USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 987 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 110 GLN : amide:sc= -0.0337 K(o=0.45,f=-1.1) USER MOD Set 1.2: A 112 GLN : amide:sc= 0.479 K(o=0.45,f=-6.1!) USER MOD Set 2.1: A 74 GLN : amide:sc= 0.741 K(o=-1.7,f=-8.6!) USER MOD Set 2.2: A 77 MET CE :methyl -146:sc= -2.25! (180deg=-3.36!) USER MOD Set 2.3: A 125 SER OG : rot 180:sc= -0.205 USER MOD Set 3.1: A 51 GLN : amide:sc= -0.0894 K(o=0.85,f=-5.3!) USER MOD Set 3.2: A 82 LYS NZ :NH3+ 167:sc= 0.349 (180deg=-0.739) USER MOD Set 3.3: A 99 THR OG1 : rot -27:sc= 0.59 USER MOD Set 4.1: A 40 SER OG : rot 150:sc= 0.51 USER MOD Set 4.2: A 45 SER OG : rot 147:sc= 0.588 USER MOD Set 4.3: A 47 HIS : no HE2:sc= -0.0642 K(o=1,f=-1.7!) USER MOD Set 5.1: A 11 MET CE :methyl -151:sc= -0.402 (180deg=-0.525) USER MOD Set 5.2: A 16 ASN : amide:sc= -1.7 K(o=-2.1,f=-4.1!) USER MOD Set 6.1: A 10 HIS : no HD1:sc= 0.601 K(o=1.3,f=-2) USER MOD Set 6.2: A 122 THR OG1 : rot 106:sc= 0.702 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.179 (180deg=-0.384) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc=-0.00979 X(o=-0.0098,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.291 K(o=-0.29,f=-0.99) USER MOD Single : A 8 HIS : no HE2:sc= -0.482 K(o=-0.48,f=-2.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -3:sc= 0.279 USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.651 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 85:sc= 0.222 USER MOD Single : A 29 SER OG : rot 6:sc= 0.549 USER MOD Single : A 33 THR OG1 : rot 101:sc= -0.747 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.272 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.124 K(o=-0.12,f=-2.2!) USER MOD Single : A 53 GLN : amide:sc= 0.283 K(o=0.28,f=-0.33) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -153:sc= 1.55 (180deg=0.854) USER MOD Single : A 62 TYR OH : rot 151:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.638 X(o=-0.64,f=-1.1) USER MOD Single : A 66 ASN : amide:sc= -2.33! K(o=-2.3!,f=-1.2) USER MOD Single : A 67 ASN : amide:sc= -0.107 K(o=-0.11,f=-6.8!) USER MOD Single : A 68 MET CE :methyl -120:sc= -0.316 (180deg=-3.72) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.171 X(o=-0.17,f=-0.43) USER MOD Single : A 78 TYR OH : rot -179:sc= 0.512 USER MOD Single : A 85 HIS : no HD1:sc= 0.282 K(o=0.28,f=-1.5) USER MOD Single : A 88 GLN : amide:sc= 0.293 X(o=0.29,f=-0.03) USER MOD Single : A 93 LYS NZ :NH3+ -109:sc= 1.29 (180deg=0.381) USER MOD Single : A 102 GLN : amide:sc= -0.931 X(o=-0.93,f=-0.47) USER MOD Single : A 103 HIS : no HD1:sc= -2.71 K(o=-2.7,f=-1.5) USER MOD Single : A 105 CYS SG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= -0.796 K(o=-0.8,f=-0.1) USER MOD Single : A 118 LYS NZ :NH3+ 170:sc= 0.374 (180deg=0.34) USER MOD Single : A 120 LYS NZ :NH3+ 143:sc= 0.837 (180deg=-0.0851) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.974 -19.183 24.848 1.00 44.13 N ATOM 2 CA MET A 1 -18.480 -20.007 23.727 1.00 53.34 C ATOM 3 C MET A 1 -17.318 -20.684 22.964 1.00 54.12 C ATOM 4 O MET A 1 -17.555 -21.449 22.022 1.00 61.33 O ATOM 5 CB MET A 1 -19.342 -19.130 22.774 1.00 52.42 C ATOM 6 CG MET A 1 -20.582 -18.504 23.435 1.00 74.01 C ATOM 7 SD MET A 1 -21.502 -17.429 22.306 1.00 54.14 S ATOM 8 CE MET A 1 -22.827 -16.837 23.359 1.00 23.00 C ATOM 0 H1 MET A 1 -18.771 -18.879 25.443 1.00 44.13 H new ATOM 0 H2 MET A 1 -17.310 -19.744 25.419 1.00 44.13 H new ATOM 0 H3 MET A 1 -17.485 -18.346 24.471 1.00 44.13 H new ATOM 0 HA MET A 1 -19.107 -20.801 24.133 1.00 53.34 H new ATOM 0 HB2 MET A 1 -18.718 -18.332 22.371 1.00 52.42 H new ATOM 0 HB3 MET A 1 -19.664 -19.740 21.930 1.00 52.42 H new ATOM 0 HG2 MET A 1 -21.239 -19.297 23.792 1.00 74.01 H new ATOM 0 HG3 MET A 1 -20.273 -17.929 24.308 1.00 74.01 H new ATOM 0 HE1 MET A 1 -23.470 -16.165 22.791 1.00 23.00 H new ATOM 0 HE2 MET A 1 -23.413 -17.683 23.717 1.00 23.00 H new ATOM 0 HE3 MET A 1 -22.404 -16.303 24.210 1.00 23.00 H new ATOM 20 N GLY A 2 -16.062 -20.399 23.376 1.00 73.33 N ATOM 21 CA GLY A 2 -14.864 -20.989 22.761 1.00 12.14 C ATOM 22 C GLY A 2 -14.064 -19.960 21.970 1.00 22.33 C ATOM 23 O GLY A 2 -14.640 -19.176 21.209 1.00 54.11 O ATOM 0 H GLY A 2 -15.857 -19.756 24.141 1.00 73.33 H new ATOM 0 HA2 GLY A 2 -14.233 -21.420 23.538 1.00 12.14 H new ATOM 0 HA3 GLY A 2 -15.159 -21.804 22.101 1.00 12.14 H new ATOM 27 N HIS A 3 -12.734 -19.956 22.158 1.00 73.03 N ATOM 28 CA HIS A 3 -11.819 -19.016 21.479 1.00 22.25 C ATOM 29 C HIS A 3 -11.205 -19.680 20.243 1.00 74.04 C ATOM 30 O HIS A 3 -11.004 -20.899 20.219 1.00 63.22 O ATOM 31 CB HIS A 3 -10.674 -18.565 22.427 1.00 65.21 C ATOM 32 CG HIS A 3 -11.120 -17.835 23.661 1.00 54.25 C ATOM 33 ND1 HIS A 3 -10.415 -17.874 24.841 1.00 11.42 N ATOM 34 CD2 HIS A 3 -12.180 -17.024 23.889 1.00 52.25 C ATOM 35 CE1 HIS A 3 -11.020 -17.127 25.736 1.00 31.51 C ATOM 36 NE2 HIS A 3 -12.093 -16.597 25.185 1.00 53.02 N ATOM 0 H HIS A 3 -12.259 -20.605 22.786 1.00 73.03 H new ATOM 0 HA HIS A 3 -12.400 -18.142 21.184 1.00 22.25 H new ATOM 0 HB2 HIS A 3 -10.106 -19.445 22.729 1.00 65.21 H new ATOM 0 HB3 HIS A 3 -9.993 -17.922 21.869 1.00 65.21 H new ATOM 0 HD2 HIS A 3 -12.951 -16.763 23.179 1.00 52.25 H new ATOM 0 HE1 HIS A 3 -10.693 -16.973 26.754 1.00 31.51 H new ATOM 0 HE2 HIS A 3 -12.751 -15.971 25.649 1.00 53.02 H new ATOM 45 N HIS A 4 -10.911 -18.863 19.226 1.00 50.22 N ATOM 46 CA HIS A 4 -10.093 -19.278 18.083 1.00 64.15 C ATOM 47 C HIS A 4 -8.618 -19.236 18.510 1.00 30.12 C ATOM 48 O HIS A 4 -8.116 -18.185 18.921 1.00 63.03 O ATOM 49 CB HIS A 4 -10.364 -18.376 16.849 1.00 42.11 C ATOM 50 CG HIS A 4 -11.775 -18.489 16.334 1.00 63.51 C ATOM 51 ND1 HIS A 4 -12.535 -17.416 15.918 1.00 22.11 N ATOM 52 CD2 HIS A 4 -12.561 -19.580 16.163 1.00 55.42 C ATOM 53 CE1 HIS A 4 -13.715 -17.848 15.522 1.00 15.10 C ATOM 54 NE2 HIS A 4 -13.753 -19.154 15.661 1.00 60.34 N ATOM 0 H HIS A 4 -11.233 -17.897 19.173 1.00 50.22 H new ATOM 0 HA HIS A 4 -10.352 -20.294 17.783 1.00 64.15 H new ATOM 0 HB2 HIS A 4 -10.162 -17.338 17.114 1.00 42.11 H new ATOM 0 HB3 HIS A 4 -9.670 -18.643 16.052 1.00 42.11 H new ATOM 0 HD2 HIS A 4 -12.291 -20.602 16.385 1.00 55.42 H new ATOM 0 HE1 HIS A 4 -14.518 -17.231 15.146 1.00 15.10 H new ATOM 0 HE2 HIS A 4 -14.547 -19.752 15.430 1.00 60.34 H new ATOM 63 N HIS A 5 -7.946 -20.398 18.409 1.00 61.24 N ATOM 64 CA HIS A 5 -6.594 -20.628 18.962 1.00 32.42 C ATOM 65 C HIS A 5 -5.496 -19.866 18.179 1.00 72.51 C ATOM 66 O HIS A 5 -4.317 -19.930 18.554 1.00 44.42 O ATOM 67 CB HIS A 5 -6.292 -22.153 19.001 1.00 51.14 C ATOM 68 CG HIS A 5 -7.196 -22.956 19.912 1.00 10.33 C ATOM 69 ND1 HIS A 5 -6.727 -23.651 21.004 1.00 74.31 N ATOM 70 CD2 HIS A 5 -8.535 -23.184 19.880 1.00 50.42 C ATOM 71 CE1 HIS A 5 -7.727 -24.269 21.596 1.00 23.22 C ATOM 72 NE2 HIS A 5 -8.833 -24.000 20.934 1.00 21.24 N ATOM 0 H HIS A 5 -8.330 -21.216 17.935 1.00 61.24 H new ATOM 0 HA HIS A 5 -6.581 -20.232 19.977 1.00 32.42 H new ATOM 0 HB2 HIS A 5 -6.373 -22.551 17.990 1.00 51.14 H new ATOM 0 HB3 HIS A 5 -5.259 -22.297 19.319 1.00 51.14 H new ATOM 0 HD2 HIS A 5 -9.234 -22.793 19.156 1.00 50.42 H new ATOM 0 HE1 HIS A 5 -7.653 -24.891 22.476 1.00 23.22 H new ATOM 0 HE2 HIS A 5 -9.763 -24.346 21.170 1.00 21.24 H new ATOM 81 N HIS A 6 -5.899 -19.171 17.083 1.00 75.20 N ATOM 82 CA HIS A 6 -5.038 -18.241 16.305 1.00 35.14 C ATOM 83 C HIS A 6 -3.918 -18.974 15.531 1.00 33.33 C ATOM 84 O HIS A 6 -3.015 -18.326 14.982 1.00 51.24 O ATOM 85 CB HIS A 6 -4.434 -17.117 17.204 1.00 54.14 C ATOM 86 CG HIS A 6 -5.450 -16.216 17.861 1.00 22.24 C ATOM 87 ND1 HIS A 6 -6.235 -15.331 17.154 1.00 71.02 N ATOM 88 CD2 HIS A 6 -5.792 -16.054 19.166 1.00 2.25 C ATOM 89 CE1 HIS A 6 -7.007 -14.668 17.992 1.00 14.43 C ATOM 90 NE2 HIS A 6 -6.753 -15.085 19.218 1.00 44.35 N ATOM 0 H HIS A 6 -6.845 -19.242 16.710 1.00 75.20 H new ATOM 0 HA HIS A 6 -5.693 -17.774 15.569 1.00 35.14 H new ATOM 0 HB2 HIS A 6 -3.825 -17.580 17.980 1.00 54.14 H new ATOM 0 HB3 HIS A 6 -3.766 -16.506 16.597 1.00 54.14 H new ATOM 0 HD2 HIS A 6 -5.380 -16.592 20.007 1.00 2.25 H new ATOM 0 HE1 HIS A 6 -7.727 -13.910 17.721 1.00 14.43 H new ATOM 0 HE2 HIS A 6 -7.202 -14.740 20.067 1.00 44.35 H new ATOM 99 N HIS A 7 -4.007 -20.310 15.464 1.00 42.15 N ATOM 100 CA HIS A 7 -2.952 -21.158 14.889 1.00 52.31 C ATOM 101 C HIS A 7 -3.165 -21.374 13.380 1.00 3.32 C ATOM 102 O HIS A 7 -4.134 -22.012 12.950 1.00 3.11 O ATOM 103 CB HIS A 7 -2.869 -22.514 15.644 1.00 21.45 C ATOM 104 CG HIS A 7 -2.406 -22.372 17.067 1.00 42.44 C ATOM 105 ND1 HIS A 7 -3.078 -22.892 18.148 1.00 21.22 N ATOM 106 CD2 HIS A 7 -1.318 -21.751 17.573 1.00 25.24 C ATOM 107 CE1 HIS A 7 -2.426 -22.587 19.250 1.00 20.40 C ATOM 108 NE2 HIS A 7 -1.354 -21.896 18.931 1.00 72.43 N ATOM 0 H HIS A 7 -4.812 -20.834 15.807 1.00 42.15 H new ATOM 0 HA HIS A 7 -2.000 -20.641 15.012 1.00 52.31 H new ATOM 0 HB2 HIS A 7 -3.850 -22.989 15.634 1.00 21.45 H new ATOM 0 HB3 HIS A 7 -2.188 -23.178 15.112 1.00 21.45 H new ATOM 0 HD2 HIS A 7 -0.558 -21.234 17.007 1.00 25.24 H new ATOM 0 HE1 HIS A 7 -2.723 -22.860 20.252 1.00 20.40 H new ATOM 0 HE2 HIS A 7 -0.665 -21.530 19.587 1.00 72.43 H new ATOM 117 N HIS A 8 -2.257 -20.787 12.599 1.00 33.33 N ATOM 118 CA HIS A 8 -2.089 -21.055 11.169 1.00 30.13 C ATOM 119 C HIS A 8 -0.583 -21.212 10.890 1.00 73.23 C ATOM 120 O HIS A 8 0.244 -20.662 11.632 1.00 44.24 O ATOM 121 CB HIS A 8 -2.727 -19.927 10.310 1.00 64.23 C ATOM 122 CG HIS A 8 -2.236 -18.532 10.614 1.00 70.35 C ATOM 123 ND1 HIS A 8 -2.944 -17.648 11.395 1.00 3.44 N ATOM 124 CD2 HIS A 8 -1.138 -17.855 10.196 1.00 32.12 C ATOM 125 CE1 HIS A 8 -2.307 -16.500 11.438 1.00 42.11 C ATOM 126 NE2 HIS A 8 -1.209 -16.597 10.723 1.00 54.13 N ATOM 0 H HIS A 8 -1.599 -20.092 12.953 1.00 33.33 H new ATOM 0 HA HIS A 8 -2.605 -21.974 10.892 1.00 30.13 H new ATOM 0 HB2 HIS A 8 -2.536 -20.141 9.258 1.00 64.23 H new ATOM 0 HB3 HIS A 8 -3.808 -19.953 10.450 1.00 64.23 H new ATOM 0 HD1 HIS A 8 -3.825 -17.852 11.867 1.00 3.44 H new ATOM 0 HD2 HIS A 8 -0.352 -18.240 9.563 1.00 32.12 H new ATOM 0 HE1 HIS A 8 -2.633 -15.620 11.973 1.00 42.11 H new ATOM 135 N SER A 9 -0.233 -21.974 9.845 1.00 72.24 N ATOM 136 CA SER A 9 1.166 -22.306 9.536 1.00 53.14 C ATOM 137 C SER A 9 1.966 -21.038 9.137 1.00 33.04 C ATOM 138 O SER A 9 1.623 -20.354 8.163 1.00 5.42 O ATOM 139 CB SER A 9 1.231 -23.378 8.423 1.00 51.14 C ATOM 140 OG SER A 9 2.559 -23.830 8.221 1.00 42.43 O ATOM 0 H SER A 9 -0.907 -22.376 9.193 1.00 72.24 H new ATOM 0 HA SER A 9 1.627 -22.716 10.434 1.00 53.14 H new ATOM 0 HB2 SER A 9 0.594 -24.221 8.690 1.00 51.14 H new ATOM 0 HB3 SER A 9 0.840 -22.965 7.493 1.00 51.14 H new ATOM 0 HG SER A 9 2.570 -24.508 7.513 1.00 42.43 H new ATOM 146 N HIS A 10 2.999 -20.717 9.941 1.00 35.03 N ATOM 147 CA HIS A 10 3.934 -19.600 9.675 1.00 42.32 C ATOM 148 C HIS A 10 5.341 -20.182 9.472 1.00 51.23 C ATOM 149 O HIS A 10 5.731 -21.110 10.185 1.00 73.13 O ATOM 150 CB HIS A 10 3.908 -18.562 10.834 1.00 13.34 C ATOM 151 CG HIS A 10 4.474 -19.030 12.159 1.00 71.33 C ATOM 152 ND1 HIS A 10 5.733 -18.678 12.600 1.00 5.32 N ATOM 153 CD2 HIS A 10 3.949 -19.812 13.135 1.00 63.43 C ATOM 154 CE1 HIS A 10 5.955 -19.221 13.779 1.00 22.53 C ATOM 155 NE2 HIS A 10 4.890 -19.915 14.126 1.00 12.24 N ATOM 0 H HIS A 10 3.211 -21.227 10.799 1.00 35.03 H new ATOM 0 HA HIS A 10 3.629 -19.069 8.773 1.00 42.32 H new ATOM 0 HB2 HIS A 10 4.463 -17.679 10.517 1.00 13.34 H new ATOM 0 HB3 HIS A 10 2.876 -18.250 10.993 1.00 13.34 H new ATOM 0 HD2 HIS A 10 2.970 -20.269 13.132 1.00 63.43 H new ATOM 0 HE1 HIS A 10 6.857 -19.115 14.363 1.00 22.53 H new ATOM 0 HE2 HIS A 10 4.783 -20.443 14.992 1.00 12.24 H new ATOM 164 N MET A 11 6.103 -19.640 8.510 1.00 22.10 N ATOM 165 CA MET A 11 7.382 -20.249 8.075 1.00 32.33 C ATOM 166 C MET A 11 8.367 -19.189 7.545 1.00 4.23 C ATOM 167 O MET A 11 8.065 -17.993 7.539 1.00 71.42 O ATOM 168 CB MET A 11 7.102 -21.334 6.989 1.00 62.11 C ATOM 169 CG MET A 11 6.360 -20.824 5.741 1.00 65.00 C ATOM 170 SD MET A 11 6.179 -22.076 4.449 1.00 75.31 S ATOM 171 CE MET A 11 7.888 -22.402 4.005 1.00 54.44 C ATOM 0 H MET A 11 5.861 -18.782 8.015 1.00 22.10 H new ATOM 0 HA MET A 11 7.850 -20.717 8.941 1.00 32.33 H new ATOM 0 HB2 MET A 11 8.052 -21.769 6.677 1.00 62.11 H new ATOM 0 HB3 MET A 11 6.517 -22.136 7.439 1.00 62.11 H new ATOM 0 HG2 MET A 11 5.372 -20.471 6.035 1.00 65.00 H new ATOM 0 HG3 MET A 11 6.897 -19.967 5.333 1.00 65.00 H new ATOM 0 HE1 MET A 11 7.940 -22.711 2.961 1.00 54.44 H new ATOM 0 HE2 MET A 11 8.479 -21.497 4.146 1.00 54.44 H new ATOM 0 HE3 MET A 11 8.283 -23.196 4.638 1.00 54.44 H new ATOM 181 N ALA A 12 9.552 -19.665 7.128 1.00 11.21 N ATOM 182 CA ALA A 12 10.608 -18.850 6.509 1.00 75.15 C ATOM 183 C ALA A 12 11.417 -19.758 5.565 1.00 23.52 C ATOM 184 O ALA A 12 12.258 -20.544 6.021 1.00 4.31 O ATOM 185 CB ALA A 12 11.509 -18.196 7.584 1.00 52.20 C ATOM 0 H ALA A 12 9.807 -20.649 7.214 1.00 11.21 H new ATOM 0 HA ALA A 12 10.166 -18.032 5.940 1.00 75.15 H new ATOM 0 HB1 ALA A 12 12.281 -17.599 7.098 1.00 52.20 H new ATOM 0 HB2 ALA A 12 10.904 -17.554 8.224 1.00 