USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1084 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 123 LYS NZ :NH3+ -171:sc= 1.03 (180deg=-0.221) USER MOD Set 1.2: A 125 SER OG : rot -120:sc= 1.11 USER MOD Set 2.1: A 67 LYS NZ :NH3+ -155:sc= 0.295 (180deg=0) USER MOD Set 2.2: A 102 ASN : amide:sc= -0.845 K(o=-0.55,f=-2.6!) USER MOD Set 3.1: A 41 CYS SG : rot -53:sc= -0.181 USER MOD Set 3.2: A 42 SER OG : rot -19:sc= 0.221 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.159 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.11) USER MOD Single : A 6 HIS : no HE2:sc= 0.963 K(o=0.96,f=-5.1!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= 0.941 K(o=0.94,f=-4.1!) USER MOD Single : A 16 SER OG : rot 180:sc= -0.134 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 27 SER OG : rot -150:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -167:sc= -0.0313 (180deg=-0.21) USER MOD Single : A 31 SER OG : rot -82:sc= 1.16 USER MOD Single : A 32 HIS : no HD1:sc= -0.0958 X(o=-0.096,f=-0.011) USER MOD Single : A 33 MET CE :methyl -100:sc= -2.45! (180deg=-2.94!) USER MOD Single : A 46 HIS : no HE2:sc= 0.83 K(o=0.83,f=-2.5!) USER MOD Single : A 47 THR OG1 : rot -79:sc= 0.831 USER MOD Single : A 52 TYR OH : rot -35:sc= -0.975 USER MOD Single : A 53 SER OG : rot 180:sc= -0.355 USER MOD Single : A 56 HIS : no HD1:sc= 0.618 K(o=0.62,f=-3.5!) USER MOD Single : A 59 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 60 LYS NZ :NH3+ -138:sc= 0.351 (180deg=-0.416) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0746 (180deg=-0.436) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.286 USER MOD Single : A 73 SER OG : rot 99:sc= 0.191 USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= -0.0182 (180deg=-0.139) USER MOD Single : A 78 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 81 THR OG1 : rot -170:sc= 0.82 USER MOD Single : A 86 GLN : amide:sc= -0.548 K(o=-0.55,f=-4.7!) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -5.62! C(o=-5.6!,f=-9.2!) USER MOD Single : A 107 LYS NZ :NH3+ -179:sc= 1.2 (180deg=1.09) USER MOD Single : A 117 HIS : no HD1:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 120 THR OG1 : rot -97:sc= 1.25 USER MOD Single : A 126 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -20.632 -17.038 -18.422 1.00 2.22 N ATOM 2 CA GLY A 1 -19.573 -16.035 -18.517 1.00 4.50 C ATOM 3 C GLY A 1 -19.080 -15.662 -17.150 1.00 62.42 C ATOM 4 O GLY A 1 -19.568 -16.197 -16.148 1.00 24.31 O ATOM 0 H1 GLY A 1 -20.280 -17.949 -18.778 1.00 2.22 H new ATOM 0 H2 GLY A 1 -20.922 -17.143 -17.429 1.00 2.22 H new ATOM 0 H3 GLY A 1 -21.448 -16.736 -18.991 1.00 2.22 H new ATOM 0 HA2 GLY A 1 -18.748 -16.424 -19.114 1.00 4.50 H new ATOM 0 HA3 GLY A 1 -19.948 -15.149 -19.029 1.00 4.50 H new ATOM 10 N HIS A 2 -18.117 -14.763 -17.079 1.00 23.12 N ATOM 11 CA HIS A 2 -17.606 -14.322 -15.792 1.00 43.33 C ATOM 12 C HIS A 2 -18.507 -13.253 -15.218 1.00 4.23 C ATOM 13 O HIS A 2 -18.360 -12.070 -15.524 1.00 42.43 O ATOM 14 CB HIS A 2 -16.160 -13.812 -15.885 1.00 32.30 C ATOM 15 CG HIS A 2 -15.157 -14.853 -16.285 1.00 22.32 C ATOM 16 ND1 HIS A 2 -14.595 -14.928 -17.538 1.00 3.42 N ATOM 17 CD2 HIS A 2 -14.606 -15.857 -15.574 1.00 2.43 C ATOM 18 CE1 HIS A 2 -13.750 -15.935 -17.576 1.00 41.25 C ATOM 19 NE2 HIS A 2 -13.739 -16.511 -16.397 1.00 52.15 N ATOM 0 H HIS A 2 -17.675 -14.326 -17.888 1.00 23.12 H new ATOM 0 HA HIS A 2 -17.598 -15.186 -15.127 1.00 43.33 H new ATOM 0 HB2 HIS A 2 -16.122 -12.994 -16.605 1.00 32.30 H new ATOM 0 HB3 HIS A 2 -15.871 -13.400 -14.918 1.00 32.30 H new ATOM 0 HD2 HIS A 2 -14.814 -16.099 -14.542 1.00 2.43 H new ATOM 0 HE1 HIS A 2 -13.165 -16.237 -18.432 1.00 41.25 H new ATOM 0 HE2 HIS A 2 -13.172 -17.319 -16.138 1.00 52.15 H new ATOM 28 N HIS A 3 -19.459 -13.666 -14.424 1.00 71.41 N ATOM 29 CA HIS A 3 -20.404 -12.741 -13.859 1.00 71.02 C ATOM 30 C HIS A 3 -19.922 -12.245 -12.509 1.00 63.01 C ATOM 31 O HIS A 3 -20.264 -12.814 -11.469 1.00 74.13 O ATOM 32 CB HIS A 3 -21.816 -13.354 -13.748 1.00 51.11 C ATOM 33 CG HIS A 3 -22.863 -12.409 -13.223 1.00 45.42 C ATOM 34 ND1 HIS A 3 -23.281 -12.398 -11.912 1.00 40.14 N ATOM 35 CD2 HIS A 3 -23.568 -11.442 -13.841 1.00 55.32 C ATOM 36 CE1 HIS A 3 -24.188 -11.471 -11.750 1.00 3.51 C ATOM 37 NE2 HIS A 3 -24.382 -10.876 -12.903 1.00 41.20 N ATOM 0 H HIS A 3 -19.600 -14.639 -14.154 1.00 71.41 H new ATOM 0 HA HIS A 3 -20.476 -11.891 -14.537 1.00 71.02 H new ATOM 0 HB2 HIS A 3 -22.124 -13.708 -14.732 1.00 51.11 H new ATOM 0 HB3 HIS A 3 -21.770 -14.226 -13.095 1.00 51.11 H new ATOM 0 HD2 HIS A 3 -23.502 -11.166 -14.883 1.00 55.32 H new ATOM 0 HE1 HIS A 3 -24.692 -11.235 -10.824 1.00 3.51 H new ATOM 0 HE2 HIS A 3 -25.037 -10.112 -13.072 1.00 41.20 H new ATOM 46 N HIS A 4 -19.083 -11.233 -12.550 1.00 50.15 N ATOM 47 CA HIS A 4 -18.539 -10.584 -11.370 1.00 31.51 C ATOM 48 C HIS A 4 -17.578 -9.481 -11.761 1.00 70.10 C ATOM 49 O HIS A 4 -16.637 -9.701 -12.520 1.00 45.01 O ATOM 50 CB HIS A 4 -17.851 -11.578 -10.363 1.00 63.45 C ATOM 51 CG HIS A 4 -16.686 -12.378 -10.901 1.00 72.43 C ATOM 52 ND1 HIS A 4 -16.815 -13.646 -11.402 1.00 44.35 N ATOM 53 CD2 HIS A 4 -15.366 -12.086 -10.982 1.00 24.32 C ATOM 54 CE1 HIS A 4 -15.641 -14.101 -11.767 1.00 24.52 C ATOM 55 NE2 HIS A 4 -14.743 -13.176 -11.524 1.00 60.10 N ATOM 0 H HIS A 4 -18.750 -10.827 -13.424 1.00 50.15 H new ATOM 0 HA HIS A 4 -19.392 -10.156 -10.843 1.00 31.51 H new ATOM 0 HB2 HIS A 4 -17.505 -11.007 -9.501 1.00 63.45 H new ATOM 0 HB3 HIS A 4 -18.606 -12.275 -10.001 1.00 63.45 H new ATOM 0 HD2 HIS A 4 -14.894 -11.164 -10.676 1.00 24.32 H new ATOM 0 HE1 HIS A 4 -15.446 -15.073 -12.195 1.00 24.52 H new ATOM 0 HE2 HIS A 4 -13.743 -13.257 -11.709 1.00 60.10 H new ATOM 64 N HIS A 5 -17.850 -8.311 -11.286 1.00 12.02 N ATOM 65 CA HIS A 5 -16.967 -7.187 -11.419 1.00 70.50 C ATOM 66 C HIS A 5 -16.950 -6.437 -10.114 1.00 31.20 C ATOM 67 O HIS A 5 -17.632 -5.435 -9.932 1.00 44.42 O ATOM 68 CB HIS A 5 -17.256 -6.280 -12.663 1.00 5.11 C ATOM 69 CG HIS A 5 -18.657 -5.736 -12.795 1.00 15.45 C ATOM 70 ND1 HIS A 5 -19.013 -4.461 -12.430 1.00 33.45 N ATOM 71 CD2 HIS A 5 -19.776 -6.297 -13.294 1.00 32.23 C ATOM 72 CE1 HIS A 5 -20.284 -4.266 -12.694 1.00 34.14 C ATOM 73 NE2 HIS A 5 -20.769 -5.362 -13.219 1.00 71.20 N ATOM 0 H HIS A 5 -18.711 -8.099 -10.782 1.00 12.02 H new ATOM 0 HA HIS A 5 -15.965 -7.561 -11.629 1.00 70.50 H new ATOM 0 HB2 HIS A 5 -16.565 -5.437 -12.637 1.00 5.11 H new ATOM 0 HB3 HIS A 5 -17.027 -6.853 -13.562 1.00 5.11 H new ATOM 0 HD2 HIS A 5 -19.870 -7.301 -13.682 1.00 32.23 H new ATOM 0 HE1 HIS A 5 -20.835 -3.356 -12.509 1.00 34.14 H new ATOM 0 HE2 HIS A 5 -21.733 -5.497 -13.523 1.00 71.20 H new ATOM 82 N HIS A 6 -16.223 -6.989 -9.176 1.00 23.50 N ATOM 83 CA HIS A 6 -16.195 -6.472 -7.839 1.00 32.43 C ATOM 84 C HIS A 6 -14.893 -5.760 -7.537 1.00 34.41 C ATOM 85 O HIS A 6 -13.906 -6.369 -7.131 1.00 53.41 O ATOM 86 CB HIS A 6 -16.467 -7.581 -6.803 1.00 34.13 C ATOM 87 CG HIS A 6 -16.575 -7.088 -5.383 1.00 54.34 C ATOM 88 ND1 HIS A 6 -15.580 -7.236 -4.446 1.00 35.35 N ATOM 89 CD2 HIS A 6 -17.593 -6.471 -4.743 1.00 11.31 C ATOM 90 CE1 HIS A 6 -15.980 -6.739 -3.301 1.00 42.34 C ATOM 91 NE2 HIS A 6 -17.198 -6.266 -3.452 1.00 44.45 N ATOM 0 H HIS A 6 -15.635 -7.810 -9.322 1.00 23.50 H new ATOM 0 HA HIS A 6 -16.996 -5.736 -7.765 1.00 32.43 H new ATOM 0 HB2 HIS A 6 -17.392 -8.092 -7.069 1.00 34.13 H new ATOM 0 HB3 HIS A 6 -15.667 -8.319 -6.859 1.00 34.13 H new ATOM 0 HD1 HIS A 6 -14.671 -7.666 -4.616 1.00 35.35 H new ATOM 0 HD2 HIS A 6 -18.543 -6.192 -5.173 1.00 11.31 H new ATOM 0 HE1 HIS A 6 -15.406 -6.721 -2.387 1.00 42.34 H new ATOM 100 N HIS A 7 -14.882 -4.508 -7.833 1.00 33.13 N ATOM 101 CA HIS A 7 -13.819 -3.605 -7.462 1.00 53.24 C ATOM 102 C HIS A 7 -14.390 -2.221 -7.550 1.00 1.41 C ATOM 103 O HIS A 7 -13.723 -1.262 -7.928 1.00 53.21 O ATOM 104 CB HIS A 7 -12.512 -3.785 -8.312 1.00 4.03 C ATOM 105 CG HIS A 7 -12.600 -3.525 -9.788 1.00 54.20 C ATOM 106 ND1 HIS A 7 -12.018 -2.432 -10.392 1.00 2.31 N ATOM 107 CD2 HIS A 7 -13.138 -4.257 -10.785 1.00 40.03 C ATOM 108 CE1 HIS A 7 -12.196 -2.507 -11.690 1.00 61.42 C ATOM 109 NE2 HIS A 7 -12.870 -3.604 -11.954 1.00 3.43 N ATOM 0 H HIS A 7 -15.632 -4.057 -8.357 1.00 33.13 H new ATOM 0 HA HIS A 7 -13.483 -3.821 -6.448 1.00 53.24 H new ATOM 0 HB2 HIS A 7 -11.750 -3.124 -7.900 1.00 4.03 H new ATOM 0 HB3 HIS A 7 -12.158 -4.806 -8.172 1.00 4.03 H new ATOM 0 HD2 HIS A 7 -13.679 -5.186 -10.679 1.00 40.03 H new ATOM 0 HE1 HIS A 7 -11.848 -1.789 -12.418 1.00 61.42 H new ATOM 0 HE2 HIS A 7 -13.148 -3.918 -12.884 1.00 3.43 H new ATOM 118 N LEU A 8 -15.649 -2.136 -7.137 1.00 11.10 N ATOM 119 CA LEU A 8 -16.391 -0.919 -7.176 1.00 23.21 C ATOM 120 C LEU A 8 -15.885 0.080 -6.161 1.00 62.51 C ATOM 121 O LEU A 8 -15.762 -0.220 -4.949 1.00 40.24 O ATOM 122 CB LEU A 8 -17.936 -1.170 -7.133 1.00 33.32 C ATOM 123 CG LEU A 8 -18.545 -2.015 -5.975 1.00 12.22 C ATOM 124 CD1 LEU A 8 -18.550 -1.279 -4.651 1.00 64.42 C ATOM 125 CD2 LEU A 8 -19.947 -2.478 -6.328 1.00 21.42 C ATOM 0 H LEU A 8 -16.173 -2.928 -6.765 1.00 11.10 H new ATOM 0 HA LEU A 8 -16.216 -0.449 -8.144 1.00 23.21 H new ATOM 0 HB2 LEU A 8 -18.425 -0.196 -7.118 1.00 33.32 H new ATOM 0 HB3 LEU A 8 -18.215 -1.652 -8.070 1.00 33.32 H new ATOM 0 HG LEU A 8 -17.900 -2.885 -5.852 1.00 12.22 H new ATOM 0 HD11 LEU A 8 -18.986 -1.917 -3.882 1.00 64.42 H new ATOM 0 HD12 LEU A 8 -17.528 -1.022 -4.373 1.00 64.42 H new ATOM 0 HD13 LEU A 8 -19.140 -0.367 -4.744 1.00 64.42 H new ATOM 0 HD21 LEU A 8 -20.354 -3.066 -5.506 1.00 21.42 H new ATOM 0 HD22 LEU A 8 -20.583 -1.611 -6.503 1.00 21.42 H new ATOM 0 HD23 LEU A 8 -19.912 -3.090 -7.229 1.00 21.42 H new ATOM 137 N GLU A 9 -15.544 1.234 -6.678 1.00 32.35 N ATOM 138 CA GLU A 9 -15.008 2.328 -5.929 1.00 53.23 C ATOM 139 C GLU A 9 -13.724 1.977 -5.216 1.00 43.44 C ATOM 140 O GLU A 9 -13.689 1.799 -4.001 1.00 30.43 O ATOM 141 CB GLU A 9 -16.033 3.041 -5.022 1.00 13.34 C ATOM 142 CG GLU A 9 -17.090 3.867 -5.770 1.00 55.32 C ATOM 143 CD GLU A 9 -17.942 3.067 -6.734 1.00 20.23 C ATOM 144 OE1 GLU A 9 -18.943 2.461 -6.298 1.00 14.40 O ATOM 145 OE2 GLU A 9 -17.641 3.055 -7.956 1.00 61.21 O ATOM 0 H GLU A 9 -15.639 1.439 -7.673 1.00 32.35 H new ATOM 0 HA GLU A 9 -14.745 3.075 -6.677 1.00 53.23 H new ATOM 0 HB2 GLU A 9 -16.541 2.293 -4.413 1.00 13.34 H new ATOM 0 HB3 GLU A 9 -15.496 3.698 -4.338 1.00 13.34 H new ATOM 0 HG2 GLU A 9 -17.742 4.347 -5.040 1.00 55.32 H new ATOM 0 HG3 GLU A 9 -16.589 4.663 -6.321 1.00 55.32 H new ATOM 152 N LEU A 10 -12.705 1.790 -6.001 1.00 70.52 N ATOM 153 CA LEU A 10 -11.376 1.567 -5.514 1.00 52.14 C ATOM 154 C LEU A 10 -10.483 2.681 -6.003 1.00 64.11 C ATOM 155 O LEU A 10 -10.051 2.687 -7.155 1.00 11.35 O ATOM 156 CB LEU A 10 -10.797 0.189 -5.942 1.00 10.32 C ATOM 157 CG LEU A 10 -11.046 -1.070 -5.045 1.00 42.32 C ATOM 158 CD1 LEU A 10 -10.404 -0.913 -3.690 1.00 4.24 C ATOM 159 CD2 LEU A 10 -12.510 -1.418 -4.889 1.00 4.52 C ATOM 0 H LEU A 10 -12.776 1.788 -7.019 1.00 70.52 H new ATOM 0 HA LEU A 10 -11.418 1.558 -4.425 1.00 52.14 H new ATOM 0 HB2 LEU A 10 -11.190 -0.035 -6.934 1.00 10.32 H new ATOM 0 HB3 LEU A 10 -9.718 0.307 -6.045 1.00 10.32 H new ATOM 0 HG LEU A 10 -10.577 -1.901 -5.571 1.00 42.32 H new ATOM 0 HD11 LEU A 10 -10.595 -1.804 -3.091 1.00 4.24 H new ATOM 0 HD12 LEU A 10 -9.329 -0.780 -3.810 1.00 4.24 H new ATOM 0 HD13 LEU A 10 -10.823 -0.041 -3.188 1.00 4.24 H new ATOM 0 HD21 LEU A 10 -12.609 -2.300 -4.256 1.00 4.52 H new ATOM 0 HD22 LEU A 10 -13.036 -0.581 -4.430 1.00 4.52 H new ATOM 0 HD23 LEU A 10 -12.941 -1.624 -5.869 1.00 4.52 H new ATOM 171 N GLU A 11 -10.222 3.614 -5.137 1.00 64.41 N ATOM 172 CA GLU A 11 -9.368 4.739 -5.444 1.00 60.31 C ATOM 173 C GLU A 11 -8.071 4.494 -4.729 1.00 41.21 C ATOM 174 O GLU A 11 -8.039 4.450 -3.502 1.00 62.00 O ATOM 175 CB GLU A 11 -10.009 6.035 -4.947 1.00 3.24 C ATOM 176 CG GLU A 11 -11.390 6.309 -5.525 1.00 55.40 C ATOM 177 CD GLU A 11 -11.369 6.559 -7.011 1.00 10.12 C ATOM 178 OE1 GLU A 11 -11.065 7.702 -7.415 1.00 5.23 O ATOM 179 OE2 GLU A 11 -11.683 5.641 -7.798 1.00 42.40 O ATOM 0 H GLU A 11 -10.595 3.623 -4.188 1.00 64.41 H new ATOM 0 HA GLU A 11 -9.213 4.838 -6.518 1.00 60.31 H new ATOM 0 HB2 GLU A 11 -10.083 5.997 -3.860 1.00 3.24 H new ATOM 0 HB3 GLU A 11 -9.352 6.870 -5.193 1.00 3.24 H new ATOM 0 HG2 GLU A 11 -12.041 5.460 -5.314 1.00 55.40 H new ATOM 0 HG3 GLU A 11 -11.823 7.174 -5.023 1.00 55.40 H new ATOM 186 N VAL A 12 -7.016 4.304 -5.461 1.00 31.31 N ATOM 187 CA VAL A 12 -5.782 3.890 -4.847 1.00 11.43 C ATOM 188 C VAL A 12 -4.673 4.838 -5.241 1.00 30.24 C ATOM 189 O VAL A 12 -4.526 5.160 -6.421 1.00 30.33 O ATOM 190 CB VAL A 12 -5.392 2.473 -5.323 1.00 63.20 C ATOM 191 CG1 VAL A 12 -4.392 1.837 -4.373 1.00 22.54 C ATOM 192 CG2 VAL A 12 -6.610 1.594 -5.526 1.00 4.40 C ATOM 0 H VAL A 12 -6.979 4.426 -6.473 1.00 31.31 H new ATOM 0 HA VAL A 12 -5.922 3.892 -3.766 1.00 11.43 H new ATOM 0 HB VAL A 12 -4.909 2.572 -6.295 1.00 63.20 H new ATOM 0 HG11 VAL A 12 -4.134 0.840 -4.730 1.00 22.54 H new ATOM 0 HG12 VAL A 12 -3.492 2.451 -4.328 1.00 22.54 H new ATOM 0 HG13 VAL A 12 -4.831 1.763 -3.378 1.00 22.54 H new ATOM 0 HG21 VAL A 12 -6.294 0.606 -5.861 1.00 4.40 H new ATOM 0 HG22 VAL A 12 -7.153 1.502 -4.585 1.00 4.40 H new ATOM 0 HG23 VAL A 12 -7.260 2.041 -6.278 1.00 4.40 H new ATOM 202 N HIS A 13 -3.906 5.291 -4.275 1.00 72.11 N ATOM 203 CA HIS A 13 -2.778 6.168 -4.554 1.00 44.42 C ATOM 204 C HIS A 13 -1.818 6.155 -3.381 1.00 71.30 C ATOM 205 O HIS A 13 -2.220 5.858 -2.255 1.00 42.44 O ATOM 206 CB HIS A 13 -3.229 7.633 -4.863 1.00 32.34 C ATOM 207 CG HIS A 13 -3.800 8.403 -3.701 1.00 35.14 C ATOM 208 ND1 HIS A 13 -3.210 9.544 -3.195 1.00 4.31 N ATOM 209 CD2 HIS A 13 -4.920 8.210 -2.969 1.00 62.01 C ATOM 210 CE1 HIS A 13 -3.944 10.010 -2.205 1.00 14.35 C ATOM 211 NE2 HIS A 13 -4.983 9.220 -2.051 1.00 52.44 N ATOM 0 H HIS A 13 -4.038 5.070 -3.288 1.00 72.11 H new ATOM 0 HA HIS A 13 -2.279 5.789 -5.446 1.00 44.42 H new ATOM 0 HB2 HIS A 13 -2.372 8.182 -5.252 1.00 32.34 H new ATOM 0 HB3 HIS A 13 -3.976 7.603 -5.657 1.00 32.34 H new ATOM 0 HD2 HIS A 13 -5.632 7.407 -3.088 1.00 62.01 H new ATOM 0 HE1 HIS A 13 -3.728 10.892 -1.619 1.00 14.35 H new ATOM 0 HE2 HIS A 13 -5.720 9.342 -1.356 1.00 52.44 H new ATOM 220 N ILE A 14 -0.574 6.462 -3.632 1.00 52.11 N ATOM 221 CA ILE A 14 0.409 6.558 -2.573 1.00 41.30 C ATOM 222 C ILE A 14 0.756 8.031 -2.392 1.00 12.10 C ATOM 223 O ILE A 14 1.514 8.599 -3.180 1.00 25.43 O ATOM 224 CB ILE A 14 1.701 5.748 -2.880 1.00 1.43 C ATOM 225 CG1 ILE A 14 1.357 4.271 -3.134 1.00 52.35 C ATOM 226 CG2 ILE A 14 2.705 5.876 -1.728 1.00 41.24 C ATOM 227 CD1 ILE A 14 2.567 3.391 -3.396 1.00 25.53 C ATOM 0 H ILE A 14 -0.210 6.652 -4.566 1.00 52.11 H new ATOM 0 HA ILE A 14 -0.017 6.132 -1.664 1.00 41.30 H new ATOM 0 HB ILE A 14 2.160 6.157 -3.780 1.00 1.43 H new ATOM 0 HG12 ILE A 14 0.817 3.881 -2.271 1.00 52.35 H new ATOM 0 HG13 ILE A 14 0.683 4.207 -3.988 1.00 52.35 H new ATOM 0 HG21 ILE A 14 3.602 5.302 -1.962 1.00 41.24 H new ATOM 0 HG22 ILE A 14 2.970 6.924 -1.591 1.00 41.24 H new ATOM 0 HG23 ILE A 14 2.258 5.492 -0.811 1.00 41.24 H new ATOM 0 HD11 ILE A 14 2.241 2.365 -3.566 1.00 25.53 H new ATOM 0 HD12 ILE A 14 3.097 3.754 -4.277 1.00 25.53 H new ATOM 0 HD13 ILE A 14 3.233 3.422 -2.534 1.00 25.53 H new ATOM 239 N PRO A 15 0.135 8.704 -1.408 1.00 1.20 N ATOM 240 CA PRO A 15 0.349 10.133 -1.200 1.00 