00 11.35 H new ATOM 1557 N PHE A 94 1.273 -1.418 -9.237 1.00 3.30 N ATOM 1558 CA PHE A 94 2.739 -1.425 -9.142 1.00 53.11 C ATOM 1559 C PHE A 94 3.240 -2.847 -9.442 1.00 71.10 C ATOM 1560 O PHE A 94 3.174 -3.741 -8.599 1.00 44.33 O ATOM 1561 CB PHE A 94 3.193 -0.948 -7.732 1.00 25.50 C ATOM 1562 CG PHE A 94 2.712 0.459 -7.369 1.00 65.23 C ATOM 1563 CD1 PHE A 94 3.456 1.585 -7.726 1.00 71.11 C ATOM 1564 CD2 PHE A 94 1.508 0.654 -6.688 1.00 41.04 C ATOM 1565 CE1 PHE A 94 3.011 2.859 -7.412 1.00 35.25 C ATOM 1566 CE2 PHE A 94 1.068 1.923 -6.373 1.00 43.21 C ATOM 1567 CZ PHE A 94 1.816 3.028 -6.739 1.00 33.52 C ATOM 0 H PHE A 94 0.805 -1.734 -8.388 1.00 3.30 H new ATOM 0 HA PHE A 94 3.167 -0.735 -9.869 1.00 53.11 H new ATOM 0 HB2 PHE A 94 2.825 -1.651 -6.985 1.00 25.50 H new ATOM 0 HB3 PHE A 94 4.282 -0.973 -7.684 1.00 25.50 H new ATOM 0 HD1 PHE A 94 4.390 1.461 -8.254 1.00 71.11 H new ATOM 0 HD2 PHE A 94 0.913 -0.201 -6.404 1.00 41.04 H new ATOM 0 HE1 PHE A 94 3.598 3.720 -7.693 1.00 35.25 H new ATOM 0 HE2 PHE A 94 0.138 2.054 -5.840 1.00 43.21 H new ATOM 0 HZ PHE A 94 1.466 4.021 -6.499 1.00 33.52 H new ATOM 1577 N ASN A 95 3.757 -3.018 -10.650 1.00 10.13 N ATOM 1578 CA ASN A 95 4.249 -4.301 -11.180 1.00 12.24 C ATOM 1579 C ASN A 95 5.774 -4.234 -11.342 1.00 40.45 C ATOM 1580 O ASN A 95 6.350 -3.129 -11.347 1.00 70.25 O ATOM 1581 CB ASN A 95 3.528 -4.633 -12.516 1.00 4.23 C ATOM 1582 CG ASN A 95 3.595 -3.504 -13.551 1.00 44.30 C ATOM 1583 OD1 ASN A 95 4.484 -3.466 -14.399 1.00 72.41 O ATOM 1584 ND2 ASN A 95 2.656 -2.565 -13.475 1.00 43.40 N ATOM 0 H ASN A 95 3.853 -2.251 -11.315 1.00 10.13 H new ATOM 0 HA ASN A 95 4.024 -5.108 -10.483 1.00 12.24 H new ATOM 0 HB2 ASN A 95 3.971 -5.532 -12.944 1.00 4.23 H new ATOM 0 HB3 ASN A 95 2.483 -4.861 -12.307 1.00 4.23 H new ATOM 0 HD21 ASN A 95 2.660 -1.785 -14.132 1.00 43.40 H new ATOM 0 HD22 ASN A 95 1.931 -2.625 -12.760 1.00 43.40 H new ATOM 1591 N GLU A 96 6.415 -5.425 -11.433 1.00 65.44 N ATOM 1592 CA GLU A 96 7.888 -5.572 -11.468 1.00 21.54 C ATOM 1593 C GLU A 96 8.545 -4.647 -12.524 1.00 23.10 C ATOM 1594 O GLU A 96 8.012 -4.451 -13.632 1.00 72.21 O ATOM 1595 CB GLU A 96 8.295 -7.055 -11.718 1.00 60.24 C ATOM 1596 CG GLU A 96 7.730 -7.665 -13.020 1.00 22.34 C ATOM 1597 CD GLU A 96 8.291 -9.062 -13.325 1.00 43.44 C ATOM 1598 OE1 GLU A 96 7.739 -10.062 -12.820 1.00 65.45 O ATOM 1599 OE2 GLU A 96 9.293 -9.167 -14.071 1.00 73.34 O ATOM 0 H GLU A 96 5.920 -6.315 -11.484 1.00 65.44 H new ATOM 0 HA GLU A 96 8.258 -5.266 -10.490 1.00 21.54 H new ATOM 0 HB2 GLU A 96 9.383 -7.120 -11.744 1.00 60.24 H new ATOM 0 HB3 GLU A 96 7.959 -7.658 -10.874 1.00 60.24 H new ATOM 0 HG2 GLU A 96 6.644 -7.725 -12.945 1.00 22.34 H new ATOM 0 HG3 GLU A 96 7.956 -7.000 -13.853 1.00 22.34 H new ATOM 1606 N LYS A 97 9.703 -4.091 -12.141 1.00 4.35 N ATOM 1607 CA LYS A 97 10.416 -3.050 -12.900 1.00 1.33 C ATOM 1608 C LYS A 97 11.325 -3.683 -13.996 1.00 22.53 C ATOM 1609 O LYS A 97 12.547 -3.850 -13.804 1.00 5.45 O ATOM 1610 CB LYS A 97 11.185 -2.121 -11.895 1.00 63.52 C ATOM 1611 CG LYS A 97 12.061 -2.853 -10.842 1.00 34.25 C ATOM 1612 CD LYS A 97 12.677 -1.895 -9.793 1.00 25.45 C ATOM 1613 CE LYS A 97 13.582 -0.818 -10.420 1.00 33.22 C ATOM 1614 NZ LYS A 97 14.125 0.128 -9.402 1.00 65.31 N ATOM 1615 OXT LYS A 97 10.789 -4.057 -15.051 1.00 36.84 O ATOM 0 H LYS A 97 10.180 -4.356 -11.279 1.00 4.35 H new ATOM 0 HA LYS A 97 9.708 -2.424 -13.443 1.00 1.33 H new ATOM 0 HB2 LYS A 97 11.823 -1.447 -12.466 1.00 63.52 H new ATOM 0 HB3 LYS A 97 10.457 -1.503 -11.370 1.00 63.52 H new ATOM 0 HG2 LYS A 97 11.455 -3.601 -10.331 1.00 34.25 H new ATOM 0 HG3 LYS A 97 12.862 -3.387 -11.353 1.00 34.25 H new ATOM 0 HD2 LYS A 97 11.875 -1.409 -9.237 1.00 25.45 H new ATOM 0 HD3 LYS A 97 13.256 -2.475 -9.075 1.00 25.45 H new ATOM 0 HE2 LYS A 97 14.408 -1.300 -10.942 1.00 33.22 H new ATOM 0 HE3 LYS A 97 13.016 -0.260 -11.166 1.00 33.22 H new ATOM 0 HZ1 LYS A 97 14.084 1.099 -9.773 1.00 65.31 H new ATOM 0 HZ2 LYS A 97 13.558 0.066 -8.533 1.00 65.31 H new ATOM 0 HZ3 LYS A 97 15.112 -0.120 -9.190 1.00 65.31 H new TER 1629 LYS A 97