52.20 H new ATOM 0 HB3 ALA A 12 11.978 -18.973 8.188 1.00 52.20 H new ATOM 191 N GLY A 13 11.119 -19.688 4.253 1.00 71.20 N ATOM 192 CA GLY A 13 11.724 -20.597 3.267 1.00 13.41 C ATOM 193 C GLY A 13 11.478 -20.161 1.821 1.00 61.34 C ATOM 194 O GLY A 13 11.692 -18.981 1.516 1.00 21.41 O ATOM 0 H GLY A 13 10.465 -19.013 3.855 1.00 71.20 H new ATOM 0 HA2 GLY A 13 12.798 -20.655 3.445 1.00 13.41 H new ATOM 0 HA3 GLY A 13 11.322 -21.600 3.411 1.00 13.41 H new ATOM 198 N PRO A 14 11.028 -21.096 0.899 1.00 53.54 N ATOM 199 CA PRO A 14 10.861 -20.804 -0.558 1.00 65.34 C ATOM 200 C PRO A 14 9.947 -19.586 -0.818 1.00 54.32 C ATOM 201 O PRO A 14 8.757 -19.626 -0.495 1.00 23.32 O ATOM 202 CB PRO A 14 10.245 -22.121 -1.121 1.00 71.43 C ATOM 203 CG PRO A 14 10.652 -23.184 -0.145 1.00 60.42 C ATOM 204 CD PRO A 14 10.644 -22.506 1.210 1.00 25.02 C ATOM 0 HA PRO A 14 11.802 -20.533 -1.037 1.00 65.34 H new ATOM 0 HB2 PRO A 14 9.160 -22.049 -1.197 1.00 71.43 H new ATOM 0 HB3 PRO A 14 10.621 -22.337 -2.121 1.00 71.43 H new ATOM 0 HG2 PRO A 14 9.959 -24.025 -0.168 1.00 60.42 H new ATOM 0 HG3 PRO A 14 11.640 -23.578 -0.382 1.00 60.42 H new ATOM 0 HD2 PRO A 14 9.662 -22.560 1.680 1.00 25.02 H new ATOM 0 HD3 PRO A 14 11.351 -22.972 1.896 1.00 25.02 H new ATOM 212 N SER A 15 10.541 -18.520 -1.392 1.00 53.44 N ATOM 213 CA SER A 15 9.924 -17.200 -1.607 1.00 4.13 C ATOM 214 C SER A 15 9.423 -16.561 -0.285 1.00 61.54 C ATOM 215 O SER A 15 10.143 -15.745 0.315 1.00 31.51 O ATOM 216 CB SER A 15 8.837 -17.204 -2.729 1.00 11.22 C ATOM 217 OG SER A 15 7.780 -18.122 -2.489 1.00 31.25 O ATOM 0 H SER A 15 11.502 -18.559 -1.731 1.00 53.44 H new ATOM 0 HA SER A 15 10.720 -16.554 -1.978 1.00 4.13 H new ATOM 0 HB2 SER A 15 8.422 -16.201 -2.825 1.00 11.22 H new ATOM 0 HB3 SER A 15 9.309 -17.446 -3.681 1.00 11.22 H new ATOM 0 HG SER A 15 7.964 -18.625 -1.668 1.00 31.25 H new ATOM 223 N ASN A 16 8.216 -16.966 0.162 1.00 52.21 N ATOM 224 CA ASN A 16 7.530 -16.414 1.347 1.00 44.40 C ATOM 225 C ASN A 16 7.230 -14.921 1.160 1.00 71.13 C ATOM 226 O ASN A 16 7.867 -14.048 1.774 1.00 2.34 O ATOM 227 CB ASN A 16 8.290 -16.681 2.693 1.00 35.32 C ATOM 228 CG ASN A 16 8.228 -18.131 3.184 1.00 14.32 C ATOM 229 OD1 ASN A 16 8.189 -18.380 4.382 1.00 11.13 O ATOM 230 ND2 ASN A 16 8.265 -19.096 2.284 1.00 1.51 N ATOM 0 H ASN A 16 7.681 -17.701 -0.301 1.00 52.21 H new ATOM 0 HA ASN A 16 6.585 -16.952 1.430 1.00 44.40 H new ATOM 0 HB2 ASN A 16 9.335 -16.398 2.567 1.00 35.32 H new ATOM 0 HB3 ASN A 16 7.875 -16.032 3.464 1.00 35.32 H new ATOM 0 HD21 ASN A 16 8.261 -20.072 2.582 1.00 1.51 H new ATOM 0 HD22 ASN A 16 8.297 -18.866 1.291 1.00 1.51 H new ATOM 237 N VAL A 17 6.309 -14.645 0.227 1.00 24.10 N ATOM 238 CA VAL A 17 5.633 -13.351 0.135 1.00 12.03 C ATOM 239 C VAL A 17 4.498 -13.361 1.173 1.00 72.13 C ATOM 240 O VAL A 17 3.583 -14.191 1.044 1.00 43.05 O ATOM 241 CB VAL A 17 5.024 -13.095 -1.300 1.00 53.24 C ATOM 242 CG1 VAL A 17 4.444 -11.663 -1.430 1.00 51.51 C ATOM 243 CG2 VAL A 17 6.062 -13.358 -2.412 1.00 3.14 C ATOM 0 H VAL A 17 6.014 -15.315 -0.484 1.00 24.10 H new ATOM 0 HA VAL A 17 6.355 -12.556 0.321 1.00 12.03 H new ATOM 0 HB VAL A 17 4.205 -13.803 -1.425 1.00 53.24 H new ATOM 0 HG11 VAL A 17 4.035 -11.526 -2.431 1.00 51.51 H new ATOM 0 HG12 VAL A 17 3.654 -11.522 -0.692 1.00 51.51 H new ATOM 0 HG13 VAL A 17 5.235 -10.933 -1.258 1.00 51.51 H new ATOM 0 HG21 VAL A 17 5.608 -13.172 -3.385 1.00 3.14 H new ATOM 0 HG22 VAL A 17 6.916 -12.694 -2.277 1.00 3.14 H new ATOM 0 HG23 VAL A 17 6.396 -14.394 -2.360 1.00 3.14 H new ATOM 253 N PRO A 18 4.542 -12.479 2.225 1.00 1.54 N ATOM 254 CA PRO A 18 3.472 -12.407 3.249 1.00 41.13 C ATOM 255 C PRO A 18 2.121 -12.104 2.598 1.00 14.22 C ATOM 256 O PRO A 18 2.089 -11.378 1.600 1.00 52.25 O ATOM 257 CB PRO A 18 3.912 -11.241 4.177 1.00 71.04 C ATOM 258 CG PRO A 18 5.378 -11.056 3.915 1.00 2.20 C ATOM 259 CD PRO A 18 5.610 -11.477 2.475 1.00 24.33 C ATOM 0 HA PRO A 18 3.345 -13.345 3.790 1.00 41.13 H new ATOM 0 HB2 PRO A 18 3.355 -10.331 3.955 1.00 71.04 H new ATOM 0 HB3 PRO A 18 3.727 -11.481 5.224 1.00 71.04 H new ATOM 0 HG2 PRO A 18 5.672 -10.018 4.069 1.00 2.20 H new ATOM 0 HG3 PRO A 18 5.974 -11.661 4.598 1.00 2.20 H new ATOM 0 HD2 PRO A 18 5.533 -10.630 1.793 1.00 24.33 H new ATOM 0 HD3 PRO A 18 6.602 -11.907 2.338 1.00 24.33 H new ATOM 267 N ALA A 19 1.024 -12.655 3.159 1.00 62.30 N ATOM 268 CA ALA A 19 -0.345 -12.394 2.674 1.00 54.12 C ATOM 269 C ALA A 19 -0.607 -10.884 2.581 1.00 1.41 C ATOM 270 O ALA A 19 -1.299 -10.454 1.681 1.00 31.14 O ATOM 271 CB ALA A 19 -1.404 -13.083 3.556 1.00 34.55 C ATOM 0 H ALA A 19 1.063 -13.290 3.956 1.00 62.30 H new ATOM 0 HA ALA A 19 -0.428 -12.821 1.675 1.00 54.12 H new ATOM 0 HB1 ALA A 19 -2.399 -12.867 3.166 1.00 34.55 H new ATOM 0 HB2 ALA A 19 -1.238 -14.160 3.549 1.00 34.55 H new ATOM 0 HB3 ALA A 19 -1.326 -12.710 4.577 1.00 34.55 H new ATOM 277 N PHE A 20 -0.016 -10.100 3.510 1.00 33.43 N ATOM 278 CA PHE A 20 -0.022 -8.629 3.467 1.00 72.14 C ATOM 279 C PHE A 20 0.452 -8.080 2.096 1.00 23.51 C ATOM 280 O PHE A 20 -0.249 -7.284 1.485 1.00 62.40 O ATOM 281 CB PHE A 20 0.865 -8.065 4.616 1.00 62.42 C ATOM 282 CG PHE A 20 0.794 -6.543 4.781 1.00 54.33 C ATOM 283 CD1 PHE A 20 1.608 -5.699 4.027 1.00 22.43 C ATOM 284 CD2 PHE A 20 -0.099 -5.963 5.677 1.00 65.13 C ATOM 285 CE1 PHE A 20 1.531 -4.339 4.162 1.00 22.12 C ATOM 286 CE2 PHE A 20 -0.173 -4.592 5.810 1.00 14.01 C ATOM 287 CZ PHE A 20 0.643 -3.781 5.052 1.00 71.52 C ATOM 0 H PHE A 20 0.482 -10.478 4.316 1.00 33.43 H new ATOM 0 HA PHE A 20 -1.051 -8.297 3.604 1.00 72.14 H new ATOM 0 HB2 PHE A 20 0.566 -8.534 5.553 1.00 62.42 H new ATOM 0 HB3 PHE A 20 1.901 -8.351 4.433 1.00 62.42 H new ATOM 0 HD1 PHE A 20 2.310 -6.125 3.326 1.00 22.43 H new ATOM 0 HD2 PHE A 20 -0.741 -6.593 6.275 1.00 65.13 H new ATOM 0 HE1 PHE A 20 2.170 -3.702 3.568 1.00 22.12 H new ATOM 0 HE2 PHE A 20 -0.871 -4.154 6.508 1.00 14.01 H new ATOM 0 HZ PHE A 20 0.585 -2.708 5.157 1.00 71.52 H new ATOM 297 N LEU A 21 1.635 -8.531 1.617 1.00 31.22 N ATOM 298 CA LEU A 21 2.286 -7.954 0.408 1.00 11.34 C ATOM 299 C LEU A 21 1.654 -8.540 -0.860 1.00 65.31 C ATOM 300 O LEU A 21 1.629 -7.898 -1.912 1.00 2.35 O ATOM 301 CB LEU A 21 3.820 -8.211 0.415 1.00 71.23 C ATOM 302 CG LEU A 21 4.641 -7.503 1.542 1.00 23.30 C ATOM 303 CD1 LEU A 21 6.139 -7.848 1.430 1.00 42.54 C ATOM 304 CD2 LEU A 21 4.427 -5.972 1.522 1.00 63.05 C ATOM 0 H LEU A 21 2.161 -9.292 2.046 1.00 31.22 H new ATOM 0 HA LEU A 21 2.128 -6.876 0.420 1.00 11.34 H new ATOM 0 HB2 LEU A 21 3.986 -9.285 0.496 1.00 71.23 H new ATOM 0 HB3 LEU A 21 4.223 -7.898 -0.548 1.00 71.23 H new ATOM 0 HG LEU A 21 4.275 -7.875 2.499 1.00 23.30 H new ATOM 0 HD11 LEU A 21 6.689 -7.344 2.225 1.00 42.54 H new ATOM 0 HD12 LEU A 21 6.272 -8.926 1.524 1.00 42.54 H new ATOM 0 HD13 LEU A 21 6.517 -7.519 0.462 1.00 42.54 H new ATOM 0 HD21 LEU A 21 5.012 -5.512 2.318 1.00 63.05 H new ATOM 0 HD22 LEU A 21 4.747 -5.572 0.560 1.00 63.05 H new ATOM 0 HD23 LEU A 21 3.371 -5.750 1.674 1.00 63.05 H new ATOM 316 N THR A 22 1.191 -9.787 -0.725 1.00 43.21 N ATOM 317 CA THR A 22 0.425 -10.506 -1.737 1.00 35.23 C ATOM 318 C THR A 22 -0.885 -9.750 -2.069 1.00 34.04 C ATOM 319 O THR A 22 -1.175 -9.454 -3.238 1.00 62.30 O ATOM 320 CB THR A 22 0.134 -11.949 -1.199 1.00 33.24 C ATOM 321 OG1 THR A 22 1.371 -12.629 -0.927 1.00 33.04 O ATOM 322 CG2 THR A 22 -0.688 -12.786 -2.168 1.00 2.20 C ATOM 0 H THR A 22 1.346 -10.337 0.120 1.00 43.21 H new ATOM 0 HA THR A 22 0.995 -10.574 -2.663 1.00 35.23 H new ATOM 0 HB THR A 22 -0.450 -11.831 -0.286 1.00 33.24 H new ATOM 0 HG1 THR A 22 1.737 -12.314 -0.074 1.00 33.04 H new ATOM 0 HG21 THR A 22 -0.858 -13.775 -1.741 1.00 2.20 H new ATOM 0 HG22 THR A 22 -1.646 -12.299 -2.347 1.00 2.20 H new ATOM 0 HG23 THR A 22 -0.150 -12.885 -3.110 1.00 2.20 H new ATOM 330 N LYS A 23 -1.646 -9.414 -1.010 1.00 75.33 N ATOM 331 CA LYS A 23 -2.894 -8.650 -1.122 1.00 12.10 C ATOM 332 C LYS A 23 -2.600 -7.227 -1.615 1.00 45.21 C ATOM 333 O LYS A 23 -3.279 -6.741 -2.514 1.00 42.44 O ATOM 334 CB LYS A 23 -3.645 -8.586 0.242 1.00 34.30 C ATOM 335 CG LYS A 23 -4.175 -9.926 0.833 1.00 34.55 C ATOM 336 CD LYS A 23 -5.452 -10.502 0.154 1.00 41.24 C ATOM 337 CE LYS A 23 -5.191 -11.245 -1.164 1.00 74.22 C ATOM 338 NZ LYS A 23 -6.394 -11.986 -1.628 1.00 51.21 N ATOM 0 H LYS A 23 -1.408 -9.668 -0.051 1.00 75.33 H new ATOM 0 HA LYS A 23 -3.533 -9.161 -1.842 1.00 12.10 H new ATOM 0 HB2 LYS A 23 -2.975 -8.137 0.975 1.00 34.30 H new ATOM 0 HB3 LYS A 23 -4.492 -7.910 0.128 1.00 34.30 H new ATOM 0 HG2 LYS A 23 -3.382 -10.671 0.766 1.00 34.55 H new ATOM 0 HG3 LYS A 23 -4.384 -9.778 1.892 1.00 34.55 H new ATOM 0 HD2 LYS A 23 -5.942 -11.183 0.850 1.00 41.24 H new ATOM 0 HD3 LYS A 23 -6.148 -9.685 -0.036 1.00 41.24 H new ATOM 0 HE2 LYS A 23 -4.886 -10.531 -1.929 1.00 74.22 H new ATOM 0 HE3 LYS A 23 -4.364 -11.942 -1.031 1.00 74.22 H new ATOM 0 HZ1 LYS A 23 -6.178 -12.475 -2.520 1.00 51.21 H new ATOM 0 HZ2 LYS A 23 -6.670 -12.685 -0.909 1.00 51.21 H new ATOM 0 HZ3 LYS A 23 -7.176 -11.318 -1.780 1.00 51.21 H new ATOM 352 N LEU A 24 -1.563 -6.593 -1.018 1.00 43.12 N ATOM 353 CA LEU A 24 -1.151 -5.207 -1.328 1.00 23.35 C ATOM 354 C LEU A 24 -0.843 -5.029 -2.826 1.00 44.50 C ATOM 355 O LEU A 24 -1.320 -4.088 -3.434 1.00 4.25 O ATOM 356 CB LEU A 24 0.085 -4.804 -0.480 1.00 61.13 C ATOM 357 CG LEU A 24 0.608 -3.339 -0.665 1.00 71.22 C ATOM 358 CD1 LEU A 24 -0.468 -2.309 -0.273 1.00 21.00 C ATOM 359 CD2 LEU A 24 1.917 -3.110 0.120 1.00 74.53 C ATOM 0 H LEU A 24 -0.986 -7.034 -0.302 1.00 43.12 H new ATOM 0 HA LEU A 24 -1.986 -4.553 -1.076 1.00 23.35 H new ATOM 0 HB2 LEU A 24 -0.160 -4.949 0.572 1.00 61.13 H new ATOM 0 HB3 LEU A 24 0.899 -5.490 -0.715 1.00 61.13 H new ATOM 0 HG LEU A 24 0.829 -3.197 -1.723 1.00 71.22 H new ATOM 0 HD11 LEU A 24 -0.075 -1.302 -0.412 1.00 21.00 H new ATOM 0 HD12 LEU A 24 -1.348 -2.445 -0.901 1.00 21.00 H new ATOM 0 HD13 LEU A 24 -0.743 -2.450 0.772 1.00 21.00 H new ATOM 0 HD21 LEU A 24 2.255 -2.084 -0.028 1.00 74.53 H new ATOM 0 HD22 LEU A 24 1.740 -3.284 1.181 1.00 74.53 H new ATOM 0 HD23 LEU A 24 2.681 -3.799 -0.238 1.00 74.53 H new ATOM 371 N TRP A 25 -0.046 -5.949 -3.393 1.00 22.13 N ATOM 372 CA TRP A 25 0.327 -5.953 -4.827 1.00 22.22 C ATOM 373 C TRP A 25 -0.930 -5.961 -5.738 1.00 72.44 C ATOM 374 O TRP A 25 -1.026 -5.186 -6.702 1.00 11.35 O ATOM 375 CB TRP A 25 1.232 -7.185 -5.101 1.00 0.54 C ATOM 376 CG TRP A 25 1.758 -7.293 -6.514 1.00 1.32 C ATOM 377 CD1 TRP A 25 2.670 -6.472 -7.125 1.00 40.05 C ATOM 378 CD2 TRP A 25 1.415 -8.296 -7.481 1.00 20.14 C ATOM 379 NE1 TRP A 25 2.890 -6.896 -8.410 1.00 1.23 N ATOM 380 CE2 TRP A 25 2.136 -8.014 -8.649 1.00 40.33 C ATOM 381 CE3 TRP A 25 0.556 -9.399 -7.467 1.00 45.54 C ATOM 382 CZ2 TRP A 25 2.033 -8.792 -9.793 1.00 45.05 C ATOM 383 CZ3 TRP A 25 0.454 -10.179 -8.605 1.00 15.34 C ATOM 384 CH2 TRP A 25 1.189 -9.869 -9.757 1.00 53.42 C ATOM 0 H TRP A 25 0.365 -6.721 -2.868 1.00 22.13 H new ATOM 0 HA TRP A 25 0.876 -5.041 -5.061 1.00 22.22 H new ATOM 0 HB2 TRP A 25 2.079 -7.153 -4.416 1.00 0.54 H new ATOM 0 HB3 TRP A 25 0.668 -8.089 -4.870 1.00 0.54 H new ATOM 0 HD1 TRP A 25 3.144 -5.619 -6.663 1.00 40.05 H new ATOM 0 HE1 TRP A 25 3.515 -6.450 -9.081 1.00 1.23 H new ATOM 0 HE3 TRP A 25 -0.018 -9.638 -6.584 1.00 45.54 H new ATOM 0 HZ2 TRP A 25 2.599 -8.556 -10.682 1.00 45.05 H new ATOM 0 HZ3 TRP A 25 -0.201 -11.038 -8.606 1.00 15.34 H new ATOM 0 HH2 TRP A 25 1.088 -10.492 -10.633 1.00 53.42 H new ATOM 395 N THR A 26 -1.880 -6.839 -5.392 1.00 11.15 N ATOM 396 CA THR A 26 -3.170 -6.992 -6.091 1.00 74.11 C ATOM 397 C THR A 26 -4.118 -5.788 -5.839 1.00 11.11 C ATOM 398 O THR A 26 -4.979 -5.474 -6.669 1.00 61.44 O ATOM 399 CB THR A 26 -3.847 -8.325 -5.629 1.00 73.15 C ATOM 400 OG1 THR A 26 -2.931 -9.420 -5.811 1.00 32.00 O ATOM 401 CG2 THR A 26 -5.148 -8.638 -6.387 1.00 65.34 C ATOM 0 H THR A 26 -1.775 -7.477 -4.603 1.00 11.15 H new ATOM 0 HA THR A 26 -2.976 -7.023 -7.163 1.00 74.11 H new ATOM 0 HB THR A 26 -4.104 -8.196 -4.578 1.00 73.15 H new ATOM 0 HG1 THR A 26 -2.342 -9.487 -5.031 1.00 32.00 H new ATOM 0 HG21 THR A 26 -5.567 -9.575 -6.019 1.00 65.34 H new ATOM 0 HG22 THR A 26 -5.865 -7.833 -6.227 1.00 65.34 H new ATOM 0 HG23 THR A 26 -4.936 -8.729 -7.452 1.00 65.34 H new ATOM 409 N LEU A 27 -3.915 -5.112 -4.703 1.00 25.20 N ATOM 410 CA LEU A 27 -4.753 -3.993 -4.247 1.00 54.23 C ATOM 411 C LEU A 27 -4.402 -2.702 -5.008 1.00 72.14 C ATOM 412 O LEU A 27 -5.283 -1.942 -5.428 1.00 70.23 O ATOM 413 CB LEU A 27 -4.544 -3.827 -2.721 1.00 71.13 C ATOM 414 CG LEU A 27 -5.219 -2.611 -2.052 1.00 61.02 C ATOM 415 CD1 LEU A 27 -6.720 -2.580 -2.365 1.00 14.20 C ATOM 416 CD2 LEU A 27 -4.945 -2.599 -0.533 1.00 73.53 C ATOM 0 H LEU A 27 -3.151 -5.329 -4.063 1.00 25.20 H new ATOM 0 HA LEU A 27 -5.803 -4.201 -4.450 1.00 54.23 H new ATOM 0 HB2 LEU A 27 -4.906 -4.729 -2.229 1.00 71.13 H new ATOM 0 HB3 LEU A 27 -3.473 -3.768 -2.530 1.00 71.13 H new ATOM 0 HG LEU A 27 -4.784 -1.702 -2.467 1.00 61.02 H new ATOM 0 HD11 LEU A 27 -7.174 -1.714 -1.883 1.00 14.20 H new ATOM 0 HD12 LEU A 27 -6.866 -2.513 -3.443 1.00 14.20 H new ATOM 0 HD13 LEU A 27 -7.188 -3.491 -1.992 1.00 14.20 H new ATOM 0 HD21 LEU A 27 -5.430 -1.733 -0.083 1.00 73.53 H new ATOM 0 HD22 LEU A 27 -5.340 -3.511 -0.085 1.00 73.53 H new ATOM 0 HD23 LEU A 27 -3.871 -2.545 -0.358 1.00 73.53 H new ATOM 428 N VAL A 28 -3.096 -2.480 -5.148 1.00 22.05 N ATOM 429 CA VAL A 28 -2.505 -1.399 -5.949 1.00 44.21 C ATOM 430 C VAL A 28 -2.958 -1.475 -7.440 1.00 24.14 C ATOM 431 O VAL A 28 -3.017 -0.458 -8.143 1.00 61.22 O ATOM 432 CB VAL A 28 -0.931 -1.486 -5.819 1.00 74.33 C ATOM 433 CG1 VAL A 28 -0.213 -0.495 -6.732 1.00 71.03 C ATOM 434 CG2 VAL A 28 -0.463 -1.274 -4.354 1.00 52.11 C ATOM 0 H VAL A 28 -2.394 -3.064 -4.694 1.00 22.05 H new ATOM 0 HA VAL A 28 -2.852 -0.437 -5.572 1.00 44.21 H new ATOM 0 HB VAL A 28 -0.663 -2.494 -6.135 1.00 74.33 H new ATOM 0 HG11 VAL A 28 0.865 -0.597 -6.603 1.00 71.03 H new ATOM 0 HG12 VAL A 28 -0.475 -0.700 -7.770 1.00 71.03 H new ATOM 0 HG13 VAL A 28 -0.515 0.520 -6.476 1.00 71.03 H new ATOM 0 HG21 VAL A 28 0.624 -1.341 -4.306 1.00 52.11 H new ATOM 0 HG22 VAL A 28 -0.781 -0.290 -4.009 1.00 52.11 H new ATOM 0 HG23 VAL A 28 -0.902 -2.042 -3.717 1.00 52.11 H new ATOM 444 N SER A 29 -3.294 -2.695 -7.902 1.00 70.12 N ATOM 445 CA SER A 29 -3.727 -2.951 -9.292 1.00 71.41 C ATOM 446 C SER A 29 -5.260 -3.103 -9.419 1.00 23.43 C ATOM 447 O SER A 29 -5.765 -3.341 -10.531 1.00 75.23 O ATOM 448 CB SER A 29 -3.028 -4.228 -9.815 1.00 61.43 C ATOM 449 OG SER A 29 -3.333 -5.364 -9.021 1.00 42.42 O ATOM 0 H SER A 29 -3.273 -3.533 -7.321 1.00 70.12 H new ATOM 0 HA SER A 29 -3.442 -2.086 -9.891 1.00 71.41 H new ATOM 0 HB2 SER A 29 -3.334 -4.413 -10.845 1.00 61.43 H new ATOM 0 HB3 SER A 29 -1.949 -4.072 -9.826 1.00 61.43 H new ATOM 0 HG SER A 29 -4.004 -5.123 -8.349 1.00 42.42 H new ATOM 455 N ASP A 30 -5.999 -2.970 -8.292 1.00 21.40 N ATOM 456 CA ASP A 30 -7.455 -3.247 -8.245 1.00 74.03 C ATOM 457 C ASP A 30 -8.265 -2.042 -8.773 1.00 22.44 C ATOM 458 O ASP A 30 -8.179 -0.961 -8.195 1.00 11.13 O ATOM 459 CB ASP A 30 -7.882 -3.575 -6.788 1.00 52.03 C ATOM 460 CG ASP A 30 -9.375 -3.935 -6.598 1.00 34.34 C ATOM 461 OD1 ASP A 30 -10.000 -4.504 -7.520 1.00 45.13 O ATOM 462 OD2 ASP A 30 -9.909 -3.719 -5.491 1.00 5.13 O ATOM 0 H ASP A 30 -5.608 -2.671 -7.399 1.00 21.40 H new ATOM 0 HA ASP A 30 -7.662 -4.104 -8.886 1.00 74.03 H new ATOM 0 HB2 ASP A 30 -7.277 -4.407 -6.429 1.00 52.03 H new ATOM 0 HB3 ASP A 30 -7.650 -2.717 -6.158 1.00 52.03 H new ATOM 467 N PRO A 31 -9.085 -2.219 -9.865 1.00 43.51 N ATOM 468 CA PRO A 31 -9.920 -1.127 -10.432 1.00 52.05 C ATOM 469 C PRO A 31 -11.126 -0.751 -9.532 1.00 71.42 C ATOM 470 O PRO A 31 -11.807 0.240 -9.801 1.00 1.04 O ATOM 471 CB PRO A 31 -10.390 -1.714 -11.787 1.00 63.12 C ATOM 472 CG PRO A 31 -10.409 -3.197 -11.565 1.00 1.30 C ATOM 473 CD PRO A 31 -9.248 -3.488 -10.631 1.00 14.24 C ATOM 0 HA PRO A 31 -9.364 -0.194 -10.525 1.00 52.05 H new ATOM 0 HB2 PRO A 31 -11.377 -1.341 -12.061 1.00 63.12 H new ATOM 0 HB3 PRO A 31 -9.711 -1.442 -12.595 1.00 63.12 H new ATOM 0 HG2 PRO A 31 -11.354 -3.515 -11.125 1.00 1.30 H new ATOM 0 HG3 PRO A 31 -10.298 -3.735 -12.506 1.00 1.30 H new ATOM 0 HD2 PRO A 31 -9.465 -4.329 -9.972 1.00 14.24 H new ATOM 0 HD3 PRO A 31 -8.343 -3.741 -11.183 1.00 14.24 H new ATOM 481 N ASP A 32 -11.416 -1.571 -8.498 1.00 4.12 N ATOM 482 CA ASP A 32 -12.455 -1.246 -7.485 1.00 41.01 C ATOM 483 C ASP A 32 -11.949 -0.159 -6.540 1.00 30.45 C ATOM 484 O ASP A 32 -12.717 0.711 -6.120 1.00 4.10 O ATOM 485 CB ASP A 32 -12.879 -2.502 -6.676 1.00 44.44 C ATOM 486 CG ASP A 32 -13.977 -2.229 -5.612 1.00 31.13 C ATOM 487 OD1 ASP A 32 -15.173 -2.234 -5.961 1.00 71.22 O ATOM 488 OD2 ASP A 32 -13.645 -2.006 -4.418 1.00 75.14 O ATOM 0 H ASP A 32 -10.948 -2.463 -8.339 1.00 4.12 H new ATOM 0 HA ASP A 32 -13.333 -0.880 -8.017 1.00 41.01 H new ATOM 0 HB2 ASP A 32 -13.240 -3.262 -7.369 1.00 44.44 H new ATOM 0 HB3 ASP A 32 -12.001 -2.915 -6.179 1.00 44.44 H new ATOM 493 N THR A 33 -10.647 -0.212 -6.229 1.00 60.11 N ATOM 494 CA THR A 33 -10.013 0.657 -5.221 1.00 11.11 C ATOM 495 C THR A 33 -8.928 1.560 -5.849 1.00 23.33 C ATOM 496 O THR A 33 -8.168 2.185 -5.112 1.00 72.23 O ATOM 497 CB THR A 33 -9.363 -0.217 -4.096 1.00 2.32 C ATOM 498 OG1 THR A 33 -8.385 -1.087 -4.682 1.00 3.43 O ATOM 499 CG2 THR A 33 -10.394 -1.069 -3.335 1.00 21.22 C ATOM 0 H THR A 33 -9.997 -0.862 -6.671 1.00 60.11 H new ATOM 0 HA THR A 33 -10.791 1.294 -4.800 1.00 11.11 H new ATOM 0 HB THR A 33 -8.906 0.465 -3.379 1.00 2.32 H new ATOM 0 HG1 THR A 33 -7.489 -0.716 -4.538 1.00 3.43 H new ATOM 0 HG21 THR A 33 -9.887 -1.654 -2.568 1.00 21.22 H new ATOM 0 HG22 THR A 33 -11.131 -0.416 -2.866 1.00 21.22 H new ATOM 0 HG23 THR A 33 -10.896 -1.741 -4.031 1.00 21.22 H new ATOM 507 N ASP A 34 -8.891 1.649 -7.199 1.00 15.52 N ATOM 508 CA ASP A 34 -7.798 2.338 -7.941 1.00 51.15 C ATOM 509 C ASP A 34 -7.721 3.841 -7.599 1.00 4.33 C ATOM 510 O ASP A 34 -6.646 4.444 -7.665 1.00 12.32 O ATOM 511 CB ASP A 34 -7.958 2.147 -9.476 1.00 35.23 C ATOM 512 CG ASP A 34 -9.136 2.939 -10.092 1.00 3.33 C ATOM 513 OD1 ASP A 34 -10.292 2.742 -9.658 1.00 51.44 O ATOM 514 OD2 ASP A 34 -8.910 3.762 -11.008 1.00 60.12 O ATOM 0 H ASP A 34 -9.609 1.251 -7.804 1.00 15.52 H new ATOM 0 HA ASP A 34 -6.863 1.876 -7.623 1.00 51.15 H new ATOM 0 HB2 ASP A 34 -7.034 2.451 -9.967 1.00 35.23 H new ATOM 0 HB3 ASP A 34 -8.097 1.087 -9.687 1.00 35.23 H new ATOM 519 N ALA A 35 -8.874 4.436 -7.267 1.00 32.01 N ATOM 520 CA ALA A 35 -8.956 5.852 -6.883 1.00 73.23 C ATOM 521 C ALA A 35 -8.440 6.116 -5.451 1.00 35.23 C ATOM 522 O ALA A 35 -8.081 7.253 -5.124 1.00 32.11 O ATOM 523 CB ALA A 35 -10.385 6.351 -7.068 1.00 22.45 C ATOM 0 H ALA A 35 -9.772 3.953 -7.257 1.00 32.01 H new ATOM 0 HA ALA A 35 -8.294 6.415 -7.541 1.00 73.23 H new ATOM 0 HB1 ALA A 35 -10.443 7.401 -6.783 1.00 22.45 H new ATOM 0 HB2 ALA A 35 -10.676 6.242 -8.113 1.00 22.45 H new ATOM 0 HB3 ALA A 35 -11.058 5.767 -6.441 1.00 22.45 H new ATOM 529 N LEU A 36 -8.384 5.074 -4.603 1.00 2.22 N ATOM 530 CA LEU A 36 -7.887 5.191 -3.213 1.00 44.32 C ATOM 531 C LEU A 36 -6.486 4.570 -3.082 1.00 12.54 C ATOM 532 O LEU A 36 -5.804 4.797 -2.082 1.00 75.41 O ATOM 533 CB LEU A 36 -8.866 4.514 -2.222 1.00 45.20 C ATOM 534 CG LEU A 36 -10.307 5.111 -2.166 1.00 12.11 C ATOM 535 CD1 LEU A 36 -11.139 4.455 -1.055 1.00 21.30 C ATOM 536 CD2 LEU A 36 -10.277 6.645 -1.997 1.00 34.45 C ATOM 0 H LEU A 36 -8.679 4.131 -4.856 1.00 2.22 H new ATOM 0 HA LEU A 36 -7.822 6.251 -2.967 1.00 44.32 H new ATOM 0 HB2 LEU A 36 -8.942 3.458 -2.482 1.00 45.20 H new ATOM 0 HB3 LEU A 36 -8.434 4.566 -1.223 1.00 45.20 H new ATOM 0 HG LEU A 36 -10.786 4.891 -3.120 1.00 12.11 H new ATOM 0 HD11 LEU A 36 -12.137 4.892 -1.042 1.00 21.30 H new ATOM 0 HD12 LEU A 36 -11.215 3.384 -1.241 1.00 21.30 H new ATOM 0 HD13 LEU A 36 -10.657 4.623 -0.092 1.00 21.30 H new ATOM 0 HD21 LEU A 36 -11.297 7.027 -1.962 1.00 34.45 H new ATOM 0 HD22 LEU A 36 -9.762 6.899 -1.070 1.00 34.45 H new ATOM 0 HD23 LEU A 36 -9.750 7.094 -2.839 1.00 34.45 H new ATOM 548 N ILE A 37 -6.090 3.743 -4.073 1.00 73.44 N ATOM 549 CA ILE A 37 -4.743 3.146 -4.137 1.00 70.45 C ATOM 550 C ILE A 37 -4.423 2.673 -5.571 1.00 14.25 C ATOM 551 O ILE A 37 -5.153 1.873 -6.152 1.00 35.30 O ATOM 552 CB ILE A 37 -4.574 1.973 -3.099 1.00 21.31 C ATOM 553 CG1 ILE A 37 -3.121 1.399 -3.106 1.00 43.12 C ATOM 554 CG2 ILE A 37 -5.631 0.864 -3.305 1.00 54.34 C ATOM 555 CD1 ILE A 37 -2.828 0.375 -2.014 1.00 64.41 C ATOM 0 H ILE A 37 -6.695 3.472 -4.848 1.00 73.44 H new ATOM 0 HA ILE A 37 -4.026 3.920 -3.865 1.00 70.45 H new ATOM 0 HB ILE A 37 -4.747 2.396 -2.109 1.00 21.31 H new ATOM 0 HG12 ILE A 37 -2.933 0.938 -4.076 1.00 43.12 H new ATOM 0 HG13 ILE A 37 -2.419 2.227 -3.005 1.00 43.12 H new ATOM 0 HG21 ILE A 37 -5.479 0.075 -2.569 1.00 54.34 H new ATOM 0 HG22 ILE A 37 -6.629 1.285 -3.184 1.00 54.34 H new ATOM 0 HG23 ILE A 37 -5.532 0.449 -4.308 1.00 54.34 H new ATOM 0 HD11 ILE A 37 -1.796 0.035 -2.101 1.00 64.41 H new ATOM 0 HD12 ILE A 37 -2.978 0.833 -1.036 1.00 64.41 H new ATOM 0 HD13 ILE A 37 -3.500 -0.476 -2.123 1.00 64.41 H new ATOM 567 N CYS A 38 -3.338 3.210 -6.139 1.00 75.21 N ATOM 568 CA CYS A 38 -2.852 2.827 -7.474 1.00 72.24 C ATOM 569 C CYS A 38 -1.350 3.108 -7.576 1.00 23.53 C ATOM 570 O CYS A 38 -0.817 3.981 -6.881 1.00 21.12 O ATOM 571 CB CYS A 38 -3.628 3.564 -8.588 1.00 74.52 C ATOM 572 SG CYS A 38 -3.206 3.036 -10.265 1.00 4.11 S ATOM 0 H CYS A 38 -2.769 3.925 -5.686 1.00 75.21 H new ATOM 0 HA CYS A 38 -3.024 1.760 -7.613 1.00 72.24 H new ATOM 0 HB2 CYS A 38 -4.696 3.414 -8.431 1.00 74.52 H new ATOM 0 HB3 CYS A 38 -3.440 4.634 -8.499 1.00 74.52 H new ATOM 0 HG CYS A 38 -3.911 3.711 -11.123 1.00 4.11 H new ATOM 578 N TRP A 39 -0.683 2.366 -8.473 1.00 71.35 N ATOM 579 CA TRP A 39 0.785 2.409 -8.642 1.00 65.32 C ATOM 580 C TRP A 39 1.218 3.692 -9.359 1.00 42.01 C ATOM 581 O TRP A 39 0.456 4.274 -10.137 1.00 54.43 O ATOM 582 CB TRP A 39 1.305 1.147 -9.414 1.00 0.42 C ATOM 583 CG TRP A 39 0.475 0.764 -10.627 1.00 34.45 C ATOM 584 CD1 TRP A 39 -0.636 -0.045 -10.644 1.00 43.41 C ATOM 585 CD2 TRP A 39 0.688 1.167 -11.989 1.00 12.23 C ATOM 586 NE1 TRP A 39 -1.125 -0.146 -11.918 1.00 10.04 N ATOM 587 CE2 TRP A 39 -0.332 0.584 -12.762 1.00 12.00 C ATOM 588 CE3 TRP A 39 1.637 1.968 -12.622 1.00 5.13 C ATOM 589 CZ2 TRP A 39 -0.425 0.780 -14.137 1.00 32.44 C ATOM 590 CZ3 TRP A 39 1.549 2.160 -13.983 1.00 33.00 C ATOM 591 CH2 TRP A 39 0.522 1.569 -14.730 1.00 12.01 C ATOM 0 H TRP A 39 -1.146 1.714 -9.107 1.00 71.35 H new ATOM 0 HA TRP A 39 1.230 2.405 -7.647 1.00 65.32 H new ATOM 0 HB2 TRP A 39 2.331 1.330 -9.734 1.00 0.42 H new ATOM 0 HB3 TRP A 39 1.332 0.302 -8.726 1.00 0.42 H new ATOM 0 HD1 TRP A 39 -1.061 -0.530 -9.778 1.00 43.41 H new ATOM 0 HE1 TRP A 39 -1.949 -0.680 -12.195 1.00 10.04 H new ATOM 0 HE3 TRP A 39 2.430 2.431 -12.053 1.00 5.13 H new ATOM 0 HZ2 TRP A 39 -1.216 0.326 -14.715 1.00 32.44 H new ATOM 0 HZ3 TRP A 39 2.283 2.776 -14.482 1.00 33.00 H new ATOM 0 HH2 TRP A 39 0.477 1.740 -15.795 1.00 12.01 H new ATOM 602 N SER A 40 2.454 4.112 -9.077 1.00 24.51 N ATOM 603 CA SER A 40 3.114 5.218 -9.766 1.00 23.34 C ATOM 604 C SER A 40 3.650 4.701 -11.123 1.00 64.13 C ATOM 605 O SER A 40 4.106 3.555 -11.176 1.00 1.04 O ATOM 606 CB SER A 40 4.261 5.741 -8.871 1.00 1.23 C ATOM 607 OG SER A 40 3.795 6.064 -7.569 1.00 2.43 O ATOM 0 H SER A 40 3.031 3.685 -8.352 1.00 24.51 H new ATOM 0 HA SER A 40 2.421 6.038 -9.955 1.00 23.34 H new ATOM 0 HB2 SER A 40 5.044 4.986 -8.802 1.00 1.23 H new ATOM 0 HB3 SER A 40 4.708 6.623 -9.329 1.00 1.23 H new ATOM 0 HG SER A 40 4.516 5.927 -6.920 1.00 2.43 H new ATOM 613 N PRO A 41 3.590 5.513 -12.233 1.00 21.51 N ATOM 614 CA PRO A 41 4.008 5.066 -13.600 1.00 31.44 C ATOM 615 C PRO A 41 5.459 4.511 -13.672 1.00 2.30 C ATOM 616 O PRO A 41 5.761 3.672 -14.529 1.00 71.02 O ATOM 617 CB PRO A 41 3.838 6.344 -14.463 1.00 35.22 C ATOM 618 CG PRO A 41 2.827 7.169 -13.722 1.00 2.30 C ATOM 619 CD PRO A 41 3.086 6.910 -12.255 1.00 62.51 C ATOM 0 HA PRO A 41 3.408 4.223 -13.942 1.00 31.44 H new ATOM 0 HB2 PRO A 41 4.782 6.878 -14.572 1.00 35.22 H new ATOM 0 HB3 PRO A 41 3.492 6.101 -15.468 1.00 35.22 H new ATOM 0 HG2 PRO A 41 2.936 8.227 -13.958 1.00 2.30 H new ATOM 0 HG3 PRO A 41 1.811 6.884 -13.997 1.00 2.30 H new ATOM 0 HD2 PRO A 41 3.818 7.607 -11.848 1.00 62.51 H new ATOM 0 HD3 PRO A 41 2.178 7.018 -11.662 1.00 62.51 H new ATOM 627 N SER A 42 6.339 4.965 -12.751 1.00 4.11 N ATOM 628 CA SER A 42 7.729 4.467 -12.653 1.00 35.31 C ATOM 629 C SER A 42 7.780 3.059 -12.025 1.00 23.32 C ATOM 630 O SER A 42 8.702 2.284 -12.301 1.00 5.50 O ATOM 631 CB SER A 42 8.592 5.446 -11.839 1.00 54.41 C ATOM 632 OG SER A 42 8.618 6.732 -12.440 1.00 24.12 O ATOM 0 H SER A 42 6.108 5.680 -12.061 1.00 4.11 H new ATOM 0 HA SER A 42 8.130 4.397 -13.664 1.00 35.31 H new ATOM 0 HB2 SER A 42 8.200 5.524 -10.825 1.00 54.41 H new ATOM 0 HB3 SER A 42 9.608 5.059 -11.759 1.00 54.41 H new ATOM 0 HG SER A 42 9.172 7.334 -11.901 1.00 24.12 H new ATOM 638 N GLY A 43 6.781 2.747 -11.184 1.00 4.33 N ATOM 639 CA GLY A 43 6.636 1.417 -10.587 1.00 73.51 C ATOM 640 C GLY A 43 7.266 1.285 -9.208 1.00 13.34 C ATOM 641 O GLY A 43 7.071 0.263 -8.550 1.00 71.05 O ATOM 0 H GLY A 43 6.057 3.408 -10.902 1.00 4.33 H new ATOM 0 HA2 GLY A 43 5.575 1.176 -10.515 1.00 73.51 H new ATOM 0 HA3 GLY A 43 7.086 0.680 -11.253 1.00 73.51 H new ATOM 645 N ASN A 44 7.970 2.339 -8.750 1.00 23.14 N ATOM 646 CA ASN A 44 8.807 2.304 -7.523 1.00 1.21 C ATOM 647 C ASN A 44 7.960 2.433 -6.245 1.00 20.13 C ATOM 648 O ASN A 44 8.441 2.141 -5.138 1.00 61.43 O ATOM 649 CB ASN A 44 9.852 3.460 -7.567 1.00 45.22 C ATOM 650 CG ASN A 44 10.845 3.386 -8.736 1.00 54.12 C ATOM 651 OD1 ASN A 44 10.559 2.823 -9.791 1.00 53.41 O ATOM 652 ND2 ASN A 44 12.023 3.974 -8.562 1.00 4.11 N ATOM 0 H ASN A 44 7.977 3.245 -9.219 1.00 23.14 H new ATOM 0 HA ASN A 44 9.312 1.338 -7.496 1.00 1.21 H new ATOM 0 HB2 ASN A 44 9.320 4.410 -7.620 1.00 45.22 H new ATOM 0 HB3 ASN A 44 10.412 3.460 -6.632 1.00 45.22 H new ATOM 0 HD21 ASN A 44 12.713 3.965 -9.313 1.00 4.11 H new