55.40 C ATOM 241 C PRO A 15 1.704 10.527 -0.596 1.00 0.11 C ATOM 242 O PRO A 15 2.223 11.583 -0.922 1.00 12.32 O ATOM 243 CB PRO A 15 -0.781 10.519 -0.249 1.00 33.25 C ATOM 244 CG PRO A 15 -1.089 9.267 0.499 1.00 52.23 C ATOM 245 CD PRO A 15 -0.879 8.151 -0.471 1.00 14.01 C ATOM 0 HA PRO A 15 0.353 10.649 -2.160 1.00 55.40 H new ATOM 0 HB2 PRO A 15 -0.475 11.319 0.426 1.00 33.25 H new ATOM 0 HB3 PRO A 15 -1.653 10.879 -0.795 1.00 33.25 H new ATOM 0 HG2 PRO A 15 -0.437 9.159 1.366 1.00 52.23 H new ATOM 0 HG3 PRO A 15 -2.114 9.275 0.870 1.00 52.23 H new ATOM 0 HD2 PRO A 15 -0.520 7.249 0.024 1.00 14.01 H new ATOM 0 HD3 PRO A 15 -1.802 7.886 -0.987 1.00 14.01 H new ATOM 253 N SER A 16 2.305 9.698 0.243 1.00 44.31 N ATOM 254 CA SER A 16 3.528 10.143 0.921 1.00 64.42 C ATOM 255 C SER A 16 4.445 8.990 1.312 1.00 3.13 C ATOM 256 O SER A 16 3.974 7.877 1.596 1.00 40.53 O ATOM 257 CB SER A 16 3.155 10.912 2.210 1.00 43.42 C ATOM 258 OG SER A 16 2.240 11.977 1.956 1.00 25.05 O ATOM 0 H SER A 16 1.991 8.754 0.469 1.00 44.31 H new ATOM 0 HA SER A 16 4.061 10.777 0.213 1.00 64.42 H new ATOM 0 HB2 SER A 16 2.715 10.221 2.929 1.00 43.42 H new ATOM 0 HB3 SER A 16 4.060 11.314 2.666 1.00 43.42 H new ATOM 0 HG SER A 16 2.030 12.435 2.796 1.00 25.05 H new ATOM 264 N VAL A 17 5.748 9.265 1.307 1.00 53.55 N ATOM 265 CA VAL A 17 6.745 8.359 1.854 1.00 21.12 C ATOM 266 C VAL A 17 7.537 9.173 2.830 1.00 13.52 C ATOM 267 O VAL A 17 7.960 10.279 2.493 1.00 0.11 O ATOM 268 CB VAL A 17 7.773 7.824 0.824 1.00 50.44 C ATOM 269 CG1 VAL A 17 8.561 6.642 1.386 1.00 31.43 C ATOM 270 CG2 VAL A 17 7.180 7.517 -0.518 1.00 42.12 C ATOM 0 H VAL A 17 6.139 10.125 0.922 1.00 53.55 H new ATOM 0 HA VAL A 17 6.215 7.498 2.261 1.00 21.12 H new ATOM 0 HB VAL A 17 8.473 8.641 0.647 1.00 50.44 H new ATOM 0 HG11 VAL A 17 9.273 6.291 0.639 1.00 31.43 H new ATOM 0 HG12 VAL A 17 9.099 6.956 2.281 1.00 31.43 H new ATOM 0 HG13 VAL A 17 7.874 5.835 1.640 1.00 31.43 H new ATOM 0 HG21 VAL A 17 7.960 7.148 -1.184 1.00 42.12 H new ATOM 0 HG22 VAL A 17 6.406 6.757 -0.409 1.00 42.12 H new ATOM 0 HG23 VAL A 17 6.742 8.423 -0.938 1.00 42.12 H new ATOM 280 N GLY A 18 7.747 8.674 3.999 1.00 43.30 N ATOM 281 CA GLY A 18 8.496 9.420 4.946 1.00 5.23 C ATOM 282 C GLY A 18 9.256 8.542 5.865 1.00 33.44 C ATOM 283 O GLY A 18 8.956 7.337 5.976 1.00 54.02 O ATOM 0 H GLY A 18 7.415 7.764 4.318 1.00 43.30 H new ATOM 0 HA2 GLY A 18 9.186 10.082 4.423 1.00 5.23 H new ATOM 0 HA3 GLY A 18 7.823 10.054 5.523 1.00 5.23 H new ATOM 287 N PRO A 19 10.270 9.065 6.516 1.00 3.33 N ATOM 288 CA PRO A 19 11.022 8.317 7.447 1.00 24.41 C ATOM 289 C PRO A 19 10.362 8.307 8.829 1.00 14.42 C ATOM 290 O PRO A 19 10.569 9.198 9.662 1.00 53.40 O ATOM 291 CB PRO A 19 12.365 8.995 7.445 1.00 12.52 C ATOM 292 CG PRO A 19 12.063 10.436 7.174 1.00 51.22 C ATOM 293 CD PRO A 19 10.774 10.453 6.388 1.00 53.14 C ATOM 0 HA PRO A 19 11.099 7.262 7.186 1.00 24.41 H new ATOM 0 HB2 PRO A 19 12.873 8.870 8.401 1.00 12.52 H new ATOM 0 HB3 PRO A 19 13.019 8.577 6.680 1.00 12.52 H new ATOM 0 HG2 PRO A 19 11.959 10.994 8.105 1.00 51.22 H new ATOM 0 HG3 PRO A 19 12.870 10.904 6.610 1.00 51.22 H new ATOM 0 HD2 PRO A 19 10.066 11.176 6.794 1.00 53.14 H new ATOM 0 HD3 PRO A 19 10.943 10.724 5.346 1.00 53.14 H new ATOM 301 N GLU A 20 9.517 7.329 9.022 1.00 24.11 N ATOM 302 CA GLU A 20 8.755 7.189 10.248 1.00 40.24 C ATOM 303 C GLU A 20 8.598 5.709 10.601 1.00 12.21 C ATOM 304 O GLU A 20 7.708 5.314 11.350 1.00 42.45 O ATOM 305 CB GLU A 20 7.394 7.871 10.063 1.00 25.33 C ATOM 306 CG GLU A 20 6.574 7.305 8.923 1.00 54.13 C ATOM 307 CD GLU A 20 5.344 8.098 8.635 1.00 72.23 C ATOM 308 OE1 GLU A 20 5.434 9.088 7.898 1.00 71.54 O ATOM 309 OE2 GLU A 20 4.256 7.739 9.124 1.00 33.20 O ATOM 0 H GLU A 20 9.333 6.600 8.333 1.00 24.11 H new ATOM 0 HA GLU A 20 9.278 7.669 11.075 1.00 40.24 H new ATOM 0 HB2 GLU A 20 6.824 7.780 10.988 1.00 25.33 H new ATOM 0 HB3 GLU A 20 7.553 8.935 9.890 1.00 25.33 H new ATOM 0 HG2 GLU A 20 7.191 7.264 8.025 1.00 54.13 H new ATOM 0 HG3 GLU A 20 6.290 6.280 9.162 1.00 54.13 H new ATOM 316 N ALA A 21 9.487 4.901 10.076 1.00 13.02 N ATOM 317 CA ALA A 21 9.478 3.482 10.356 1.00 25.52 C ATOM 318 C ALA A 21 10.644 3.162 11.264 1.00 65.21 C ATOM 319 O ALA A 21 11.604 3.947 11.340 1.00 42.31 O ATOM 320 CB ALA A 21 9.563 2.682 9.067 1.00 4.04 C ATOM 0 H ALA A 21 10.232 5.203 9.448 1.00 13.02 H new ATOM 0 HA ALA A 21 8.545 3.210 10.850 1.00 25.52 H new ATOM 0 HB1 ALA A 21 9.555 1.617 9.299 1.00 4.04 H new ATOM 0 HB2 ALA A 21 8.710 2.922 8.433 1.00 4.04 H new ATOM 0 HB3 ALA A 21 10.486 2.932 8.544 1.00 4.04 H new ATOM 326 N GLU A 22 10.577 2.057 11.955 1.00 62.43 N ATOM 327 CA GLU A 22 11.641 1.673 12.848 1.00 51.00 C ATOM 328 C GLU A 22 12.723 0.868 12.139 1.00 13.03 C ATOM 329 O GLU A 22 12.460 0.243 11.103 1.00 4.31 O ATOM 330 CB GLU A 22 11.103 1.018 14.147 1.00 60.34 C ATOM 331 CG GLU A 22 10.081 -0.121 13.976 1.00 64.32 C ATOM 332 CD GLU A 22 10.620 -1.343 13.281 1.00 54.23 C ATOM 333 OE1 GLU A 22 11.450 -2.051 13.879 1.00 14.13 O ATOM 334 OE2 GLU A 22 10.183 -1.638 12.142 1.00 52.13 O ATOM 0 H GLU A 22 9.795 1.403 11.918 1.00 62.43 H new ATOM 0 HA GLU A 22 12.140 2.584 13.178 1.00 51.00 H new ATOM 0 HB2 GLU A 22 11.952 0.631 14.710 1.00 60.34 H new ATOM 0 HB3 GLU A 22 10.645 1.797 14.756 1.00 60.34 H new ATOM 0 HG2 GLU A 22 9.711 -0.411 14.959 1.00 64.32 H new ATOM 0 HG3 GLU A 22 9.227 0.255 13.413 1.00 64.32 H new ATOM 341 N GLY A 23 13.929 0.904 12.684 1.00 14.31 N ATOM 342 CA GLY A 23 15.056 0.250 12.051 1.00 21.53 C ATOM 343 C GLY A 23 15.579 -0.907 12.859 1.00 12.35 C ATOM 344 O GLY A 23 16.462 -0.721 13.708 1.00 73.23 O ATOM 0 H GLY A 23 14.149 1.378 13.560 1.00 14.31 H new ATOM 0 HA2 GLY A 23 14.759 -0.105 11.064 1.00 21.53 H new ATOM 0 HA3 GLY A 23 15.856 0.975 11.901 1.00 21.53 H new ATOM 348 N PRO A 24 15.065 -2.117 12.621 1.00 61.30 N ATOM 349 CA PRO A 24 15.462 -3.308 13.376 1.00 52.43 C ATOM 350 C PRO A 24 16.890 -3.806 13.053 1.00 15.23 C ATOM 351 O PRO A 24 17.802 -3.718 13.886 1.00 54.13 O ATOM 352 CB PRO A 24 14.414 -4.355 12.965 1.00 60.52 C ATOM 353 CG PRO A 24 13.944 -3.916 11.610 1.00 35.31 C ATOM 354 CD PRO A 24 14.020 -2.417 11.604 1.00 74.21 C ATOM 0 HA PRO A 24 15.494 -3.103 14.446 1.00 52.43 H new ATOM 0 HB2 PRO A 24 14.847 -5.355 12.929 1.00 60.52 H new ATOM 0 HB3 PRO A 24 13.590 -4.390 13.677 1.00 60.52 H new ATOM 0 HG2 PRO A 24 14.570 -4.340 10.825 1.00 35.31 H new ATOM 0 HG3 PRO A 24 12.925 -4.255 11.423 1.00 35.31 H new ATOM 0 HD2 PRO A 24 14.294 -2.033 10.621 1.00 74.21 H new ATOM 0 HD3 PRO A 24 13.063 -1.966 11.867 1.00 74.21 H new ATOM 362 N ARG A 25 17.074 -4.313 11.849 1.00 21.45 N ATOM 363 CA ARG A 25 18.335 -4.876 11.411 1.00 4.42 C ATOM 364 C ARG A 25 18.545 -4.521 9.954 1.00 5.35 C ATOM 365 O ARG A 25 17.823 -3.669 9.412 1.00 42.11 O ATOM 366 CB ARG A 25 18.324 -6.413 11.572 1.00 32.22 C ATOM 367 CG ARG A 25 18.190 -6.921 13.002 1.00 43.01 C ATOM 368 CD ARG A 25 18.157 -8.440 13.035 1.00 3.14 C ATOM 369 NE ARG A 25 19.367 -9.027 12.446 1.00 34.05 N ATOM 370 CZ ARG A 25 19.463 -10.267 11.958 1.00 62.40 C ATOM 371 NH1 ARG A 25 18.431 -11.094 12.031 1.00 14.32 N ATOM 372 NH2 ARG A 25 20.594 -10.670 11.405 1.00 11.00 N ATOM 0 H ARG A 25 16.342 -4.345 11.139 1.00 21.45 H new ATOM 0 HA ARG A 25 19.143 -4.470 12.019 1.00 4.42 H new ATOM 0 HB2 ARG A 25 17.501 -6.817 10.983 1.00 32.22 H new ATOM 0 HB3 ARG A 25 19.245 -6.812 11.148 1.00 32.22 H new ATOM 0 HG2 ARG A 25 19.025 -6.558 13.601 1.00 43.01 H new ATOM 0 HG3 ARG A 25 17.279 -6.523 13.450 1.00 43.01 H new ATOM 0 HD2 ARG A 25 18.054 -8.779 14.066 1.00 3.14 H new ATOM 0 HD3 ARG A 25 17.280 -8.796 12.494 1.00 3.14 H new ATOM 0 HE ARG A 25 20.201 -8.441 12.406 1.00 34.05 H new ATOM 0 HH11 ARG A 25 17.559 -10.785 12.461 1.00 14.32 H new ATOM 0 HH12 ARG A 25 18.508 -12.040 11.657 1.00 14.32 H new ATOM 0 HH21 ARG A 25 21.390 -10.035 11.352 1.00 11.00 H new ATOM 0 HH22 ARG A 25 20.670 -11.616 11.032 1.00 11.00 H new ATOM 386 N GLN A 26 19.530 -5.146 9.327 1.00 54.15 N ATOM 387 CA GLN A 26 19.813 -4.934 7.921 1.00 73.24 C ATOM 388 C GLN A 26 18.694 -5.487 7.053 1.00 63.11 C ATOM 389 O GLN A 26 18.600 -6.708 6.825 1.00 40.10 O ATOM 390 CB GLN A 26 21.150 -5.583 7.527 1.00 41.53 C ATOM 391 CG GLN A 26 21.514 -5.452 6.051 1.00 62.54 C ATOM 392 CD GLN A 26 22.825 -6.124 5.706 1.00 63.10 C ATOM 393 OE1 GLN A 26 23.742 -6.203 6.529 1.00 60.25 O ATOM 394 NE2 GLN A 26 22.921 -6.627 4.510 1.00 71.41 N ATOM 0 H GLN A 26 20.154 -5.813 9.781 1.00 54.15 H new ATOM 0 HA GLN A 26 19.884 -3.859 7.756 1.00 73.24 H new ATOM 0 HB2 GLN A 26 21.945 -5.136 8.124 1.00 41.53 H new ATOM 0 HB3 GLN A 26 21.114 -6.641 7.785 1.00 41.53 H new ATOM 0 HG2 GLN A 26 20.718 -5.887 5.446 1.00 62.54 H new ATOM 0 HG3 GLN A 26 21.573 -4.396 5.789 1.00 62.54 H new ATOM 0 HE21 GLN A 26 22.142 -6.542 3.857 1.00 71.41 H new ATOM 0 HE22 GLN A 26 23.775 -7.106 4.225 1.00 71.41 H new ATOM 403 N SER A 27 17.841 -4.612 6.619 1.00 64.11 N ATOM 404 CA SER A 27 16.795 -4.947 5.708 1.00 12.31 C ATOM 405 C SER A 27 17.313 -4.676 4.285 1.00 25.44 C ATOM 406 O SER A 27 18.283 -3.910 4.141 1.00 4.24 O ATOM 407 CB SER A 27 15.565 -4.088 6.039 1.00 50.31 C ATOM 408 OG SER A 27 15.099 -4.356 7.351 1.00 14.00 O ATOM 0 H SER A 27 17.853 -3.630 6.893 1.00 64.11 H new ATOM 0 HA SER A 27 16.504 -5.995 5.785 1.00 12.31 H new ATOM 0 HB2 SER A 27 15.819 -3.032 5.948 1.00 50.31 H new ATOM 0 HB3 SER A 27 14.772 -4.289 5.319 1.00 50.31 H new ATOM 0 HG SER A 27 14.131 -4.211 7.390 1.00 14.00 H new ATOM 414 N PRO A 28 16.723 -5.332 3.218 1.00 1.51 N ATOM 415 CA PRO A 28 17.135 -5.119 1.803 1.00 61.23 C ATOM 416 C PRO A 28 17.295 -3.634 1.507 1.00 71.23 C ATOM 417 O PRO A 28 18.338 -3.180 1.026 1.00 54.15 O ATOM 418 CB PRO A 28 15.961 -5.701 1.022 1.00 3.41 C ATOM 419 CG PRO A 28 15.458 -6.802 1.892 1.00 24.34 C ATOM 420 CD PRO A 28 15.640 -6.336 3.319 1.00 23.20 C ATOM 0 HA PRO A 28 18.092 -5.577 1.555 1.00 61.23 H new ATOM 0 HB2 PRO A 28 15.191 -4.951 0.842 1.00 3.41 H new ATOM 0 HB3 PRO A 28 16.276 -6.075 0.048 1.00 3.41 H new ATOM 0 HG2 PRO A 28 14.409 -7.013 1.683 1.00 24.34 H new ATOM 0 HG3 PRO A 28 16.011 -7.724 1.711 1.00 24.34 H new ATOM 0 HD2 PRO A 28 14.724 -5.900 3.719 1.00 23.20 H new ATOM 0 HD3 PRO A 28 15.916 -7.159 3.978 1.00 23.20 H new ATOM 428 N GLU A 29 16.266 -2.898 1.811 1.00 32.14 N ATOM 429 CA GLU A 29 16.335 -1.481 1.808 1.00 1.51 C ATOM 430 C GLU A 29 16.230 -1.083 3.256 1.00 53.42 C ATOM 431 O GLU A 29 15.659 -1.834 4.043 1.00 22.15 O ATOM 432 CB GLU A 29 15.215 -0.833 0.989 1.00 63.10 C ATOM 433 CG GLU A 29 15.328 0.694 0.964 1.00 15.41 C ATOM 434 CD GLU A 29 14.232 1.386 0.224 1.00 72.44 C ATOM 435 OE1 GLU A 29 13.139 1.529 0.796 1.00 61.03 O ATOM 436 OE2 GLU A 29 14.454 1.831 -0.913 1.00 30.15 O ATOM 0 H GLU A 29 15.354 -3.274 2.068 1.00 32.14 H new ATOM 0 HA GLU A 29 17.260 -1.142 1.341 1.00 1.51 H new ATOM 0 HB2 GLU A 29 15.245 -1.215 -0.031 1.00 63.10 H new ATOM 0 HB3 GLU A 29 14.250 -1.118 1.407 1.00 63.10 H new ATOM 0 HG2 GLU A 29 15.344 1.061 1.990 1.00 15.41 H new ATOM 0 HG3 GLU A 29 16.282 0.967 0.513 1.00 15.41 H new ATOM 443 N LYS A 30 16.728 0.063 3.590 1.00 72.51 N ATOM 444 CA LYS A 30 16.805 0.509 4.949 1.00 65.35 C ATOM 445 C LYS A 30 15.430 0.660 5.517 1.00 24.31 C ATOM 446 O LYS A 30 14.561 1.307 4.920 1.00 70.00 O ATOM 447 CB LYS A 30 17.568 1.827 5.028 1.00 70.15 C ATOM 448 CG LYS A 30 18.996 1.739 4.512 1.00 44.23 C ATOM 449 CD LYS A 30 19.858 0.817 5.365 1.00 42.43 C ATOM 450 CE LYS A 30 21.290 0.758 4.848 1.00 15.40 C ATOM 451 NZ LYS A 30 21.365 0.224 3.466 1.00 73.13 N ATOM 0 H LYS A 30 17.101 0.731 2.915 1.00 72.51 H new ATOM 0 HA LYS A 30 17.343 -0.235 5.537 1.00 65.35 H new ATOM 0 HB2 LYS A 30 17.030 2.583 4.456 1.00 70.15 H new ATOM 0 HB3 LYS A 30 17.586 2.165 6.064 1.00 70.15 H new ATOM 0 HG2 LYS A 30 18.988 1.378 3.484 1.00 44.23 H new ATOM 0 HG3 LYS A 30 19.437 2.736 4.496 1.00 44.23 H new ATOM 0 HD2 LYS A 30 19.857 1.167 6.397 1.00 42.43 H new ATOM 0 HD3 LYS A 30 19.429 -0.185 5.368 1.00 42.43 H new ATOM 0 HE2 LYS A 30 21.725 1.757 4.874 1.00 15.40 H new ATOM 0 HE3 LYS A 30 21.888 0.132 5.510 1.00 15.40 H new ATOM 0 HZ1 LYS A 30 22.353 -0.005 3.236 1.00 73.13 H new ATOM 0 HZ2 LYS A 30 20.784 -0.636 3.394 1.00 73.13 H new ATOM 0 HZ3 LYS A 30 21.011 0.938 2.798 1.00 73.13 H new ATOM 465 N SER A 31 15.213 0.045 6.620 1.00 22.11 N ATOM 466 CA SER A 31 13.967 0.127 7.244 1.00 65.11 C ATOM 467 C SER A 31 13.934 1.310 8.170 1.00 3.13 C ATOM 468 O SER A 31 14.355 1.231 9.304 1.00 33.13 O ATOM 469 CB SER A 31 13.630 -1.173 7.990 1.00 2.43 C ATOM 470 OG SER A 31 12.382 -1.076 8.664 1.00 72.22 O ATOM 0 H SER A 31 15.902 -0.528 7.108 1.00 22.11 H new ATOM 0 HA SER A 31 13.205 0.265 6.477 1.00 65.11 H new ATOM 0 HB2 SER A 31 13.600 -2.002 7.283 1.00 2.43 H new ATOM 0 HB3 SER A 31 14.418 -1.396 8.710 1.00 2.43 H new ATOM 0 HG SER A 31 12.507 -0.613 9.519 1.00 72.22 H new ATOM 476 N HIS A 32 13.544 2.433 7.644 1.00 32.44 N ATOM 477 CA HIS A 32 13.267 3.570 8.477 1.00 60.22 C ATOM 478 C HIS A 32 12.292 4.510 7.731 1.00 41.15 C ATOM 479 O HIS A 32 11.810 5.499 8.273 1.00 52.10 O ATOM 480 CB HIS A 32 14.585 4.301 8.855 1.00 2.02 C ATOM 481 CG HIS A 32 14.435 5.426 9.849 1.00 13.01 C ATOM 482 ND1 HIS A 32 14.486 5.241 11.213 1.00 32.35 N ATOM 483 CD2 HIS A 32 14.246 6.750 9.669 1.00 14.00 C ATOM 484 CE1 HIS A 32 14.333 6.397 11.819 1.00 34.12 C ATOM 485 NE2 HIS A 32 14.185 7.324 10.905 1.00 33.44 N ATOM 0 H HIS A 32 13.410 2.588 6.645 1.00 32.44 H new ATOM 0 HA HIS A 32 12.801 3.244 9.407 1.00 60.22 H new ATOM 0 HB2 HIS A 32 15.283 3.569 9.262 1.00 2.02 H new ATOM 0 HB3 HIS A 32 15.034 4.699 7.945 1.00 2.02 H new ATOM 0 HD2 HIS A 32 14.159 7.261 8.721 1.00 14.00 H new ATOM 0 HE1 HIS A 32 14.330 6.556 12.887 1.00 34.12 H new ATOM 0 HE2 HIS A 32 14.046 8.318 11.089 1.00 33.44 H new ATOM 494 N MET A 33 11.963 4.138 6.513 1.00 31.02 N ATOM 495 CA MET A 33 11.036 4.871 5.675 1.00 21.21 C ATOM 496 C MET A 33 9.887 4.037 5.314 1.00 14.23 C ATOM 497 O MET A 33 10.023 2.840 5.048 1.00 23.21 O ATOM 498 CB MET A 33 11.692 5.385 4.407 1.00 13.33 C ATOM 499 CG MET A 33 12.461 6.667 4.573 1.00 64.25 C ATOM 500 SD MET A 33 13.509 7.038 3.187 1.00 1.32 S ATOM 501 CE MET A 33 12.272 7.227 1.938 1.00 25.33 C ATOM 0 H MET A 33 12.339 3.301 6.068 1.00 31.02 H new ATOM 0 HA MET A 33 10.701 5.727 6.261 1.00 21.21 H new ATOM 0 HB2 MET A 33 12.367 4.619 4.027 1.00 13.33 H new ATOM 0 HB3 MET A 33 10.922 5.534 3.650 1.00 13.33 H new ATOM 0 HG2 MET A 33 11.759 7.488 4.720 1.00 64.25 H new ATOM 0 HG3 MET A 33 13.070 6.604 5.475 1.00 64.25 H new ATOM 0 HE1 MET A 33 12.210 6.314 1.346 1.00 25.33 H new ATOM 0 HE2 MET A 33 11.308 7.421 2.407 1.00 25.33 H new ATOM 0 HE3 MET A 33 12.535 8.063 1.289 1.00 25.33 H new ATOM 511 N VAL A 34 8.777 4.636 5.286 1.00 72.22 N ATOM 512 CA VAL A 34 7.585 3.945 4.963 1.00 61.22 C ATOM 513 C VAL A 34 6.665 4.829 4.134 1.00 61.51 C ATOM 514 O VAL A 34 6.579 6.038 4.363 1.00 65.33 O ATOM 515 CB VAL A 34 6.894 3.419 6.254 1.00 21.12 C ATOM 516 CG1 VAL A 34 6.626 4.526 7.230 1.00 44.31 C ATOM 517 CG2 VAL A 34 5.630 2.715 5.940 1.00 1.43 C ATOM 0 H VAL A 34 8.654 5.629 5.486 1.00 72.22 H new ATOM 0 HA VAL A 34 7.830 3.076 4.353 1.00 61.22 H new ATOM 0 HB VAL A 34 7.586 2.713 6.714 1.00 21.12 H new ATOM 0 HG11 VAL A 34 6.143 4.119 8.118 1.00 44.31 H new ATOM 0 HG12 VAL A 34 7.567 4.998 7.513 