ATOM 0 HD22 ASN A 44 12.237 4.435 -7.678 1.00 4.11 H new ATOM 659 N SER A 45 6.704 2.886 -6.403 1.00 71.04 N ATOM 660 CA SER A 45 5.817 3.199 -5.279 1.00 1.01 C ATOM 661 C SER A 45 4.347 3.126 -5.704 1.00 41.10 C ATOM 662 O SER A 45 4.025 2.836 -6.866 1.00 40.42 O ATOM 663 CB SER A 45 6.150 4.614 -4.754 1.00 12.22 C ATOM 664 OG SER A 45 6.108 5.587 -5.791 1.00 4.23 O ATOM 0 H SER A 45 6.279 3.044 -7.317 1.00 71.04 H new ATOM 0 HA SER A 45 5.973 2.465 -4.488 1.00 1.01 H new ATOM 0 HB2 SER A 45 5.442 4.887 -3.971 1.00 12.22 H new ATOM 0 HB3 SER A 45 7.141 4.609 -4.300 1.00 12.22 H new ATOM 0 HG SER A 45 5.799 6.442 -5.425 1.00 4.23 H new ATOM 670 N PHE A 46 3.463 3.398 -4.736 1.00 20.22 N ATOM 671 CA PHE A 46 2.019 3.552 -4.959 1.00 22.11 C ATOM 672 C PHE A 46 1.500 4.725 -4.126 1.00 23.13 C ATOM 673 O PHE A 46 2.063 5.050 -3.081 1.00 41.20 O ATOM 674 CB PHE A 46 1.261 2.238 -4.621 1.00 4.03 C ATOM 675 CG PHE A 46 1.429 1.725 -3.180 1.00 33.43 C ATOM 676 CD1 PHE A 46 2.536 0.958 -2.822 1.00 25.52 C ATOM 677 CD2 PHE A 46 0.473 1.992 -2.199 1.00 11.24 C ATOM 678 CE1 PHE A 46 2.683 0.477 -1.537 1.00 24.40 C ATOM 679 CE2 PHE A 46 0.621 1.508 -0.914 1.00 23.00 C ATOM 680 CZ PHE A 46 1.726 0.751 -0.582 1.00 53.52 C ATOM 0 H PHE A 46 3.735 3.519 -3.760 1.00 20.22 H new ATOM 0 HA PHE A 46 1.839 3.763 -6.013 1.00 22.11 H new ATOM 0 HB2 PHE A 46 0.199 2.393 -4.811 1.00 4.03 H new ATOM 0 HB3 PHE A 46 1.597 1.460 -5.306 1.00 4.03 H new ATOM 0 HD1 PHE A 46 3.291 0.737 -3.562 1.00 25.52 H new ATOM 0 HD2 PHE A 46 -0.394 2.585 -2.448 1.00 11.24 H new ATOM 0 HE1 PHE A 46 3.549 -0.115 -1.279 1.00 24.40 H new ATOM 0 HE2 PHE A 46 -0.130 1.722 -0.168 1.00 23.00 H new ATOM 0 HZ PHE A 46 1.841 0.374 0.423 1.00 53.52 H new ATOM 690 N HIS A 47 0.425 5.360 -4.609 1.00 4.54 N ATOM 691 CA HIS A 47 -0.224 6.495 -3.936 1.00 4.34 C ATOM 692 C HIS A 47 -1.554 6.033 -3.346 1.00 75.11 C ATOM 693 O HIS A 47 -2.292 5.272 -3.976 1.00 41.34 O ATOM 694 CB HIS A 47 -0.447 7.674 -4.920 1.00 70.42 C ATOM 695 CG HIS A 47 0.821 8.361 -5.347 1.00 62.44 C ATOM 696 ND1 HIS A 47 1.178 9.614 -4.918 1.00 55.44 N ATOM 697 CD2 HIS A 47 1.824 7.950 -6.149 1.00 31.53 C ATOM 698 CE1 HIS A 47 2.339 9.942 -5.434 1.00 64.42 C ATOM 699 NE2 HIS A 47 2.760 8.946 -6.183 1.00 50.01 N ATOM 0 H HIS A 47 -0.024 5.099 -5.487 1.00 4.54 H new ATOM 0 HA HIS A 47 0.426 6.852 -3.137 1.00 4.34 H new ATOM 0 HB2 HIS A 47 -0.963 7.303 -5.805 1.00 70.42 H new ATOM 0 HB3 HIS A 47 -1.105 8.406 -4.451 1.00 70.42 H new ATOM 0 HD1 HIS A 47 0.625 10.201 -4.293 1.00 55.44 H new ATOM 0 HD2 HIS A 47 1.878 7.005 -6.670 1.00 31.53 H new ATOM 0 HE1 HIS A 47 2.861 10.873 -5.271 1.00 64.42 H new ATOM 708 N VAL A 48 -1.832 6.514 -2.136 1.00 44.43 N ATOM 709 CA VAL A 48 -3.036 6.208 -1.367 1.00 33.03 C ATOM 710 C VAL A 48 -3.786 7.523 -1.153 1.00 5.21 C ATOM 711 O VAL A 48 -3.195 8.495 -0.694 1.00 74.34 O ATOM 712 CB VAL A 48 -2.681 5.550 0.026 1.00 11.24 C ATOM 713 CG1 VAL A 48 -3.933 5.372 0.923 1.00 70.41 C ATOM 714 CG2 VAL A 48 -1.959 4.196 -0.171 1.00 52.50 C ATOM 0 H VAL A 48 -1.202 7.150 -1.647 1.00 44.43 H new ATOM 0 HA VAL A 48 -3.650 5.490 -1.911 1.00 33.03 H new ATOM 0 HB VAL A 48 -2.006 6.235 0.539 1.00 11.24 H new ATOM 0 HG11 VAL A 48 -3.641 4.917 1.869 1.00 70.41 H new ATOM 0 HG12 VAL A 48 -4.386 6.345 1.113 1.00 70.41 H new ATOM 0 HG13 VAL A 48 -4.654 4.729 0.418 1.00 70.41 H new ATOM 0 HG21 VAL A 48 -1.725 3.763 0.802 1.00 52.50 H new ATOM 0 HG22 VAL A 48 -2.606 3.516 -0.725 1.00 52.50 H new ATOM 0 HG23 VAL A 48 -1.036 4.354 -0.729 1.00 52.50 H new ATOM 724 N PHE A 49 -5.072 7.563 -1.498 1.00 71.22 N ATOM 725 CA PHE A 49 -5.911 8.755 -1.324 1.00 71.54 C ATOM 726 C PHE A 49 -6.981 8.465 -0.284 1.00 15.44 C ATOM 727 O PHE A 49 -7.463 7.328 -0.204 1.00 63.54 O ATOM 728 CB PHE A 49 -6.567 9.158 -2.660 1.00 54.34 C ATOM 729 CG PHE A 49 -5.570 9.668 -3.698 1.00 22.35 C ATOM 730 CD1 PHE A 49 -5.171 11.005 -3.711 1.00 21.21 C ATOM 731 CD2 PHE A 49 -5.035 8.819 -4.660 1.00 75.22 C ATOM 732 CE1 PHE A 49 -4.278 11.466 -4.655 1.00 64.40 C ATOM 733 CE2 PHE A 49 -4.144 9.283 -5.604 1.00 53.30 C ATOM 734 CZ PHE A 49 -3.766 10.606 -5.603 1.00 75.31 C ATOM 0 H PHE A 49 -5.566 6.770 -1.907 1.00 71.22 H new ATOM 0 HA PHE A 49 -5.288 9.584 -0.988 1.00 71.54 H new ATOM 0 HB2 PHE A 49 -7.098 8.298 -3.069 1.00 54.34 H new ATOM 0 HB3 PHE A 49 -7.311 9.932 -2.472 1.00 54.34 H new ATOM 0 HD1 PHE A 49 -5.566 11.687 -2.973 1.00 21.21 H new ATOM 0 HD2 PHE A 49 -5.322 7.778 -4.668 1.00 75.22 H new ATOM 0 HE1 PHE A 49 -3.979 12.504 -4.652 1.00 64.40 H new ATOM 0 HE2 PHE A 49 -3.742 8.608 -6.345 1.00 53.30 H new ATOM 0 HZ PHE A 49 -3.069 10.970 -6.344 1.00 75.31 H new ATOM 744 N ASP A 50 -7.343 9.514 0.489 1.00 62.24 N ATOM 745 CA ASP A 50 -8.413 9.470 1.505 1.00 44.51 C ATOM 746 C ASP A 50 -8.183 8.317 2.488 1.00 31.12 C ATOM 747 O ASP A 50 -8.907 7.334 2.455 1.00 0.20 O ATOM 748 CB ASP A 50 -9.816 9.342 0.837 1.00 71.11 C ATOM 749 CG ASP A 50 -10.178 10.539 -0.041 1.00 32.52 C ATOM 750 OD1 ASP A 50 -10.580 11.585 0.507 1.00 65.23 O ATOM 751 OD2 ASP A 50 -10.059 10.449 -1.284 1.00 54.44 O ATOM 0 H ASP A 50 -6.892 10.426 0.422 1.00 62.24 H new ATOM 0 HA ASP A 50 -8.384 10.408 2.059 1.00 44.51 H new ATOM 0 HB2 ASP A 50 -9.842 8.436 0.232 1.00 71.11 H new ATOM 0 HB3 ASP A 50 -10.572 9.228 1.614 1.00 71.11 H new ATOM 756 N GLN A 51 -7.136 8.434 3.316 1.00 71.10 N ATOM 757 CA GLN A 51 -6.770 7.411 4.317 1.00 22.45 C ATOM 758 C GLN A 51 -7.950 7.035 5.242 1.00 14.43 C ATOM 759 O GLN A 51 -7.988 5.922 5.760 1.00 41.23 O ATOM 760 CB GLN A 51 -5.548 7.894 5.142 1.00 21.35 C ATOM 761 CG GLN A 51 -4.221 7.933 4.347 1.00 53.10 C ATOM 762 CD GLN A 51 -3.008 8.192 5.236 1.00 61.14 C ATOM 763 OE1 GLN A 51 -2.604 9.334 5.446 1.00 62.01 O ATOM 764 NE2 GLN A 51 -2.426 7.126 5.775 1.00 12.32 N ATOM 0 H GLN A 51 -6.514 9.242 3.314 1.00 71.10 H new ATOM 0 HA GLN A 51 -6.503 6.503 3.777 1.00 22.45 H new ATOM 0 HB2 GLN A 51 -5.756 8.892 5.529 1.00 21.35 H new ATOM 0 HB3 GLN A 51 -5.423 7.238 6.003 1.00 21.35 H new ATOM 0 HG2 GLN A 51 -4.088 6.986 3.825 1.00 53.10 H new ATOM 0 HG3 GLN A 51 -4.281 8.711 3.586 1.00 53.10 H new ATOM 0 HE21 GLN A 51 -2.789 6.193 5.579 1.00 12.32 H new ATOM 0 HE22 GLN A 51 -1.617 7.241 6.385 1.00 12.32 H new ATOM 773 N GLY A 52 -8.899 7.974 5.436 1.00 13.22 N ATOM 774 CA GLY A 52 -10.140 7.693 6.149 1.00 11.34 C ATOM 775 C GLY A 52 -11.017 6.673 5.411 1.00 61.21 C ATOM 776 O GLY A 52 -11.395 5.643 5.983 1.00 32.23 O ATOM 0 H GLY A 52 -8.819 8.935 5.103 1.00 13.22 H new ATOM 0 HA2 GLY A 52 -9.907 7.316 7.145 1.00 11.34 H new ATOM 0 HA3 GLY A 52 -10.698 8.620 6.282 1.00 11.34 H new ATOM 780 N GLN A 53 -11.299 6.945 4.120 1.00 51.42 N ATOM 781 CA GLN A 53 -12.194 6.106 3.292 1.00 3.13 C ATOM 782 C GLN A 53 -11.538 4.746 2.985 1.00 71.24 C ATOM 783 O GLN A 53 -12.192 3.702 3.025 1.00 34.05 O ATOM 784 CB GLN A 53 -12.535 6.849 1.972 1.00 60.13 C ATOM 785 CG GLN A 53 -13.559 6.132 1.059 1.00 54.34 C ATOM 786 CD GLN A 53 -14.930 5.932 1.705 1.00 21.42 C ATOM 787 OE1 GLN A 53 -15.368 6.735 2.523 1.00 30.53 O ATOM 788 NE2 GLN A 53 -15.622 4.871 1.336 1.00 70.14 N ATOM 0 H GLN A 53 -10.915 7.749 3.623 1.00 51.42 H new ATOM 0 HA GLN A 53 -13.113 5.921 3.848 1.00 3.13 H new ATOM 0 HB2 GLN A 53 -12.922 7.837 2.220 1.00 60.13 H new ATOM 0 HB3 GLN A 53 -11.613 6.999 1.410 1.00 60.13 H new ATOM 0 HG2 GLN A 53 -13.681 6.709 0.142 1.00 54.34 H new ATOM 0 HG3 GLN A 53 -13.158 5.160 0.773 1.00 54.34 H new ATOM 0 HE21 GLN A 53 -15.233 4.220 0.654 1.00 70.14 H new ATOM 0 HE22 GLN A 53 -16.546 4.702 1.733 1.00 70.14 H new ATOM 797 N PHE A 54 -10.239 4.810 2.669 1.00 42.21 N ATOM 798 CA PHE A 54 -9.367 3.656 2.404 1.00 32.35 C ATOM 799 C PHE A 54 -9.365 2.685 3.601 1.00 24.11 C ATOM 800 O PHE A 54 -9.568 1.484 3.443 1.00 74.52 O ATOM 801 CB PHE A 54 -7.935 4.195 2.096 1.00 75.13 C ATOM 802 CG PHE A 54 -6.842 3.148 1.849 1.00 62.24 C ATOM 803 CD1 PHE A 54 -6.091 2.627 2.905 1.00 51.24 C ATOM 804 CD2 PHE A 54 -6.545 2.703 0.562 1.00 52.32 C ATOM 805 CE1 PHE A 54 -5.096 1.701 2.685 1.00 32.23 C ATOM 806 CE2 PHE A 54 -5.545 1.770 0.350 1.00 41.42 C ATOM 807 CZ PHE A 54 -4.823 1.271 1.409 1.00 3.04 C ATOM 0 H PHE A 54 -9.747 5.700 2.587 1.00 42.21 H new ATOM 0 HA PHE A 54 -9.735 3.092 1.547 1.00 32.35 H new ATOM 0 HB2 PHE A 54 -7.995 4.837 1.217 1.00 75.13 H new ATOM 0 HB3 PHE A 54 -7.622 4.823 2.930 1.00 75.13 H new ATOM 0 HD1 PHE A 54 -6.295 2.957 3.913 1.00 51.24 H new ATOM 0 HD2 PHE A 54 -7.101 3.090 -0.279 1.00 52.32 H new ATOM 0 HE1 PHE A 54 -4.529 1.312 3.518 1.00 32.23 H new ATOM 0 HE2 PHE A 54 -5.330 1.432 -0.653 1.00 41.42 H new ATOM 0 HZ PHE A 54 -4.044 0.543 1.238 1.00 3.04 H new ATOM 817 N ALA A 55 -9.140 3.223 4.800 1.00 21.35 N ATOM 818 CA ALA A 55 -9.159 2.419 6.032 1.00 51.51 C ATOM 819 C ALA A 55 -10.547 1.785 6.296 1.00 32.52 C ATOM 820 O ALA A 55 -10.639 0.680 6.828 1.00 22.12 O ATOM 821 CB ALA A 55 -8.696 3.268 7.223 1.00 44.33 C ATOM 0 H ALA A 55 -8.942 4.212 4.949 1.00 21.35 H new ATOM 0 HA ALA A 55 -8.462 1.591 5.901 1.00 51.51 H new ATOM 0 HB1 ALA A 55 -8.714 2.663 8.130 1.00 44.33 H new ATOM 0 HB2 ALA A 55 -7.681 3.623 7.044 1.00 44.33 H new ATOM 0 HB3 ALA A 55 -9.363 4.121 7.343 1.00 44.33 H new ATOM 827 N LYS A 56 -11.606 2.493 5.877 1.00 22.33 N ATOM 828 CA LYS A 56 -13.007 2.087 6.089 1.00 44.21 C ATOM 829 C LYS A 56 -13.413 0.864 5.231 1.00 64.45 C ATOM 830 O LYS A 56 -14.000 -0.084 5.757 1.00 34.42 O ATOM 831 CB LYS A 56 -13.923 3.336 5.850 1.00 21.42 C ATOM 832 CG LYS A 56 -15.450 3.075 5.690 1.00 54.04 C ATOM 833 CD LYS A 56 -15.900 2.957 4.208 1.00 22.31 C ATOM 834 CE LYS A 56 -17.377 2.560 4.061 1.00 10.41 C ATOM 835 NZ LYS A 56 -18.313 3.574 4.643 1.00 51.43 N ATOM 0 H LYS A 56 -11.514 3.376 5.374 1.00 22.33 H new ATOM 0 HA LYS A 56 -13.132 1.746 7.117 1.00 44.21 H new ATOM 0 HB2 LYS A 56 -13.783 4.023 6.684 1.00 21.42 H new ATOM 0 HB3 LYS A 56 -13.571 3.847 4.954 1.00 21.42 H new ATOM 0 HG2 LYS A 56 -15.712 2.157 6.216 1.00 54.04 H new ATOM 0 HG3 LYS A 56 -16.002 3.885 6.167 1.00 54.04 H new ATOM 0 HD2 LYS A 56 -15.734 3.910 3.706 1.00 22.31 H new ATOM 0 HD3 LYS A 56 -15.278 2.218 3.703 1.00 22.31 H new ATOM 0 HE2 LYS A 56 -17.608 2.424 3.005 1.00 10.41 H new ATOM 0 HE3 LYS A 56 -17.540 1.599 4.550 1.00 10.41 H new ATOM 0 HZ1 LYS A 56 -19.294 3.254 4.515 1.00 51.43 H new ATOM 0 HZ2 LYS A 56 -18.115 3.687 5.658 1.00 51.43 H new ATOM 0 HZ3 LYS A 56 -18.181 4.486 4.161 1.00 51.43 H new ATOM 849 N GLU A 57 -13.120 0.901 3.916 1.00 32.22 N ATOM 850 CA GLU A 57 -13.595 -0.139 2.958 1.00 54.30 C ATOM 851 C GLU A 57 -12.476 -1.070 2.455 1.00 13.34 C ATOM 852 O GLU A 57 -12.694 -2.274 2.280 1.00 52.31 O ATOM 853 CB GLU A 57 -14.296 0.519 1.741 1.00 41.45 C ATOM 854 CG GLU A 57 -13.455 1.591 1.016 1.00 44.50 C ATOM 855 CD GLU A 57 -13.928 1.870 -0.415 1.00 22.22 C ATOM 856 OE1 GLU A 57 -13.471 1.181 -1.341 1.00 62.12 O ATOM 857 OE2 GLU A 57 -14.773 2.755 -0.619 1.00 24.01 O ATOM 0 H GLU A 57 -12.558 1.635 3.485 1.00 32.22 H new ATOM 0 HA GLU A 57 -14.301 -0.754 3.516 1.00 54.30 H new ATOM 0 HB2 GLU A 57 -14.561 -0.260 1.026 1.00 41.45 H new ATOM 0 HB3 GLU A 57 -15.228 0.974 2.077 1.00 41.45 H new ATOM 0 HG2 GLU A 57 -13.489 2.518 1.589 1.00 44.50 H new ATOM 0 HG3 GLU A 57 -12.414 1.270 0.991 1.00 44.50 H new ATOM 864 N VAL A 58 -11.284 -0.515 2.233 1.00 31.25 N ATOM 865 CA VAL A 58 -10.199 -1.192 1.495 1.00 3.33 C ATOM 866 C VAL A 58 -9.414 -2.166 2.405 1.00 54.35 C ATOM 867 O VAL A 58 -9.114 -3.313 2.011 1.00 75.24 O ATOM 868 CB VAL A 58 -9.225 -0.124 0.884 1.00 54.40 C ATOM 869 CG1 VAL A 58 -8.038 -0.782 0.187 1.00 74.30 C ATOM 870 CG2 VAL A 58 -9.959 0.841 -0.079 1.00 44.11 C ATOM 0 H VAL A 58 -11.036 0.419 2.558 1.00 31.25 H new ATOM 0 HA VAL A 58 -10.650 -1.777 0.693 1.00 3.33 H new ATOM 0 HB VAL A 58 -8.842 0.466 1.717 1.00 54.40 H new ATOM 0 HG11 VAL A 58 -7.385 -0.012 -0.224 1.00 74.30 H new ATOM 0 HG12 VAL A 58 -7.482 -1.384 0.906 1.00 74.30 H new ATOM 0 HG13 VAL A 58 -8.398 -1.421 -0.619 1.00 74.30 H new ATOM 0 HG21 VAL A 58 -9.249 1.564 -0.480 1.00 44.11 H new ATOM 0 HG22 VAL A 58 -10.400 0.272 -0.898 1.00 44.11 H new ATOM 0 HG23 VAL A 58 -10.746 1.366 0.462 1.00 44.11 H new ATOM 880 N LEU A 59 -9.070 -1.682 3.614 1.00 50.23 N ATOM 881 CA LEU A 59 -8.325 -2.478 4.603 1.00 52.41 C ATOM 882 C LEU A 59 -9.102 -3.748 5.061 1.00 64.01 C ATOM 883 O LEU A 59 -8.503 -4.812 5.063 1.00 40.54 O ATOM 884 CB LEU A 59 -7.878 -1.621 5.819 1.00 2.13 C ATOM 885 CG LEU A 59 -6.795 -0.541 5.535 1.00 5.41 C ATOM 886 CD1 LEU A 59 -6.352 0.160 6.834 1.00 72.14 C ATOM 887 CD2 LEU A 59 -5.584 -1.142 4.796 1.00 4.41 C ATOM 0 H LEU A 59 -9.298 -0.739 3.928 1.00 50.23 H new ATOM 0 HA LEU A 59 -7.425 -2.826 4.095 1.00 52.41 H new ATOM 0 HB2 LEU A 59 -8.757 -1.125 6.231 1.00 2.13 H new ATOM 0 HB3 LEU A 59 -7.500 -2.292 6.591 1.00 2.13 H new ATOM 0 HG LEU A 59 -7.245 0.209 4.885 1.00 5.41 H new ATOM 0 HD11 LEU A 59 -5.595 0.909 6.603 1.00 72.14 H new ATOM 0 HD12 LEU A 59 -7.212 0.644 7.298 1.00 72.14 H new ATOM 0 HD13 LEU A 59 -5.936 -0.577 7.521 1.00 72.14 H new ATOM 0 HD21 LEU A 59 -4.846 -0.361 4.613 1.00 4.41 H new ATOM 0 HD22 LEU A 59 -5.138 -1.927 5.407 1.00 4.41 H new ATOM 0 HD23 LEU A 59 -5.910 -1.563 3.845 1.00 4.41 H new ATOM 899 N PRO A 60 -10.428 -3.679 5.464 1.00 71.55 N ATOM 900 CA PRO A 60 -11.210 -4.898 5.840 1.00 5.25 C ATOM 901 C PRO A 60 -11.483 -5.838 4.645 1.00 73.14 C ATOM 902 O PRO A 60 -11.881 -6.989 4.841 1.00 60.10 O ATOM 903 CB PRO A 60 -12.528 -4.318 6.414 1.00 64.34 C ATOM 904 CG PRO A 60 -12.659 -2.975 5.764 1.00 23.53 C ATOM 905 CD PRO A 60 -11.253 -2.445 5.637 1.00 40.13 C ATOM 0 HA PRO A 60 -10.666 -5.524 6.547 1.00 5.25 H new ATOM 0 HB2 PRO A 60 -13.379 -4.958 6.179 1.00 64.34 H new ATOM 0 HB3 PRO A 60 -12.484 -4.231 7.500 1.00 64.34 H new ATOM 0 HG2 PRO A 60 -13.136 -3.057 4.787 1.00 23.53 H new ATOM 0 HG3 PRO A 60 -13.276 -2.307 6.365 1.00 23.53 H new ATOM 0 HD2 PRO A 60 -11.153 -1.773 4.785 1.00 40.13 H new ATOM 0 HD3 PRO A 60 -10.954 -1.884 6.522 1.00 40.13 H new ATOM 913 N LYS A 61 -11.286 -5.322 3.418 1.00 33.13 N ATOM 914 CA LYS A 61 -11.462 -6.095 2.185 1.00 3.21 C ATOM 915 C LYS A 61 -10.297 -7.088 1.989 1.00 4.32 C ATOM 916 O LYS A 61 -10.498 -8.308 2.028 1.00 12.42 O ATOM 917 CB LYS A 61 -11.584 -5.127 0.978 1.00 30.21 C ATOM 918 CG LYS A 61 -11.842 -5.800 -0.382 1.00 63.34 C ATOM 919 CD LYS A 61 -11.934 -4.762 -1.527 1.00 40.14 C ATOM 920 CE LYS A 61 -12.126 -5.400 -2.907 1.00 30.22 C ATOM 921 NZ LYS A 61 -12.187 -4.389 -3.981 1.00 54.30 N ATOM 0 H LYS A 61 -11.000 -4.356 3.258 1.00 33.13 H new ATOM 0 HA LYS A 61 -12.379 -6.680 2.258 1.00 3.21 H new ATOM 0 HB2 LYS A 61 -12.394 -4.425 1.177 1.00 30.21 H new ATOM 0 HB3 LYS A 61 -10.666 -4.543 0.908 1.00 30.21 H new ATOM 0 HG2 LYS A 61 -11.041 -6.507 -0.596 1.00 63.34 H new ATOM 0 HG3 LYS A 61 -12.768 -6.373 -0.335 1.00 63.34 H new ATOM 0 HD2 LYS A 61 -12.764 -4.085 -1.328 1.00 40.14 H new ATOM 0 HD3 LYS A 61 -11.026 -4.159 -1.536 1.00 40.14 H new ATOM 0 HE2 LYS A 61 -11.305 -6.090 -3.105 1.00 30.22 H new ATOM 0 HE3 LYS A 61 -13.044 -5.988 -2.910 1.00 30.22 H new ATOM 0 HZ1 LYS A 61 -12.746 -4.760 -4.775 1.00 54.30 H new ATOM 0 HZ2 LYS A 61 -12.634 -3.523 -3.618 1.00 54.30 H new ATOM 0 HZ3 LYS A 61 -11.224 -4.171 -4.308 1.00 54.30 H new ATOM 935 N TYR A 62 -9.076 -6.552 1.791 1.00 2.55 N ATOM 936 CA TYR A 62 -7.868 -7.374 1.502 1.00 74.12 C ATOM 937 C TYR A 62 -7.264 -7.950 2.782 1.00 41.10 C ATOM 938 O TYR A 62 -6.929 -9.137 2.854 1.00 71.12 O ATOM 939 CB TYR A 62 -6.821 -6.536 0.715 1.00 30.21 C ATOM 940 CG TYR A 62 -7.152 -6.439 -0.779 1.00 73.11 C ATOM 941 CD1 TYR A 62 -8.192 -5.634 -1.225 1.00 30.21 C ATOM 942 CD2 TYR A 62 -6.450 -7.182 -1.730 1.00 13.43 C ATOM 943 CE1 TYR A 62 -8.517 -5.565 -2.559 1.00 1.21 C ATOM 944 CE2 TYR A 62 -6.774 -7.121 -3.066 1.00 63.40 C ATOM 945 CZ TYR A 62 -7.807 -6.309 -3.478 1.00 2.44 C ATOM 946 OH TYR A 62 -8.133 -6.258 -4.808 1.00 42.04 O ATOM 0 H TYR A 62 -8.893 -5.549 1.825 1.00 2.55 H new ATOM 0 HA TYR A 62 -8.172 -8.217 0.881 1.00 74.12 H new ATOM 0 HB2 TYR A 62 -6.770 -5.533 1.139 1.00 30.21 H new ATOM 0 HB3 TYR A 62 -5.835 -6.984 0.837 1.00 30.21 H new ATOM 0 HD1 TYR A 62 -8.756 -5.052 -0.511 1.00 30.21 H new ATOM 0 HD2 TYR A 62 -5.637 -7.817 -1.411 1.00 13.43 H new ATOM 0 HE1 TYR A 62 -9.327 -4.930 -2.887 1.00 1.21 H new ATOM 0 HE2 TYR A 62 -6.222 -7.706 -3.787 1.00 63.40 H new ATOM 0 HH TYR A 62 -7.331 -6.421 -5.348 1.00 42.04 H new ATOM 956 N PHE A 63 -7.130 -7.092 3.782 1.00 62.33 N ATOM 957 CA PHE A 63 -6.625 -7.466 5.112 1.00 51.14 C ATOM 958 C PHE A 63 -7.862 -7.664 6.014 1.00 62.05 C ATOM 959 O PHE A 63 -8.990 -7.652 5.510 1.00 51.42 O ATOM 960 CB PHE A 63 -5.669 -6.346 5.626 1.00 32.52 C ATOM 961 CG PHE A 63 -4.716 -5.815 4.545 1.00 73.04 C ATOM 962 CD1 PHE A 63 -3.573 -6.525 4.180 1.00 1.52 C ATOM 963 CD2 PHE A 63 -4.991 -4.623 3.868 1.00 31.14 C ATOM 964 CE1 PHE A 63 -2.739 -6.054 3.182 1.00 43.52 C ATOM 965 CE2 PHE A 63 -4.158 -4.161 2.867 1.00 74.44 C ATOM 966 CZ PHE A 63 -3.031 -4.878 2.525 1.00 1.12 C ATOM 0 H PHE A 63 -7.369 -6.104 3.701 1.00 62.33 H new ATOM 0 HA PHE A 63 -6.044 -8.388 5.101 1.00 51.14 H new ATOM 0 HB2 PHE A 63 -6.265 -5.519 6.013 1.00 32.52 H new ATOM 0 HB3 PHE A 63 -5.082 -6.733 6.459 1.00 32.52 H new ATOM 0 HD1 PHE A 63 -3.336 -7.452 4.681 1.00 1.52 H new ATOM 0 HD2 PHE A 63 -5.870 -4.053 4.132 1.00 31.14 H new ATOM 0 HE1 PHE A 63 -1.853 -6.611 2.916 1.00 43.52 H new ATOM 0 HE2 PHE A 63 -4.389 -3.240 2.353 1.00 74.44 H new ATOM 0 HZ PHE A 63 -2.378 -4.519 1.743 1.00 1.12 H new ATOM 976 N LYS A 64 -7.694 -7.839 7.337 1.00 72.13 N ATOM 977 CA LYS A 64 -8.845 -8.029 8.259 1.00 52.12 C ATOM 978 C LYS A 64 -8.729 -7.062 9.443 1.00 64.14 C ATOM 979 O LYS A 64 -8.494 -7.462 10.588 1.00 31.52 O ATOM 980 CB LYS A 64 -8.999 -9.527 8.704 1.00 22.42 C ATOM 981 CG LYS A 64 -9.278 -10.507 7.535 1.00 0.31 C ATOM 982 CD LYS A 64 -10.569 -10.153 6.743 1.00 42.34 C ATOM 983 CE LYS A 64 -10.688 -10.922 5.412 1.00 34.44 C ATOM 984 NZ LYS A 64 -10.900 -12.384 5.610 1.00 33.12 N ATOM 0 H LYS A 64 -6.783 -7.854 7.796 1.00 72.13 H new ATOM 0 HA LYS A 64 -9.765 -7.790 7.726 1.00 52.12 H new ATOM 0 HB2 LYS A 64 -8.089 -9.839 9.216 1.00 22.42 H new ATOM 0 HB3 LYS A 64 -9.812 -9.599 9.427 1.00 22.42 H new ATOM 0 HG2 LYS A 64 -8.427 -10.503 6.854 1.00 0.31 H new ATOM 0 HG3 LYS A 64 -9.366 -11.519 7.929 1.00 0.31 H new ATOM 0 HD2 LYS A 64 -11.440 -10.371 7.362 1.00 42.34 H new ATOM 0 HD3 LYS A 64 -10.582 -9.082 6.540 1.00 42.34 H new ATOM 0 HE2 LYS A 64 -11.517 -10.514 4.834 1.00 34.44 H new ATOM 0 HE3 LYS A 64 -9.783 -10.766 4.825 1.00 34.44 H new ATOM 0 HZ1 LYS A 64 -10.973 -12.853 4.684 1.00 33.12 H new ATOM 0 HZ2 LYS A 64 -10.097 -12.783 6.138 1.00 33.12 H new ATOM 0 HZ3 LYS A 64 -11.778 -12.538 6.146 1.00 33.12 H new ATOM 998 N HIS A 65 -8.825 -5.763 9.108 1.00 62.33 N ATOM 999 CA HIS A 65 -8.868 -4.643 10.078 1.00 31.33 C ATOM 1000 C HIS A 65 -9.325 -3.372 9.347 1.00 35.32 C ATOM 1001 O HIS A 65 -9.243 -3.303 8.131 1.00 0.34 O ATOM 1002 CB HIS A 65 -7.476 -4.399 10.728 1.00 71.21 C ATOM 1003 CG HIS A 65 -6.395 -3.989 9.749 1.00 70.43 C ATOM 1004 ND1 HIS A 65 -5.822 -2.734 9.727 1.00 51.34 N ATOM 1005 CD2 HIS A 65 -5.797 -4.681 8.751 1.00 21.24 C ATOM 1006 CE1 HIS A 65 -4.928 -2.681 8.757 1.00 53.04 C ATOM 1007 NE2 HIS A 65 -4.893 -3.847 8.150 1.00 75.51 N ATOM 0 H HIS A 65 -8.876 -5.451 8.138 1.00 62.33 H new ATOM 0 HA HIS A 65 -9.568 -4.899 10.874 1.00 31.33 H new ATOM 0 HB2 HIS A 65 -7.574 -3.625 11.489 1.00 71.21 H new ATOM 0 HB3 HIS A 65 -7.162 -5.309 11.238 1.00 71.21 H new ATOM 0 HD1 HIS A 65 -6.053 -1.968 10.360 1.00 51.34 H new ATOM 0 HD2 HIS A 65 -5.997 -5.707 8.478 1.00 21.24 H new ATOM 0 HE1 HIS A 65 -4.325 -1.822 8.504 1.00 53.04 H new ATOM 1016 N ASN A 66 -9.762 -2.351 10.094 1.00 33.50 N ATOM 1017 CA ASN A 66 -10.138 -1.036 9.514 1.00 64.44 C ATOM 1018 C ASN A 66 -9.170 0.055 9.995 1.00 54.21 C ATOM 1019 O ASN A 66 -9.255 1.204 9.553 1.00 72.33 O ATOM 1020 CB ASN A 66 -11.593 -0.633 9.880 1.00 12.23 C ATOM 1021 CG ASN A 66 -12.643 -1.654 9.476 1.00 51.11 C ATOM 1022 OD1 ASN A 66 -12.892 -2.626 10.184 1.00 70.42 O ATOM 1023 ND2 ASN A 66 -13.313 -1.406 8.370 1.00 13.24 N ATOM 0 H ASN A 66 -9.868 -2.401 11.107 1.00 33.50 H new ATOM 0 HA ASN A 66 -10.077 -1.134 8.430 1.00 64.44 H new ATOM 0 HB2 ASN A 66 -11.654 -0.473 10.956 1.00 12.23 H new ATOM 0 HB3 ASN A 66 -11.825 0.319 9.402 1.00 12.23 H new ATOM 0 HD21 ASN A 66 -14.065 -2.031 8.078 1.00 13.24 H new ATOM 0 HD22 ASN A 66 -13.080 -0.589 7.805 1.00 13.24 H new ATOM 1030 N ASN A 67 -8.261 -0.311 10.917 1.00 74.32 N ATOM 1031 CA ASN A 67 -7.324 0.638 11.538 1.00 11.10 C ATOM 1032 C ASN A 67 -6.193 1.010 10.554 1.00 22.23 C ATOM 1033 O ASN A 67 -5.383 0.152 10.183 1.00 24.12 O ATOM 1034 CB ASN A 67 -6.753 0.049 12.854 1.00 31.31 C ATOM 1035 CG ASN A 67 -5.934 1.053 13.668 1.00 74.12 C ATOM 1036 OD1 ASN A 67 -4.716 1.132 13.547 1.00 5.00 O ATOM 1037 ND2 ASN A 67 -6.603 1.852 14.486 1.00 13.42 N ATOM 0 H ASN A 67 -8.157 -1.269 11.250 1.00 74.32 H new ATOM 0 HA ASN A 67 -7.864 1.552 11.784 1.00 11.10 H new ATOM 0 HB2 ASN A 67 -7.577 -0.317 13.466 1.00 31.31 H new ATOM 0 HB3 ASN A 67 -6.127 -0.811 12.616 1.00 31.31 H new ATOM 0 HD21 ASN A 67 -6.105 2.554 15.034 1.00 13.42 H new ATOM 0 HD22 ASN A 67 -7.616 1.765 14.568 1.00 13.42 H new ATOM 1044 N MET A 68 -6.193 2.285 10.122 1.00 32.14 N ATOM 1045 CA MET A 68 -5.189 2.879 9.210 1.00 34.30 C ATOM 1046 C MET A 68 -3.767 2.733 9.763 1.00 25.53 C ATOM 1047 O MET A 68 -2.857 2.276 9.058 1.00 14.42 O ATOM 1048 CB MET A 68 -5.520 4.387 8.982 1.00 42.13 C ATOM 1049 CG MET A 68 -4.581 5.164 8.022 1.00 32.34 C ATOM 1050 SD MET A 68 -4.940 4.917 6.262 1.00 44.25 S ATOM 1051 CE MET A 68 -4.153 3.371 5.859 1.00 13.13 C ATOM 0 H MET A 68 -6.911 2.952 10.404 1.00 32.14 H new ATOM 0 HA MET A 68 -5.232 2.343 8.262 1.00 34.30 H new ATOM 0 HB2 MET A 68 -6.537 4.459 8.597 1.00 42.13 H new ATOM 0 HB3 MET A 68 -5.510 4.889 9.950 1.00 42.13 H new ATOM 0 HG2 MET A 68 -4.649 6.228 8.249 1.00 32.34 H new ATOM 0 HG3 MET A 68 -3.552 4.862 8.216 1.00 32.34 H new ATOM 0 HE1 MET A 68 -3.410 3.534 5.078 1.00 13.13 H new ATOM 0 HE2 MET A 68 -3.665 2.969 6.747 1.00 13.13 H new ATOM 0 HE3 MET A 68 -4.902 2.663 5.505 1.00 13.13 H new ATOM 1061 N ALA A 69 -3.606 3.102 11.047 1.00 62.44 N ATOM 1062 CA ALA A 69 -2.310 3.081 11.746 1.00 63.43 C ATOM 1063 C ALA A 69 -1.674 1.675 11.774 1.00 75.12 C ATOM 1064 O ALA A 69 -0.451 1.552 11.809 1.00 73.23 O ATOM 1065 CB ALA A 69 -2.486 3.617 13.172 1.00 14.31 C ATOM 0 H ALA A 69 -4.377 3.425 11.631 1.00 62.44 H new ATOM 0 HA ALA A 69 -1.626 3.723 11.191 1.00 63.43 H new ATOM 0 HB1 ALA A 69 -1.526 3.601 13.688 1.00 14.31 H new ATOM 0 HB2 ALA A 69 -2.859 4.640 13.133 1.00 14.31 H new ATOM 0 HB3 ALA A 69 -3.198 2.991 13.711 1.00 14.31 H new ATOM 1071 N SER A 70 -2.525 0.632 11.777 1.00 12.11 N ATOM 1072 CA SER A 70 -2.091 -0.775 11.764 1.00 5.43 C ATOM 1073 C SER A 70 -1.435 -1.148 10.412 1.00 75.03 C ATOM 1074 O SER A 70 -0.417 -1.843 10.389 1.00 21.52 O ATOM 1075 CB SER A 70 -3.309 -1.677 12.054 1.00 72.30 C ATOM 1076 OG SER A 70 -2.966 -3.046 12.095 1.00 3.43 O ATOM 0 H SER A 70 -3.539 0.744 11.789 1.00 12.11 H new ATOM 0 HA SER A 70 -1.337 -0.924 12.537 1.00 5.43 H new ATOM 0 HB2 SER A 70 -3.754 -1.388 13.006 1.00 72.30 H new ATOM 0 HB3 SER A 70 -4.067 -1.518 11.287 1.00 72.30 H new ATOM 0 HG SER A 70 -3.767 -3.578 12.283 1.00 3.43 H new ATOM 1082 N PHE A 71 -2.034 -0.663 9.306 1.00 61.03 N ATOM 1083 CA PHE A 71 -1.522 -0.874 7.929 1.00 63.31 C ATOM 1084 C PHE A 71 -0.129 -0.240 7.785 1.00 62.44 C ATOM 1085 O PHE A 71 0.825 -0.878 7.318 1.00 51.34 O ATOM 1086 CB PHE A 71 -2.526 -0.254 6.909 1.00 65.24 C ATOM 1087 CG PHE A 71 -2.089 -0.265 5.431 1.00 0.22 C ATOM 1088 CD1 PHE A 71 -1.975 -1.463 4.726 1.00 42.23 C ATOM 1089 CD2 PHE A 71 -1.818 0.926 4.746 1.00 34.23 C ATOM 1090 CE1 PHE A 71 -1.601 -1.469 3.391 1.00 60.12 C ATOM 1091 CE2 PHE A 71 -1.445 0.914 3.414 1.00 3.04 C ATOM 1092 CZ PHE A 71 -1.336 -0.283 2.738 1.00 4.05 C ATOM 0 H PHE A 71 -2.891 -0.111 9.339 1.00 61.03 H new ATOM 0 HA PHE A 71 -1.430 -1.941 7.727 1.00 63.31 H new ATOM 0 HB2 PHE A 71 -3.472 -0.790 6.991 1.00 65.24 H new ATOM 0 HB3 PHE A 71 -2.718 0.778 7.202 1.00 65.24 H new ATOM 0 HD1 PHE A 71 -2.181 -2.398 5.226 1.00 42.23 H new ATOM 0 HD2 PHE A 71 -1.902 1.869 5.266 1.00 34.23 H new ATOM 0 HE1 PHE A 71 -1.517 -2.406 2.860 1.00 60.12 H new ATOM 0 HE2 PHE A 71 -1.239 1.843 2.903 1.00 3.04 H new ATOM 0 HZ PHE A 71 -1.043 -0.292 1.698 1.00 4.05 H new ATOM 1102 N VAL A 72 -0.041 1.020 8.223 1.00 54.33 N ATOM 1103 CA VAL A 72 1.185 1.825 8.177 1.00 22.23 C ATOM 1104 C VAL A 72 2.288 1.235 9.096 1.00 14.31 C ATOM 1105 O VAL A 72 3.473 1.273 8.748 1.00 72.15 O ATOM 1106 CB VAL A 72 0.850 3.305 8.582 1.00 23.45 C ATOM 1107 CG1 VAL A 72 2.086 4.226 8.503 1.00 64.54 C ATOM 1108 CG2 VAL A 72 -0.305 3.864 7.711 1.00 43.34 C ATOM 0 H VAL A 72 -0.834 1.519 8.627 1.00 54.33 H new ATOM 0 HA VAL A 72 1.575 1.809 7.159 1.00 22.23 H new ATOM 0 HB VAL A 72 0.528 3.287 9.623 1.00 23.45 H new ATOM 0 HG11 VAL A 72 1.804 5.239 8.792 1.00 64.54 H new ATOM 0 HG12 VAL A 72 2.858 3.857 9.178 1.00 64.54 H new ATOM 0 HG13 VAL A 72 2.470 4.233 7.483 1.00 64.54 H new ATOM 0 HG21 VAL A 72 -0.521 4.890 8.008 1.00 43.34 H new ATOM 0 HG22 VAL A 72 -0.012 3.844 6.661 1.00 43.34 H new ATOM 0 HG23 VAL A 72 -1.195 3.251 7.850 1.00 43.34 H new ATOM 1118 N ARG A 73 1.871 0.665 10.251 1.00 45.34 N ATOM 1119 CA ARG A 73 2.785 0.034 11.233 1.00 73.52 C ATOM 1120 C ARG A 73 3.544 -1.146 10.600 1.00 1.23 C ATOM 1121 O ARG A 73 4.753 -1.306 10.809 1.00 15.41 O ATOM 1122 CB ARG A 73 1.995 -0.449 12.482 1.00 65.12 C ATOM 1123 CG ARG A 73 2.859 -1.088 13.594 1.00 11.51 C ATOM 1124 CD ARG A 73 2.035 -1.559 14.803 1.00 4.25 C ATOM 1125 NE ARG A 73 1.279 -0.463 15.441 1.00 54.21 N ATOM 1126 CZ ARG A 73 0.965 -0.387 16.748 1.00 25.03 C ATOM 1127 NH1 ARG A 73 1.341 -1.340 17.604 1.00 34.11 N ATOM 1128 NH2 ARG A 73 0.282 0.654 17.182 1.00 52.52 N ATOM 0 H ARG A 73 0.890 0.630 10.529 1.00 45.34 H new ATOM 0 HA ARG A 73 3.512 0.784 11.544 1.00 73.52 H new ATOM 0 HB2 ARG A 73 1.457 0.400 12.904 1.00 65.12 H new ATOM 0 HB3 ARG A 73 1.247 -1.174 12.162 1.00 65.12 H new ATOM 0 HG2 ARG A 73 3.403 -1.937 13.180 1.00 11.51 H new ATOM 0 HG3 ARG A 73 3.603 -0.365 13.928 1.00 11.51 H new ATOM 0 HD2 ARG A 73 1.340 -2.336 14.483 1.00 4.25 H new ATOM 0 HD3 ARG A 73 2.702 -2.010 15.538 1.00 4.25 H new ATOM 0 HE ARG A 73 0.968 0.301 14.841 1.00 54.21 H new ATOM 0 HH11 ARG A 73 1.875 -2.143 17.271 1.00 34.11 H new ATOM 0 HH12 ARG A 73 1.094 -1.265 18.591 1.00 34.11 H new ATOM 0 HH21 ARG A 73 -0.000 1.386 16.531 1.00 52.52 H new ATOM 0 HH22 ARG A 73 0.036 0.727 18.169 1.00 52.52 H new ATOM 1142 N GLN A 74 2.812 -1.961 9.813 1.00 11.13 N ATOM 1143 CA GLN A 74 3.388 -3.114 9.103 1.00 53.34 C ATOM 1144 C GLN A 74 4.403 -2.644 8.054 1.00 31.25 C ATOM 1145 O GLN A 74 5.504 -3.195 7.967 1.00 63.31 O ATOM 1146 CB GLN A 74 2.273 -3.961 8.434 1.00 1.31 C ATOM 1147 CG GLN A 74 1.219 -4.543 9.399 1.00 3.44 C ATOM 1148 CD GLN A 74 1.819 -5.429 10.491 1.00 13.32 C ATOM 1149 OE1 GLN A 74 1.999 -6.632 10.308 1.00 41.14 O ATOM 1150 NE2 GLN A 74 2.130 -4.837 11.632 1.00 61.41 N ATOM 0 H GLN A 74 1.812 -1.837 9.655 1.00 11.13 H new ATOM 0 HA GLN A 74 3.904 -3.740 9.831 1.00 53.34 H new ATOM 0 HB2 GLN A 74 1.763 -3.342 7.695 1.00 1.31 H new ATOM 0 HB3 GLN A 74 2.740 -4.784 7.893 1.00 1.31 H new ATOM 0 HG2 GLN A 74 0.673 -3.723 9.866 1.00 3.44 H new ATOM 0 HG3 GLN A 74 0.495 -5.124 8.827 1.00 3.44 H new ATOM 0 HE21 GLN A 74 1.967 -3.837 11.749 1.00 61.41 H new ATOM 0 HE22 GLN A 74 2.533 -5.381 12.395 1.00 61.41 H new ATOM 1159 N LEU A 75 4.032 -1.606 7.278 1.00 71.13 N ATOM 1160 CA LEU A 75 4.877 -1.060 6.197 1.00 24.30 C ATOM 1161 C LEU A 75 6.187 -0.468 6.739 1.00 50.13 C ATOM 1162 O LEU A 75 7.212 -0.549 6.071 1.00 61.44 O ATOM 1163 CB LEU A 75 4.081 -0.017 5.378 1.00 10.11 C ATOM 1164 CG LEU A 75 2.947 -0.614 4.490 1.00 22.44 C ATOM 1165 CD1 LEU A 75 2.061 0.481 3.904 1.00 63.24 C ATOM 1166 CD2 LEU A 75 3.521 -1.505 3.367 1.00 71.31 C ATOM 0 H LEU A 75 3.140 -1.123 7.383 1.00 71.13 H new ATOM 0 HA LEU A 75 5.156 -1.881 5.536 1.00 24.30 H new ATOM 0 HB2 LEU A 75 3.643 0.707 6.065 1.00 10.11 H new ATOM 0 HB3 LEU A 75 4.775 0.529 4.739 1.00 10.11 H new ATOM 0 HG LEU A 75 2.329 -1.238 5.136 1.00 22.44 H new ATOM 0 HD11 LEU A 75 1.281 0.029 3.291 1.00 63.24 H new ATOM 0 HD12 LEU A 75 1.602 1.050 4.713 1.00 63.24 H new ATOM 0 HD13 LEU A 75 2.665 1.148 3.289 1.00 63.24 H new ATOM 0 HD21 LEU A 75 2.704 -1.905 2.767 1.00 71.31 H new ATOM 0 HD22 LEU A 75 4.180 -0.912 2.733 1.00 71.31 H new ATOM 0 HD23 LEU A 75 4.084 -2.328 3.807 1.00 71.31 H new ATOM 1178 N ASN A 76 6.137 0.126 7.947 1.00 24.53 N ATOM 1179 CA ASN A 76 7.345 0.574 8.683 1.00 15.33 C ATOM 1180 C ASN A 76 8.338 -0.593 8.890 1.00 12.12 C ATOM 1181 O ASN A 76 9.554 -0.416 8.757 1.00 11.43 O ATOM 1182 CB ASN A 76 6.950 1.189 10.055 1.00 52.25 C ATOM 1183 CG ASN A 76 6.155 2.496 9.951 1.00 33.02 C ATOM 1184 OD1 ASN A 76 6.353 3.297 9.031 1.00 71.43 O ATOM 1185 ND2 ASN A 76 5.251 2.718 10.894 1.00 42.11 N ATOM 0 H ASN A 76 5.264 0.310 8.442 1.00 24.53 H new ATOM 0 HA ASN A 76 7.837 1.338 8.081 1.00 15.33 H new ATOM 0 HB2 ASN A 76 6.359 0.461 10.611 1.00 52.25 H new ATOM 0 HB3 ASN A 76 7.856 1.373 10.633 1.00 52.25 H new ATOM 0 HD21 ASN A 76 4.693 3.572 10.875 1.00 42.11 H new ATOM 0 HD22 ASN A 76 5.113 2.035 11.639 1.00 42.11 H new ATOM 1192 N MET A 77 7.792 -1.785 9.199 1.00 52.32 N ATOM 1193 CA MET A 77 8.589 -3.017 9.396 1.00 31.34 C ATOM 1194 C MET A 77 9.042 -3.615 8.043 1.00 14.43 C ATOM 1195 O MET A 77 10.026 -4.359 7.986 1.00 0.32 O ATOM 1196 CB MET A 77 7.775 -4.072 10.187 1.00 63.22 C ATOM 1197 CG MET A 77 7.252 -3.597 11.551 1.00 34.40 C ATOM 1198 SD MET A 77 6.528 -4.941 12.520 1.00 12.44 S ATOM 1199 CE MET A 77 5.381 -5.651 11.350 1.00 43.40 C ATOM 0 H MET A 77 6.789 -1.924 9.319 1.00 52.32 H new ATOM 0 HA MET A 77 9.476 -2.746 9.968 1.00 31.34 H new ATOM 0 HB2 MET A 77 6.927 -4.386 9.579 1.00 63.22 H new ATOM 0 HB3 MET A 77 8.400 -4.952 10.340 1.00 63.22 H new ATOM 0 HG2 MET A 77 8.070 -3.147 12.114 1.00 34.40 H new ATOM 0 HG3 MET A 77 6.504 -2.819 11.399 1.00 34.40 H new ATOM 0 HE1 MET A 77 4.501 -6.016 11.879 1.00 43.40 H new ATOM 0 HE2 MET A 77 5.081 -4.892 10.628 1.00 43.40 H new ATOM 0 HE3 MET A 77 5.860 -6.479 10.828 1.00 43.40 H new ATOM 1209 N TYR A 78 8.301 -3.298 6.967 1.00 30.22 N ATOM 1210 CA TYR A 78 8.667 -3.694 5.591 1.00 25.02 C ATOM 1211 C TYR A 78 9.633 -2.662 4.954 1.00 33.23 C ATOM 1212 O TYR A 78 10.173 -2.899 3.868 1.00 24.31 O ATOM 1213 CB TYR A 78 7.389 -3.879 4.727 1.00 0.45 C ATOM 1214 CG TYR A 78 6.548 -5.125 5.080 1.00 24.20 C ATOM 1215 CD1 TYR A 78 7.070 -6.413 4.919 1.00 72.22 C ATOM 1216 CD2 TYR A 78 5.238 -5.017 5.548 1.00 65.31 C ATOM 1217 CE1 TYR A 78 6.317 -7.533 5.215 1.00 54.23 C ATOM 1218 CE2 TYR A 78 4.488 -6.132 5.851 1.00 72.04 C ATOM 1219 CZ TYR A 78 5.027 -7.385 5.680 1.00 51.44 C ATOM 1220 OH TYR A 78 4.269 -8.497 5.970 1.00 65.43 O ATOM 0 H TYR A 78 7.435 -2.762 7.023 1.00 30.22 H new ATOM 0 HA TYR A 78 9.191 -4.649 5.633 1.00 25.02 H new ATOM 0 HB2 TYR A 78 6.763 -2.993 4.833 1.00 0.45 H new ATOM 0 HB3 TYR A 78 7.681 -3.939 3.679 1.00 0.45 H new ATOM 0 HD1 TYR A 78 8.080 -6.534 4.557 1.00 72.22 H new ATOM 0 HD2 TYR A 78 4.802 -4.037 5.676 1.00 65.31 H new ATOM 0 HE1 TYR A 78 6.736 -8.519 5.083 1.00 54.23 H new ATOM 0 HE2 TYR A 78 3.480 -6.022 6.222 1.00 72.04 H new ATOM 0 HH TYR A 78 3.380 -8.217 6.272 1.00 65.43 H new ATOM 1230 N GLY A 79 9.844 -1.517 5.635 1.00 40.01 N ATOM 1231 CA GLY A 79 10.830 -0.520 5.212 1.00 13.22 C ATOM 1232 C GLY A 79 10.310 0.487 4.191 1.00 11.30 C ATOM 1233 O GLY A 79 11.107 1.120 3.487 1.00 11.12 O ATOM 0 H GLY A 79 9.338 -1.266 6.484 1.00 40.01 H new ATOM 0 HA2 GLY A 79 11.182 0.021 6.091 1.00 13.22 H new ATOM 0 HA3 GLY A 79 11.692 -1.036 4.789 1.00 13.22 H new ATOM 1237 N PHE A 80 8.980 0.653 4.112 1.00 34.04 N ATOM 1238 CA PHE A 80 8.337 1.642 3.218 1.00 44.21 C ATOM 1239 C PHE A 80 8.356 3.019 3.901 1.00 51.03 C ATOM 1240 O PHE A 80 8.217 3.110 5.127 1.00 23.11 O ATOM 1241 CB PHE A 80 6.867 1.237 2.880 1.00 14.55 C ATOM 1242 CG PHE A 80 6.726 0.057 1.913 1.00 61.31 C ATOM 1243 CD1 PHE A 80 7.141 -1.224 2.277 1.00 4.53 C ATOM 1244 CD2 PHE A 80 6.158 0.230 0.646 1.00 32.22 C ATOM 1245 CE1 PHE A 80 6.996 -2.290 1.410 1.00 23.33 C ATOM 1246 CE2 PHE A 80 6.018 -0.836 -0.218 1.00 30.42 C ATOM 1247 CZ PHE A 80 6.435 -2.097 0.165 1.00 13.42 C ATOM 0 H PHE A 80 8.317 0.108 4.663 1.00 34.04 H new ATOM 0 HA PHE A 80 8.894 1.678 2.282 1.00 44.21 H new ATOM 0 HB2 PHE A 80 6.352 0.990 3.808 1.00 14.55 H new ATOM 0 HB3 PHE A 80 6.357 2.100 2.452 1.00 14.55 H new ATOM 0 HD1 PHE A 80 7.582 -1.385 3.250 1.00 4.53 H new ATOM 0 HD2 PHE A 80 5.825 1.211 0.341 1.00 32.22 H new ATOM 0 HE1 PHE A 80 7.322 -3.276 1.708 1.00 23.33 H new ATOM 0 HE2 PHE A 80 5.582 -0.685 -1.195 1.00 30.42 H new ATOM 0 HZ PHE A 80 6.321 -2.932 -0.511 1.00 13.42 H new ATOM 1257 N ARG A 81 8.518 4.084 3.102 1.00 4.05 N ATOM 1258 CA ARG A 81 8.567 5.462 3.610 1.00 32.31 C ATOM 1259 C ARG A 81 7.225 6.168 3.362 1.00 21.44 C ATOM 1260 O ARG A 81 6.706 6.140 2.243 1.00 45.23 O ATOM 1261 CB ARG A 81 9.715 6.264 2.941 1.00 73.43 C ATOM 1262 CG ARG A 81 9.836 7.728 3.440 1.00 23.31 C ATOM 1263 CD ARG A 81 11.010 8.495 2.818 1.00 63.22 C ATOM 1264 NE ARG A 81 12.321 7.913 3.162 1.00 75.50 N ATOM 1265 CZ ARG A 81 13.472 8.602 3.300 1.00 60.23 C ATOM 1266 NH1 ARG A 81 13.507 9.925 3.130 1.00 41.11 N ATOM 1267 NH2 ARG A 81 14.580 7.955 3.607 1.00 31.42 N ATOM 0 H ARG A 81 8.618 4.014 2.089 1.00 4.05 H new ATOM 0 HA ARG A 81 8.758 5.418 4.682 1.00 32.31 H new ATOM 0 HB2 ARG A 81 10.658 5.750 3.124 1.00 73.43 H new ATOM 0 HB3 ARG A 81 9.559 6.270 1.862 1.00 73.43 H new ATOM 0 HG2 ARG A 81 8.909 8.257 3.217 1.00 23.31 H new ATOM 0 HG3 ARG A 81 9.949 7.725 4.524 1.00 23.31 H new ATOM 0 HD2 ARG A 81 10.896 8.507 1.734 1.00 63.22 H new ATOM 0 HD3 ARG A 81 10.979 9.532 3.153 1.00 63.22 H new ATOM 0 HE ARG A 81 12.360 6.904 3.308 1.00 75.50 H new ATOM 0 HH11 ARG A 81 12.654 10.431 2.892 1.00 41.11 H new ATOM 0 HH12 ARG A 81 14.387 10.430 3.238 1.00 41.11 H new ATOM 0 HH21 ARG A 81 14.560 6.944 3.738 1.00 31.42 H new ATOM 0 HH22 ARG A 81 15.456 8.466 3.714 1.00 31.42 H new ATOM 1281 N LYS A 82 6.687 6.780 4.430 1.00 73.41 N ATOM 1282 CA LYS A 82 5.534 7.690 4.373 1.00 11.24 C ATOM 1283 C LYS A 82 5.958 8.984 3.648 1.00 22.42 C ATOM 1284 O LYS A 82 6.883 9.667 4.101 1.00 44.24 O ATOM 1285 CB LYS A 82 5.095 8.010 5.836 1.00 52.01 C ATOM 1286 CG LYS A 82 4.017 9.110 6.008 1.00 32.20 C ATOM 1287 CD LYS A 82 2.608 8.680 5.541 1.00 74.22 C ATOM 1288 CE LYS A 82 1.561 9.800 5.734 1.00 61.50 C ATOM 1289 NZ LYS A 82 0.174 9.370 5.415 1.00 62.22 N ATOM 0 H LYS A 82 7.049 6.653 5.375 1.00 73.41 H new ATOM 0 HA LYS A 82 4.703 7.236 3.832 1.00 11.24 H new ATOM 0 HB2 LYS A 82 4.721 7.092 6.289 1.00 52.01 H new ATOM 0 HB3 LYS A 82 5.979 8.307 6.401 1.00 52.01 H new ATOM 0 HG2 LYS A 82 3.969 9.398 7.058 1.00 32.20 H new ATOM 0 HG3 LYS A 82 4.321 9.994 5.448 1.00 32.20 H new ATOM 0 HD2 LYS A 82 2.646 8.398 4.489 1.00 74.22 H new ATOM 0 HD3 LYS A 82 2.297 7.795 6.097 1.00 74.22 H new ATOM 0 HE2 LYS A 82 1.598 10.148 6.766 1.00 61.50 H new ATOM 0 HE3 LYS A 82 1.825 10.648 5.102 1.00 61.50 H new ATOM 0 HZ1 LYS A 82 -0.499 10.080 5.768 1.00 62.22 H new ATOM 0 HZ2 LYS A 82 0.068 9.275 4.385 1.00 62.22 H new ATOM 0 HZ3 LYS A 82 -0.019 8.454 5.869 1.00 62.22 H new ATOM 1303 N VAL A 83 5.318 9.297 2.511 1.00 1.20 N ATOM 1304 CA VAL A 83 5.569 10.543 1.761 1.00 0.40 C ATOM 1305 C VAL A 83 4.241 11.301 1.608 1.00 25.31 C ATOM 1306 O VAL A 83 3.304 10.798 0.980 1.00 73.24 O ATOM 1307 CB VAL A 83 6.200 10.253 0.348 1.00 1.23 C ATOM 1308 CG1 VAL A 83 6.505 11.558 -0.424 1.00 13.13 C ATOM 1309 CG2 VAL A 83 7.473 9.388 0.475 1.00 41.32 C ATOM 0 H VAL A 83 4.613 8.696 2.084 1.00 1.20 H new ATOM 0 HA VAL A 83 6.286 11.149 2.315 1.00 0.40 H new ATOM 0 HB VAL A 83 5.460 9.695 -0.225 1.00 1.23 H new ATOM 0 HG11 VAL A 83 6.939 11.314 -1.394 1.00 13.13 H new ATOM 0 HG12 VAL A 83 5.582 12.118 -0.571 1.00 13.13 H new ATOM 0 HG13 VAL A 83 7.209 12.163 0.147 1.00 13.13 H new ATOM 0 HG21 VAL A 83 7.888 9.203 -0.516 1.00 41.32 H new ATOM 0 HG22 VAL A 83 8.209 9.912 1.085 1.00 41.32 H new ATOM 0 HG23 VAL A 83 7.222 8.438 0.946 1.00 41.32 H new ATOM 1319 N VAL A 84 4.173 12.502 2.197 1.00 14.22 N ATOM 1320 CA VAL A 84 2.950 13.319 2.249 1.00 23.25 C ATOM 1321 C VAL A 84 2.994 14.373 1.129 1.00 11.41 C ATOM 1322 O VAL A 84 3.710 15.373 1.248 1.00 14.44 O ATOM 1323 CB VAL A 84 2.816 14.037 3.648 1.00 41.13 C ATOM 1324 CG1 VAL A 84 1.471 14.788 3.789 1.00 54.35 C ATOM 1325 CG2 VAL A 84 2.996 13.040 4.807 1.00 74.03 C ATOM 0 H VAL A 84 4.972 12.939 2.656 1.00 14.22 H new ATOM 0 HA VAL A 84 2.087 12.667 2.112 1.00 23.25 H new ATOM 0 HB VAL A 84 3.616 14.776 3.699 1.00 41.13 H new ATOM 0 HG11 VAL A 84 1.422 15.267 4.767 1.00 54.35 H new ATOM 0 HG12 VAL A 84 1.394 15.546 3.010 1.00 54.35 H new ATOM 0 HG13 VAL A 84 0.647 14.081 3.690 1.00 54.35 H new ATOM 0 HG21 VAL A 84 2.898 13.565 5.757 1.00 74.03 H new ATOM 0 HG22 VAL A 84 2.233 12.264 4.741 1.00 74.03 H new ATOM 0 HG23 VAL A 84 3.984 12.584 4.745 1.00 74.03 H new ATOM 1335 N HIS A 85 2.263 14.138 0.023 1.00 23.40 N ATOM 1336 CA HIS A 85 2.229 15.093 -1.112 1.00 64.34 C ATOM 1337 C HIS A 85 1.162 16.170 -0.881 1.00 21.04 C ATOM 1338 O HIS A 85 1.365 17.333 -1.241 1.00 64.10 O ATOM 1339 CB HIS A 85 2.021 14.364 -2.456 1.00 4.52 C ATOM 1340 CG HIS A 85 3.201 13.512 -2.869 1.00 50.54 C ATOM 1341 ND1 HIS A 85 4.194 13.967 -3.703 1.00 70.31 N ATOM 1342 CD2 HIS A 85 3.536 12.233 -2.564 1.00 21.24 C ATOM 1343 CE1 HIS A 85 5.080 13.014 -3.892 1.00 53.24 C ATOM 1344 NE2 HIS A 85 4.706 11.952 -3.212 1.00 15.32 N ATOM 0 H HIS A 85 1.691 13.304 -0.113 1.00 23.40 H new ATOM 0 HA HIS A 85 3.198 15.589 -1.166 1.00 64.34 H new ATOM 0 HB2 HIS A 85 1.135 13.733 -2.385 1.00 4.52 H new ATOM 0 HB3 HIS A 85 1.826 15.102 -3.234 1.00 4.52 H new ATOM 0 HD2 HIS A 85 2.980 11.561 -1.927 1.00 21.24 H new ATOM 0 HE1 HIS A 85 5.967 13.090 -4.504 1.00 53.24 H new ATOM 0 HE2 HIS A 85 5.207 11.064 -3.174 1.00 15.32 H new ATOM 1353 N ILE A 86 0.017 15.787 -0.279 1.00 40.33 N ATOM 1354 CA ILE A 86 -0.940 16.770 0.250 1.00 61.44 C ATOM 1355 C ILE A 86 -0.399 17.267 1.596 1.00 72.21 C ATOM 1356 O ILE A 86 -0.735 16.741 2.668 1.00 10.34 O ATOM 1357 CB ILE A 86 -2.408 16.214 0.383 1.00 24.14 C ATOM 1358 CG1 ILE A 86 -2.950 15.754 -1.007 1.00 61.41 C ATOM 1359 CG2 ILE A 86 -3.349 17.275 1.018 1.00 74.22 C ATOM 1360 CD1 ILE A 86 -2.941 16.824 -2.092 1.00 51.23 C ATOM 0 H ILE A 86 -0.262 14.814 -0.150 1.00 40.33 H new ATOM 0 HA ILE A 86 -1.025 17.592 -0.460 1.00 61.44 H new ATOM 0 HB ILE A 86 -2.384 15.348 1.044 1.00 24.14 H new ATOM 0 HG12 ILE A 86 -2.355 14.907 -1.349 1.00 61.41 H new ATOM 0 HG13 ILE A 86 -3.972 15.396 -0.881 1.00 61.41 H new ATOM 0 HG21 ILE A 86 -4.356 16.866 1.099 1.00 74.22 H new ATOM 0 HG22 ILE A 86 -2.984 17.538 2.011 1.00 74.22 H new ATOM 0 HG23 ILE A 86 -3.368 18.166 0.391 1.00 74.22 H new ATOM 0 HD11 ILE A 86 -3.336 16.406 -3.018 