1.00 44.31 H new ATOM 0 HG13 VAL A 34 5.973 5.267 6.769 1.00 44.31 H new ATOM 0 HG21 VAL A 34 5.172 2.360 6.863 1.00 1.43 H new ATOM 0 HG22 VAL A 34 4.948 3.400 5.437 1.00 1.43 H new ATOM 0 HG23 VAL A 34 5.838 1.866 5.289 1.00 1.43 H new ATOM 527 N PHE A 35 6.043 4.242 3.138 1.00 12.25 N ATOM 528 CA PHE A 35 5.107 4.953 2.309 1.00 1.13 C ATOM 529 C PHE A 35 3.708 4.557 2.631 1.00 61.23 C ATOM 530 O PHE A 35 3.446 3.409 2.942 1.00 30.30 O ATOM 531 CB PHE A 35 5.422 4.832 0.796 1.00 44.14 C ATOM 532 CG PHE A 35 5.641 3.441 0.246 1.00 34.41 C ATOM 533 CD1 PHE A 35 4.592 2.585 0.027 1.00 31.51 C ATOM 534 CD2 PHE A 35 6.914 3.014 -0.055 1.00 0.15 C ATOM 535 CE1 PHE A 35 4.804 1.316 -0.484 1.00 63.43 C ATOM 536 CE2 PHE A 35 7.140 1.750 -0.565 1.00 33.32 C ATOM 537 CZ PHE A 35 6.082 0.899 -0.780 1.00 51.33 C ATOM 0 H PHE A 35 6.173 3.263 2.883 1.00 12.25 H new ATOM 0 HA PHE A 35 5.215 6.013 2.541 1.00 1.13 H new ATOM 0 HB2 PHE A 35 4.602 5.289 0.242 1.00 44.14 H new ATOM 0 HB3 PHE A 35 6.315 5.422 0.588 1.00 44.14 H new ATOM 0 HD1 PHE A 35 3.586 2.905 0.256 1.00 31.51 H new ATOM 0 HD2 PHE A 35 7.750 3.678 0.110 1.00 0.15 H new ATOM 0 HE1 PHE A 35 3.967 0.654 -0.650 1.00 63.43 H new ATOM 0 HE2 PHE A 35 8.146 1.431 -0.794 1.00 33.32 H new ATOM 0 HZ PHE A 35 6.252 -0.090 -1.179 1.00 51.33 H new ATOM 547 N ARG A 36 2.818 5.499 2.595 1.00 53.12 N ATOM 548 CA ARG A 36 1.447 5.214 2.888 1.00 41.25 C ATOM 549 C ARG A 36 0.724 4.878 1.620 1.00 42.02 C ATOM 550 O ARG A 36 0.602 5.723 0.733 1.00 53.12 O ATOM 551 CB ARG A 36 0.708 6.381 3.560 1.00 61.35 C ATOM 552 CG ARG A 36 1.231 6.881 4.910 1.00 15.45 C ATOM 553 CD ARG A 36 2.429 7.810 4.781 1.00 20.12 C ATOM 554 NE ARG A 36 2.832 8.336 6.087 1.00 42.45 N ATOM 555 CZ ARG A 36 2.299 9.427 6.697 1.00 42.33 C ATOM 556 NH1 ARG A 36 1.326 10.149 6.106 1.00 61.42 N ATOM 557 NH2 ARG A 36 2.748 9.788 7.888 1.00 1.13 N ATOM 0 H ARG A 36 3.016 6.473 2.366 1.00 53.12 H new ATOM 0 HA ARG A 36 1.453 4.378 3.587 1.00 41.25 H new ATOM 0 HB2 ARG A 36 0.713 7.223 2.867 1.00 61.35 H new ATOM 0 HB3 ARG A 36 -0.332 6.085 3.694 1.00 61.35 H new ATOM 0 HG2 ARG A 36 0.429 7.403 5.432 1.00 15.45 H new ATOM 0 HG3 ARG A 36 1.508 6.025 5.525 1.00 15.45 H new ATOM 0 HD2 ARG A 36 3.263 7.273 4.329 1.00 20.12 H new ATOM 0 HD3 ARG A 36 2.183 8.636 4.113 1.00 20.12 H new ATOM 0 HE ARG A 36 3.575 7.842 6.580 1.00 42.45 H new ATOM 0 HH11 ARG A 36 0.978 9.879 5.186 1.00 61.42 H new ATOM 0 HH12 ARG A 36 0.938 10.965 6.579 1.00 61.42 H new ATOM 0 HH21 ARG A 36 3.487 9.249 8.339 1.00 1.13 H new ATOM 0 HH22 ARG A 36 2.355 10.605 8.355 1.00 1.13 H new ATOM 571 N VAL A 37 0.262 3.671 1.518 1.00 41.45 N ATOM 572 CA VAL A 37 -0.518 3.279 0.394 1.00 32.54 C ATOM 573 C VAL A 37 -1.986 3.457 0.767 1.00 44.41 C ATOM 574 O VAL A 37 -2.507 2.801 1.673 1.00 54.34 O ATOM 575 CB VAL A 37 -0.177 1.820 -0.118 1.00 44.21 C ATOM 576 CG1 VAL A 37 1.298 1.722 -0.429 1.00 53.40 C ATOM 577 CG2 VAL A 37 -0.561 0.712 0.864 1.00 60.51 C ATOM 0 H VAL A 37 0.415 2.936 2.209 1.00 41.45 H new ATOM 0 HA VAL A 37 -0.279 3.914 -0.459 1.00 32.54 H new ATOM 0 HB VAL A 37 -0.778 1.664 -1.014 1.00 44.21 H new ATOM 0 HG11 VAL A 37 1.530 0.717 -0.781 1.00 53.40 H new ATOM 0 HG12 VAL A 37 1.556 2.446 -1.202 1.00 53.40 H new ATOM 0 HG13 VAL A 37 1.875 1.933 0.472 1.00 53.40 H new ATOM 0 HG21 VAL A 37 -0.296 -0.257 0.441 1.00 60.51 H new ATOM 0 HG22 VAL A 37 -0.027 0.857 1.803 1.00 60.51 H new ATOM 0 HG23 VAL A 37 -1.635 0.746 1.049 1.00 60.51 H new ATOM 587 N GLU A 38 -2.628 4.393 0.143 1.00 22.13 N ATOM 588 CA GLU A 38 -3.975 4.703 0.496 1.00 14.15 C ATOM 589 C GLU A 38 -4.922 4.077 -0.492 1.00 65.42 C ATOM 590 O GLU A 38 -4.889 4.387 -1.696 1.00 65.54 O ATOM 591 CB GLU A 38 -4.179 6.208 0.578 1.00 0.01 C ATOM 592 CG GLU A 38 -5.535 6.604 1.114 1.00 44.21 C ATOM 593 CD GLU A 38 -5.714 8.091 1.159 1.00 13.14 C ATOM 594 OE1 GLU A 38 -5.311 8.710 2.155 1.00 3.04 O ATOM 595 OE2 GLU A 38 -6.248 8.672 0.194 1.00 54.34 O ATOM 0 H GLU A 38 -2.240 4.956 -0.614 1.00 22.13 H new ATOM 0 HA GLU A 38 -4.185 4.290 1.482 1.00 14.15 H new ATOM 0 HB2 GLU A 38 -3.406 6.637 1.215 1.00 0.01 H new ATOM 0 HB3 GLU A 38 -4.050 6.639 -0.415 1.00 0.01 H new ATOM 0 HG2 GLU A 38 -6.313 6.165 0.489 1.00 44.21 H new ATOM 0 HG3 GLU A 38 -5.662 6.194 2.116 1.00 44.21 H new ATOM 602 N VAL A 39 -5.744 3.197 0.003 1.00 3.44 N ATOM 603 CA VAL A 39 -6.675 2.481 -0.817 1.00 51.15 C ATOM 604 C VAL A 39 -8.102 2.762 -0.329 1.00 4.51 C ATOM 605 O VAL A 39 -8.419 2.544 0.860 1.00 43.35 O ATOM 606 CB VAL A 39 -6.423 0.946 -0.741 1.00 51.12 C ATOM 607 CG1 VAL A 39 -7.283 0.188 -1.731 1.00 73.04 C ATOM 608 CG2 VAL A 39 -4.941 0.580 -0.879 1.00 2.22 C ATOM 0 H VAL A 39 -5.786 2.955 0.993 1.00 3.44 H new ATOM 0 HA VAL A 39 -6.545 2.813 -1.847 1.00 51.15 H new ATOM 0 HB VAL A 39 -6.723 0.635 0.260 1.00 51.12 H new ATOM 0 HG11 VAL A 39 -7.079 -0.879 -1.648 1.00 73.04 H new ATOM 0 HG12 VAL A 39 -8.335 0.374 -1.516 1.00 73.04 H new ATOM 0 HG13 VAL A 39 -7.055 0.523 -2.743 1.00 73.04 H new ATOM 0 HG21 VAL A 39 -4.826 -0.502 -0.818 1.00 2.22 H new ATOM 0 HG22 VAL A 39 -4.568 0.931 -1.841 1.00 2.22 H new ATOM 0 HG23 VAL A 39 -4.374 1.050 -0.076 1.00 2.22 H new ATOM 618 N LEU A 40 -8.925 3.277 -1.206 1.00 1.45 N ATOM 619 CA LEU A 40 -10.328 3.489 -0.922 1.00 32.11 C ATOM 620 C LEU A 40 -11.076 2.300 -1.451 1.00 54.12 C ATOM 621 O LEU A 40 -10.971 1.989 -2.616 1.00 55.04 O ATOM 622 CB LEU A 40 -10.817 4.819 -1.572 1.00 11.21 C ATOM 623 CG LEU A 40 -12.281 5.299 -1.309 1.00 24.41 C ATOM 624 CD1 LEU A 40 -12.433 6.734 -1.765 1.00 2.13 C ATOM 625 CD2 LEU A 40 -13.305 4.452 -2.057 1.00 3.51 C ATOM 0 H LEU A 40 -8.643 3.564 -2.143 1.00 1.45 H new ATOM 0 HA LEU A 40 -10.503 3.584 0.150 1.00 32.11 H new ATOM 0 HB2 LEU A 40 -10.147 5.612 -1.242 1.00 11.21 H new ATOM 0 HB3 LEU A 40 -10.691 4.724 -2.650 1.00 11.21 H new ATOM 0 HG LEU A 40 -12.465 5.203 -0.239 1.00 24.41 H new ATOM 0 HD11 LEU A 40 -13.454 7.068 -1.581 1.00 2.13 H new ATOM 0 HD12 LEU A 40 -11.739 7.367 -1.212 1.00 2.13 H new ATOM 0 HD13 LEU A 40 -12.215 6.802 -2.831 1.00 2.13 H new ATOM 0 HD21 LEU A 40 -14.308 4.822 -1.844 1.00 3.51 H new ATOM 0 HD22 LEU A 40 -13.115 4.514 -3.129 1.00 3.51 H new ATOM 0 HD23 LEU A 40 -13.225 3.414 -1.733 1.00 3.51 H new ATOM 637 N CYS A 41 -11.806 1.644 -0.598 1.00 41.20 N ATOM 638 CA CYS A 41 -12.521 0.465 -0.973 1.00 14.03 C ATOM 639 C CYS A 41 -14.000 0.601 -0.667 1.00 64.34 C ATOM 640 O CYS A 41 -14.414 0.531 0.494 1.00 3.22 O ATOM 641 CB CYS A 41 -11.930 -0.752 -0.253 1.00 53.02 C ATOM 642 SG CYS A 41 -12.756 -2.316 -0.614 1.00 34.40 S ATOM 0 H CYS A 41 -11.921 1.914 0.379 1.00 41.20 H new ATOM 0 HA CYS A 41 -12.418 0.326 -2.049 1.00 14.03 H new ATOM 0 HB2 CYS A 41 -10.878 -0.842 -0.523 1.00 53.02 H new ATOM 0 HB3 CYS A 41 -11.969 -0.576 0.822 1.00 53.02 H new ATOM 0 HG CYS A 41 -14.031 -2.194 -0.393 1.00 34.40 H new ATOM 648 N SER A 42 -14.777 0.855 -1.722 1.00 51.11 N ATOM 649 CA SER A 42 -16.241 0.900 -1.680 1.00 20.41 C ATOM 650 C SER A 42 -16.789 1.950 -0.688 1.00 60.13 C ATOM 651 O SER A 42 -17.946 1.890 -0.277 1.00 21.24 O ATOM 652 CB SER A 42 -16.767 -0.502 -1.368 1.00 31.31 C ATOM 653 OG SER A 42 -16.276 -1.434 -2.337 1.00 3.21 O ATOM 0 H SER A 42 -14.398 1.039 -2.651 1.00 51.11 H new ATOM 0 HA SER A 42 -16.601 1.220 -2.658 1.00 20.41 H new ATOM 0 HB2 SER A 42 -16.453 -0.804 -0.369 1.00 31.31 H new ATOM 0 HB3 SER A 42 -17.857 -0.500 -1.372 1.00 31.31 H new ATOM 0 HG SER A 42 -15.975 -0.949 -3.134 1.00 3.21 H new ATOM 659 N GLY A 43 -15.967 2.918 -0.342 1.00 35.34 N ATOM 660 CA GLY A 43 -16.387 3.954 0.567 1.00 74.43 C ATOM 661 C GLY A 43 -15.387 4.162 1.663 1.00 15.15 C ATOM 662 O GLY A 43 -15.014 5.298 1.977 1.00 64.03 O ATOM 0 H GLY A 43 -15.008 3.006 -0.677 1.00 35.34 H new ATOM 0 HA2 GLY A 43 -16.527 4.886 0.019 1.00 74.43 H new ATOM 0 HA3 GLY A 43 -17.352 3.691 0.999 1.00 74.43 H new ATOM 666 N ARG A 44 -14.928 3.080 2.253 1.00 50.42 N ATOM 667 CA ARG A 44 -13.929 3.192 3.292 1.00 30.42 C ATOM 668 C ARG A 44 -12.581 3.477 2.668 1.00 12.20 C ATOM 669 O ARG A 44 -12.124 2.723 1.821 1.00 62.24 O ATOM 670 CB ARG A 44 -13.827 1.916 4.169 1.00 11.34 C ATOM 671 CG ARG A 44 -14.954 1.676 5.190 1.00 42.31 C ATOM 672 CD ARG A 44 -16.316 1.398 4.583 1.00 43.01 C ATOM 673 NE ARG A 44 -17.308 1.187 5.652 1.00 20.22 N ATOM 674 CZ ARG A 44 -18.496 0.591 5.527 1.00 25.01 C ATOM 675 NH1 ARG A 44 -18.905 0.141 4.354 1.00 55.41 N ATOM 676 NH2 ARG A 44 -19.283 0.448 6.597 1.00 52.01 N ATOM 0 H ARG A 44 -15.224 2.128 2.036 1.00 50.42 H new ATOM 0 HA ARG A 44 -14.235 4.011 3.943 1.00 30.42 H new ATOM 0 HB2 ARG A 44 -13.782 1.052 3.506 1.00 11.34 H new ATOM 0 HB3 ARG A 44 -12.882 1.952 4.711 1.00 11.34 H new ATOM 0 HG2 ARG A 44 -14.676 0.834 5.825 1.00 42.31 H new ATOM 0 HG3 ARG A 44 -15.032 2.550 5.836 1.00 42.31 H new ATOM 0 HD2 ARG A 44 -16.620 2.233 3.952 1.00 43.01 H new ATOM 0 HD3 ARG A 44 -16.266 0.517 3.943 1.00 43.01 H new ATOM 0 HE ARG A 44 -17.062 1.531 6.580 1.00 20.22 H new ATOM 0 HH11 ARG A 44 -18.311 0.247 3.532 1.00 55.41 H new ATOM 0 HH12 ARG A 44 -19.815 -0.313 4.271 1.00 55.41 H new ATOM 0 HH21 ARG A 44 -18.976 0.794 7.506 1.00 52.01 H new ATOM 0 HH22 ARG A 44 -20.191 -0.007 6.505 1.00 52.01 H new ATOM 690 N ARG A 45 -11.938 4.542 3.076 1.00 10.21 N ATOM 691 CA ARG A 45 -10.632 4.834 2.547 1.00 43.34 C ATOM 692 C ARG A 45 -9.619 4.757 3.636 1.00 71.05 C ATOM 693 O ARG A 45 -9.807 5.306 4.703 1.00 53.50 O ATOM 694 CB ARG A 45 -10.506 6.163 1.752 1.00 60.05 C ATOM 695 CG ARG A 45 -10.704 7.476 2.515 1.00 0.41 C ATOM 696 CD ARG A 45 -12.148 8.012 2.548 1.00 63.12 C ATOM 697 NE ARG A 45 -13.133 7.178 3.250 1.00 34.24 N ATOM 698 CZ ARG A 45 -13.524 7.404 4.519 1.00 33.54 C ATOM 699 NH1 ARG A 45 -12.802 8.198 5.313 1.00 51.11 N ATOM 700 NH2 ARG A 45 -14.600 6.801 4.998 1.00 21.10 N ATOM 0 H ARG A 45 -12.291 5.210 3.761 1.00 10.21 H new ATOM 0 HA ARG A 45 -10.445 4.066 1.796 1.00 43.34 H new ATOM 0 HB2 ARG A 45 -9.516 6.187 1.296 1.00 60.05 H new ATOM 0 HB3 ARG A 45 -11.231 6.136 0.939 1.00 60.05 H new ATOM 0 HG2 ARG A 45 -10.364 7.335 3.541 1.00 0.41 H new ATOM 0 HG3 ARG A 45 -10.063 8.236 2.068 1.00 0.41 H new ATOM 0 HD2 ARG A 45 -12.137 8.997 3.015 1.00 63.12 H new ATOM 0 HD3 ARG A 45 -12.486 8.150 1.521 1.00 63.12 H new ATOM 0 HE ARG A 45 -13.542 6.388 2.751 1.00 34.24 H new ATOM 0 HH11 ARG A 45 -11.951 8.636 4.959 1.00 51.11 H new ATOM 0 HH12 ARG A 45 -13.101 8.367 6.273 1.00 51.11 H new ATOM 0 HH21 ARG A 45 -15.134 6.165 4.406 1.00 21.10 H new ATOM 0 HH22 ARG A 45 -14.895 6.973 5.959 1.00 21.10 H new ATOM 714 N HIS A 46 -8.564 4.061 3.386 1.00 71.22 N ATOM 715 CA HIS A 46 -7.561 3.872 4.395 1.00 61.53 C ATOM 716 C HIS A 46 -6.160 3.993 3.913 1.00 31.12 C ATOM 717 O HIS A 46 -5.741 3.332 2.958 1.00 53.40 O ATOM 718 CB HIS A 46 -7.791 2.628 5.263 1.00 13.15 C ATOM 719 CG HIS A 46 -8.346 1.430 4.550 1.00 22.42 C ATOM 720 ND1 HIS A 46 -9.641 1.016 4.738 1.00 61.22 N ATOM 721 CD2 HIS A 46 -7.801 0.563 3.664 1.00 64.15 C ATOM 722 CE1 HIS A 46 -9.881 -0.042 4.006 1.00 64.25 C ATOM 723 NE2 HIS A 46 -8.785 -0.343 3.340 1.00 63.22 N ATOM 0 H HIS A 46 -8.367 3.610 2.493 1.00 71.22 H new ATOM 0 HA HIS A 46 -7.695 4.728 5.056 1.00 61.53 H new ATOM 0 HB2 HIS A 46 -6.843 2.348 5.722 1.00 13.15 H new ATOM 0 HB3 HIS A 46 -8.471 2.893 6.073 1.00 13.15 H new ATOM 0 HD1 HIS A 46 -10.316 1.466 5.356 1.00 61.22 H new ATOM 0 HD2 HIS A 46 -6.790 0.579 3.285 1.00 64.15 H new ATOM 0 HE1 HIS A 46 -10.818 -0.577 3.956 1.00 64.25 H new ATOM 732 N THR A 47 -5.465 4.859 4.584 1.00 74.43 N ATOM 733 CA THR A 47 -4.096 5.158 4.362 1.00 1.21 C ATOM 734 C THR A 47 -3.268 4.125 5.141 1.00 73.23 C ATOM 735 O THR A 47 -3.259 4.137 6.371 1.00 2.12 O ATOM 736 CB THR A 47 -3.845 6.561 4.942 1.00 63.31 C ATOM 737 OG1 THR A 47 -4.895 7.440 4.495 1.00 11.02 O ATOM 738 CG2 THR A 47 -2.520 7.114 4.493 1.00 73.45 C ATOM 0 H THR A 47 -5.869 5.405 5.345 1.00 74.43 H new ATOM 0 HA THR A 47 -3.829 5.129 3.306 1.00 1.21 H new ATOM 0 HB THR A 47 -3.833 6.488 6.029 1.00 63.31 H new ATOM 0 HG1 THR A 47 -4.718 7.719 3.572 1.00 11.02 H new ATOM 0 HG21 THR A 47 -2.376 8.106 4.921 1.00 73.45 H new ATOM 0 HG22 THR A 47 -1.719 6.455 4.827 1.00 73.45 H new ATOM 0 HG23 THR A 47 -2.504 7.183 3.405 1.00 73.45 H new ATOM 746 N VAL A 48 -2.636 3.204 4.448 1.00 55.04 N ATOM 747 CA VAL A 48 -1.916 2.148 5.119 1.00 1.52 C ATOM 748 C VAL A 48 -0.407 2.206 4.824 1.00 15.24 C ATOM 749 O VAL A 48 0.007 2.077 3.684 1.00 44.00 O ATOM 750 CB VAL A 48 -2.471 0.752 4.729 1.00 41.20 C ATOM 751 CG1 VAL A 48 -1.755 -0.327 5.493 1.00 33.52 C ATOM 752 CG2 VAL A 48 -3.972 0.671 4.973 1.00 12.24 C ATOM 0 H VAL A 48 -2.606 3.165 3.429 1.00 55.04 H new ATOM 0 HA VAL A 48 -2.062 2.301 6.188 1.00 1.52 H new ATOM 0 HB VAL A 48 -2.295 0.603 3.664 1.00 41.20 H new ATOM 0 HG11 VAL A 48 -2.155 -1.300 5.209 1.00 33.52 H new ATOM 0 HG12 VAL A 48 -0.690 -0.291 5.262 1.00 33.52 H new ATOM 0 HG13 VAL A 48 -1.900 -0.173 6.562 1.00 33.52 H new ATOM 0 HG21 VAL A 48 -4.334 -0.318 4.691 1.00 12.24 H new ATOM 0 HG22 VAL A 48 -4.179 0.846 6.029 1.00 12.24 H new ATOM 0 HG23 VAL A 48 -4.479 1.427 4.374 1.00 12.24 H new ATOM 762 N PRO A 49 0.419 2.423 5.851 1.00 24.52 N ATOM 763 CA PRO A 49 1.887 2.446 5.710 1.00 41.44 C ATOM 764 C PRO A 49 2.454 1.083 5.247 1.00 14.12 C ATOM 765 O PRO A 49 2.052 0.028 5.752 1.00 11.20 O ATOM 766 CB PRO A 49 2.373 2.757 7.138 1.00 5.54 C ATOM 767 CG PRO A 49 1.198 3.350 7.827 1.00 51.24 C ATOM 768 CD PRO A 49 0.000 2.685 7.237 1.00 23.40 C ATOM 0 HA PRO A 49 2.212 3.167 4.959 1.00 41.44 H new ATOM 0 HB2 PRO A 49 2.712 1.853 7.644 1.00 5.54 H new ATOM 0 HB3 PRO A 49 3.214 3.450 7.126 1.00 5.54 H new ATOM 0 HG2 PRO A 49 1.249 3.180 8.902 1.00 51.24 H new ATOM 0 HG3 PRO A 49 1.160 4.429 7.676 1.00 51.24 H new ATOM 0 HD2 PRO A 49 -0.252 1.765 7.764 1.00 23.40 H new ATOM 0 HD3 PRO A 49 -0.880 3.327 7.279 1.00 23.40 H new ATOM 776 N ARG A 50 3.380 1.118 4.296 1.00 63.23 N ATOM 777 CA ARG A 50 4.023 -0.073 3.760 1.00 51.53 C ATOM 778 C ARG A 50 5.557 0.176 3.626 1.00 24.40 C ATOM 779 O ARG A 50 5.986 1.170 3.004 1.00 35.01 O ATOM 780 CB ARG A 50 3.424 -0.374 2.368 1.00 2.12 C ATOM 781 CG ARG A 50 3.800 -1.729 1.764 1.00 73.22 C ATOM 782 CD ARG A 50 3.237 -2.863 2.605 1.00 23.15 C ATOM 783 NE ARG A 50 1.792 -2.747 2.754 1.00 13.32 N ATOM 784 CZ ARG A 50 1.149 -2.806 3.920 1.00 41.20 C ATOM 785 NH1 ARG A 50 1.836 -2.953 5.064 1.00 53.11 N ATOM 786 NH2 ARG A 50 -0.172 -2.688 3.942 1.00 1.21 N ATOM 0 H ARG A 50 3.708 1.985 3.871 1.00 63.23 H new ATOM 0 HA ARG A 50 3.857 -0.918 4.428 1.00 51.53 H new ATOM 0 HB2 ARG A 50 2.338 -0.318 2.440 1.00 2.12 H new ATOM 0 HB3 ARG A 50 3.739 0.410 1.680 1.00 2.12 H new ATOM 0 HG2 ARG A 50 3.417 -1.799 0.746 1.00 73.22 H new ATOM 0 HG3 ARG A 50 4.885 -1.818 1.703 1.00 73.22 H new ATOM 0 HD2 ARG A 50 3.481 -3.818 2.141 1.00 23.15 H new ATOM 0 HD3 ARG A 50 3.707 -2.857 3.588 1.00 23.15 H new ATOM 0 HE ARG A 50 1.236 -2.612 1.910 1.00 13.32 H new ATOM 0 HH11 ARG A 50 2.854 -3.020 5.043 1.00 53.11 H new ATOM 0 HH12 ARG A 50 1.340 -2.998 5.954 1.00 53.11 H new ATOM 0 HH21 ARG A 50 -0.687 -2.553 3.072 1.00 1.21 H new ATOM 0 HH22 ARG A 50 -0.673 -2.732 4.829 1.00 1.21 H new ATOM 800 N ARG A 51 6.368 -0.699 4.224 1.00 23.10 N ATOM 801 CA ARG A 51 7.824 -0.622 4.128 1.00 44.32 C ATOM 802 C ARG A 51 8.154 -1.155 2.699 1.00 4.44 C ATOM 803 O ARG A 51 7.381 -1.953 2.163 1.00 1.05 O ATOM 