1.00 51.23 H new ATOM 0 HD12 ILE A 86 -3.561 17.664 -1.780 1.00 51.23 H new ATOM 0 HD13 ILE A 86 -1.920 17.168 -2.255 1.00 51.23 H new ATOM 1372 N GLU A 87 0.524 18.228 1.489 1.00 73.03 N ATOM 1373 CA GLU A 87 1.207 18.845 2.624 1.00 21.33 C ATOM 1374 C GLU A 87 0.176 19.601 3.470 1.00 63.54 C ATOM 1375 O GLU A 87 -0.587 20.418 2.937 1.00 13.22 O ATOM 1376 CB GLU A 87 2.324 19.780 2.098 1.00 64.21 C ATOM 1377 CG GLU A 87 3.376 19.061 1.211 1.00 53.12 C ATOM 1378 CD GLU A 87 4.387 20.012 0.537 1.00 54.11 C ATOM 1379 OE1 GLU A 87 4.112 20.502 -0.581 1.00 52.32 O ATOM 1380 OE2 GLU A 87 5.457 20.287 1.118 1.00 51.12 O ATOM 0 H GLU A 87 0.822 18.605 0.589 1.00 73.03 H new ATOM 0 HA GLU A 87 1.675 18.090 3.256 1.00 21.33 H new ATOM 0 HB2 GLU A 87 1.869 20.587 1.524 1.00 64.21 H new ATOM 0 HB3 GLU A 87 2.831 20.239 2.947 1.00 64.21 H new ATOM 0 HG2 GLU A 87 3.921 18.343 1.823 1.00 53.12 H new ATOM 0 HG3 GLU A 87 2.857 18.493 0.439 1.00 53.12 H new ATOM 1387 N GLN A 88 0.149 19.298 4.775 1.00 22.01 N ATOM 1388 CA GLN A 88 -0.922 19.729 5.690 1.00 61.24 C ATOM 1389 C GLN A 88 -1.022 21.260 5.768 1.00 64.43 C ATOM 1390 O GLN A 88 -0.102 21.939 6.231 1.00 4.54 O ATOM 1391 CB GLN A 88 -0.699 19.106 7.089 1.00 53.21 C ATOM 1392 CG GLN A 88 -0.689 17.564 7.098 1.00 0.24 C ATOM 1393 CD GLN A 88 -1.997 16.943 6.590 1.00 60.45 C ATOM 1394 OE1 GLN A 88 -2.928 16.732 7.358 1.00 53.42 O ATOM 1395 NE2 GLN A 88 -2.064 16.622 5.303 1.00 33.24 N ATOM 0 H GLN A 88 0.874 18.743 5.231 1.00 22.01 H new ATOM 0 HA GLN A 88 -1.874 19.373 5.296 1.00 61.24 H new ATOM 0 HB2 GLN A 88 0.249 19.467 7.489 1.00 53.21 H new ATOM 0 HB3 GLN A 88 -1.483 19.457 7.760 1.00 53.21 H new ATOM 0 HG2 GLN A 88 0.136 17.210 6.481 1.00 0.24 H new ATOM 0 HG3 GLN A 88 -0.500 17.215 8.113 1.00 0.24 H new ATOM 0 HE21 GLN A 88 -1.272 16.810 4.688 1.00 33.24 H new ATOM 0 HE22 GLN A 88 -2.907 16.187 4.929 1.00 33.24 H new ATOM 1404 N GLY A 89 -2.148 21.757 5.255 1.00 44.21 N ATOM 1405 CA GLY A 89 -2.466 23.173 5.214 1.00 22.24 C ATOM 1406 C GLY A 89 -3.569 23.447 4.203 1.00 62.54 C ATOM 1407 O GLY A 89 -3.910 22.564 3.396 1.00 63.40 O ATOM 0 H GLY A 89 -2.876 21.169 4.849 1.00 44.21 H new ATOM 0 HA2 GLY A 89 -2.780 23.509 6.202 1.00 22.24 H new ATOM 0 HA3 GLY A 89 -1.575 23.743 4.951 1.00 22.24 H new ATOM 1411 N GLY A 90 -4.135 24.658 4.260 1.00 74.42 N ATOM 1412 CA GLY A 90 -5.177 25.094 3.329 1.00 43.45 C ATOM 1413 C GLY A 90 -4.635 25.403 1.936 1.00 30.13 C ATOM 1414 O GLY A 90 -4.424 26.571 1.584 1.00 51.11 O ATOM 0 H GLY A 90 -3.882 25.362 4.954 1.00 74.42 H new ATOM 0 HA2 GLY A 90 -5.938 24.318 3.254 1.00 43.45 H new ATOM 0 HA3 GLY A 90 -5.666 25.982 3.729 1.00 43.45 H new ATOM 1418 N LEU A 91 -4.381 24.340 1.161 1.00 52.13 N ATOM 1419 CA LEU A 91 -3.880 24.428 -0.222 1.00 3.43 C ATOM 1420 C LEU A 91 -5.056 24.415 -1.214 1.00 31.42 C ATOM 1421 O LEU A 91 -6.180 24.062 -0.839 1.00 23.25 O ATOM 1422 CB LEU A 91 -2.922 23.239 -0.508 1.00 72.01 C ATOM 1423 CG LEU A 91 -1.661 23.131 0.408 1.00 21.34 C ATOM 1424 CD1 LEU A 91 -0.772 21.943 -0.006 1.00 12.43 C ATOM 1425 CD2 LEU A 91 -0.856 24.448 0.415 1.00 33.44 C ATOM 0 H LEU A 91 -4.519 23.381 1.479 1.00 52.13 H new ATOM 0 HA LEU A 91 -3.333 25.363 -0.345 1.00 3.43 H new ATOM 0 HB2 LEU A 91 -3.490 22.313 -0.419 1.00 72.01 H new ATOM 0 HB3 LEU A 91 -2.588 23.310 -1.543 1.00 72.01 H new ATOM 0 HG LEU A 91 -2.009 22.950 1.425 1.00 21.34 H new ATOM 0 HD11 LEU A 91 0.098 21.893 0.649 1.00 12.43 H new ATOM 0 HD12 LEU A 91 -1.341 21.017 0.076 1.00 12.43 H new ATOM 0 HD13 LEU A 91 -0.443 22.077 -1.036 1.00 12.43 H new ATOM 0 HD21 LEU A 91 0.015 24.339 1.062 1.00 33.44 H new ATOM 0 HD22 LEU A 91 -0.528 24.680 -0.598 1.00 33.44 H new ATOM 0 HD23 LEU A 91 -1.485 25.257 0.787 1.00 33.44 H new ATOM 1437 N VAL A 92 -4.797 24.817 -2.475 1.00 71.44 N ATOM 1438 CA VAL A 92 -5.785 24.671 -3.574 1.00 51.24 C ATOM 1439 C VAL A 92 -5.838 23.189 -4.027 1.00 54.42 C ATOM 1440 O VAL A 92 -6.827 22.730 -4.622 1.00 64.55 O ATOM 1441 CB VAL A 92 -5.467 25.632 -4.788 1.00 71.42 C ATOM 1442 CG1 VAL A 92 -4.132 25.274 -5.479 1.00 43.12 C ATOM 1443 CG2 VAL A 92 -6.636 25.682 -5.807 1.00 3.30 C ATOM 0 H VAL A 92 -3.916 25.244 -2.761 1.00 71.44 H new ATOM 0 HA VAL A 92 -6.765 24.965 -3.197 1.00 51.24 H new ATOM 0 HB VAL A 92 -5.355 26.633 -4.372 1.00 71.42 H new ATOM 0 HG11 VAL A 92 -3.955 25.961 -6.307 1.00 43.12 H new ATOM 0 HG12 VAL A 92 -3.317 25.355 -4.760 1.00 43.12 H new ATOM 0 HG13 VAL A 92 -4.181 24.253 -5.858 1.00 43.12 H new ATOM 0 HG21 VAL A 92 -6.377 26.354 -6.625 1.00 3.30 H new ATOM 0 HG22 VAL A 92 -6.818 24.682 -6.202 1.00 3.30 H new ATOM 0 HG23 VAL A 92 -7.536 26.045 -5.311 1.00 3.30 H new ATOM 1453 N LYS A 93 -4.740 22.458 -3.724 1.00 4.22 N ATOM 1454 CA LYS A 93 -4.666 20.997 -3.855 1.00 0.44 C ATOM 1455 C LYS A 93 -5.714 20.333 -2.923 1.00 71.43 C ATOM 1456 O LYS A 93 -5.876 20.772 -1.775 1.00 72.53 O ATOM 1457 CB LYS A 93 -3.227 20.520 -3.512 1.00 32.22 C ATOM 1458 CG LYS A 93 -2.159 20.952 -4.548 1.00 74.13 C ATOM 1459 CD LYS A 93 -0.708 20.718 -4.064 1.00 10.52 C ATOM 1460 CE LYS A 93 -0.405 19.255 -3.701 1.00 63.44 C ATOM 1461 NZ LYS A 93 1.020 19.078 -3.314 1.00 34.03 N ATOM 0 H LYS A 93 -3.876 22.877 -3.379 1.00 4.22 H new ATOM 0 HA LYS A 93 -4.891 20.704 -4.880 1.00 0.44 H new ATOM 0 HB2 LYS A 93 -2.949 20.911 -2.533 1.00 32.22 H new ATOM 0 HB3 LYS A 93 -3.224 19.433 -3.434 1.00 32.22 H new ATOM 0 HG2 LYS A 93 -2.319 20.402 -5.475 1.00 74.13 H new ATOM 0 HG3 LYS A 93 -2.292 22.009 -4.778 1.00 74.13 H new ATOM 0 HD2 LYS A 93 -0.018 21.040 -4.844 1.00 10.52 H new ATOM 0 HD3 LYS A 93 -0.519 21.346 -3.193 1.00 10.52 H new ATOM 0 HE2 LYS A 93 -1.049 18.941 -2.879 1.00 63.44 H new ATOM 0 HE3 LYS A 93 -0.636 18.612 -4.550 1.00 63.44 H new ATOM 0 HZ1 LYS A 93 1.519 18.552 -4.059 1.00 34.03 H new ATOM 0 HZ2 LYS A 93 1.465 20.010 -3.191 1.00 34.03 H new ATOM 0 HZ3 LYS A 93 1.074 18.548 -2.421 1.00 34.03 H new ATOM 1475 N PRO A 94 -6.435 19.277 -3.413 1.00 61.14 N ATOM 1476 CA PRO A 94 -7.567 18.668 -2.678 1.00 44.24 C ATOM 1477 C PRO A 94 -7.129 17.923 -1.398 1.00 52.22 C ATOM 1478 O PRO A 94 -5.999 17.440 -1.293 1.00 73.02 O ATOM 1479 CB PRO A 94 -8.191 17.713 -3.725 1.00 25.24 C ATOM 1480 CG PRO A 94 -7.051 17.347 -4.623 1.00 22.45 C ATOM 1481 CD PRO A 94 -6.190 18.588 -4.713 1.00 31.24 C ATOM 0 HA PRO A 94 -8.268 19.415 -2.305 1.00 44.24 H new ATOM 0 HB2 PRO A 94 -8.622 16.831 -3.251 1.00 25.24 H new ATOM 0 HB3 PRO A 94 -8.993 18.201 -4.280 1.00 25.24 H new ATOM 0 HG2 PRO A 94 -6.487 16.507 -4.218 1.00 22.45 H new ATOM 0 HG3 PRO A 94 -7.409 17.046 -5.608 1.00 22.45 H new ATOM 0 HD2 PRO A 94 -5.137 18.337 -4.842 1.00 31.24 H new ATOM 0 HD3 PRO A 94 -6.475 19.214 -5.559 1.00 31.24 H new ATOM 1489 N GLU A 95 -8.075 17.803 -0.458 1.00 15.33 N ATOM 1490 CA GLU A 95 -7.837 17.304 0.913 1.00 13.25 C ATOM 1491 C GLU A 95 -7.724 15.764 0.980 1.00 10.50 C ATOM 1492 O GLU A 95 -7.553 15.208 2.071 1.00 34.35 O ATOM 1493 CB GLU A 95 -8.986 17.809 1.828 1.00 3.15 C ATOM 1494 CG GLU A 95 -10.393 17.327 1.398 1.00 1.43 C ATOM 1495 CD GLU A 95 -11.538 18.083 2.086 1.00 51.13 C ATOM 1496 OE1 GLU A 95 -11.849 17.782 3.257 1.00 44.02 O ATOM 1497 OE2 GLU A 95 -12.129 18.996 1.465 1.00 20.01 O ATOM 0 H GLU A 95 -9.049 18.054 -0.627 1.00 15.33 H new ATOM 0 HA GLU A 95 -6.877 17.691 1.255 1.00 13.25 H new ATOM 0 HB2 GLU A 95 -8.796 17.477 2.849 1.00 3.15 H new ATOM 0 HB3 GLU A 95 -8.975 18.899 1.840 1.00 3.15 H new ATOM 0 HG2 GLU A 95 -10.492 17.439 0.318 1.00 1.43 H new ATOM 0 HG3 GLU A 95 -10.487 16.264 1.618 1.00 1.43 H new ATOM 1504 N ARG A 96 -7.842 15.092 -0.188 1.00 32.22 N ATOM 1505 CA ARG A 96 -7.620 13.637 -0.308 1.00 34.32 C ATOM 1506 C ARG A 96 -6.140 13.297 0.002 1.00 31.54 C ATOM 1507 O ARG A 96 -5.277 13.324 -0.886 1.00 62.34 O ATOM 1508 CB ARG A 96 -8.059 13.135 -1.721 1.00 1.24 C ATOM 1509 CG ARG A 96 -7.445 13.911 -2.900 1.00 3.43 C ATOM 1510 CD ARG A 96 -7.784 13.321 -4.281 1.00 74.40 C ATOM 1511 NE ARG A 96 -7.017 14.000 -5.339 1.00 72.01 N ATOM 1512 CZ ARG A 96 -6.839 13.559 -6.594 1.00 44.32 C ATOM 1513 NH1 ARG A 96 -7.375 12.416 -7.008 1.00 50.34 N ATOM 1514 NH2 ARG A 96 -6.104 14.280 -7.427 1.00 62.03 N ATOM 0 H ARG A 96 -8.093 15.542 -1.068 1.00 32.22 H new ATOM 0 HA ARG A 96 -8.235 13.114 0.424 1.00 34.32 H new ATOM 0 HB2 ARG A 96 -7.790 12.083 -1.817 1.00 1.24 H new ATOM 0 HB3 ARG A 96 -9.145 13.194 -1.791 1.00 1.24 H new ATOM 0 HG2 ARG A 96 -7.792 14.944 -2.862 1.00 3.43 H new ATOM 0 HG3 ARG A 96 -6.362 13.934 -2.782 1.00 3.43 H new ATOM 0 HD2 ARG A 96 -7.561 12.254 -4.291 1.00 74.40 H new ATOM 0 HD3 ARG A 96 -8.852 13.425 -4.475 1.00 74.40 H new ATOM 0 HE ARG A 96 -6.580 14.889 -5.095 1.00 72.01 H new ATOM 0 HH11 ARG A 96 -7.935 11.854 -6.367 1.00 50.34 H new ATOM 0 HH12 ARG A 96 -7.226 12.101 -7.967 1.00 50.34 H new ATOM 0 HH21 ARG A 96 -5.684 15.154 -7.111 1.00 62.03 H new ATOM 0 HH22 ARG A 96 -5.957 13.961 -8.385 1.00 62.03 H new ATOM 1528 N ASP A 97 -5.868 13.095 1.316 1.00 44.44 N ATOM 1529 CA ASP A 97 -4.536 12.731 1.876 1.00 40.14 C ATOM 1530 C ASP A 97 -3.756 11.776 0.965 1.00 14.35 C ATOM 1531 O ASP A 97 -4.079 10.587 0.885 1.00 23.12 O ATOM 1532 CB ASP A 97 -4.693 12.100 3.294 1.00 54.11 C ATOM 1533 CG ASP A 97 -5.173 13.109 4.354 1.00 11.11 C ATOM 1534 OD1 ASP A 97 -6.383 13.426 4.387 1.00 2.23 O ATOM 1535 OD2 ASP A 97 -4.338 13.611 5.146 1.00 52.22 O ATOM 0 H ASP A 97 -6.585 13.182 2.036 1.00 44.44 H new ATOM 0 HA ASP A 97 -3.963 13.655 1.948 1.00 40.14 H new ATOM 0 HB2 ASP A 97 -5.401 11.273 3.241 1.00 54.11 H new ATOM 0 HB3 ASP A 97 -3.737 11.681 3.607 1.00 54.11 H new ATOM 1540 N ASP A 98 -2.734 12.327 0.280 1.00 65.32 N ATOM 1541 CA ASP A 98 -1.906 11.584 -0.668 1.00 41.21 C ATOM 1542 C ASP A 98 -0.730 11.002 0.105 1.00 24.13 C ATOM 1543 O ASP A 98 0.138 11.743 0.600 1.00 51.14 O ATOM 1544 CB ASP A 98 -1.402 12.488 -1.833 1.00 43.11 C ATOM 1545 CG ASP A 98 -0.575 11.728 -2.904 1.00 34.33 C ATOM 1546 OD1 ASP A 98 0.557 11.289 -2.613 1.00 21.41 O ATOM 1547 OD2 ASP A 98 -1.046 11.571 -4.044 1.00 12.11 O ATOM 0 H ASP A 98 -2.465 13.306 0.375 1.00 65.32 H new ATOM 0 HA ASP A 98 -2.499 10.792 -1.126 1.00 41.21 H new ATOM 0 HB2 ASP A 98 -2.261 12.956 -2.315 1.00 43.11 H new ATOM 0 HB3 ASP A 98 -0.792 13.291 -1.419 1.00 43.11 H new ATOM 1552 N THR A 99 -0.725 9.684 0.201 1.00 52.22 N ATOM 1553 CA THR A 99 0.285 8.925 0.899 1.00 13.10 C ATOM 1554 C THR A 99 1.003 8.007 -0.094 1.00 60.02 C ATOM 1555 O THR A 99 0.439 7.007 -0.553 1.00 24.21 O ATOM 1556 CB THR A 99 -0.380 8.092 2.031 1.00 21.45 C ATOM 1557 OG1 THR A 99 -1.092 8.980 2.906 1.00 33.32 O ATOM 1558 CG2 THR A 99 0.653 7.296 2.831 1.00 70.41 C ATOM 0 H THR A 99 -1.448 9.099 -0.219 1.00 52.22 H new ATOM 0 HA THR A 99 1.014 9.600 1.347 1.00 13.10 H new ATOM 0 HB THR A 99 -1.065 7.377 1.575 1.00 21.45 H new ATOM 0 HG1 THR A 99 -0.677 9.867 2.880 1.00 33.32 H new ATOM 0 HG21 THR A 99 0.149 6.727 3.612 1.00 70.41 H new ATOM 0 HG22 THR A 99 1.179 6.611 2.166 1.00 70.41 H new ATOM 0 HG23 THR A 99 1.368 7.982 3.286 1.00 70.41 H new ATOM 1566 N GLU A 100 2.239 8.361 -0.418 1.00 33.43 N ATOM 1567 CA GLU A 100 3.079 7.574 -1.303 1.00 52.14 C ATOM 1568 C GLU A 100 3.973 6.692 -0.429 1.00 61.34 C ATOM 1569 O GLU A 100 4.835 7.206 0.290 1.00 42.23 O ATOM 1570 CB GLU A 100 3.908 8.501 -2.223 1.00 65.41 C ATOM 1571 CG GLU A 100 4.923 7.765 -3.120 1.00 32.21 C ATOM 1572 CD GLU A 100 5.729 8.713 -4.013 1.00 60.24 C ATOM 1573 OE1 GLU A 100 6.532 9.508 -3.480 1.00 44.34 O ATOM 1574 OE2 GLU A 100 5.554 8.686 -5.246 1.00 60.00 O ATOM 0 H GLU A 100 2.688 9.208 -0.071 1.00 33.43 H new ATOM 0 HA GLU A 100 2.475 6.944 -1.956 1.00 52.14 H new ATOM 0 HB2 GLU A 100 3.226 9.068 -2.856 1.00 65.41 H new ATOM 0 HB3 GLU A 100 4.443 9.222 -1.605 1.00 65.41 H new ATOM 0 HG2 GLU A 100 5.608 7.195 -2.492 1.00 32.21 H new ATOM 0 HG3 GLU A 100 4.393 7.047 -3.746 1.00 32.21 H new ATOM 1581 N PHE A 101 3.717 5.376 -0.431 1.00 23.43 N ATOM 1582 CA PHE A 101 4.590 4.402 0.224 1.00 12.33 C ATOM 1583 C PHE A 101 5.539 3.863 -0.840 1.00 13.51 C ATOM 1584 O PHE A 101 5.100 3.270 -1.840 1.00 33.33 O ATOM 1585 CB PHE A 101 3.791 3.248 0.874 1.00 71.21 C ATOM 1586 CG PHE A 101 2.947 3.628 2.090 1.00 33.53 C ATOM 1587 CD1 PHE A 101 3.561 4.016 3.285 1.00 60.31 C ATOM 1588 CD2 PHE A 101 1.548 3.551 2.061 1.00 74.20 C ATOM 1589 CE1 PHE A 101 2.805 4.314 4.405 1.00 14.32 C ATOM 1590 CE2 PHE A 101 0.799 3.856 3.179 1.00 41.21 C ATOM 1591 CZ PHE A 101 1.428 4.236 4.351 1.00 72.14 C ATOM 0 H PHE A 101 2.903 4.962 -0.885 1.00 23.43 H new ATOM 0 HA PHE A 101 5.137 4.886 1.033 1.00 12.33 H new ATOM 0 HB2 PHE A 101 3.134 2.816 0.119 1.00 71.21 H new ATOM 0 HB3 PHE A 101 4.492 2.468 1.171 1.00 71.21 H new ATOM 0 HD1 PHE A 101 4.638 4.084 3.334 1.00 60.31 H new ATOM 0 HD2 PHE A 101 1.050 3.249 1.152 1.00 74.20 H new ATOM 0 HE1 PHE A 101 3.293 4.608 5.323 1.00 14.32 H new ATOM 0 HE2 PHE A 101 -0.279 3.798 3.139 1.00 41.21 H new ATOM 0 HZ PHE A 101 0.840 4.472 5.226 1.00 72.14 H new ATOM 1601 N GLN A 102 6.833 4.088 -0.622 1.00 0.33 N ATOM 1602 CA GLN A 102 7.891 3.751 -1.575 1.00 43.35 C