804 CB ARG A 51 8.404 -1.578 5.213 1.00 64.24 C ATOM 805 CG ARG A 51 9.783 -1.262 5.869 1.00 32.05 C ATOM 806 CD ARG A 51 10.928 -1.040 4.896 1.00 13.20 C ATOM 807 NE ARG A 51 10.962 0.317 4.371 1.00 22.23 N ATOM 808 CZ ARG A 51 11.829 0.736 3.468 1.00 61.12 C ATOM 809 NH1 ARG A 51 12.662 -0.109 2.909 1.00 55.44 N ATOM 810 NH2 ARG A 51 11.872 2.010 3.133 1.00 5.12 N ATOM 0 H ARG A 51 6.032 -1.480 4.788 1.00 23.10 H new ATOM 0 HA ARG A 51 8.233 0.377 4.280 1.00 44.32 H new ATOM 0 HB2 ARG A 51 7.669 -1.642 6.016 1.00 64.24 H new ATOM 0 HB3 ARG A 51 8.476 -2.570 4.767 1.00 64.24 H new ATOM 0 HG2 ARG A 51 9.677 -0.372 6.489 1.00 32.05 H new ATOM 0 HG3 ARG A 51 10.047 -2.084 6.534 1.00 32.05 H new ATOM 0 HD2 ARG A 51 11.872 -1.256 5.396 1.00 13.20 H new ATOM 0 HD3 ARG A 51 10.838 -1.744 4.068 1.00 13.20 H new ATOM 0 HE ARG A 51 10.275 0.984 4.722 1.00 22.23 H new ATOM 0 HH11 ARG A 51 12.642 -1.094 3.172 1.00 55.44 H new ATOM 0 HH12 ARG A 51 13.330 0.219 2.212 1.00 55.44 H new ATOM 0 HH21 ARG A 51 11.235 2.674 3.572 1.00 5.12 H new ATOM 0 HH22 ARG A 51 12.543 2.331 2.435 1.00 5.12 H new ATOM 824 N TYR A 52 9.258 -0.733 2.083 1.00 42.51 N ATOM 825 CA TYR A 52 9.539 -1.169 0.696 1.00 75.33 C ATOM 826 C TYR A 52 9.771 -2.671 0.650 1.00 13.44 C ATOM 827 O TYR A 52 9.189 -3.371 -0.164 1.00 60.43 O ATOM 828 CB TYR A 52 10.755 -0.450 0.091 1.00 41.30 C ATOM 829 CG TYR A 52 10.911 -0.689 -1.401 1.00 52.03 C ATOM 830 CD1 TYR A 52 11.419 -1.890 -1.898 1.00 14.41 C ATOM 831 CD2 TYR A 52 10.514 0.276 -2.314 1.00 41.30 C ATOM 832 CE1 TYR A 52 11.517 -2.119 -3.249 1.00 71.31 C ATOM 833 CE2 TYR A 52 10.619 0.055 -3.668 1.00 54.11 C ATOM 834 CZ TYR A 52 11.116 -1.149 -4.129 1.00 12.44 C ATOM 835 OH TYR A 52 11.200 -1.381 -5.478 1.00 52.20 O ATOM 0 H TYR A 52 9.955 -0.113 2.495 1.00 42.51 H new ATOM 0 HA TYR A 52 8.664 -0.907 0.101 1.00 75.33 H new ATOM 0 HB2 TYR A 52 10.663 0.621 0.273 1.00 41.30 H new ATOM 0 HB3 TYR A 52 11.658 -0.784 0.602 1.00 41.30 H new ATOM 0 HD1 TYR A 52 11.742 -2.655 -1.207 1.00 14.41 H new ATOM 0 HD2 TYR A 52 10.117 1.215 -1.957 1.00 41.30 H new ATOM 0 HE1 TYR A 52 11.907 -3.057 -3.615 1.00 71.31 H new ATOM 0 HE2 TYR A 52 10.314 0.819 -4.367 1.00 54.11 H new ATOM 0 HH TYR A 52 11.993 -1.925 -5.668 1.00 52.20 H new ATOM 845 N SER A 53 10.613 -3.148 1.536 1.00 55.21 N ATOM 846 CA SER A 53 10.939 -4.547 1.625 1.00 34.24 C ATOM 847 C SER A 53 9.701 -5.377 1.957 1.00 51.00 C ATOM 848 O SER A 53 9.544 -6.498 1.476 1.00 21.51 O ATOM 849 CB SER A 53 12.046 -4.706 2.651 1.00 62.04 C ATOM 850 OG SER A 53 11.772 -3.888 3.784 1.00 34.22 O ATOM 0 H SER A 53 11.095 -2.567 2.222 1.00 55.21 H new ATOM 0 HA SER A 53 11.294 -4.921 0.665 1.00 34.24 H new ATOM 0 HB2 SER A 53 12.126 -5.750 2.955 1.00 62.04 H new ATOM 0 HB3 SER A 53 13.004 -4.427 2.212 1.00 62.04 H new ATOM 0 HG SER A 53 12.488 -3.994 4.445 1.00 34.22 H new ATOM 856 N GLU A 54 8.818 -4.785 2.738 1.00 32.45 N ATOM 857 CA GLU A 54 7.557 -5.382 3.100 1.00 54.41 C ATOM 858 C GLU A 54 6.695 -5.577 1.842 1.00 73.20 C ATOM 859 O GLU A 54 6.183 -6.667 1.601 1.00 10.42 O ATOM 860 CB GLU A 54 6.875 -4.489 4.125 1.00 72.14 C ATOM 861 CG GLU A 54 5.520 -4.933 4.592 1.00 15.14 C ATOM 862 CD GLU A 54 4.979 -4.004 5.643 1.00 34.03 C ATOM 863 OE1 GLU A 54 4.548 -2.883 5.296 1.00 24.45 O ATOM 864 OE2 GLU A 54 4.961 -4.372 6.810 1.00 1.42 O ATOM 0 H GLU A 54 8.964 -3.860 3.143 1.00 32.45 H new ATOM 0 HA GLU A 54 7.708 -6.366 3.545 1.00 54.41 H new ATOM 0 HB2 GLU A 54 7.527 -4.406 4.995 1.00 72.14 H new ATOM 0 HB3 GLU A 54 6.781 -3.490 3.700 1.00 72.14 H new ATOM 0 HG2 GLU A 54 4.834 -4.969 3.746 1.00 15.14 H new ATOM 0 HG3 GLU A 54 5.584 -5.944 4.994 1.00 15.14 H new ATOM 871 N PHE A 55 6.562 -4.521 1.025 1.00 71.30 N ATOM 872 CA PHE A 55 5.841 -4.636 -0.232 1.00 23.24 C ATOM 873 C PHE A 55 6.538 -5.603 -1.185 1.00 35.22 C ATOM 874 O PHE A 55 5.885 -6.343 -1.936 1.00 64.12 O ATOM 875 CB PHE A 55 5.666 -3.276 -0.938 1.00 72.30 C ATOM 876 CG PHE A 55 5.014 -3.439 -2.286 1.00 44.42 C ATOM 877 CD1 PHE A 55 3.674 -3.719 -2.374 1.00 2.21 C ATOM 878 CD2 PHE A 55 5.762 -3.378 -3.457 1.00 70.21 C ATOM 879 CE1 PHE A 55 3.075 -3.930 -3.594 1.00 13.24 C ATOM 880 CE2 PHE A 55 5.168 -3.594 -4.685 1.00 14.24 C ATOM 881 CZ PHE A 55 3.821 -3.871 -4.755 1.00 33.23 C ATOM 0 H PHE A 55 6.942 -3.594 1.217 1.00 71.30 H new ATOM 0 HA PHE A 55 4.854 -5.021 0.024 1.00 23.24 H new ATOM 0 HB2 PHE A 55 5.061 -2.616 -0.316 1.00 72.30 H new ATOM 0 HB3 PHE A 55 6.638 -2.798 -1.057 1.00 72.30 H new ATOM 0 HD1 PHE A 55 3.081 -3.775 -1.473 1.00 2.21 H new ATOM 0 HD2 PHE A 55 6.818 -3.159 -3.405 1.00 70.21 H new ATOM 0 HE1 PHE A 55 2.017 -4.143 -3.644 1.00 13.24 H new ATOM 0 HE2 PHE A 55 5.758 -3.546 -5.588 1.00 14.24 H new ATOM 0 HZ PHE A 55 3.351 -4.041 -5.712 1.00 33.23 H new ATOM 891 N HIS A 56 7.847 -5.601 -1.161 1.00 25.31 N ATOM 892 CA HIS A 56 8.595 -6.412 -2.080 1.00 53.40 C ATOM 893 C HIS A 56 8.351 -7.892 -1.777 1.00 62.44 C ATOM 894 O HIS A 56 8.093 -8.666 -2.681 1.00 73.02 O ATOM 895 CB HIS A 56 10.084 -6.060 -2.045 1.00 74.15 C ATOM 896 CG HIS A 56 10.786 -6.371 -3.332 1.00 71.42 C ATOM 897 ND1 HIS A 56 11.729 -7.357 -3.487 1.00 64.14 N ATOM 898 CD2 HIS A 56 10.683 -5.763 -4.538 1.00 50.43 C ATOM 899 CE1 HIS A 56 12.173 -7.340 -4.730 1.00 41.24 C ATOM 900 NE2 HIS A 56 11.548 -6.379 -5.382 1.00 74.34 N ATOM 0 H HIS A 56 8.412 -5.048 -0.517 1.00 25.31 H new ATOM 0 HA HIS A 56 8.250 -6.209 -3.094 1.00 53.40 H new ATOM 0 HB2 HIS A 56 10.196 -4.999 -1.823 1.00 74.15 H new ATOM 0 HB3 HIS A 56 10.563 -6.608 -1.234 1.00 74.15 H new ATOM 0 HD2 HIS A 56 10.031 -4.938 -4.783 1.00 50.43 H new ATOM 0 HE1 HIS A 56 12.921 -8.001 -5.143 1.00 41.24 H new ATOM 0 HE2 HIS A 56 11.692 -6.138 -6.363 1.00 74.34 H new ATOM 909 N ALA A 57 8.394 -8.252 -0.488 1.00 63.00 N ATOM 910 CA ALA A 57 8.093 -9.609 -0.025 1.00 42.03 C ATOM 911 C ALA A 57 6.623 -9.969 -0.299 1.00 31.25 C ATOM 912 O ALA A 57 6.294 -11.131 -0.554 1.00 3.11 O ATOM 913 CB ALA A 57 8.399 -9.740 1.461 1.00 73.45 C ATOM 0 H ALA A 57 8.639 -7.607 0.264 1.00 63.00 H new ATOM 0 HA ALA A 57 8.724 -10.305 -0.578 1.00 42.03 H new ATOM 0 HB1 ALA A 57 8.171 -10.753 1.792 1.00 73.45 H new ATOM 0 HB2 ALA A 57 9.454 -9.531 1.635 1.00 73.45 H new ATOM 0 HB3 ALA A 57 7.791 -9.030 2.022 1.00 73.45 H new ATOM 919 N LEU A 58 5.758 -8.964 -0.231 1.00 44.12 N ATOM 920 CA LEU A 58 4.332 -9.103 -0.547 1.00 35.24 C ATOM 921 C LEU A 58 4.143 -9.542 -1.997 1.00 53.04 C ATOM 922 O LEU A 58 3.463 -10.527 -2.275 1.00 51.41 O ATOM 923 CB LEU A 58 3.638 -7.744 -0.289 1.00 70.43 C ATOM 924 CG LEU A 58 2.213 -7.521 -0.824 1.00 62.42 C ATOM 925 CD1 LEU A 58 1.225 -8.522 -0.267 1.00 54.11 C ATOM 926 CD2 LEU A 58 1.768 -6.117 -0.491 1.00 43.42 C ATOM 0 H LEU A 58 6.024 -8.019 0.047 1.00 44.12 H new ATOM 0 HA LEU A 58 3.885 -9.869 0.087 1.00 35.24 H new ATOM 0 HB2 LEU A 58 3.613 -7.587 0.789 1.00 70.43 H new ATOM 0 HB3 LEU A 58 4.273 -6.965 -0.710 1.00 70.43 H new ATOM 0 HG LEU A 58 2.238 -7.663 -1.904 1.00 62.42 H new ATOM 0 HD11 LEU A 58 0.234 -8.321 -0.675 1.00 54.11 H new ATOM 0 HD12 LEU A 58 1.534 -9.530 -0.543 1.00 54.11 H new ATOM 0 HD13 LEU A 58 1.194 -8.437 0.819 1.00 54.11 H new ATOM 0 HD21 LEU A 58 0.758 -5.956 -0.869 1.00 43.42 H new ATOM 0 HD22 LEU A 58 1.777 -5.979 0.590 1.00 43.42 H new ATOM 0 HD23 LEU A 58 2.447 -5.401 -0.954 1.00 43.42 H new ATOM 938 N HIS A 59 4.794 -8.847 -2.907 1.00 1.40 N ATOM 939 CA HIS A 59 4.681 -9.154 -4.331 1.00 34.00 C ATOM 940 C HIS A 59 5.414 -10.470 -4.631 1.00 53.50 C ATOM 941 O HIS A 59 4.972 -11.273 -5.458 1.00 41.30 O ATOM 942 CB HIS A 59 5.269 -7.999 -5.163 1.00 14.41 C ATOM 943 CG HIS A 59 5.137 -8.158 -6.651 1.00 75.25 C ATOM 944 ND1 HIS A 59 4.185 -7.495 -7.392 1.00 42.11 N ATOM 945 CD2 HIS A 59 5.864 -8.881 -7.542 1.00 43.54 C ATOM 946 CE1 HIS A 59 4.333 -7.800 -8.659 1.00 62.20 C ATOM 947 NE2 HIS A 59 5.340 -8.636 -8.773 1.00 72.44 N ATOM 0 H HIS A 59 5.410 -8.063 -2.692 1.00 1.40 H new ATOM 0 HA HIS A 59 3.631 -9.270 -4.599 1.00 34.00 H new ATOM 0 HB2 HIS A 59 4.779 -7.072 -4.867 1.00 14.41 H new ATOM 0 HB3 HIS A 59 6.325 -7.894 -4.916 1.00 14.41 H new ATOM 0 HD2 HIS A 59 6.699 -9.527 -7.316 1.00 43.54 H new ATOM 0 HE1 HIS A 59 3.728 -7.427 -9.472 1.00 62.20 H new ATOM 0 HE2 HIS A 59 5.676 -9.038 -9.648 1.00 72.44 H new ATOM 956 N LYS A 60 6.528 -10.651 -3.942 1.00 23.53 N ATOM 957 CA LYS A 60 7.360 -11.857 -3.981 1.00 62.24 C ATOM 958 C LYS A 60 6.503 -13.079 -3.670 1.00 55.22 C ATOM 959 O LYS A 60 6.682 -14.142 -4.244 1.00 32.44 O ATOM 960 CB LYS A 60 8.447 -11.670 -2.903 1.00 32.55 C ATOM 961 CG LYS A 60 9.441 -12.802 -2.579 1.00 73.44 C ATOM 962 CD LYS A 60 10.368 -13.197 -3.737 1.00 23.01 C ATOM 963 CE LYS A 60 9.703 -14.110 -4.761 1.00 1.32 C ATOM 964 NZ LYS A 60 9.305 -15.404 -4.170 1.00 72.22 N ATOM 0 H LYS A 60 6.898 -9.938 -3.313 1.00 23.53 H new ATOM 0 HA LYS A 60 7.809 -12.008 -4.963 1.00 62.24 H new ATOM 0 HB2 LYS A 60 9.036 -10.799 -3.190 1.00 32.55 H new ATOM 0 HB3 LYS A 60 7.936 -11.417 -1.974 1.00 32.55 H new ATOM 0 HG2 LYS A 60 10.053 -12.497 -1.730 1.00 73.44 H new ATOM 0 HG3 LYS A 60 8.878 -13.682 -2.266 1.00 73.44 H new ATOM 0 HD2 LYS A 60 10.716 -12.294 -4.238 1.00 23.01 H new ATOM 0 HD3 LYS A 60 11.249 -13.697 -3.333 1.00 23.01 H new ATOM 0 HE2 LYS A 60 8.824 -13.614 -5.173 1.00 1.32 H new ATOM 0 HE3 LYS A 60 10.388 -14.285 -5.590 1.00 1.32 H new ATOM 0 HZ1 LYS A 60 9.533 -16.173 -4.832 1.00 72.22 H new ATOM 0 HZ2 LYS A 60 9.819 -15.551 -3.278 1.00 72.22 H new ATOM 0 HZ3 LYS A 60 8.282 -15.400 -3.983 1.00 72.22 H new ATOM 978 N ARG A 61 5.578 -12.895 -2.782 1.00 33.11 N ATOM 979 CA ARG A 61 4.697 -13.937 -2.367 1.00 51.34 C ATOM 980 C ARG A 61 3.549 -14.113 -3.355 1.00 21.50 C ATOM 981 O ARG A 61 3.399 -15.168 -3.964 1.00 42.30 O ATOM 982 CB ARG A 61 4.136 -13.575 -1.010 1.00 14.22 C ATOM 983 CG ARG A 61 3.209 -14.597 -0.399 1.00 35.30 C ATOM 984 CD ARG A 61 2.673 -14.074 0.905 1.00 25.05 C ATOM 985 NE ARG A 61 3.749 -13.745 1.846 1.00 31.43 N ATOM 986 CZ ARG A 61 3.801 -12.628 2.592 1.00 74.14 C ATOM 987 NH1 ARG A 61 2.857 -11.686 2.479 1.00 55.43 N ATOM 988 NH2 ARG A 61 4.805 -12.454 3.443 1.00 33.10 N ATOM 0 H ARG A 61 5.412 -12.002 -2.318 1.00 33.11 H new ATOM 0 HA ARG A 61 5.252 -14.874 -2.321 1.00 51.34 H new ATOM 0 HB2 ARG A 61 4.967 -13.408 -0.325 1.00 14.22 H new ATOM 0 HB3 ARG A 61 3.600 -12.630 -1.098 1.00 14.22 H new ATOM 0 HG2 ARG A 61 2.387 -14.812 -1.082 1.00 35.30 H new ATOM 0 HG3 ARG A 61 3.741 -15.534 -0.236 1.00 35.30 H new ATOM 0 HD2 ARG A 61 2.069 -13.186 0.719 1.00 25.05 H new ATOM 0 HD3 ARG A 61 2.015 -14.819 1.352 1.00 25.05 H new ATOM 0 HE ARG A 61 4.514 -14.413 1.941 1.00 31.43 H new ATOM 0 HH11 ARG A 61 2.087 -11.812 1.821 1.00 55.43 H new ATOM 0 HH12 ARG A 61 2.907 -10.843 3.050 1.00 55.43 H new ATOM 0 HH21 ARG A 61 5.531 -13.166 3.528 1.00 33.10 H new ATOM 0 HH22 ARG A 61 4.851 -11.609 4.012 1.00 33.10 H new ATOM 1002 N ILE A 62 2.769 -13.059 -3.544 1.00 53.55 N ATOM 1003 CA ILE A 62 1.539 -13.161 -4.316 1.00 74.23 C ATOM 1004 C ILE A 62 1.681 -13.402 -5.796 1.00 20.14 C ATOM 1005 O ILE A 62 0.678 -13.650 -6.448 1.00 13.11 O ATOM 1006 CB ILE A 62 0.521 -12.054 -4.054 1.00 75.35 C ATOM 1007 CG1 ILE A 62 1.117 -10.653 -4.277 1.00 31.45 C ATOM 1008 CG2 ILE A 62 -0.102 -12.228 -2.678 1.00 53.14 C ATOM 1009 CD1 ILE A 62 0.111 -9.538 -4.132 1.00 40.25 C ATOM 0 H ILE A 62 2.964 -12.128 -3.176 1.00 53.55 H new ATOM 0 HA ILE A 62 1.141 -14.089 -3.906 1.00 74.23 H new ATOM 0 HB ILE A 62 -0.281 -12.142 -4.787 1.00 75.35 H new ATOM 0 HG12 ILE A 62 1.927 -10.495 -3.565 1.00 31.45 H new ATOM 0 HG13 ILE A 62 1.555 -10.608 -5.274 1.00 31.45 H new ATOM 0 HG21 ILE A 62 -0.826 -11.432 -2.503 1.00 53.14 H new ATOM 0 HG22 ILE A 62 -0.604 -13.194 -2.626 1.00 53.14 H new ATOM 0 HG23 ILE A 62 0.677 -12.183 -1.917 1.00 53.14 H new ATOM 0 HD11 ILE A 62 0.602 -8.580 -4.303 1.00 40.25 H new ATOM 0 HD12 ILE A 62 -0.688 -9.671 -4.862 1.00 40.25 H new ATOM 0 HD13 ILE A 62 -0.310 -9.556 -3.127 1.00 40.25 H new ATOM 1021 N LYS A 63 2.891 -13.364 -6.344 1.00 24.54 N ATOM 1022 CA LYS A 63 3.029 -13.717 -7.756 1.00 31.10 C ATOM 1023 C LYS A 63 2.744 -15.213 -7.915 1.00 4.05 C ATOM 1024 O LYS A 63 2.307 -15.680 -8.968 1.00 64.32 O ATOM 1025 CB LYS A 63 4.416 -13.381 -8.339 1.00 3.42 C ATOM 1026 CG LYS A 63 5.570 -14.183 -7.760 1.00 35.42 C ATOM 1027 CD LYS A 63 6.828 -13.970 -8.577 1.00 25.41 C ATOM 1028 CE LYS A 63 7.958 -14.849 -8.087 1.00 32.23 C ATOM 1029 NZ LYS A 63 9.142 -14.768 -8.970 1.00 71.34 N ATOM 0 H LYS A 63 3.753 -13.106 -5.863 1.00 24.54 H new ATOM 0 HA LYS A 63 2.312 -13.117 -8.316 1.00 31.10 H new ATOM 0 HB2 LYS A 63 4.388 -13.540 -9.417 1.00 3.42 H new ATOM 0 HB3 LYS A 63 4.614 -12.321 -8.178 1.00 3.42 H new ATOM 0 HG2 LYS A 63 5.746 -13.884 -6.727 1.00 35.42 H new ATOM 0 HG3 LYS A 63 5.313 -15.242 -7.746 1.00 35.42 H new ATOM 0 HD2 LYS A 63 6.624 -14.187 -9.626 1.00 25.41 H new ATOM 0 HD3 LYS A 63 7.128 -12.924 -8.521 1.00 25.41 H new ATOM 0 HE2 LYS A 63 8.238 -14.551 -7.076 1.00 32.23 H new ATOM 0 HE3 LYS A 63 7.616 -15.883 -8.032 1.00 32.23 H new ATOM 0 HZ1 LYS A 63 9.894 -15.384 -8.600 1.00 71.34 H new ATOM 0 HZ2 LYS A 63 8.882 -15.076 -9.929 1.00 71.34 H new ATOM 0 HZ3 LYS A 63 9.484 -13.786 -9.003 1.00 71.34 H new ATOM 1043 N LYS A 64 2.979 -15.942 -6.834 1.00 43.41 N ATOM 1044 CA LYS A 64 2.740 -17.366 -6.763 1.00 2.21 C ATOM 1045 C LYS A 64 1.250 -17.637 -6.491 1.00 34.41 C ATOM 1046 O LYS A 64 0.740 -18.735 -6.737 1.00 43.31 O ATOM 1047 CB LYS A 64 3.601 -17.951 -5.627 1.00 71.22 C ATOM 1048 CG LYS A 64 3.444 -19.442 -5.388 1.00 63.34 C ATOM 1049 CD LYS A 64 3.903 -20.257 -6.580 1.00 55.33 C ATOM 1050 CE LYS A 64 3.723 -21.737 -6.327 1.00 44.40 C ATOM 1051 NZ LYS A 64 4.436 -22.177 -5.101 1.00 35.05 N ATOM 0 H LYS A 64 3.348 -15.548 -5.969 1.00 43.41 H new ATOM 0 HA LYS A 64 3.007 -17.836 -7.710 1.00 2.21 H new ATOM 0 HB2 LYS A 64 4.649 -17.744 -5.846 1.00 71.22 H new ATOM 0 HB3 LYS A 64 3.358 -17.425 -4.703 1.00 71.22 H new ATOM 0 HG2 LYS A 64 4.018 -19.731 -4.508 1.00 63.34 H new ATOM 0 HG3 LYS A 64 2.399 -19.667 -5.175 1.00 63.34 H new ATOM 0 HD2 LYS A 64 3.337 -19.964 -7.465 1.00 55.33 H new ATOM 0 HD3 LYS A 64 4.952 -20.045 -6.788 1.00 55.33 H new ATOM 0 HE2 LYS A 64 2.661 -21.963 -6.231 1.00 44.40 H new ATOM 0 HE3 LYS A 64 4.092 -22.300 -7.184 1.00 44.40 H new ATOM 0 HZ1 LYS A 64 4.522 -23.213 -5.102 1.00 35.05 H new ATOM 0 HZ2 LYS A 64 5.384 -21.751 -5.079 1.00 35.05 H new ATOM 0 HZ3 LYS A 64 3.902 -21.875 -4.261 1.00 35.05 H new ATOM 1065 N LEU A 65 0.565 -16.636 -5.992 1.00 62.13 N ATOM 1066 CA LEU A 65 -0.833 -16.774 -5.632 1.00 4.31 C ATOM 1067 C LEU A 65 -1.792 -16.227 -6.685 1.00 1.24 C ATOM 1068 O LEU A 65 -2.650 -16.966 -7.185 1.00 60.10 O ATOM 1069 CB LEU A 65 -1.155 -16.162 -4.240 1.00 13.51 C ATOM 1070 CG LEU A 65 -0.633 -16.896 -2.975 1.00 51.42 C ATOM 1071 CD1 LEU A 65 -1.141 -18.328 -2.911 1.00 12.35 C ATOM 1072 CD2 LEU A 65 0.882 -16.849 -2.856 1.00 4.11 C ATOM 0 H LEU A 65 0.954 -15.708 -5.824 1.00 62.13 H new ATOM 0 HA LEU A 65 -0.996 -17.850 -5.578 1.00 4.31 H new ATOM 0 HB2 LEU A 65 -0.758 -15.147 -4.223 1.00 13.51 H new ATOM 0 HB3 LEU A 65 -2.239 -16.082 -4.155 1.00 13.51 H new ATOM 0 HG LEU A 65 -1.036 -16.355 -2.118 1.00 51.42 H new ATOM 0 HD11 LEU A 65 -0.756 -18.811 -2.013 1.00 12.35 H new ATOM 0 HD12 LEU A 65 -2.231 -18.327 -2.883 1.00 12.35 H new ATOM 0 HD13 LEU A 65 -0.801 -18.874 -3.791 1.00 12.35 H new ATOM 0 HD21 LEU A 65 1.193 -17.377 -1.954 1.00 4.11 H new ATOM 0 HD22 LEU A 65 1.330 -17.325 -3.728 1.00 4.11 H new ATOM 0 HD23 LEU A 65 1.211 -15.811 -2.800 1.00 4.11 H new ATOM 1084 N TYR A 66 -1.649 -14.956 -7.045 1.00 3.53 N ATOM 1085 CA TYR A 66 -2.625 -14.333 -7.917 1.00 33.22 C ATOM 1086 C TYR A 66 -2.014 -13.361 -8.941 1.00 20.32 C ATOM 1087 O TYR A 66 -0.785 -13.237 -9.024 1.00 33.03 O ATOM 1088 CB TYR A 66 -3.770 -13.725 -7.090 1.00 34.24 C ATOM 1089 CG TYR A 66 -3.438 -12.680 -6.083 1.00 52.51 C ATOM 1090 CD1 TYR A 66 -3.184 -11.382 -6.426 1.00 22.02 C ATOM 1091 CD2 TYR A 66 -3.447 -13.018 -4.740 1.00 64.30 C ATOM 1092 CE1 TYR A 66 -2.947 -10.443 -5.459 1.00 45.00 C ATOM 1093 CE2 TYR A 66 -3.206 -12.098 -3.778 1.00 1.44 C ATOM 1094 CZ TYR A 66 -2.961 -10.807 -4.133 1.00 73.43 C ATOM 1095 OH TYR A 66 -2.712 -9.870 -3.155 1.00 42.33 O ATOM 0 H TYR A 66 -0.882 -14.351 -6.751 1.00 3.53 H new ATOM 0 HA TYR A 66 -3.053 -15.118 -8.540 1.00 33.22 H new ATOM 0 HB2 TYR A 66 -4.492 -13.298 -7.786 1.00 34.24 H new ATOM 0 HB3 TYR A 66 -4.273 -14.540 -6.569 1.00 34.24 H new ATOM 0 HD1 TYR A 66 -3.170 -11.095 -7.467 1.00 22.02 H new ATOM 0 HD2 TYR A 66 -3.651 -14.039 -4.454 1.00 64.30 H new ATOM 0 HE1 TYR A 66 -2.749 -9.418 -5.737 1.00 45.00 H new ATOM 0 HE2 TYR A 66 -3.208 -12.385 -2.737 1.00 1.44 H new ATOM 0 HH TYR A 66 -2.762 -10.296 -2.274 1.00 42.33 H new ATOM 1105 N LYS A 67 -2.875 -12.700 -9.743 1.00 1.00 N ATOM 1106 CA LYS A 67 -2.406 -11.822 -10.819 1.00 42.35 C ATOM 1107 C LYS A 67 -1.766 -10.570 -10.339 1.00 1.13 C ATOM 1108 O LYS A 67 -2.401 -9.734 -9.703 1.00 51.24 O ATOM 1109 CB LYS A 67 -3.483 -11.442 -11.807 1.00 2.55 C ATOM 1110 CG LYS A 67 -4.030 -12.556 -12.632 1.00 63.20 C ATOM 1111 CD LYS A 67 -4.948 -11.980 -13.664 1.00 65.33 C ATOM 1112 CE LYS A 67 -5.562 -13.038 -14.533 1.00 42.21 C ATOM 1113 NZ LYS A 67 -6.454 -12.453 -15.551 1.00 73.24 N ATOM 0 H LYS A 67 -3.890 -12.761 -9.662 1.00 1.00 H new ATOM 0 HA LYS A 67 -1.658 -12.437 -11.319 1.00 42.35 H new ATOM 0 HB2 LYS A 67 -4.306 -10.983 -11.259 1.00 2.55 H new ATOM 0 HB3 LYS A 67 -3.083 -10.682 -12.477 1.00 2.55 H new ATOM 0 HG2 LYS A 67 -3.219 -13.105 -13.111 1.00 63.20 H new ATOM 0 HG3 LYS A 67 -4.567 -13.265 -12.002 1.00 63.20 H new ATOM 0 HD2 LYS A 67 -5.738 -11.415 -13.170 1.00 65.33 H new ATOM 0 HD3 LYS A 67 -4.395 -11.277 -14.287 1.00 65.33 H new ATOM 0 HE2 LYS A 67 -4.774 -13.609 -15.024 1.00 42.21 H new ATOM 0 HE3 LYS A 67 -6.124 -13.737 -13.914 1.00 42.21 H new ATOM 0 HZ1 LYS A 67 -7.162 -13.158 -15.839 1.00 73.24 H new ATOM 0 HZ2 LYS A 67 -6.936 -11.621 -15.154 1.00 73.24 H new ATOM 0 HZ3 LYS A 67 -5.894 -12.166 -16.379 1.00 73.24 H new ATOM 1127 N VAL A 68 -0.528 -10.432 -10.711 1.00 64.54 N ATOM 1128 CA VAL A 68 0.304 -9.289 -10.421 1.00 11.13 C ATOM 1129 C VAL A 68 1.434 -9.239 -11.480 1.00 15.23 C ATOM 1130 O VAL A 68 1.951 -10.296 -11.876 1.00 73.12 O ATOM 1131 CB VAL A 68 0.921 -9.288 -8.948 1.00 15.03 C ATOM 1132 CG1 VAL A 68 -0.133 -9.167 -7.870 1.00 41.33 C ATOM 1133 CG2 VAL A 68 1.687 -10.520 -8.678 1.00 22.33 C ATOM 0 H VAL A 68 -0.041 -11.146 -11.252 1.00 64.54 H new ATOM 0 HA VAL A 68 -0.327 -8.401 -10.465 1.00 11.13 H new ATOM 0 HB VAL A 68 1.573 -8.415 -8.917 1.00 15.03 H new ATOM 0 HG11 VAL A 68 0.346 -9.172 -6.891 1.00 41.33 H new ATOM 0 HG12 VAL A 68 -0.682 -8.234 -8.001 1.00 41.33 H new ATOM 0 HG13 VAL A 68 -0.824 -10.007 -7.940 1.00 41.33 H new ATOM 0 HG21 VAL A 68 2.091 -10.483 -7.666 1.00 22.33 H new ATOM 0 HG22 VAL A 68 1.031 -11.385 -8.775 1.00 22.33 H new ATOM 0 HG23 VAL A 68 2.505 -10.604 -9.393 1.00 22.33 H new ATOM 1143 N PRO A 69 1.767 -8.035 -12.022 1.00 35.12 N ATOM 1144 CA PRO A 69 2.873 -7.856 -12.996 1.00 70.34 C ATOM 1145 C PRO A 69 4.257 -8.178 -12.403 1.00 72.24 C ATOM 1146 O PRO A 69 4.375 -8.922 -11.429 1.00 52.11 O ATOM 1147 CB PRO A 69 2.803 -6.359 -13.350 1.00 24.45 C ATOM 1148 CG PRO A 69 1.439 -5.934 -12.963 1.00 33.04 C ATOM 1149 CD PRO A 69 1.062 -6.776 -11.790 1.00 15.32 C ATOM 0 HA PRO A 69 2.759 -8.529 -13.846 1.00 70.34 H new ATOM 0 HB2 PRO A 69 3.561 -5.791 -12.811 1.00 24.45 H new ATOM 0 HB3 PRO A 69 2.980 -6.197 -14.413 1.00 24.45 H new ATOM 0 HG2 PRO A 69 1.419 -4.875 -12.705 1.00 33.04 H new ATOM 0 HG3 PRO A 69 0.738 -6.075 -13.786 1.00 33.04 H new ATOM 0 HD2 PRO A 69 1.368 -6.314 -10.851 1.00 15.32 H new ATOM 0 HD3 PRO A 69 -0.016 -6.926 -11.735 1.00 15.32 H new ATOM 1157 N ASP A 70 5.298 -7.624 -13.001 1.00 42.31 N ATOM 1158 CA ASP A 70 6.654 -7.857 -12.531 1.00 61.34 C ATOM 1159 C ASP A 70 6.954 -6.885 -11.353 1.00 2.21 C ATOM 1160 O ASP A 70 6.040 -6.209 -10.857 1.00 41.22 O ATOM 1161 CB ASP A 70 7.654 -7.698 -13.695 1.00 11.15 C ATOM 1162 CG ASP A 70 9.032 -8.250 -13.381 1.00 73.42 C ATOM 1163 OD1 ASP A 70 9.241 -9.465 -13.536 1.00 35.50 O ATOM 1164 OD2 ASP A 70 9.911 -7.486 -12.965 1.00 33.22 O ATOM 0 H ASP A 70 5.231 -7.010 -13.813 1.00 42.31 H new ATOM 0 HA ASP A 70 6.759 -8.877 -12.162 1.00 61.34 H new ATOM 0 HB2 ASP A 70 7.259 -8.204 -14.576 1.00 11.15 H new ATOM 0 HB3 ASP A 70 7.742 -6.641 -13.948 1.00 11.15 H new ATOM 1169 N PHE A 71 8.174 -6.823 -10.904 1.00 64.14 N ATOM 1170 CA PHE A 71 8.521 -6.037 -9.733 1.00 20.21 C ATOM 1171 C PHE A 71 9.749 -5.172 -9.985 1.00 41.43 C ATOM 1172 O PHE A 71 10.553 -5.483 -10.854 1.00 24.42 O ATOM 1173 CB PHE A 71 8.783 -6.984 -8.542 1.00 42.43 C ATOM 1174 CG PHE A 71 9.864 -8.013 -8.809 1.00 70.35 C ATOM 1175 CD1 PHE A 71 9.543 -9.228 -9.385 1.00 43.35 C ATOM 1176 CD2 PHE A 71 11.194 -7.757 -8.493 1.00 60.14 C ATOM 1177 CE1 PHE A 71 10.516 -10.165 -9.641 1.00 22.41 C ATOM 1178 CE2 PHE A 71 12.171 -8.694 -8.751 1.00 31.21 C ATOM 1179 CZ PHE A 71 11.830 -9.899 -9.327 1.00 52.42 C ATOM 0 H PHE A 71 8.962 -7.311 -11.331 1.00 64.14 H new ATOM 0 HA PHE A 71 7.687 -5.373 -9.506 1.00 20.21 H new ATOM 0 HB2 PHE A 71 9.065 -6.391 -7.672 1.00 42.43 H new ATOM 0 HB3 PHE A 71 7.857 -7.500 -8.289 1.00 42.43 H new ATOM 0 HD1 PHE A 71 8.515 -9.444 -9.637 1.00 43.35 H new ATOM 0 HD2 PHE A 71 11.464 -6.814 -8.041 1.00 60.14 H new ATOM 0 HE1 PHE A 71 10.249 -11.111 -10.089 1.00 22.41 H new ATOM 0 HE2 PHE A 71 13.201 -8.485 -8.503 1.00 31.21 H new ATOM 0 HZ PHE A 71 12.594 -10.635 -9.532 1.00 52.42 H new ATOM 1189 N PRO A 72 9.913 -4.068 -9.254 1.00 64.03 N ATOM 1190 CA PRO A 72 11.136 -3.286 -9.312 1.00 52.43 C ATOM 1191 C PRO A 72 12.234 -3.989 -8.502 1.00 74.30 C ATOM 1192 O PRO A 72 11.926 -4.842 -7.634 1.00 43.51 O ATOM 1193 CB PRO A 72 10.760 -1.945 -8.646 1.00 13.24 C ATOM 1194 CG PRO A 72 9.288 -2.018 -8.376 1.00 71.41 C ATOM 1195 CD PRO A 72 8.936 -3.475 -8.337 1.00 64.10 C ATOM 0 HA PRO A 72 11.512 -3.156 -10.327 1.00 52.43 H new ATOM 0 HB2 PRO A 72 11.320 -1.797 -7.722 1.00 13.24 H new ATOM 0 HB3 PRO A 72 10.996 -1.105 -9.299 1.00 13.24 H new ATOM 0 HG2 PRO A 72 9.042 -1.534 -7.431 1.00 71.41 H new ATOM 0 HG3 PRO A 72 8.725 -1.503 -9.154 1.00 71.41 H new ATOM 0 HD2 PRO A 72 9.024 -3.886 -7.331 1.00 64.10 H new ATOM 0 HD3 PRO A 72 7.912 -3.653 -8.666 1.00 64.10 H new ATOM 1203 N SER A 73 13.487 -3.674 -8.783 1.00 12.43 N ATOM 1204 CA SER A 73 14.595 -4.260 -8.058 1.00 71.52 C ATOM 1205 C SER A 73 14.508 -3.908 -6.568 1.00 61.23 C ATOM 1206 O SER A 73 13.992 -2.853 -6.215 1.00 25.20 O ATOM 1207 CB SER A 73 15.916 -3.791 -8.667 1.00 74.32 C ATOM 1208 OG SER A 73 15.997 -2.370 -8.705 1.00 51.13 O ATOM 0 H SER A 73 13.760 -3.013 -9.511 1.00 12.43 H new ATOM 0 HA SER A 73 14.546 -5.346 -8.142 1.00 71.52 H new ATOM 0 HB2 SER A 73 16.748 -4.189 -8.085 1.00 74.32 H new ATOM 0 HB3 SER A 73 16.014 -4.189 -9.677 1.00 74.32 H new ATOM 0 HG SER A 73 16.521 -2.052 -7.941 1.00 51.13 H new ATOM 1214 N LYS A 74 15.024 -4.783 -5.703 1.00 73.13 N ATOM 1215 CA LYS A 74 14.905 -4.569 -4.259 1.00 4.22 C ATOM 1216 C LYS A 74 15.735 -3.382 -3.785 1.00 34.01 C ATOM 1217 O LYS A 74 15.425 -2.773 -2.756 1.00 13.45 O ATOM 1218 CB LYS A 74 15.280 -5.832 -3.451 1.00 24.44 C ATOM 1219 CG LYS A 74 16.724 -6.291 -3.615 1.00 21.54 C ATOM 1220 CD LYS A 74 17.029 -7.481 -2.715 1.00 44.11 C ATOM 1221 CE LYS A 74 18.478 -7.938 -2.851 1.00 65.02 C ATOM 1222 NZ LYS A 74 18.792 -8.404 -4.219 1.00 14.53 N ATOM 0 H LYS A 74 15.520 -5.633 -5.970 1.00 73.13 H new ATOM 0 HA LYS A 74 13.854 -4.346 -4.075 1.00 4.22 H new ATOM 0 HB2 LYS A 74 15.093 -5.639 -2.395 1.00 24.44 H new ATOM 0 HB3 LYS A 74 14.619 -6.646 -3.749 1.00 24.44 H new ATOM 0 HG2 LYS A 74 16.906 -6.562 -4.655 1.00 21.54 H new ATOM 0 HG3 LYS A 74 17.399 -5.469 -3.377 1.00 21.54 H new ATOM 0 HD2 LYS A 74 16.828 -7.213 -1.678 1.00 44.11 H new ATOM 0 HD3 LYS A 74 16.363 -8.306 -2.966 1.00 44.11 H new ATOM 0 HE2 LYS A 74 19.143 -7.115 -2.588 1.00 65.02 H new ATOM 0 HE3 LYS A 74 18.671 -8.743 -2.142 1.00 65.02 H new ATOM 0 HZ1 LYS A 74 19.734 -8.845 -4.228 1.00 14.53 H new ATOM 0 HZ2 LYS A 74 18.081 -9.101 -4.520 1.00 14.53 H new ATOM 0 HZ3 LYS A 74 18.782 -7.595 -4.872 1.00 14.53 H new ATOM 1236 N ARG A 75 16.781 -3.056 -4.521 1.00 11.10 N ATOM 1237 CA ARG A 75 17.613 -1.952 -4.146 1.00 52.22 C ATOM 1238 C ARG A 75 17.487 -0.811 -5.147 1.00 42.13 C ATOM 1239 O ARG A 75 17.574 -1.016 -6.370 1.00 13.14 O ATOM 1240 CB ARG A 75 19.076 -2.355 -3.993 1.00 11.03 C ATOM 1241 CG ARG A 75 19.933 -1.210 -3.484 1.00 5.01 C ATOM 1242 CD ARG A 75 21.395 -1.562 -3.404 1.00 73.34 C ATOM 1243 NE ARG A 75 22.172 -0.426 -2.895 1.00 32.32 N ATOM 1244 CZ ARG A 75 23.478 -0.239 -3.080 1.00 42.41 C ATOM 1245 NH1 ARG A 75 24.184 -1.099 -3.808 1.00 21.34 N ATOM 1246 NH2 ARG A 75 24.082 0.819 -2.541 1.00 3.32 N ATOM 0 H ARG A 75 17.065 -3.541 -5.372 1.00 11.10 H new ATOM 0 HA ARG A 75 17.261 -1.612 -3.172 1.00 52.22 H new ATOM 0 HB2 ARG A 75 19.150 -3.197 -3.304 1.00 11.03 H new ATOM 0 HB3 ARG A 75 19.460 -2.695 -4.954 1.00 11.03 H new ATOM 0 HG2 ARG A 75 19.807 -0.349 -4.141 1.00 5.01 H new ATOM 0 HG3 ARG A 75 19.582 -0.911 -2.496 1.00 5.01 H new ATOM 0 HD2 ARG A 75 21.532 -2.425 -2.752 1.00 73.34 H new ATOM 0 HD3 ARG A 75 21.761 -1.847 -4.391 1.00 73.34 H new ATOM 0 HE ARG A 75 21.671 0.279 -2.355 1.00 32.32 H new ATOM 0 HH11 ARG A 75 23.726 -1.908 -4.229 1.00 21.34 H new ATOM 0 HH12 ARG A 75 25.184 -0.950 -3.946 1.00 21.34 H new ATOM 0 HH21 ARG A 75 23.545 1.486 -1.987 1.00 3.32 H new ATOM 0 HH22 ARG A 75 25.082 0.962 -2.682 1.00 3.32 H new ATOM 1260 N LEU A 76 17.293 0.362 -4.622 1.00 33.51 N ATOM 1261 CA LEU A 76 17.180 1.591 -5.363 1.00 53.10 C ATOM 1262 C LEU A 76 18.189 2.569 -4.754 1.00 64.20 C ATOM 1263 O LEU A 76 18.906 2.193 -3.818 1.00 53.23 O ATOM 1264 CB LEU A 76 15.745 2.193 -5.213 1.00 5.21 C ATOM 1265 CG LEU A 76 14.527 1.426 -5.766 1.00 33.53 C ATOM 1266 CD1 LEU A 76 14.673 1.085 -7.227 1.00 61.32 C ATOM 1267 CD2 LEU A 76 14.164 0.223 -4.929 1.00 73.34 C ATOM 0 H LEU A 76 17.204 0.498 -3.615 1.00 33.51 H new ATOM 0 HA LEU A 76 17.370 1.413 -6.421 1.00 53.10 H new ATOM 0 HB2 LEU A 76 15.571 2.355 -4.149 1.00 5.21 H new ATOM 0 HB3 LEU A 76 15.753 3.174 -5.688 1.00 5.21 H new ATOM 0 HG LEU A 76 13.683 2.112 -5.693 1.00 33.53 H new ATOM 0 HD11 LEU A 76 13.788 0.546 -7.565 1.00 61.32 H new ATOM 0 HD12 LEU A 76 14.782 2.002 -7.806 1.00 61.32 H new ATOM 0 HD13 LEU A 76 15.555 0.460 -7.368 1.00 61.32 H new ATOM 0 HD21 LEU A 76 13.300 -0.277 -5.366 1.00 73.34 H new ATOM 0 HD22 LEU A 76 15.007 -0.468 -4.900 1.00 73.34 H new ATOM 0 HD23 LEU A 76 13.923 0.544 -3.916 1.00 73.34 H new ATOM 1279 N PRO A 77 18.333 3.800 -5.292 1.00 63.24 N ATOM 1280 CA PRO A 77 19.139 4.848 -4.653 1.00 52.11 C ATOM 1281 C PRO A 77 18.597 5.195 -3.252 1.00 12.11 C ATOM 1282 O PRO A 77 17.465 4.845 -2.910 1.00 11.30 O ATOM 1283 CB PRO A 77 18.984 6.046 -5.595 1.00 21.11 C ATOM 1284 CG PRO A 77 18.654 5.442 -6.906 1.00 21.50 C ATOM 1285 CD PRO A 77 17.782 4.271 -6.589 1.00 31.54 C ATOM 0 HA PRO A 77 20.176 4.544 -4.507 1.00 52.11 H new ATOM 0 HB2 PRO A 77 18.195 6.718 -5.257 1.00 21.11 H new ATOM 0 HB3 PRO A 77 19.901 6.632 -5.647 1.00 21.11 H new ATOM 0 HG2 PRO A 77 18.138 6.155 -7.549 1.00 21.50 H new ATOM 0 HG3 PRO A 77 19.555 5.130 -7.434 1.00 21.50 H new ATOM 0 HD2 PRO A 77 16.734 4.557 -6.504 1.00 31.54 H new ATOM 0 HD3 PRO A 77 17.841 3.501 -7.358 1.00 31.54 H new ATOM 1293 N ASN A 78 19.412 5.864 -2.446 1.00 4.13 N ATOM 1294 CA ASN A 78 19.040 6.280 -1.066 1.00 11.12 C ATOM 1295 C ASN A 78 17.913 7.333 -1.045 1.00 64.01 C ATOM 1296 O ASN A 78 17.587 7.879 0.012 1.00 43.42 O ATOM 1297 CB ASN A 78 20.257 6.813 -0.300 1.00 23.23 C ATOM 1298 CG ASN A 78 21.345 5.780 -0.099 1.00 32.21 C ATOM 1299 OD1 ASN A 78 21.083 4.579 -0.005 1.00 31.05 O ATOM 1300 ND2 ASN A 78 22.571 6.231 -0.032 1.00 33.40 N ATOM 0 H ASN A 78 20.356 6.142 -2.715 1.00 4.13 H new ATOM 0 HA ASN A 78 18.666 5.383 -0.572 1.00 11.12 H new ATOM 0 HB2 ASN A 78 20.671 7.665 -0.839 1.00 23.23 H new ATOM 0 HB3 ASN A 78 19.931 7.180 0.673 1.00 23.23 H new ATOM 0 HD21 ASN A 78 23.346 5.582 0.102 1.00 33.40 H new ATOM 0 HD22 ASN A 78 22.752 7.232 -0.114 1.00 33.40 H new ATOM 1307 N TRP A 79 17.363 7.630 -2.225 1.00 62.23 N ATOM 1308 CA TRP A 79 16.173 8.477 -2.430 1.00 23.51 C ATOM 1309 C TRP A 79 16.389 9.962 -2.220 1.00 25.13 C ATOM 1310 O TRP A 79 15.917 10.759 -3.022 1.00 11.15 O ATOM 1311 CB TRP A 79 14.968 7.985 -1.620 1.00 44.12 C ATOM 1312 CG TRP A 79 14.576 6.588 -1.956 1.00 45.35 C ATOM 1313 CD1 TRP A 79 14.770 5.478 -1.192 1.00 12.10 C ATOM 1314 CD2 TRP A 79 13.955 6.145 -3.160 1.00 20.34 C ATOM 1315 NE1 TRP A 79 14.289 4.374 -1.843 1.00 42.55 N ATOM 1316 CE2 TRP A 79 13.786 4.761 -3.052 1.00 22.44 C ATOM 1317 CE3 TRP A 79 13.519 6.790 -4.321 1.00 70.43 C ATOM 1318 CZ2 TRP A 79 13.203 4.007 -4.044 1.00 35.23 C ATOM 1319 CZ3 TRP A 79 12.941 6.032 -5.317 1.00 42.20 C ATOM 1320 CH2 TRP A 79 12.785 4.653 -5.171 1.00 72.21 C ATOM 0 H TRP A 79 17.745 7.276 -3.102 1.00 62.23 H new ATOM 0 HA TRP A 79 15.958 8.365 -3.493 1.00 23.51 H new ATOM 0 HB2 TRP A 79 15.202 8.046 -0.557 1.00 44.12 H new ATOM 0 HB3 TRP A 79 14.121 8.648 -1.799 1.00 44.12 H new ATOM 0 HD1 TRP A 79 15.234 5.470 -0.217 1.00 12.10 H new ATOM 0 HE1 TRP A 79 14.304 3.419 -1.484 1.00 42.55 H new ATOM 0 HE3 TRP A 79 13.632 7.858 -4.435 1.00 70.43 H new ATOM 0 HZ2 TRP A 79 13.080 2.940 -3.935 1.00 35.23 H new ATOM 0 HZ3 TRP A 79 12.604 6.513 -6.224 1.00 42.20 H new ATOM 0 HH2 TRP A 79 12.324 4.086 -5.966 1.00 72.21 H new ATOM 1331 N ARG A 80 17.109 10.322 -1.172 1.00 64.12 N ATOM 1332 CA ARG A 80 17.314 11.721 -0.787 1.00 14.21 C ATOM 1333 C ARG A 80 17.796 12.587 -1.944 1.00 1.21 C ATOM 1334 O ARG A 80 17.315 13.697 -2.134 1.00 35.34 O ATOM 1335 CB ARG A 80 18.305 11.845 0.368 1.00 64.41 C ATOM 1336 CG ARG A 80 17.957 11.027 1.599 1.00 72.31 C ATOM 1337 CD ARG A 80 18.882 11.367 2.748 1.00 34.21 C ATOM 1338 NE ARG A 80 20.305 11.214 2.404 1.00 43.32 N ATOM 1339 CZ ARG A 80 21.272 12.032 2.845 1.00 25.02 C ATOM 1340 NH1 ARG A 80 20.971 13.051 3.647 1.00 1.55 N ATOM 1341 NH2 ARG A 80 22.528 11.831 2.479 1.00 72.42 N ATOM 0 H ARG A 80 17.573 9.654 -0.556 1.00 64.12 H new ATOM 0 HA ARG A 80 16.335 12.083 -0.472 1.00 14.21 H new ATOM 0 HB2 ARG A 80 19.291 11.543 0.016 1.00 64.41 H new ATOM 0 HB3 ARG A 80 18.377 12.894 0.655 1.00 64.41 H new ATOM 0 HG2 ARG A 80 16.924 11.219 1.889 1.00 72.31 H new ATOM 0 HG3 ARG A 80 18.031 9.964 1.368 1.00 72.31 H new ATOM 0 HD2 ARG A 80 18.698 12.394 3.064 1.00 34.21 H new ATOM 0 HD3 ARG A 80 18.648 10.726 3.598 1.00 34.21 H new ATOM 0 HE ARG A 80 20.571 10.441 1.795 1.00 43.32 H new ATOM 0 HH11 ARG A 80 20.003 13.211 3.927 1.00 1.55 H new ATOM 0 HH12 ARG A 80 21.708 13.672 3.981 1.00 1.55 H new ATOM 0 HH21 ARG A 80 22.761 11.054 1.861 1.00 72.42 H new ATOM 0 HH22 ARG A 80 23.263 12.454 2.815 1.00 72.42 H new ATOM 1355 N THR A 81 18.706 12.064 -2.727 1.00 42.40 N ATOM 1356 CA THR A 81 19.287 12.818 -3.807 1.00 75.44 C ATOM 1357 C THR A 81 18.531 12.643 -5.140 1.00 72.51 C ATOM 1358 O THR A 81 18.979 13.111 -6.195 1.00 74.33 O ATOM 1359 CB THR A 81 20.782 12.484 -3.943 1.00 50.11 C ATOM 1360 OG1 THR A 81 20.965 11.059 -4.050 1.00 35.02 O ATOM 1361 CG2 THR A 81 21.532 12.974 -2.720 1.00 52.04 C ATOM 0 H THR A 81 19.062 11.112 -2.635 1.00 42.40 H new ATOM 0 HA THR A 81 19.190 13.874 -3.557 1.00 75.44 H new ATOM 0 HB THR A 81 21.164 12.974 -4.839 1.00 50.11 H new ATOM 0 HG1 THR A 81 21.919 10.845 -3.977 1.00 35.02 H new ATOM 0 HG21 THR A 81 22.590 12.735 -2.822 1.00 52.04 H new ATOM 0 HG22 THR A 81 21.411 14.053 -2.627 1.00 52.04 H new ATOM 0 HG23 THR A 81 21.134 12.487 -1.830 1.00 52.04 H new ATOM 1369 N ARG A 82 17.387 11.989 -5.080 1.00 40.43 N ATOM 1370 CA ARG A 82 16.530 11.807 -6.243 1.00 63.12 C ATOM 1371 C ARG A 82 15.154 12.408 -5.988 1.00 65.13 C ATOM 1372 O ARG A 82 14.883 13.546 -6.368 1.00 15.45 O ATOM 1373 CB ARG A 82 16.401 10.322 -6.684 1.00 43.20 C ATOM 1374 CG ARG A 82 17.567 9.724 -7.496 1.00 13.31 C ATOM 1375 CD ARG A 82 18.905 9.679 -6.767 1.00 73.13 C ATOM 1376 NE ARG A 82 19.940 9.042 -7.608 1.00 62.32 N ATOM 1377 CZ ARG A 82 21.260 8.994 -7.343 1.00 73.03 C ATOM 1378 NH1 ARG A 82 21.755 9.595 -6.266 1.00 73.14 N ATOM 1379 NH2 ARG A 82 22.078 8.352 -8.167 1.00 13.00 N ATOM 0 H ARG A 82 17.023 11.568 -4.225 1.00 40.43 H new ATOM 0 HA ARG A 82 17.011 12.333 -7.068 1.00 63.12 H new ATOM 0 HB2 ARG A 82 16.266 9.714 -5.789 1.00 43.20 H new ATOM 0 HB3 ARG A 82 15.491 10.223 -7.276 1.00 43.20 H new ATOM 0 HG2 ARG A 82 17.299 8.711 -7.795 1.00 13.31 H new ATOM 0 HG3 ARG A 82 17.688 10.305 -8.410 1.00 13.31 H new ATOM 0 HD2 ARG A 82 19.215 10.690 -6.504 1.00 73.13 H new ATOM 0 HD3 ARG A 82 18.797 9.126 -5.834 1.00 73.13 H new ATOM 0 HE ARG A 82 19.625 8.597 -8.470 1.00 62.32 H new ATOM 0 HH11 ARG A 82 21.134 10.098 -5.632 1.00 73.14 H new ATOM 0 HH12 ARG A 82 22.756 9.553 -6.073 1.00 73.14 H new ATOM 0 HH21 ARG A 82 21.707 7.895 -9.000 1.00 13.00 H new ATOM 0 HH22 ARG A 82 23.078 8.315 -7.967 1.00 13.00 H new ATOM 1393 N GLY A 83 14.319 11.666 -5.304 1.00 41.14 N ATOM 1394 CA GLY A 83 12.988 12.105 -5.012 1.00 40.31 C ATOM 1395 C GLY A 83 12.096 10.933 -4.700 1.00 2.21 C ATOM 1396 O GLY A 83 12.324 9.823 -5.196 1.00 54.42 O ATOM 0 H GLY A 83 14.548 10.742 -4.937 1.00 41.14 H new ATOM 0 HA2 GLY A 83 13.004 12.791 -4.165 1.00 40.31 H new ATOM 0 HA3 GLY A 83 12.587 12.657 -5.862 1.00 40.31 H new ATOM 1400 N LEU A 84 11.102 11.157 -3.878 1.00 34.14 N ATOM 1401 CA LEU A 84 10.167 10.114 -3.503 1.00 4.32 C ATOM 1402 C LEU A 84 9.037 9.985 -4.483 1.00 73.01 C ATOM 1403 O LEU A 84 8.325 8.970 -4.488 1.00 41.21 O ATOM 1404 CB LEU A 84 9.647 10.251 -2.064 1.00 34.02 C ATOM 1405 CG LEU A 84 10.602 9.830 -0.939 1.00 1.13 C ATOM 1406 CD1 LEU A 84 11.032 8.389 -1.137 1.00 62.01 C ATOM 1407 CD2 LEU A 84 11.813 10.752 -0.822 1.00 53.43 C ATOM 0 H LEU A 84 10.914 12.063 -3.448 1.00 34.14 H new ATOM 0 HA LEU A 84 10.740 9.187 -3.536 1.00 4.32 H new ATOM 0 HB2 LEU A 84 9.369 11.292 -1.901 1.00 34.02 H new ATOM 0 HB3 LEU A 84 8.736 9.660 -1.975 1.00 34.02 H new ATOM 0 HG LEU A 84 10.059 9.916 0.002 1.00 1.13 H new ATOM 0 HD11 LEU A 84 11.710 8.098 -0.334 1.00 62.01 H new ATOM 0 HD12 LEU A 84 10.155 7.742 -1.124 1.00 62.01 H new ATOM 0 HD13 LEU A 84 11.541 8.290 -2.096 1.00 62.01 H new ATOM 0 HD21 LEU A 84 12.455 10.408 -0.011 1.00 53.43 H new ATOM 0 HD22 LEU A 84 12.372 10.739 -1.758 1.00 53.43 H new ATOM 0 HD23 LEU A 84 11.478 11.768 -0.614 1.00 53.43 H new ATOM 1419 N GLU A 85 8.868 10.995 -5.305 1.00 32.34 N ATOM 1420 CA GLU A 85 7.866 10.972 -6.341 1.00 20.42 C ATOM 1421 C GLU A 85 8.064 9.811 -7.334 1.00 61.41 C ATOM 1422 O GLU A 85 7.091 9.186 -7.762 1.00 60.14 O ATOM 1423 CB GLU A 85 7.659 12.367 -6.980 1.00 13.42 C ATOM 1424 CG GLU A 85 8.921 13.212 -7.202 1.00 60.23 C ATOM 1425 CD GLU A 85 9.922 12.630 -8.156 1.00 73.21 C ATOM 1426 OE1 GLU A 85 10.792 11.870 -7.723 1.00 20.20 O ATOM 1427 OE2 GLU A 85 9.869 12.968 -9.357 1.00 3.13 O ATOM 0 H GLU A 85 9.420 11.852 -5.273 1.00 32.34 H new ATOM 0 HA GLU A 85 6.909 10.745 -5.871 1.00 20.42 H new ATOM 0 HB2 GLU A 85 7.165 12.232 -7.942 1.00 13.42 H new ATOM 0 HB3 GLU A 85 6.975 12.934 -6.348 1.00 13.42 H new ATOM 0 HG2 GLU A 85 8.621 14.193 -7.570 1.00 60.23 H new ATOM 0 HG3 GLU A 85 9.408 13.367 -6.240 1.00 60.23 H new ATOM 1434 N GLN A 86 9.327 9.506 -7.640 1.00 72.01 N ATOM 1435 CA GLN A 86 9.696 8.333 -8.452 1.00 71.23 C ATOM 1436 C GLN A 86 9.124 7.060 -7.820 1.00 53.01 C ATOM 1437 O GLN A 86 8.512 6.215 -8.489 1.00 52.30 O ATOM 1438 CB GLN A 86 11.231 8.176 -8.475 1.00 42.32 C ATOM 1439 CG GLN A 86 12.019 9.328 -9.082 1.00 45.33 C ATOM 1440 CD GLN A 86 11.817 9.495 -10.577 1.00 25.35 C ATOM 1441 OE1 GLN A 86 10.764 9.185 -11.129 1.00 21.52 O ATOM 1442 NE2 GLN A 86 12.833 9.980 -11.241 1.00 13.22 N ATOM 0 H GLN A 86 10.126 10.062 -7.334 1.00 72.01 H new ATOM 0 HA GLN A 86 9.303 8.478 -9.458 1.00 71.23 H new ATOM 0 HB2 GLN A 86 11.575 8.029 -7.451 1.00 42.32 H new ATOM 0 HB3 GLN A 86 11.474 7.268 -9.027 1.00 42.32 H new ATOM 0 HG2 GLN A 86 11.733 10.253 -8.582 1.00 45.33 H new ATOM 0 HG3 GLN A 86 13.080 9.173 -8.884 1.00 45.33 H new ATOM 0 HE21 GLN A 86 13.692 10.227 -10.750 1.00 13.22 H new ATOM 0 HE22 GLN A 86 12.767 10.112 -12.250 1.00 13.22 H new ATOM 1451 N ARG A 87 9.325 6.955 -6.520 1.00 50.30 N ATOM 1452 CA ARG A 87 8.965 5.786 -5.751 1.00 71.31 C ATOM 1453 C ARG A 87 7.465 5.637 -5.544 1.00 74.23 C ATOM 1454 O ARG A 87 6.896 4.610 -5.905 1.00 2.35 O ATOM 1455 CB ARG A 87 9.676 5.855 -4.414 1.00 70.14 C ATOM 1456 CG ARG A 87 9.336 4.760 -3.440 1.00 74.04 C ATOM 1457 CD ARG A 87 10.229 4.856 -2.240 1.00 74.51 C ATOM 1458 NE ARG A 87 9.846 3.925 -1.196 1.00 34.41 N ATOM 1459 CZ ARG A 87 10.694 3.395 -0.316 1.00 20.13 C ATOM 1460 NH1 ARG A 87 11.974 3.655 -0.386 1.00 51.05 N ATOM 1461 NH2 ARG A 87 10.249 2.596 0.633 1.00 53.34 N ATOM 0 H ARG A 87 9.751 7.695 -5.962 1.00 50.30 H new ATOM 0 HA ARG A 87 9.276 4.907 -6.315 1.00 71.31 H new ATOM 0 HB2 ARG A 87 10.751 5.837 -4.593 1.00 70.14 H new ATOM 0 HB3 ARG A 87 9.446 6.814 -3.950 1.00 70.14 H new ATOM 0 HG2 ARG A 87 8.292 4.842 -3.136 1.00 74.04 H new ATOM 0 HG3 ARG A 87 9.454 3.787 -3.916 1.00 74.04 H new ATOM 0 HD2 ARG A 87 11.259 4.660 -2.539 1.00 74.51 H new ATOM 0 HD3 ARG A 87 10.199 5.872 -1.847 1.00 74.51 H new ATOM 0 HE ARG A 87 8.863 3.659 -1.131 1.00 34.41 H new ATOM 0 HH11 ARG A 87 12.330 4.268 -1.119 1.00 51.05 H new ATOM 0 HH12 ARG A 87 12.616 3.245 0.292 1.00 51.05 H new ATOM 0 HH21 ARG A 87 9.254 2.382 0.695 1.00 53.34 H new ATOM 0 HH22 ARG A 87 10.900 2.191 1.306 1.00 53.34 H new ATOM 1475 N ARG A 88 6.823 6.657 -4.980 1.00 3.42 N ATOM 1476 CA ARG A 88 5.394 6.579 -4.695 1.00 44.04 C ATOM 1477 C ARG A 88 4.576 6.293 -5.949 1.00 34.24 C ATOM 1478 O ARG A 88 3.714 5.452 -5.923 1.00 1.35 O ATOM 1479 CB ARG A 88 4.863 7.820 -3.945 1.00 75.53 C ATOM 1480 CG ARG A 88 4.950 9.124 -4.706 1.00 30.43 C ATOM 1481 CD ARG A 88 4.378 10.272 -3.893 1.00 45.42 C ATOM 1482 NE ARG A 88 4.410 11.533 -4.636 1.00 44.12 N ATOM 1483 CZ ARG A 88 4.166 12.742 -4.119 1.00 42.01 C ATOM 1484 NH1 ARG A 88 3.856 12.875 -2.838 1.00 43.12 N ATOM 1485 NH2 ARG A 88 4.226 13.818 -4.895 1.00 72.21 N ATOM 0 H ARG A 88 7.264 7.537 -4.714 1.00 3.42 H new ATOM 0 HA ARG A 88 5.269 5.731 -4.021 1.00 44.04 H new ATOM 0 HB2 ARG A 88 3.821 7.644 -3.678 1.00 75.53 H new ATOM 0 HB3 ARG A 88 5.418 7.925 -3.013 1.00 75.53 H new ATOM 0 HG2 ARG A 88 5.990 9.334 -4.955 1.00 30.43 H new ATOM 0 HG3 ARG A 88 4.408 9.036 -5.648 1.00 30.43 H new ATOM 0 HD2 ARG A 88 3.350 10.042 -3.612 1.00 45.42 H new ATOM 0 HD3 ARG A 88 4.945 10.380 -2.968 1.00 45.42 H new ATOM 0 HE ARG A 88 4.637 11.486 -5.629 1.00 44.12 H new ATOM 0 HH11 ARG A 88 3.802 12.052 -2.238 1.00 43.12 H new ATOM 0 HH12 ARG A 88 3.671 13.801 -2.451 1.00 43.12 H new ATOM 0 HH21 ARG A 88 4.458 13.722 -5.884 1.00 72.21 H new ATOM 0 HH22 ARG A 88 4.040 14.741 -4.502 1.00 72.21 H new ATOM 1499 N GLN A 89 4.900 6.962 -7.049 1.00 61.13 N ATOM 1500 CA GLN A 89 4.186 6.769 -8.304 1.00 23.03 C ATOM 1501 C GLN A 89 4.413 5.375 -8.895 1.00 73.34 C ATOM 1502 O GLN A 89 3.459 4.724 -9.352 1.00 22.31 O ATOM 1503 CB GLN A 89 4.554 7.869 -9.308 1.00 31.04 C ATOM 1504 CG GLN A 89 4.017 7.649 -10.713 1.00 10.10 C ATOM 1505 CD GLN A 89 4.314 8.808 -11.636 1.00 71.53 C ATOM 1506 OE1 GLN A 89 4.367 9.957 -11.213 1.00 14.12 O ATOM 1507 NE2 GLN A 89 4.552 8.516 -12.886 1.00 2.05 N ATOM 0 H GLN A 89 5.656 7.645 -7.096 1.00 61.13 H new ATOM 0 HA GLN A 89 3.120 6.843 -8.087 1.00 23.03 H new ATOM 0 HB2 GLN A 89 4.180 8.823 -8.935 1.00 31.04 H new ATOM 0 HB3 GLN A 89 5.640 7.950 -9.357 1.00 31.04 H new ATOM 0 HG2 GLN A 89 4.453 6.739 -11.126 1.00 10.10 H new ATOM 0 HG3 GLN A 89 2.939 7.494 -10.666 1.00 10.10 H new ATOM 0 HE21 GLN A 89 4.499 7.548 -13.203 1.00 2.05 H new ATOM 0 HE22 GLN A 89 4.791 9.256 -13.546 1.00 2.05 H new ATOM 1516 N GLY A 90 5.659 4.917 -8.868 1.00 62.04 N ATOM 1517 CA GLY A 90 5.990 3.615 -9.426 1.00 4.43 C ATOM 1518 C GLY A 90 5.303 2.477 -8.694 1.00 1.31 C ATOM 1519 O GLY A 90 4.630 1.634 -9.315 1.00 31.41 O ATOM 0 H GLY A 90 6.449 5.424 -8.469 1.00 62.04 H new ATOM 0 HA2 GLY A 90 5.705 3.591 -10.478 1.00 4.43 H new ATOM 0 HA3 GLY A 90 7.069 3.470 -9.385 1.00 4.43 H new ATOM 1523 N LEU A 91 5.430 2.469 -7.379 1.00 5.24 N ATOM 1524 CA LEU A 91 4.825 1.425 -6.558 1.00 31.12 C ATOM 1525 C LEU A 91 3.308 1.534 -6.557 1.00 72.03 C ATOM 1526 O LEU A 91 2.605 0.525 -6.449 1.00 51.23 O ATOM 1527 CB LEU A 91 5.398 1.391 -5.115 1.00 33.33 C ATOM 1528 CG LEU A 91 6.853 0.860 -4.926 1.00 71.32 C ATOM 1529 CD1 LEU A 91 6.973 -0.580 -5.390 1.00 41.24 C ATOM 1530 CD2 LEU A 91 7.883 1.725 -5.634 1.00 21.34 C ATOM 0 H LEU A 91 5.947 3.173 -6.852 1.00 5.24 H new ATOM 0 HA LEU A 91 5.091 0.472 -7.015 1.00 31.12 H new ATOM 0 HB2 LEU A 91 5.355 2.403 -4.713 1.00 33.33 H new ATOM 0 HB3 LEU A 91 4.735 0.778 -4.505 1.00 33.33 H new ATOM 0 HG LEU A 91 7.063 0.907 -3.858 1.00 71.32 H new ATOM 0 HD11 LEU A 91 7.997 -0.924 -5.247 1.00 41.24 H new ATOM 0 HD12 LEU A 91 6.295 -1.207 -4.810 1.00 41.24 H new ATOM 0 HD13 LEU A 91 6.713 -0.645 -6.447 1.00 41.24 H new ATOM 0 HD21 LEU A 91 8.879 1.312 -5.471 1.00 21.34 H new ATOM 0 HD22 LEU A 91 7.669 1.745 -6.703 1.00 21.34 H new ATOM 0 HD23 LEU A 91 7.841 2.739 -5.237 1.00 21.34 H new ATOM 1542 N GLU A 92 2.811 2.761 -6.705 1.00 43.42 N ATOM 1543 CA GLU A 92 1.383 3.018 -6.812 1.00 12.02 C ATOM 1544 C GLU A 92 0.845 2.306 -8.024 1.00 21.11 C ATOM 1545 O GLU A 92 -0.165 1.618 -7.953 1.00 61.43 O ATOM 1546 CB GLU A 92 1.143 4.508 -6.968 1.00 33.10 C ATOM 1547 CG GLU A 92 -0.300 4.913 -7.082 1.00 44.31 C ATOM 1548 CD GLU A 92 -0.432 6.385 -7.316 1.00 23.22 C ATOM 1549 OE1 GLU A 92 -0.462 7.153 -6.336 1.00 64.11 O ATOM 1550 OE2 GLU A 92 -0.500 6.805 -8.497 1.00 63.23 O ATOM 0 H GLU A 92 3.388 3.600 -6.754 1.00 43.42 H new ATOM 0 HA GLU A 92 0.881 2.660 -5.913 1.00 12.02 H new ATOM 0 HB2 GLU A 92 1.582 5.022 -6.113 1.00 33.10 H new ATOM 0 HB3 GLU A 92 1.673 4.855 -7.855 1.00 33.10 H new ATOM 0 HG2 GLU A 92 -0.770 4.368 -7.901 1.00 44.31 H new ATOM 0 HG3 GLU A 92 -0.831 4.638 -6.171 1.00 44.31 H new ATOM 1557 N ALA A 93 1.557 2.459 -9.132 1.00 3.20 N ATOM 1558 CA ALA A 93 1.189 1.848 -10.388 1.00 61.34 C ATOM 1559 C ALA A 93 1.117 0.335 -10.251 1.00 50.20 C ATOM 1560 O ALA A 93 0.285 -0.309 -10.884 1.00 12.13 O ATOM 1561 CB ALA A 93 2.169 2.248 -11.476 1.00 2.53 C ATOM 0 H ALA A 93 2.411 3.015 -9.178 1.00 3.20 H new ATOM 0 HA ALA A 93 0.199 2.206 -10.670 1.00 61.34 H new ATOM 0 HB1 ALA A 93 1.879 1.780 -12.417 1.00 2.53 H new ATOM 0 HB2 ALA A 93 2.161 3.332 -11.592 1.00 2.53 H new ATOM 0 HB3 ALA A 93 3.171 1.920 -11.201 1.00 2.53 H new ATOM 1567 N TYR A 94 1.981 -0.233 -9.433 1.00 43.40 N ATOM 1568 CA TYR A 94 1.925 -1.662 -9.186 1.00 64.41 C ATOM 1569 C TYR A 94 0.763 -2.071 -8.288 1.00 43.53 C ATOM 1570 O TYR A 94 0.004 -2.968 -8.645 1.00 44.42 O ATOM 1571 CB TYR A 94 3.252 -2.243 -8.689 1.00 15.43 C ATOM 1572 CG TYR A 94 4.312 -2.272 -9.756 1.00 70.32 C ATOM 1573 CD1 TYR A 94 4.286 -3.251 -10.736 1.00 71.33 C ATOM 1574 CD2 TYR A 94 5.319 -1.328 -9.801 1.00 12.31 C ATOM 1575 CE1 TYR A 94 5.233 -3.287 -11.729 1.00 4.34 C ATOM 1576 CE2 TYR A 94 6.269 -1.353 -10.799 1.00 24.22 C ATOM 1577 CZ TYR A 94 6.220 -2.336 -11.762 1.00 64.15 C ATOM 1578 OH TYR A 94 7.162 -2.363 -12.766 1.00 65.00 O ATOM 0 H TYR A 94 2.720 0.263 -8.934 1.00 43.40 H new ATOM 0 HA TYR A 94 1.737 -2.105 -10.164 1.00 64.41 H new ATOM 0 HB2 TYR A 94 3.609 -1.652 -7.845 1.00 15.43 H new ATOM 0 HB3 TYR A 94 3.085 -3.256 -8.322 1.00 15.43 H new ATOM 0 HD1 TYR A 94 3.507 -3.999 -10.718 1.00 71.33 H new ATOM 0 HD2 TYR A 94 5.363 -0.559 -9.043 1.00 12.31 H new ATOM 0 HE1 TYR A 94 5.201 -4.061 -12.481 1.00 4.34 H new ATOM 0 HE2 TYR A 94 7.048 -0.605 -10.826 1.00 24.22 H new ATOM 0 HH TYR A 94 7.790 -1.620 -12.646 1.00 65.00 H new ATOM 1588 N ILE A 95 0.600 -1.409 -7.152 1.00 34.41 N ATOM 1589 CA ILE A 95 -0.464 -1.786 -6.212 1.00 4.42 C ATOM 1590 C ILE A 95 -1.846 -1.497 -6.802 1.00 65.13 C ATOM 1591 O ILE A 95 -2.758 -2.316 -6.707 1.00 12.20 O ATOM 1592 CB ILE A 95 -0.298 -1.119 -4.810 1.00 53.24 C ATOM 1593 CG1 ILE A 95 1.100 -1.440 -4.278 1.00 35.04 C ATOM 1594 CG2 ILE A 95 -1.362 -1.647 -3.832 1.00 55.20 C ATOM 1595 CD1 ILE A 95 1.383 -0.975 -2.864 1.00 42.10 C ATOM 0 H ILE A 95 1.176 -0.621 -6.855 1.00 34.41 H new ATOM 0 HA ILE A 95 -0.375 -2.861 -6.055 1.00 4.42 H new ATOM 0 HB ILE A 95 -0.426 -0.041 -4.904 1.00 53.24 H new ATOM 0 HG12 ILE A 95 1.248 -2.519 -4.323 1.00 35.04 H new ATOM 0 HG13 ILE A 95 1.836 -0.989 -4.944 1.00 35.04 H new ATOM 0 HG21 ILE A 95 -1.231 -1.171 -2.860 1.00 55.20 H new ATOM 0 HG22 ILE A 95 -2.356 -1.418 -4.217 1.00 55.20 H new ATOM 0 HG23 ILE A 95 -1.254 -2.726 -3.725 1.00 55.20 H new ATOM 0 HD11 ILE A 95 2.400 -1.253 -2.586 1.00 42.10 H new ATOM 0 HD12 ILE A 95 1.275 0.108 -2.809 1.00 42.10 H new ATOM 0 HD13 ILE A 95 0.678 -1.445 -2.178 1.00 42.10 H new ATOM 1607 N GLN A 96 -1.983 -0.352 -7.442 1.00 44.12 N ATOM 1608 CA GLN A 96 -3.227 -0.002 -8.093 1.00 72.25 C ATOM 1609 C GLN A 96 -3.443 -0.900 -9.302 1.00 72.31 C ATOM 1610 O GLN A 96 -4.555 -1.323 -9.574 1.00 24.33 O ATOM 1611 CB GLN A 96 -3.225 1.465 -8.534 1.00 60.24 C ATOM 1612 CG GLN A 96 -4.484 1.879 -9.272 1.00 63.40 C ATOM 1613 CD GLN A 96 -4.439 3.300 -9.776 1.00 52.42 C ATOM 1614 OE1 GLN A 96 -3.372 3.840 -10.084 1.00 2.11 O ATOM 1615 NE2 GLN A 96 -5.583 3.904 -9.884 1.00 12.32 N ATOM 0 H GLN A 96 -1.248 0.350 -7.524 1.00 44.12 H new ATOM 0 HA GLN A 96 -4.038 -0.144 -7.379 1.00 72.25 H new ATOM 0 HB2 GLN A 96 -3.103 2.099 -7.656 1.00 60.24 H new ATOM 0 HB3 GLN A 96 -2.363 1.641 -9.177 1.00 60.24 H new ATOM 0 HG2 GLN A 96 -4.641 1.206 -10.115 1.00 63.40 H new ATOM 0 HG3 GLN A 96 -5.341 1.763 -8.608 1.00 63.40 H new ATOM 0 HE21 GLN A 96 -6.442 3.422 -9.618 1.00 12.32 H new ATOM 0 HE22 GLN A 96 -5.623 4.861 -10.234 1.00 12.32 H new ATOM 1624 N GLY A 97 -2.356 -1.196 -10.005 1.00 31.02 N ATOM 1625 CA GLY A 97 -2.414 -2.014 -11.193 1.00 30.31 C ATOM 1626 C GLY A 97 -2.951 -3.396 -10.930 1.00 63.52 C ATOM 1627 O GLY A 97 -3.812 -3.862 -11.655 1.00 2.33 O ATOM 0 H GLY A 97 -1.419 -0.874 -9.763 1.00 31.02 H new ATOM 0 HA2 GLY A 97 -3.041 -1.522 -11.936 1.00 30.31 H new ATOM 0 HA3 GLY A 97 -1.415 -2.094 -11.622 1.00 30.31 H new ATOM 1631 N ILE A 98 -2.467 -4.037 -9.877 1.00 33.31 N ATOM 1632 CA ILE A 98 -2.896 -5.398 -9.540 1.00 24.32 C ATOM 1633 C ILE A 98 -4.321 -5.413 -9.057 1.00 21.30 C ATOM 1634 O ILE A 98 -5.121 -6.299 -9.416 1.00 45.41 O ATOM 1635 CB ILE A 98 -1.927 -6.059 -8.528 1.00 0.44 C ATOM 1636 CG1 ILE A 98 -1.859 -5.330 -7.187 1.00 30.42 C ATOM 1637 CG2 ILE A 98 -0.614 -6.103 -9.151 1.00 31.05 C ATOM 1638 CD1 ILE A 98 -0.746 -5.798 -6.248 1.00 64.51 C ATOM 0 H ILE A 98 -1.777 -3.642 -9.238 1.00 33.31 H new ATOM 0 HA ILE A 98 -2.861 -5.998 -10.449 1.00 24.32 H new ATOM 0 HB ILE A 98 -2.295 -7.058 -8.295 1.00 0.44 H new ATOM 0 HG12 ILE A 98 -1.729 -4.265 -7.377 1.00 30.42 H new ATOM 0 HG13 ILE A 98 -2.816 -5.448 -6.678 1.00 30.42 H new ATOM 0 HG21 ILE A 98 0.098 -6.564 -8.466 1.00 31.05 H new ATOM 0 HG22 ILE A 98 -0.666 -6.689 -10.069 1.00 31.05 H new ATOM 0 HG23 ILE A 98 -0.288 -5.090 -9.386 1.00 31.05 H new ATOM 0 HD11 ILE A 98 -0.782 -5.220 -5.325 1.00 64.51 H new ATOM 0 HD12 ILE A 98 -0.883 -6.855 -6.020 1.00 64.51 H new ATOM 0 HD13 ILE A 98 0.221 -5.653 -6.729 1.00 64.51 H new ATOM 1650 N LEU A 99 -4.646 -4.399 -8.314 1.00 53.15 N ATOM 1651 CA LEU A 99 -5.951 -4.195 -7.791 1.00 20.34 C ATOM 1652 C LEU A 99 -6.947 -3.954 -8.942 1.00 13.32 C ATOM 1653 O LEU A 99 -8.092 -4.428 -8.912 1.00 14.22 O ATOM 1654 CB LEU A 99 -5.852 -3.029 -6.780 1.00 13.43 C ATOM 1655 CG LEU A 99 -7.100 -2.551 -6.060 1.00 64.53 C ATOM 1656 CD1 LEU A 99 -6.677 -1.786 -4.825 1.00 73.41 C ATOM 1657 CD2 LEU A 99 -7.922 -1.637 -6.955 1.00 52.13 C ATOM 0 H LEU A 99 -3.984 -3.670 -8.050 1.00 53.15 H new ATOM 0 HA LEU A 99 -6.334 -5.069 -7.265 1.00 20.34 H new ATOM 0 HB2 LEU A 99 -5.127 -3.318 -6.019 1.00 13.43 H new ATOM 0 HB3 LEU A 99 -5.433 -2.173 -7.310 1.00 13.43 H new ATOM 0 HG LEU A 99 -7.711 -3.413 -5.791 1.00 64.53 H new ATOM 0 HD11 LEU A 99 -7.562 -1.434 -4.294 1.00 73.41 H new ATOM 0 HD12 LEU A 99 -6.098 -2.440 -4.173 1.00 73.41 H new ATOM 0 HD13 LEU A 99 -6.066 -0.932 -5.117 1.00 73.41 H new ATOM 0 HD21 LEU A 99 -8.811 -1.306 -6.419 1.00 52.13 H new ATOM 0 HD22 LEU A 99 -7.325 -0.770 -7.236 1.00 52.13 H new ATOM 0 HD23 LEU A 99 -8.220 -2.179 -7.853 1.00 52.13 H new ATOM 1669 N TYR A 100 -6.486 -3.256 -9.960 1.00 30.53 N ATOM 1670 CA TYR A 100 -7.278 -2.961 -11.135 1.00 53.13 C ATOM 1671 C TYR A 100 -7.330 -4.170 -12.099 1.00 74.41 C ATOM 1672 O TYR A 100 -8.257 -4.286 -12.899 1.00 1.33 O ATOM 1673 CB TYR A 100 -6.732 -1.689 -11.841 1.00 20.42 C ATOM 1674 CG TYR A 100 -7.467 -1.292 -13.107 1.00 32.25 C ATOM 1675 CD1 TYR A 100 -8.703 -0.655 -13.053 1.00 61.43 C ATOM 1676 CD2 TYR A 100 -6.922 -1.560 -14.355 1.00 4.15 C ATOM 1677 CE1 TYR A 100 -9.373 -0.299 -14.212 1.00 34.23 C ATOM 1678 CE2 TYR A 100 -7.582 -1.211 -15.511 1.00 74.31 C ATOM 1679 CZ TYR A 100 -8.806 -0.582 -15.439 1.00 25.11 C ATOM 1680 OH TYR A 100 -9.463 -0.230 -16.609 1.00 24.11 O ATOM 0 H TYR A 100 -5.541 -2.874 -9.994 1.00 30.53 H new ATOM 0 HA TYR A 100 -8.303 -2.764 -10.820 1.00 53.13 H new ATOM 0 HB2 TYR A 100 -6.773 -0.856 -11.139 1.00 20.42 H new ATOM 0 HB3 TYR A 100 -5.682 -1.849 -12.084 1.00 20.42 H new ATOM 0 HD1 TYR A 100 -9.147 -0.435 -12.093 1.00 61.43 H new ATOM 0 HD2 TYR A 100 -5.962 -2.051 -14.420 1.00 4.15 H new ATOM 0 HE1 TYR A 100 -10.331 0.196 -14.156 1.00 34.23 H new ATOM 0 HE2 TYR A 100 -7.142 -1.430 -16.473 1.00 74.31 H new ATOM 0 HH TYR A 100 -8.924 -0.501 -17.381 1.00 24.11 H new ATOM 1690 N LEU A 101 -6.329 -5.070 -12.021 1.00 1.34 N ATOM 1691 CA LEU A 101 -6.309 -6.262 -12.888 1.00 23.40 C ATOM 1692 C LEU A 101 -7.501 -7.137 -12.621 1.00 5.21 C ATOM 1693 O LEU A 101 -8.360 -7.318 -13.485 1.00 42.00 O ATOM 1694 CB LEU A 101 -5.053 -7.125 -12.628 1.00 73.33 C ATOM 1695 CG LEU A 101 -3.694 -6.578 -13.060 1.00 53.21 C ATOM 1696 CD1 LEU A 101 -2.599 -7.528 -12.619 1.00 13.23 C ATOM 1697 CD2 LEU A 101 -3.641 -6.435 -14.564 1.00 11.01 C ATOM 0 H LEU A 101 -5.539 -4.996 -11.380 1.00 1.34 H new ATOM 0 HA LEU A 101 -6.315 -5.897 -13.915 1.00 23.40 H new ATOM 0 HB2 LEU A 101 -5.005 -7.327 -11.558 1.00 73.33 H new ATOM 0 HB3 LEU A 101 -5.199 -8.083 -13.127 1.00 73.33 H new ATOM 0 HG LEU A 101 -3.549 -5.601 -12.598 1.00 53.21 H new ATOM 0 HD11 LEU A 101 -1.630 -7.135 -12.928 1.00 13.23 H new ATOM 0 HD12 LEU A 101 -2.620 -7.629 -11.534 1.00 13.23 H new ATOM 0 HD13 LEU A 101 -2.758 -8.504 -13.077 1.00 13.23 H new ATOM 0 HD21 LEU A 101 -2.667 -6.044 -14.858 1.00 11.01 H new ATOM 0 HD22 LEU A 101 -3.796 -7.409 -15.028 1.00 11.01 H new ATOM 0 HD23 LEU A 101 -4.422 -5.748 -14.892 1.00 11.01 H new ATOM 1709 N ASN A 102 -7.599 -7.607 -11.393 1.00 64.44 N ATOM 1710 CA ASN A 102 -8.650 -8.553 -10.998 1.00 25.21 C ATOM 1711 C ASN A 102 -8.743 -8.674 -9.507 1.00 72.14 C ATOM 1712 O ASN A 102 -9.837 -8.839 -8.967 1.00 45.41 O ATOM 1713 CB ASN A 102 -8.408 -10.016 -11.541 1.00 35.30 C ATOM 1714 CG ASN A 102 -8.526 -10.223 -13.053 1.00 14.41 C ATOM 1715 OD1 ASN A 102 -7.541 -10.143 -13.788 1.00 72.13 O ATOM 1716 ND2 ASN A 102 -9.721 -10.487 -13.528 1.00 1.21 N ATOM 0 H ASN A 102 -6.962 -7.352 -10.638 1.00 64.44 H new ATOM 0 HA ASN A 102 -9.563 -8.143 -11.430 1.00 25.21 H new ATOM 0 HB2 ASN A 102 -7.411 -10.332 -11.232 1.00 35.30 H new ATOM 0 HB3 ASN A 102 -9.119 -10.681 -11.051 1.00 35.30 H new ATOM 0 HD21 ASN A 102 -9.851 -10.632 -14.529 1.00 1.21 H new ATOM 0 HD22 ASN A 102 -10.519 -10.547 -12.896 1.00 1.21 H new ATOM 1723 N GLN A 103 -7.609 -8.575 -8.816 1.00 42.55 N ATOM 1724 CA GLN A 103 -7.586 -8.965 -7.416 1.00 0.45 C ATOM 1725 C GLN A 103 -8.175 -7.946 -6.428 1.00 65.04 C ATOM 1726 O GLN A 103 -8.235 -8.253 -5.239 1.00 23.20 O ATOM 1727 CB GLN A 103 -6.172 -9.414 -7.015 1.00 73.00 C ATOM 1728 CG GLN A 103 -5.108 -8.328 -7.095 1.00 70.51 C ATOM 1729 CD GLN A 103 -4.671 -7.798 -5.735 1.00 73.15 C ATOM 1730 OE1 GLN A 103 -3.554 -7.368 -5.568 1.00 71.31 O ATOM 1731 NE2 GLN A 103 -5.525 -7.861 -4.763 1.00 2.25 N ATOM 0 H GLN A 103 -6.722 -8.239 -9.191 1.00 42.55 H new ATOM 0 HA GLN A 103 -8.273 -9.808 -7.338 1.00 0.45 H new ATOM 0 HB2 GLN A 103 -6.204 -9.797 -5.995 1.00 73.00 H new ATOM 0 HB3 GLN A 103 -5.874 -10.243 -7.657 1.00 73.00 H new ATOM 0 HG2 GLN A 103 -4.237 -8.723 -7.618 1.00 70.51 H new ATOM 0 HG3 GLN A 103 -5.490 -7.500 -7.692 1.00 70.51 H new ATOM 0 HE21 GLN A 103 -6.462 -8.228 -4.930 1.00 2.25 H new ATOM 0 HE22 GLN A 103 -5.261 -7.543 -3.830 1.00 2.25 H new ATOM 1740 N GLU A 104 -8.605 -6.754 -6.917 1.00 42.33 N ATOM 1741 CA GLU A 104 -9.170 -5.643 -6.055 1.00 14.52 C ATOM 1742 C GLU A 104 -8.211 -5.344 -4.881 1.00 64.42 C ATOM 1743 O GLU A 104 -7.027 -5.573 -5.010 1.00 3.33 O ATOM 1744 CB GLU A 104 -10.655 -5.901 -5.573 1.00 24.54 C ATOM 1745 CG GLU A 104 -10.882 -7.098 -4.660 1.00 44.13 C ATOM 1746 CD GLU A 104 -12.307 -7.230 -4.180 1.00 2.45 C ATOM 1747 OE1 GLU A 104 -12.688 -6.505 -3.242 1.00 3.12 O ATOM 1748 OE2 GLU A 104 -13.062 -8.090 -4.707 1.00 24.52 O ATOM 0 H GLU A 104 -8.577 -6.521 -7.910 1.00 42.33 H new ATOM 0 HA GLU A 104 -9.240 -4.754 -6.682 1.00 14.52 H new ATOM 0 HB2 GLU A 104 -11.004 -5.008 -5.055 1.00 24.54 H new ATOM 0 HB3 GLU A 104 -11.282 -6.023 -6.456 1.00 24.54 H new ATOM 0 HG2 GLU A 104 -10.600 -8.008 -5.190 1.00 44.13 H new ATOM 0 HG3 GLU A 104 -10.223 -7.016 -3.796 1.00 44.13 H new ATOM 1755 N VAL A 105 -8.690 -4.775 -3.785 1.00 0.15 N ATOM 1756 CA VAL A 105 -7.800 -4.515 -2.647 1.00 31.40 C ATOM 1757 C VAL A 105 -7.309 -5.847 -2.029 1.00 32.43 C ATOM 1758 O VAL A 105 -8.131 -6.686 -1.621 1.00 14.21 O ATOM 1759 CB VAL A 105 -8.450 -3.583 -1.566 1.00 33.53 C ATOM 1760 CG1 VAL A 105 -9.762 -4.147 -1.047 1.00 32.43 C ATOM 1761 CG2 VAL A 105 -7.481 -3.336 -0.409 1.00 33.35 C ATOM 0 H VAL A 105 -9.660 -4.489 -3.653 1.00 0.15 H new ATOM 0 HA VAL A 105 -6.937 -3.971 -3.031 1.00 31.40 H new ATOM 0 HB VAL A 105 -8.669 -2.631 -2.050 1.00 33.53 H new ATOM 0 HG11 VAL A 105 -10.179 -3.471 -0.300 1.00 32.43 H new ATOM 0 HG12 VAL A 105 -10.465 -4.253 -1.873 1.00 32.43 H new ATOM 0 HG13 VAL A 105 -9.585 -5.123 -0.594 1.00 32.43 H new ATOM 0 HG21 VAL A 105 -7.953 -2.687 0.329 1.00 33.35 H new ATOM 0 HG22 VAL A 105 -7.221 -4.286 0.057 1.00 33.35 H new ATOM 0 HG23 VAL A 105 -6.577 -2.858 -0.787 1.00 33.35 H new ATOM 1771 N PRO A 106 -5.960 -6.080 -2.019 1.00 13.41 N ATOM 1772 CA PRO A 106 -5.349 -7.296 -1.474 1.00 54.43 C ATOM 1773 C PRO A 106 -5.857 -7.688 -0.089 1.00 3.21 C ATOM 1774 O PRO A 106 -5.638 -6.982 0.908 1.00 55.34 O ATOM 1775 CB PRO A 106 -3.877 -6.944 -1.412 1.00 0.43 C ATOM 1776 CG PRO A 106 -3.678 -6.023 -2.550 1.00 70.23 C ATOM 1777 CD PRO A 106 -4.912 -5.174 -2.584 1.00 23.33 C ATOM 0 HA PRO A 106 -5.588 -8.161 -2.093 1.00 54.43 H new ATOM 0 HB2 PRO A 106 -3.620 -6.469 -0.465 1.00 0.43 H new ATOM 0 HB3 PRO A 106 -3.251 -7.831 -1.503 1.00 0.43 H new ATOM 0 HG2 PRO A 106 -2.784 -5.414 -2.413 1.00 70.23 H new ATOM 0 HG3 PRO A 106 -3.551 -6.571 -3.483 1.00 70.23 H new ATOM 0 HD2 PRO A 106 -4.796 -4.269 -1.987 1.00 23.33 H new ATOM 0 HD3 PRO A 106 -5.156 -4.857 -3.598 1.00 23.33 H new ATOM 1785 N LYS A 107 -6.517 -8.828 -0.053 1.00 72.34 N ATOM 1786 CA LYS A 107 -7.073 -9.421 1.151 1.00 13.35 C ATOM 1787 C LYS A 107 -5.946 -9.761 2.128 1.00 55.40 C ATOM 1788 O LYS A 107 -6.128 -9.725 3.347 1.00 4.13 O ATOM 1789 CB LYS A 107 -7.906 -10.675 0.722 1.00 1.25 C ATOM 1790 CG LYS A 107 -8.600 -11.522 1.815 1.00 61.23 C ATOM 1791 CD LYS A 107 -7.631 -12.409 2.597 1.00 52.23 C ATOM 1792 CE LYS A 107 -8.359 -13.343 3.562 1.00 42.21 C ATOM 1793 NZ LYS A 107 -9.124 -12.624 4.606 1.00 44.01 N ATOM 0 H LYS A 107 -6.688 -9.388 -0.888 1.00 72.34 H new ATOM 0 HA LYS A 107 -7.734 -8.729 1.673 1.00 13.35 H new ATOM 0 HB2 LYS A 107 -8.676 -10.337 0.028 1.00 1.25 H new ATOM 0 HB3 LYS A 107 -7.243 -11.336 0.165 1.00 1.25 H new ATOM 0 HG2 LYS A 107 -9.114 -10.857 2.509 1.00 61.23 H new ATOM 0 HG3 LYS A 107 -9.362 -12.149 1.351 1.00 61.23 H new ATOM 0 HD2 LYS A 107 -7.038 -13.000 1.899 1.00 52.23 H new ATOM 0 HD3 LYS A 107 -6.936 -11.782 3.155 1.00 52.23 H new ATOM 0 HE2 LYS A 107 -9.039 -13.980 2.997 1.00 42.21 H new ATOM 0 HE3 LYS A 107 -7.632 -13.999 4.041 1.00 42.21 H new ATOM 0 HZ1 LYS A 107 -9.580 -13.312 5.238 1.00 44.01 H new ATOM 0 HZ2 LYS A 107 -8.479 -12.023 5.157 1.00 44.01 H new ATOM 0 HZ3 LYS A 107 -9.851 -12.031 4.157 1.00 44.01 H new ATOM 1807 N GLU A 108 -4.775 -10.040 1.578 1.00 34.24 N ATOM 1808 CA GLU A 108 -3.627 -10.410 2.366 1.00 74.03 C ATOM 1809 C GLU A 108 -3.151 -9.248 3.241 1.00 63.33 C ATOM 1810 O GLU A 108 -2.606 -9.462 4.299 1.00 42.23 O ATOM 1811 CB GLU A 108 -2.501 -10.971 1.488 1.00 63.02 C ATOM 1812 CG GLU A 108 -1.323 -11.501 2.286 1.00 55.34 C ATOM 1813 CD GLU A 108 -0.321 -12.231 1.444 1.00 63.42 C ATOM 1814 OE1 GLU A 108 -0.501 -13.458 1.237 1.00 15.53 O ATOM 1815 OE2 GLU A 108 0.660 -11.618 1.004 1.00 55.15 O ATOM 0 H GLU A 108 -4.601 -10.014 0.573 1.00 34.24 H new ATOM 0 HA GLU A 108 -3.932 -11.210 3.040 1.00 74.03 H new ATOM 0 HB2 GLU A 108 -2.900 -11.773 0.866 1.00 63.02 H new ATOM 0 HB3 GLU A 108 -2.152 -10.189 0.814 1.00 63.02 H new ATOM 0 HG2 GLU A 108 -0.829 -10.669 2.788 1.00 55.34 H new ATOM 0 HG3 GLU A 108 -1.691 -12.170 3.064 1.00 55.34 H new ATOM 1822 N LEU A 109 -3.395 -8.010 2.809 1.00 61.31 N ATOM 1823 CA LEU A 109 -3.063 -6.848 3.635 1.00 4.33 C ATOM 1824 C LEU A 109 -3.949 -6.785 4.855 1.00 75.43 C ATOM 1825 O LEU A 109 -3.514 -6.357 5.937 1.00 41.04 O ATOM 1826 CB LEU A 109 -3.078 -5.530 2.846 1.00 41.43 C ATOM 1827 CG LEU A 109 -1.805 -5.190 2.046 1.00 11.12 C ATOM 1828 CD1 LEU A 109 -1.368 -6.332 1.159 1.00 15.25 C ATOM 1829 CD2 LEU A 109 -2.024 -3.931 1.218 1.00 61.31 C ATOM 0 H LEU A 109 -3.815 -7.787 1.906 1.00 61.31 H new ATOM 0 HA LEU A 109 -2.035 -6.980 3.971 1.00 4.33 H new ATOM 0 HB2 LEU A 109 -3.919 -5.557 2.153 1.00 41.43 H new ATOM 0 HB3 LEU A 109 -3.268 -4.716 3.546 1.00 41.43 H new ATOM 0 HG LEU A 109 -1.005 -5.014 2.765 1.00 11.12 H new ATOM 0 HD11 LEU A 109 -0.468 -6.046 0.615 1.00 15.25 H new ATOM 0 HD12 LEU A 109 -1.159 -7.209 1.772 1.00 15.25 H new ATOM 0 HD13 LEU A 109 -2.162 -6.566 0.449 1.00 15.25 H new ATOM 0 HD21 LEU A 109 -1.118 -3.702 0.658 1.00 61.31 H new ATOM 0 HD22 LEU A 109 -2.849 -4.091 0.524 1.00 61.31 H new ATOM 0 HD23 LEU A 109 -2.263 -3.098 1.879 1.00 61.31 H new ATOM 1841 N LEU A 110 -5.179 -7.242 4.701 1.00 24.12 N ATOM 1842 CA LEU A 110 -6.090 -7.328 5.822 1.00 1.30 C ATOM 1843 C LEU A 110 -5.615 -8.369 6.791 1.00 24.02 C ATOM 1844 O LEU A 110 -5.782 -8.222 7.979 1.00 64.13 O ATOM 1845 CB LEU A 110 -7.566 -7.556 5.414 1.00 11.33 C ATOM 1846 CG LEU A 110 -8.310 -6.366 4.764 1.00 12.54 C ATOM 1847 CD1 LEU A 110 -7.692 -5.944 3.449 1.00 52.21 C ATOM 1848 CD2 LEU A 110 -9.780 -6.683 4.589 1.00 70.35 C ATOM 0 H LEU A 110 -5.567 -7.558 3.812 1.00 24.12 H new ATOM 0 HA LEU A 110 -6.081 -6.354 6.310 1.00 1.30 H new ATOM 0 HB2 LEU A 110 -7.599 -8.395 4.719 1.00 11.33 H new ATOM 0 HB3 LEU A 110 -8.120 -7.856 6.303 1.00 11.33 H new ATOM 0 HG LEU A 110 -8.212 -5.521 5.445 1.00 12.54 H new ATOM 0 HD11 LEU A 110 -8.253 -5.106 3.036 1.00 52.21 H new ATOM 0 HD12 LEU A 110 -6.657 -5.643 3.613 1.00 52.21 H new ATOM 0 HD13 LEU A 110 -7.720 -6.779 2.749 1.00 52.21 H new ATOM 0 HD21 LEU A 110 -10.284 -5.832 4.130 1.00 70.35 H new ATOM 0 HD22 LEU A 110 -9.890 -7.558 3.949 1.00 70.35 H new ATOM 0 HD23 LEU A 110 -10.227 -6.887 5.562 1.00 70.35 H new ATOM 1860 N GLU A 111 -5.016 -9.398 6.276 1.00 51.13 N ATOM 1861 CA GLU A 111 -4.415 -10.417 7.100 1.00 64.53 C ATOM 1862 C GLU A 111 -3.059 -9.955 7.652 1.00 3.02 C ATOM 1863 O GLU A 111 -2.576 -10.475 8.657 1.00 63.13 O ATOM 1864 CB GLU A 111 -4.222 -11.695 6.302 1.00 35.40 C ATOM 1865 CG GLU A 111 -5.492 -12.262 5.719 1.00 55.41 C ATOM 1866 CD GLU A 111 -6.545 -12.489 6.762 1.00 42.51 C ATOM 1867 OE1 GLU A 111 -6.297 -13.238 7.726 1.00 63.23 O ATOM 1868 OE2 GLU A 111 -7.639 -11.898 6.648 1.00 30.44 O ATOM 0 H GLU A 111 -4.927 -9.561 5.273 1.00 51.13 H new ATOM 0 HA GLU A 111 -5.088 -10.606 7.936 1.00 64.53 H new ATOM 0 HB2 GLU A 111 -3.520 -11.501 5.492 1.00 35.40 H new ATOM 0 HB3 GLU A 111 -3.765 -12.446 6.946 1.00 35.40 H new ATOM 0 HG2 GLU A 111 -5.877 -11.581 4.960 1.00 55.41 H new ATOM 0 HG3 GLU A 111 -5.270 -13.205 5.219 1.00 55.41 H new ATOM 1875 N PHE A 112 -2.465 -8.962 7.006 1.00 50.32 N ATOM 1876 CA PHE A 112 -1.108 -8.574 7.313 1.00 25.33 C ATOM 1877 C PHE A 112 -1.078 -7.623 8.495 1.00 52.44 C ATOM 1878 O PHE A 112 -0.392 -7.870 9.476 1.00 23.13 O ATOM 1879 CB PHE A 112 -0.414 -7.942 6.073 1.00 43.52 C ATOM 1880 CG PHE A 112 1.079 -7.853 6.183 1.00 22.13 C ATOM 1881 CD1 PHE A 112 1.689 -6.863 6.930 1.00 31.24 C ATOM 1882 CD2 PHE A 112 1.873 -8.775 5.529 1.00 11.53 C ATOM 1883 CE1 PHE A 112 3.060 -6.799 7.020 1.00 63.35 C ATOM 1884 CE2 PHE A 112 3.241 -8.714 5.611 1.00 53.04 C ATOM 1885 CZ PHE A 112 3.839 -7.727 6.359 1.00 44.35 C ATOM 0 H PHE A 112 -2.906 -8.414 6.267 1.00 50.32 H new ATOM 0 HA PHE A 112 -0.552 -9.472 7.584 1.00 25.33 H new ATOM 0 HB2 PHE A 112 -0.668 -8.529 5.190 1.00 43.52 H new ATOM 0 HB3 PHE A 112 -0.816 -6.941 5.917 1.00 43.52 H new ATOM 0 HD1 PHE A 112 1.084 -6.133 7.448 1.00 31.24 H new ATOM 0 HD2 PHE A 112 1.410 -9.556 4.944 1.00 11.53 H new ATOM 0 HE1 PHE A 112 3.527 -6.023 7.608 1.00 63.35 H new ATOM 0 HE2 PHE A 112 3.847 -9.440 5.089 1.00 53.04 H new ATOM 0 HZ PHE A 112 4.916 -7.678 6.429 1.00 44.35 H new ATOM 1895 N LEU A 113 -1.832 -6.541 8.416 1.00 12.25 N ATOM 1896 CA LEU A 113 -1.821 -5.561 9.508 1.00 15.23 C ATOM 1897 C LEU A 113 -3.096 -5.678 10.278 1.00 53.32 C ATOM 1898 O LEU A 113 -3.351 -4.895 11.194 1.00 3.02 O ATOM 1899 CB LEU A 113 -1.716 -4.101 9.019 1.00 61.42 C ATOM 1900 CG LEU A 113 -0.646 -3.755 7.998 1.00 4.01 C ATOM 1901 CD1 LEU A 113 -1.076 -4.195 6.604 1.00 12.25 C ATOM 1902 CD2 LEU A 113 -0.341 -2.269 8.036 1.00 60.15 C ATOM 0 H LEU A 113 -2.446 -6.314 7.634 1.00 12.25 H new ATOM 0 HA LEU A 113 -0.942 -5.783 10.113 1.00 15.23 H new ATOM 0 HB2 LEU A 113 -2.681 -3.823 8.595 1.00 61.42 H new ATOM 0 HB3 LEU A 113 -1.557 -3.469 9.893 1.00 61.42 H new ATOM 0 HG LEU A 113 0.268 -4.293 8.251 1.00 4.01 H new ATOM 0 HD11 LEU A 113 -0.297 -3.939 5.885 1.00 12.25 H new ATOM 0 HD12 LEU A 113 -1.237 -5.273 6.596 1.00 12.25 H new ATOM 0 HD13 LEU A 113 -2.002 -3.688 6.332 1.00 12.25 H new ATOM 0 HD21 LEU A 113 0.428 -2.036 7.299 1.00 60.15 H new ATOM 0 HD22 LEU A 113 -1.246 -1.706 7.807 1.00 60.15 H new ATOM 0 HD23 LEU A 113 0.015 -1.996 9.029 1.00 60.15 H new ATOM 1914 N ARG A 114 -3.887 -6.671 9.904 1.00 2.25 N ATOM 1915 CA ARG A 114 -5.208 -6.882 10.451 1.00 60.20 C ATOM 1916 C ARG A 114 -6.086 -5.698 10.099 1.00 52.30 C ATOM 1917 O ARG A 114 -6.543 -4.953 10.953 1.00 62.25 O ATOM 1918 CB ARG A 114 -5.169 -7.186 11.950 1.00 22.41 C ATOM 1919 CG ARG A 114 -4.300 -8.380 12.260 1.00 15.35 C ATOM 1920 CD ARG A 114 -4.189 -8.639 13.734 1.00 11.01 C ATOM 1921 NE ARG A 114 -3.259 -9.733 14.005 1.00 15.41 N ATOM 1922 CZ ARG A 114 -2.937 -10.185 15.210 1.00 70.32 C ATOM 1923 NH1 ARG A 114 -3.497 -9.655 16.298 1.00 45.13 N ATOM 1924 NH2 ARG A 114 -2.047 -11.163 15.331 1.00 21.13 N ATOM 0 H ARG A 114 -3.621 -7.361 9.201 1.00 2.25 H new ATOM 0 HA ARG A 114 -5.648 -7.772 10.000 1.00 60.20 H new ATOM 0 HB2 ARG A 114 -4.794 -6.315 12.487 1.00 22.41 H new ATOM 0 HB3 ARG A 114 -6.181 -7.371 12.309 1.00 22.41 H new ATOM 0 HG2 ARG A 114 -4.711 -9.262 11.769 1.00 15.35 H new ATOM 0 HG3 ARG A 114 -3.305 -8.219 11.846 1.00 15.35 H new ATOM 0 HD2 ARG A 114 -3.851 -7.735 14.241 1.00 11.01 H new ATOM 0 HD3 ARG A 114 -5.171 -8.883 14.139 1.00 11.01 H new ATOM 0 HE ARG A 114 -2.822 -10.186 13.202 1.00 15.41 H new ATOM 0 HH11 ARG A 114 -4.176 -8.899 16.206 1.00 45.13 H new ATOM 0 HH12 ARG A 114 -3.247 -10.005 17.223 1.00 45.13 H new ATOM 0 HH21 ARG A 114 -1.614 -11.564 14.499 1.00 21.13 H new ATOM 0 HH22 ARG A 114 -1.797 -11.513 16.256 1.00 21.13 H new ATOM 1938 N LEU A 115 -6.250 -5.506 8.794 1.00 50.45 N ATOM 1939 CA LEU A 115 -7.029 -4.399 8.251 1.00 33.22 C ATOM 1940 C LEU A 115 -8.474 -4.838 8.071 1.00 60.34 C ATOM 1941 O LEU A 115 -9.291 -4.131 7.471 1.00 2.11 O ATOM 1942 CB LEU A 115 -6.463 -3.928 6.888 1.00 53.11 C ATOM 1943 CG LEU A 115 -4.998 -3.528 6.832 1.00 43.23 C ATOM 1944 CD1 LEU A 115 -4.627 -3.126 5.414 1.00 1.51 C ATOM 1945 CD2 LEU A 115 -4.698 -2.409 7.807 1.00 30.43 C ATOM 0 H LEU A 115 -5.846 -6.115 8.082 1.00 50.45 H new ATOM 0 HA LEU A 115 -6.972 -3.566 8.952 1.00 33.22 H new ATOM 0 HB2 LEU A 115 -6.620 -4.728 6.165 1.00 53.11 H new ATOM 0 HB3 LEU A 115 -7.056 -3.076 6.555 1.00 53.11 H new ATOM 0 HG LEU A 115 -4.393 -4.386 7.124 1.00 43.23 H new ATOM 0 HD11 LEU A 115 -3.576 -2.840 5.380 1.00 1.51 H new ATOM 0 HD12 LEU A 115 -4.796 -3.967 4.741 1.00 1.51 H new ATOM 0 HD13 LEU A 115 -5.243 -2.282 5.102 1.00 1.51 H new ATOM 0 HD21 LEU A 115 -3.642 -2.145 7.744 1.00 30.43 H new ATOM 0 HD22 LEU A 115 -5.305 -1.538 7.560 1.00 30.43 H new ATOM 0 HD23 LEU A 115 -4.930 -2.737 8.820 1.00 30.43 H new ATOM 1957 N ARG A 116 -8.774 -6.015 8.578 1.00 71.05 N ATOM 1958 CA ARG A 116 -10.111 -6.550 8.551 1.00 3.40 C ATOM 1959 C ARG A 116 -10.947 -5.734 9.511 1.00 14.15 C ATOM 1960 O ARG A 116 -10.517 -5.499 10.646 1.00 62.53 O ATOM 1961 CB ARG A 116 -10.096 -8.014 9.001 1.00 71.25 C ATOM 1962 CG ARG A 116 -11.455 -8.689 8.959 1.00 70.24 C ATOM 1963 CD ARG A 116 -11.396 -10.094 9.533 1.00 11.35 C ATOM 1964 NE ARG A 116 -10.445 -10.958 8.820 1.00 0.40 N ATOM 1965 CZ ARG A 116 -10.184 -12.229 9.150 1.00 23.00 C ATOM 1966 NH1 ARG A 116 -10.852 -12.825 10.137 1.00 10.24 N ATOM 1967 NH2 ARG A 116 -9.259 -12.899 8.500 1.00 32.33 N ATOM 0 H ARG A 116 -8.090 -6.628 9.022 1.00 71.05 H new ATOM 0 HA ARG A 116 -10.521 -6.502 7.542 1.00 3.40 H new ATOM 0 HB2 ARG A 116 -9.406 -8.571 8.367 1.00 71.25 H new ATOM 0 HB3 ARG A 116 -9.707 -8.066 10.018 1.00 71.25 H new ATOM 0 HG2 ARG A 116 -12.175 -8.095 9.522 1.00 70.24 H new ATOM 0 HG3 ARG A 116 -11.811 -8.730 7.929 1.00 70.24 H new ATOM 0 HD2 ARG A 116 -11.114 -10.041 10.585 1.00 11.35 H new ATOM 0 HD3 ARG A 116 -12.389 -10.541 9.491 1.00 11.35 H new ATOM 0 HE ARG A 116 -9.951 -10.563 8.020 1.00 0.40 H new ATOM 0 HH11 ARG A 116 -11.570 -12.312 10.649 1.00 10.24 H new ATOM 0 HH12 ARG A 116 -10.645 -13.794 10.380 1.00 10.24 H new ATOM 0 HH21 ARG A 116 -8.740 -12.451 7.745 1.00 32.33 H new ATOM 0 HH22 ARG A 116 -9.060 -13.867 8.751 1.00 32.33 H new ATOM 1981 N HIS A 117 -12.113 -5.255 9.041 1.00 64.34 N ATOM 1982 CA HIS A 117 -13.039 -4.441 9.860 1.00 34.25 C ATOM 1983 C HIS A 117 -12.470 -3.017 10.079 1.00 2.24 C ATOM 1984 O HIS A 117 -13.056 -2.198 10.773 1.00 52.53 O ATOM 1985 CB HIS A 117 -13.359 -5.185 11.209 1.00 42.05 C ATOM 1986 CG HIS A 117 -14.210 -4.445 12.198 1.00 24.11 C ATOM 1987 ND1 HIS A 117 -13.695 -3.834 13.321 1.00 1.50 N ATOM 1988 CD2 HIS A 117 -15.542 -4.247 12.247 1.00 13.24 C ATOM 1989 CE1 HIS A 117 -14.670 -3.294 14.011 1.00 2.33 C ATOM 1990 NE2 HIS A 117 -15.803 -3.529 13.384 1.00 71.53 N ATOM 0 H HIS A 117 -12.441 -5.418 8.089 1.00 64.34 H new ATOM 0 HA HIS A 117 -13.982 -4.317 9.328 1.00 34.25 H new ATOM 0 HB2 HIS A 117 -13.854 -6.126 10.970 1.00 42.05 H new ATOM 0 HB3 HIS A 117 -12.415 -5.436 11.692 1.00 42.05 H new ATOM 0 HD2 HIS A 117 -16.268 -4.590 11.525 1.00 13.24 H new ATOM 0 HE1 HIS A 117 -14.562 -2.749 14.937 1.00 2.33 H new ATOM 0 HE2 HIS A 117 -16.726 -3.226 13.694 1.00 71.53 H new ATOM 1999 N PHE A 118 -11.353 -2.731 9.433 1.00 41.45 N ATOM 2000 CA PHE A 118 -10.683 -1.460 9.589 1.00 3.44 C ATOM 2001 C PHE A 118 -11.211 -0.429 8.580 1.00 54.14 C ATOM 2002 O PHE A 118 -11.054 -0.607 7.363 1.00 4.41 O ATOM 2003 CB PHE A 118 -9.173 -1.651 9.411 1.00 5.14 C ATOM 2004 CG PHE A 118 -8.363 -0.403 9.586 1.00 33.33 C ATOM 2005 CD1 PHE A 118 -8.116 0.105 10.849 1.00 40.14 C ATOM 2006 CD2 PHE A 118 -7.842 0.263 8.488 1.00 45.31 C ATOM 2007 CE1 PHE A 118 -7.368 1.247 11.014 1.00 11.41 C ATOM 2008 CE2 PHE A 118 -7.093 1.405 8.648 1.00 14.35 C ATOM 2009 CZ PHE A 118 -6.855 1.899 9.912 1.00 34.45 C ATOM 0 H PHE A 118 -10.890 -3.373 8.789 1.00 41.45 H new ATOM 0 HA PHE A 118 -10.886 -1.081 10.591 1.00 3.44 H new ATOM 0 HB2 PHE A 118 -8.827 -2.397 10.127 1.00 5.14 H new ATOM 0 HB3 PHE A 118 -8.986 -2.054 8.416 1.00 5.14 H new ATOM 0 HD1 PHE A 118 -8.515 -0.401 11.715 1.00 40.14 H new ATOM 0 HD2 PHE A 118 -8.026 -0.119 7.495 1.00 45.31 H new ATOM 0 HE1 PHE A 118 -7.182 1.633 12.005 1.00 11.41 H new ATOM 0 HE2 PHE A 118 -6.692 1.914 7.784 1.00 14.35 H new ATOM 0 HZ PHE A 118 -6.267 2.796 10.040 1.00 34.45 H new ATOM 2019 N PRO A 119 -11.866 0.644 9.054 1.00 52.22 N ATOM 2020 CA PRO A 119 -12.358 1.688 8.191 1.00 71.21 C ATOM 2021 C PRO A 119 -11.265 2.721 7.858 1.00 62.30 C ATOM 2022 O PRO A 119 -10.665 2.672 6.773 1.00 2.44 O ATOM 2023 CB PRO A 119 -13.510 2.332 8.987 1.00 41.22 C ATOM 2024 CG PRO A 119 -13.457 1.728 10.369 1.00 12.43 C ATOM 2025 CD PRO A 119 -12.198 0.905 10.457 1.00 11.24 C ATOM 0 HA PRO A 119 -12.684 1.298 7.227 1.00 71.21 H new ATOM 0 HB2 PRO A 119 -13.395 3.415 9.031 1.00 41.22 H new ATOM 0 HB3 PRO A 119 -14.470 2.133 8.512 1.00 41.22 H new ATOM 0 HG2 PRO A 119 -13.458 2.509 11.129 1.00 12.43 H new ATOM 0 HG3 PRO A 119 -14.334 1.107 10.550 1.00 12.43 H new ATOM 0 HD2 PRO A 119 -11.399 1.445 10.965 1.00 11.24 H new ATOM 0 HD3 PRO A 119 -12.360 -0.020 11.011 1.00 11.24 H new ATOM 2033 N THR A 120 -10.984 3.608 8.808 1.00 31.45 N ATOM 2034 CA THR A 120 -9.989 4.657 8.658 1.00 42.31 C ATOM 2035 C THR A 120 -9.495 5.051 10.047 1.00 0.12 C ATOM 2036 O THR A 120 -10.310 5.225 10.961 1.00 32.20 O ATOM 2037 CB THR A 120 -10.629 5.939 8.028 1.00 21.51 C ATOM 2038 OG1 THR A 120 -11.303 5.621 6.812 1.00 74.32 O ATOM 2039 CG2 THR A 120 -9.568 6.996 7.742 1.00 61.11 C ATOM 0 H THR A 120 -11.450 3.616 9.716 1.00 31.45 H new ATOM 0 HA THR A 120 -9.186 4.286 8.021 1.00 42.31 H new ATOM 0 HB THR A 120 -11.344 6.334 8.750 1.00 21.51 H new ATOM 0 HG1 THR A 120 -10.712 5.806 6.052 1.00 74.32 H new ATOM 0 HG21 THR A 120 -10.040 7.876 7.305 1.00 61.11 H new ATOM 0 HG22 THR A 120 -9.072 7.274 8.672 1.00 61.11 H new ATOM 0 HG23 THR A 120 -8.833 6.594 7.045 1.00 61.11 H new ATOM 2047 N ASP A 121 -8.200 5.168 10.232 1.00 2.40 N ATOM 2048 CA ASP A 121 -7.689 5.674 11.488 1.00 51.34 C ATOM 2049 C ASP A 121 -7.441 7.169 11.305 1.00 61.31 C ATOM 2050 O ASP A 121 -7.008 7.576 10.223 1.00 42.23 O ATOM 2051 CB ASP A 121 -6.408 4.931 11.951 1.00 24.32 C ATOM 2052 CG ASP A 121 -5.180 5.178 11.097 1.00 15.12 C ATOM 2053 OD1 ASP A 121 -5.052 4.585 10.010 1.00 31.42 O ATOM 2054 OD2 ASP A 121 -4.314 5.972 11.526 1.00 1.31 O ATOM 0 H ASP A 121 -7.490 4.924 9.542 1.00 2.40 H new ATOM 0 HA ASP A 121 -8.418 5.501 12.279 1.00 51.34 H new ATOM 0 HB2 ASP A 121 -6.185 5.227 12.976 1.00 24.32 H new ATOM 0 HB3 ASP A 121 -6.612 3.860 11.966 1.00 24.32 H new ATOM 2059 N PRO A 122 -7.777 8.008 12.342 1.00 35.51 N ATOM 2060 CA PRO A 122 -7.679 9.494 12.289 1.00 22.14 C ATOM 2061 C PRO A 122 -6.476 10.004 11.498 1.00 50.20 C ATOM 2062 O PRO A 122 -5.327 9.922 11.953 1.00 12.53 O ATOM 2063 CB PRO A 122 -7.564 9.876 13.759 1.00 64.14 C ATOM 2064 CG PRO A 122 -8.394 8.852 14.461 1.00 4.11 C ATOM 2065 CD PRO A 122 -8.272 7.567 13.663 1.00 20.14 C ATOM 0 HA PRO A 122 -8.532 9.935 11.773 1.00 22.14 H new ATOM 0 HB2 PRO A 122 -6.528 9.852 14.098 1.00 64.14 H new ATOM 0 HB3 PRO A 122 -7.936 10.885 13.940 1.00 64.14 H new ATOM 0 HG2 PRO A 122 -8.046 8.707 15.484 1.00 4.11 H new ATOM 0 HG3 PRO A 122 -9.434 9.172 14.521 1.00 4.11 H new ATOM 0 HD2 PRO A 122 -7.581 6.869 14.135 1.00 20.14 H new ATOM 0 HD3 PRO A 122 -9.232 7.057 13.579 1.00 20.14 H new ATOM 2073 N LYS A 123 -6.745 10.500 10.314 1.00 72.53 N ATOM 2074 CA LYS A 123 -5.713 10.904 9.411 1.00 61.50 C ATOM 2075 C LYS A 123 -5.394 12.377 9.547 1.00 4.02 C ATOM 2076 O LYS A 123 -6.108 13.241 9.019 1.00 10.05 O ATOM 2077 CB LYS A 123 -6.113 10.552 7.979 1.00 4.42 C ATOM 2078 CG LYS A 123 -5.086 10.895 6.922 1.00 41.35 C ATOM 2079 CD LYS A 123 -5.585 10.486 5.556 1.00 62.03 C ATOM 2080 CE LYS A 123 -4.587 10.815 4.467 1.00 3.54 C ATOM 2081 NZ LYS A 123 -4.324 12.261 4.374 1.00 74.43 N ATOM 0 H LYS A 123 -7.691 10.632 9.956 1.00 72.53 H new ATOM 0 HA LYS A 123 -4.802 10.362 9.665 1.00 61.50 H new ATOM 0 HB2 LYS A 123 -6.320 9.483 7.929 1.00 4.42 H new ATOM 0 HB3 LYS A 123 -7.043 11.068 7.741 1.00 4.42 H new ATOM 0 HG2 LYS A 123 -4.882 11.966 6.937 1.00 41.35 H new ATOM 0 HG3 LYS A 123 -4.146 10.388 7.140 1.00 41.35 H new ATOM 0 HD2 LYS A 123 -5.789 9.415 5.550 1.00 62.03 H new ATOM 0 HD3 LYS A 123 -6.528 10.991 5.348 1.00 62.03 H new ATOM 0 HE2 LYS A 123 -3.652 10.289 4.662 1.00 3.54 H new ATOM 0 HE3 LYS A 123 -4.963 10.453 3.510 1.00 3.54 H new ATOM 0 HZ1 LYS A 123 -3.758 12.457 3.524 1.00 74.43 H new ATOM 0 HZ2 LYS A 123 -5.226 12.775 4.315 1.00 74.43 H new ATOM 0 HZ3 LYS A 123 -3.802 12.574 5.217 1.00 74.43 H new ATOM 2095 N ALA A 124 -4.351 12.663 10.277 1.00 13.32 N ATOM 2096 CA ALA A 124 -3.886 14.009 10.439 1.00 3.21 C ATOM 2097 C ALA A 124 -2.762 14.258 9.459 1.00 63.45 C ATOM 2098 O ALA A 124 -1.663 13.717 9.603 1.00 3.01 O ATOM 2099 CB ALA A 124 -3.419 14.255 11.868 1.00 0.25 C ATOM 0 H ALA A 124 -3.799 11.966 10.777 1.00 13.32 H new ATOM 0 HA ALA A 124 -4.705 14.701 10.240 1.00 3.21 H new ATOM 0 HB1 ALA A 124 -3.071 15.283 11.965 1.00 0.25 H new ATOM 0 HB2 ALA A 124 -4.248 14.086 12.556 1.00 0.25 H new ATOM 0 HB3 ALA A 124 -2.604 13.572 12.107 1.00 0.25 H new ATOM 2105 N SER A 125 -3.045 15.017 8.445 1.00 44.23 N ATOM 2106 CA SER A 125 -2.070 15.323 7.441 1.00 43.11 C ATOM 2107 C SER A 125 -1.938 16.828 7.320 1.00 55.03 C ATOM 2108 O SER A 125 -2.926 17.559 7.501 1.00 71.45 O ATOM 2109 CB SER A 125 -2.509 14.711 6.114 1.00 64.32 C ATOM 2110 OG SER A 125 -2.711 13.304 6.251 1.00 10.21 O ATOM 0 H SER A 125 -3.959 15.443 8.289 1.00 44.23 H new ATOM 0 HA SER A 125 -1.100 14.907 7.715 1.00 43.11 H new ATOM 0 HB2 SER A 125 -3.431 15.185 5.776 1.00 64.32 H new ATOM 0 HB3 SER A 125 -1.754 14.903 5.352 1.00 64.32 H new ATOM 0 HG SER A 125 -2.110 12.826 5.641 1.00 10.21 H new ATOM 2116 N ASN A 126 -0.746 17.294 7.053 1.00 33.52 N ATOM 2117 CA ASN A 126 -0.496 18.710 6.916 1.00 11.21 C ATOM 2118 C ASN A 126 0.679 18.878 5.947 1.00 43.34 C ATOM 2119 O ASN A 126 1.276 17.865 5.544 1.00 62.12 O ATOM 2120 CB ASN A 126 -0.182 19.312 8.306 1.00 44.54 C ATOM 2121 CG ASN A 126 -0.156 20.828 8.320 1.00 40.32 C ATOM 2122 OD1 ASN A 126 0.873 21.446 8.098 1.00 23.11 O ATOM 2123 ND2 ASN A 126 -1.284 21.428 8.591 1.00 62.43 N ATOM 0 H ASN A 126 0.078 16.707 6.924 1.00 33.52 H new ATOM 0 HA ASN A 126 -1.366 19.236 6.522 1.00 11.21 H new ATOM 0 HB2 ASN A 126 -0.928 18.963 9.020 1.00 44.54 H new ATOM 0 HB3 ASN A 126 0.784 18.937 8.645 1.00 44.54 H new ATOM 0 HD21 ASN A 126 -1.325 22.447 8.622 1.00 62.43 H new ATOM 0 HD22 ASN A 126 -2.124 20.878 8.771 1.00 62.43 H new ATOM 2130 N TRP A 127 1.006 20.122 5.578 1.00 60.10 N ATOM 2131 CA TRP A 127 2.069 20.431 4.609 1.00 3.55 C ATOM 2132 C TRP A 127 1.687 19.917 3.224 1.00 12.34 C ATOM 2133 O TRP A 127 1.897 18.739 2.903 1.00 3.32 O ATOM 2134 CB TRP A 127 3.449 19.851 5.016 1.00 43.43 C ATOM 2135 CG TRP A 127 4.006 20.333 6.323 1.00 14.24 C ATOM 2136 CD1 TRP A 127 3.740 19.835 7.568 1.00 13.51 C ATOM 2137 CD2 TRP A 127 4.954 21.385 6.510 1.00 72.10 C ATOM 2138 NE1 TRP A 127 4.451 20.523 8.514 1.00 73.21 N ATOM 2139 CE2 TRP A 127 5.206 21.481 7.892 1.00 13.05 C ATOM 2140 CE3 TRP A 127 5.611 22.259 5.643 1.00 70.15 C ATOM 2141 CZ2 TRP A 127 6.089 22.414 8.424 1.00 41.21 C ATOM 2142 CZ3 TRP A 127 6.486 23.185 6.170 1.00 22.25 C ATOM 2143 CH2 TRP A 127 6.720 23.256 7.549 1.00 73.50 C ATOM 0 H TRP A 127 0.538 20.950 5.945 1.00 60.10 H new ATOM 0 HA TRP A 127 2.167 21.516 4.593 1.00 3.55 H new ATOM 0 HB2 TRP A 127 3.366 18.765 5.058 1.00 43.43 H new ATOM 0 HB3 TRP A 127 4.166 20.086 4.229 1.00 43.43 H new ATOM 0 HD1 TRP A 127 3.066 19.017 7.775 1.00 13.51 H new ATOM 0 HE1 TRP A 127 4.423 20.350 9.519 1.00 73.21 H new ATOM 0 HE3 TRP A 127 5.437 22.211 4.578 1.00 70.15 H new ATOM 0 HZ2 TRP A 127 6.270 22.472 9.487 1.00 41.21 H new ATOM 0 HZ3 TRP A 127 6.999 23.867 5.508 1.00 22.25 H new ATOM 0 HH2 TRP A 127 7.413 23.991 7.930 1.00 73.50 H new ATOM 2154 N GLY A 128 1.091 20.762 2.434 1.00 20.22 N ATOM 2155 CA GLY A 128 0.692 20.369 1.119 1.00 32.42 C ATOM 2156 C GLY A 128 -0.126 21.433 0.474 1.00 1.12 C ATOM 2157 O GLY A 128 0.454 22.315 -0.189 1.00 37.50 O ATOM 2158 OXT GLY A 128 -1.357 21.433 0.634 1.00 37.50 O ATOM 0 H GLY A 128 0.872 21.727 2.680 1.00 20.22 H new ATOM 0 HA2 GLY A 128 1.574 20.164 0.512 1.00 32.42 H new ATOM 0 HA3 GLY A 128 0.118 19.444 1.170 1.00 32.42 H new TER 2162 GLY A 128