ATOM 1603 C GLN A 102 8.911 2.830 -0.913 1.00 44.23 C ATOM 1604 O GLN A 102 9.120 2.897 0.307 1.00 11.45 O ATOM 1605 CB GLN A 102 8.573 5.044 -2.099 1.00 62.42 C ATOM 1606 CG GLN A 102 9.325 5.854 -1.024 1.00 15.30 C ATOM 1607 CD GLN A 102 10.030 7.095 -1.563 1.00 63.55 C ATOM 1608 OE1 GLN A 102 10.421 7.160 -2.733 1.00 40.33 O ATOM 1609 NE2 GLN A 102 10.241 8.068 -0.696 1.00 22.45 N ATOM 0 H GLN A 102 7.183 4.516 0.235 1.00 0.33 H new ATOM 0 HA GLN A 102 7.453 3.229 -2.426 1.00 43.35 H new ATOM 0 HB2 GLN A 102 9.274 4.775 -2.889 1.00 62.42 H new ATOM 0 HB3 GLN A 102 7.814 5.682 -2.551 1.00 62.42 H new ATOM 0 HG2 GLN A 102 8.618 6.157 -0.251 1.00 15.30 H new ATOM 0 HG3 GLN A 102 10.062 5.208 -0.547 1.00 15.30 H new ATOM 0 HE21 GLN A 102 9.903 7.979 0.262 1.00 22.45 H new ATOM 0 HE22 GLN A 102 10.742 8.909 -0.985 1.00 22.45 H new ATOM 1618 N HIS A 103 9.525 1.961 -1.718 1.00 70.52 N ATOM 1619 CA HIS A 103 10.530 1.006 -1.250 1.00 4.04 C ATOM 1620 C HIS A 103 11.430 0.589 -2.437 1.00 72.44 C ATOM 1621 O HIS A 103 10.902 0.268 -3.506 1.00 50.23 O ATOM 1622 CB HIS A 103 9.805 -0.205 -0.613 1.00 50.03 C ATOM 1623 CG HIS A 103 10.701 -1.195 0.064 1.00 73.15 C ATOM 1624 ND1 HIS A 103 11.109 -2.370 -0.512 1.00 63.30 N ATOM 1625 CD2 HIS A 103 11.294 -1.151 1.274 1.00 15.53 C ATOM 1626 CE1 HIS A 103 11.913 -2.998 0.320 1.00 3.13 C ATOM 1627 NE2 HIS A 103 12.038 -2.278 1.408 1.00 42.10 N ATOM 0 H HIS A 103 9.338 1.900 -2.719 1.00 70.52 H new ATOM 0 HA HIS A 103 11.173 1.453 -0.492 1.00 4.04 H new ATOM 0 HB2 HIS A 103 9.082 0.165 0.114 1.00 50.03 H new ATOM 0 HB3 HIS A 103 9.240 -0.721 -1.390 1.00 50.03 H new ATOM 0 HD2 HIS A 103 11.195 -0.362 2.004 1.00 15.53 H new ATOM 0 HE1 HIS A 103 12.391 -3.949 0.136 1.00 3.13 H new ATOM 0 HE2 HIS A 103 12.602 -2.524 2.222 1.00 42.10 H new ATOM 1636 N PRO A 104 12.797 0.580 -2.272 1.00 42.54 N ATOM 1637 CA PRO A 104 13.751 0.316 -3.396 1.00 74.52 C ATOM 1638 C PRO A 104 13.637 -1.117 -3.962 1.00 53.20 C ATOM 1639 O PRO A 104 13.927 -1.356 -5.139 1.00 62.31 O ATOM 1640 CB PRO A 104 15.137 0.569 -2.746 1.00 52.52 C ATOM 1641 CG PRO A 104 14.914 0.301 -1.287 1.00 41.30 C ATOM 1642 CD PRO A 104 13.528 0.828 -0.993 1.00 43.43 C ATOM 0 HA PRO A 104 13.554 0.950 -4.261 1.00 74.52 H new ATOM 0 HB2 PRO A 104 15.898 -0.092 -3.161 1.00 52.52 H new ATOM 0 HB3 PRO A 104 15.476 1.591 -2.916 1.00 52.52 H new ATOM 0 HG2 PRO A 104 14.985 -0.764 -1.067 1.00 41.30 H new ATOM 0 HG3 PRO A 104 15.664 0.803 -0.676 1.00 41.30 H new ATOM 0 HD2 PRO A 104 13.066 0.304 -0.156 1.00 43.43 H new ATOM 0 HD3 PRO A 104 13.545 1.887 -0.736 1.00 43.43 H new ATOM 1650 N CYS A 105 13.196 -2.054 -3.109 1.00 4.02 N ATOM 1651 CA CYS A 105 12.943 -3.452 -3.493 1.00 2.24 C ATOM 1652 C CYS A 105 11.421 -3.696 -3.578 1.00 52.41 C ATOM 1653 O CYS A 105 10.923 -4.745 -3.166 1.00 45.32 O ATOM 1654 CB CYS A 105 13.613 -4.406 -2.477 1.00 62.32 C ATOM 1655 SG CYS A 105 15.383 -4.120 -2.250 1.00 12.04 S ATOM 0 H CYS A 105 13.003 -1.862 -2.126 1.00 4.02 H new ATOM 0 HA CYS A 105 13.376 -3.651 -4.474 1.00 2.24 H new ATOM 0 HB2 CYS A 105 13.113 -4.303 -1.514 1.00 62.32 H new ATOM 0 HB3 CYS A 105 13.462 -5.434 -2.806 1.00 62.32 H new ATOM 0 HG CYS A 105 15.851 -4.965 -1.380 1.00 12.04 H new ATOM 1661 N PHE A 106 10.687 -2.688 -4.069 1.00 23.11 N ATOM 1662 CA PHE A 106 9.259 -2.804 -4.419 1.00 31.44 C ATOM 1663 C PHE A 106 9.053 -2.158 -5.789 1.00 22.31 C ATOM 1664 O PHE A 106 9.145 -0.936 -5.917 1.00 1.03 O ATOM 1665 CB PHE A 106 8.367 -2.116 -3.345 1.00 70.31 C ATOM 1666 CG PHE A 106 6.860 -2.095 -3.661 1.00 54.03 C ATOM 1667 CD1 PHE A 106 6.050 -3.178 -3.322 1.00 53.02 C ATOM 1668 CD2 PHE A 106 6.260 -0.997 -4.295 1.00 41.40 C ATOM 1669 CE1 PHE A 106 4.697 -3.171 -3.607 1.00 60.03 C ATOM 1670 CE2 PHE A 106 4.908 -0.994 -4.580 1.00 51.21 C ATOM 1671 CZ PHE A 106 4.125 -2.080 -4.237 1.00 54.51 C ATOM 0 H PHE A 106 11.070 -1.758 -4.237 1.00 23.11 H new ATOM 0 HA PHE A 106 8.969 -3.854 -4.454 1.00 31.44 H new ATOM 0 HB2 PHE A 106 8.515 -2.625 -2.392 1.00 70.31 H new ATOM 0 HB3 PHE A 106 8.709 -1.089 -3.215 1.00 70.31 H new ATOM 0 HD1 PHE A 106 6.486 -4.035 -2.830 1.00 53.02 H new ATOM 0 HD2 PHE A 106 6.863 -0.142 -4.564 1.00 41.40 H new ATOM 0 HE1 PHE A 106 4.085 -4.019 -3.337 1.00 60.03 H new ATOM 0 HE2 PHE A 106 4.462 -0.142 -5.072 1.00 51.21 H new ATOM 0 HZ PHE A 106 3.068 -2.077 -4.460 1.00 54.51 H new ATOM 1681 N LEU A 107 8.839 -2.990 -6.816 1.00 2.54 N ATOM 1682 CA LEU A 107 8.465 -2.537 -8.166 1.00 2.14 C ATOM 1683 C LEU A 107 7.208 -3.312 -8.612 1.00 12.12 C ATOM 1684 O LEU A 107 7.017 -4.464 -8.197 1.00 1.33 O ATOM 1685 CB LEU A 107 9.634 -2.751 -9.160 1.00 21.01 C ATOM 1686 CG LEU A 107 10.997 -2.078 -8.801 1.00 63.12 C ATOM 1687 CD1 LEU A 107 12.110 -2.499 -9.781 1.00 13.43 C ATOM 1688 CD2 LEU A 107 10.865 -0.546 -8.751 1.00 23.11 C ATOM 0 H LEU A 107 8.920 -4.004 -6.735 1.00 2.54 H new ATOM 0 HA LEU A 107 8.247 -1.469 -8.151 1.00 2.14 H new ATOM 0 HB2 LEU A 107 9.801 -3.823 -9.262 1.00 21.01 H new ATOM 0 HB3 LEU A 107 9.321 -2.383 -10.137 1.00 21.01 H new ATOM 0 HG LEU A 107 11.279 -2.426 -7.807 1.00 63.12 H new ATOM 0 HD11 LEU A 107 13.044 -2.012 -9.501 1.00 13.43 H new ATOM 0 HD12 LEU A 107 12.239 -3.581 -9.742 1.00 13.43 H new ATOM 0 HD13 LEU A 107 11.835 -2.202 -10.793 1.00 13.43 H new ATOM 0 HD21 LEU A 107 11.830 -0.106 -8.499 1.00 23.11 H new ATOM 0 HD22 LEU A 107 10.541 -0.177 -9.724 1.00 23.11 H new ATOM 0 HD23 LEU A 107 10.131 -0.269 -7.995 1.00 23.11 H new ATOM 1700 N ARG A 108 6.364 -2.676 -9.448 1.00 71.41 N ATOM 1701 CA ARG A 108 5.071 -3.244 -9.891 1.00 70.43 C ATOM 1702 C ARG A 108 5.268 -4.543 -10.709 1.00 43.23 C ATOM 1703 O ARG A 108 4.771 -5.607 -10.323 1.00 10.24 O ATOM 1704 CB ARG A 108 4.275 -2.173 -10.699 1.00 44.34 C ATOM 1705 CG ARG A 108 2.996 -2.692 -11.398 1.00 74.35 C ATOM 1706 CD ARG A 108 1.960 -3.291 -10.424 1.00 23.24 C ATOM 1707 NE ARG A 108 1.055 -4.218 -11.115 1.00 62.14 N ATOM 1708 CZ ARG A 108 0.325 -5.178 -10.532 1.00 51.42 C ATOM 1709 NH1 ARG A 108 0.351 -5.360 -9.214 1.00 24.52 N ATOM 1710 NH2 ARG A 108 -0.415 -5.975 -11.278 1.00 63.21 N ATOM 0 H ARG A 108 6.558 -1.753 -9.837 1.00 71.41 H new ATOM 0 HA ARG A 108 4.492 -3.517 -9.009 1.00 70.43 H new ATOM 0 HB2 ARG A 108 3.998 -1.364 -10.024 1.00 44.34 H new ATOM 0 HB3 ARG A 108 4.935 -1.746 -11.454 1.00 44.34 H new ATOM 0 HG2 ARG A 108 2.534 -1.872 -11.948 1.00 74.35 H new ATOM 0 HG3 ARG A 108 3.274 -3.450 -12.131 1.00 74.35 H new ATOM 0 HD2 ARG A 108 2.475 -3.814 -9.618 1.00 23.24 H new ATOM 0 HD3 ARG A 108 1.382 -2.489 -9.965 1.00 23.24 H new ATOM 0 HE ARG A 108 0.975 -4.123 -12.127 1.00 62.14 H new ATOM 0 HH11 ARG A 108 0.934 -4.763 -8.628 1.00 24.52 H new ATOM 0 HH12 ARG A 108 -0.212 -6.097 -8.790 1.00 24.52 H new ATOM 0 HH21 ARG A 108 -0.429 -5.858 -12.291 1.00 63.21 H new ATOM 0 HH22 ARG A 108 -0.974 -6.708 -10.842 1.00 63.21 H new ATOM 1724 N GLY A 109 6.007 -4.449 -11.825 1.00 22.33 N ATOM 1725 CA GLY A 109 6.284 -5.605 -12.687 1.00 41.44 C ATOM 1726 C GLY A 109 7.542 -6.345 -12.256 1.00 53.04 C ATOM 1727 O GLY A 109 8.422 -6.631 -13.085 1.00 21.11 O ATOM 0 H GLY A 109 6.425 -3.578 -12.152 1.00 22.33 H new ATOM 0 HA2 GLY A 109 5.435 -6.288 -12.663 1.00 41.44 H new ATOM 0 HA3 GLY A 109 6.395 -5.271 -13.718 1.00 41.44 H new ATOM 1731 N GLN A 110 7.612 -6.671 -10.949 1.00 73.52 N ATOM 1732 CA GLN A 110 8.811 -7.242 -10.319 1.00 70.41 C ATOM 1733 C GLN A 110 8.415 -7.829 -8.935 1.00 73.11 C ATOM 1734 O GLN A 110 9.020 -7.502 -7.899 1.00 20.05 O ATOM 1735 CB GLN A 110 9.891 -6.121 -10.182 1.00 24.02 C ATOM 1736 CG GLN A 110 11.371 -6.566 -10.140 1.00 41.43 C ATOM 1737 CD GLN A 110 11.987 -6.854 -11.514 1.00 63.44 C ATOM 1738 OE1 GLN A 110 11.323 -7.323 -12.434 1.00 40.41 O ATOM 1739 NE2 GLN A 110 13.263 -6.539 -11.671 1.00 1.10 N ATOM 0 H GLN A 110 6.834 -6.544 -10.302 1.00 73.52 H new ATOM 0 HA GLN A 110 9.229 -8.046 -10.925 1.00 70.41 H new ATOM 0 HB2 GLN A 110 9.769 -5.431 -11.017 1.00 24.02 H new ATOM 0 HB3 GLN A 110 9.681 -5.560 -9.272 1.00 24.02 H new ATOM 0 HG2 GLN A 110 11.957 -5.789 -9.649 1.00 41.43 H new ATOM 0 HG3 GLN A 110 11.451 -7.462 -9.525 1.00 41.43 H new ATOM 0 HE21 GLN A 110 13.792 -6.151 -10.890 1.00 1.10 H new ATOM 0 HE22 GLN A 110 13.717 -6.685 -12.573 1.00 1.10 H new ATOM 1748 N GLU A 111 7.384 -8.700 -8.941 1.00 11.20 N ATOM 1749 CA GLU A 111 6.810 -9.320 -7.715 1.00 33.40 C ATOM 1750 C GLU A 111 7.826 -10.210 -6.955 1.00 13.11 C ATOM 1751 O GLU A 111 7.623 -10.514 -5.768 1.00 4.31 O ATOM 1752 CB GLU A 111 5.549 -10.150 -8.077 1.00 4.12 C ATOM 1753 CG GLU A 111 5.836 -11.333 -9.029 1.00 4.43 C ATOM 1754 CD GLU A 111 4.621 -12.234 -9.306 1.00 44.20 C ATOM 1755 OE1 GLU A 111 3.834 -11.932 -10.226 1.00 40.22 O ATOM 1756 OE2 GLU A 111 4.462 -13.263 -8.615 1.00 32.11 O ATOM 0 H GLU A 111 6.920 -8.998 -9.799 1.00 11.20 H new ATOM 0 HA GLU A 111 6.540 -8.502 -7.047 1.00 33.40 H new ATOM 0 HB2 GLU A 111 5.102 -10.533 -7.160 1.00 4.12 H new ATOM 0 HB3 GLU A 111 4.813 -9.493 -8.540 1.00 4.12 H new ATOM 0 HG2 GLU A 111 6.205 -10.940 -9.976 1.00 4.43 H new ATOM 0 HG3 GLU A 111 6.634 -11.941 -8.603 1.00 4.43 H new ATOM 1763 N GLN A 112 8.911 -10.623 -7.643 1.00 45.34 N ATOM 1764 CA GLN A 112 9.999 -11.405 -7.030 1.00 44.15 C ATOM 1765 C GLN A 112 10.808 -10.574 -6.001 1.00 4.24 C ATOM 1766 O GLN A 112 11.702 -11.107 -5.349 1.00 12.10 O ATOM 1767 CB GLN A 112 10.958 -12.023 -8.097 1.00 70.11 C ATOM 1768 CG GLN A 112 11.897 -11.020 -8.835 1.00 4.43 C ATOM 1769 CD GLN A 112 11.315 -10.402 -10.106 1.00 72.03 C ATOM 1770 OE1 GLN A 112 10.104 -10.258 -10.258 1.00 44.30 O ATOM 1771 NE2 GLN A 112 12.191 -10.001 -11.020 1.00 33.51 N ATOM 0 H GLN A 112 9.055 -10.424 -8.633 1.00 45.34 H new ATOM 0 HA GLN A 112 9.514 -12.224 -6.499 1.00 44.15 H new ATOM 0 HB2 GLN A 112 11.576 -12.776 -7.608 1.00 70.11 H new ATOM 0 HB3 GLN A 112 10.354 -12.541 -8.843 1.00 70.11 H new ATOM 0 HG2 GLN A 112 12.158 -10.217 -8.146 1.00 4.43 H new ATOM 0 HG3 GLN A 112 12.823 -11.535 -9.091 1.00 4.43 H new ATOM 0 HE21 GLN A 112 13.190 -10.135 -10.863 1.00 33.51 H new ATOM 0 HE22 GLN A 112 11.865 -9.558 -11.879 1.00 33.51 H new ATOM 1780 N LEU A 113 10.529 -9.259 -5.894 1.00 34.13 N ATOM 1781 CA LEU A 113 11.141 -8.395 -4.869 1.00 34.50 C ATOM 1782 C LEU A 113 10.346 -8.438 -3.545 1.00 24.22 C ATOM 1783 O LEU A 113 10.920 -8.179 -2.485 1.00 11.33 O ATOM 1784 CB LEU A 113 11.264 -6.940 -5.386 1.00 70.30 C ATOM 1785 CG LEU A 113 12.323 -6.689 -6.500 1.00 1.40 C ATOM 1786 CD1 LEU A 113 12.334 -5.207 -6.925 1.00 44.23 C ATOM 1787 CD2 LEU A 113 13.731 -7.143 -6.052 1.00 24.03 C ATOM 0 H LEU A 113 9.879 -8.771 -6.510 1.00 34.13 H new ATOM 0 HA LEU A 113 12.141 -8.777 -4.666 1.00 34.50 H new ATOM 0 HB2 LEU A 113 10.290 -6.628 -5.764 1.00 70.30 H new ATOM 0 HB3 LEU A 113 11.499 -6.295 -4.539 1.00 70.30 H new ATOM 0 HG LEU A 113 12.041 -7.289 -7.365 1.00 1.40 H new ATOM 0 HD11 LEU A 113 13.082 -5.057 -7.704 1.00 44.23 H new ATOM 0 HD12 LEU A 113 11.351 -4.931 -7.308 1.00 44.23 H new ATOM 0 HD13 LEU A 113 12.577 -4.584 -6.064 1.00 44.23 H new ATOM 0 HD21 LEU A 113 14.446 -6.954 -6.853 1.00 24.03 H new ATOM 0 HD22 LEU A 113 14.027 -6.587 -5.162 1.00 24.03 H new ATOM 0 HD23 LEU A 113 13.714 -8.209 -5.825 1.00 24.03 H new ATOM 1799 N LEU A 114 9.037 -8.791 -3.613 1.00 64.10 N ATOM 1800 CA LEU A 114 8.142 -8.847 -2.422 1.00 43.42 C ATOM 1801 C LEU A 114 8.618 -9.909 -1.412 1.00 24.11 C ATOM 1802 O LEU A 114 8.547 -9.714 -0.194 1.00 51.42 O ATOM 1803 CB LEU A 114 6.686 -9.164 -2.850 1.00 62.12 C ATOM 1804 CG LEU A 114 6.010 -8.167 -3.839 1.00 24.34 C ATOM 1805 CD1 LEU A 114 4.620 -8.676 -4.269 1.00 50.42 C ATOM 1806 CD2 LEU A 114 5.921 -6.757 -3.227 1.00 41.42 C ATOM 0 H LEU A 114 8.573 -9.043 -4.485 1.00 64.10 H new ATOM 0 HA LEU A 114 8.176 -7.869 -1.943 1.00 43.42 H new ATOM 0 HB2 LEU A 114 6.674 -10.154 -3.305 1.00 62.12 H new ATOM 0 HB3 LEU A 114 6.072 -9.219 -1.951 1.00 62.12 H new ATOM 0 HG LEU A 114 6.633 -8.103 -4.731 1.00 24.34 H new ATOM 0 HD11 LEU A 114 4.169 -7.963 -4.959 1.00 50.42 H new ATOM 0 HD12 LEU A 114 4.723 -9.643 -4.762 1.00 50.42 H new ATOM 0 HD13 LEU A 114 3.984 -8.783 -3.390 1.00 50.42 H new ATOM 0 HD21 LEU A 114 5.445 -6.081 -3.938 1.00 41.42 H new ATOM 0 HD22 LEU A 114 5.331 -6.794 -2.311 1.00 41.42 H new ATOM 0 HD23 LEU A 114 6.924 -6.396 -2.998 1.00 41.42 H new ATOM 1818 N GLU A 115 9.103 -11.031 -1.960 1.00 25.24 N ATOM 1819 CA GLU A 115 9.655 -12.156 -1.186 1.00 65.02 C ATOM 1820 C GLU A 115 11.033 -11.822 -0.568 1.00 20.01 C ATOM 1821 O GLU A 115 11.527 -12.575 0.279 1.00 72.43 O ATOM 1822 CB GLU A 115 9.766 -13.391 -2.105 1.00 24.34 C ATOM 1823 CG GLU A 115 10.659 -13.176 -3.339 1.00 32.42 C ATOM 1824 CD GLU A 115 10.738 -14.387 -4.282 1.00 24.50 C ATOM 1825 OE1 GLU A 115 11.588 -15.277 -4.062 1.00 42.54 O ATOM 1826 OE2 GLU A 115 9.947 -14.461 -5.239 1.00 21.54 O ATOM 0 H GLU A 115 9.124 -11.187 -2.968 1.00 25.24 H new ATOM 0 HA GLU A 115 8.979 -12.362 -0.356 1.00 65.02 H new ATOM 0 HB2 GLU A 115 10.159 -14.227 -1.527 1.00 24.34 H new ATOM 0 HB3 GLU A 115 8.767 -13.675 -2.437 1.00 24.34 H new ATOM 0 HG2 GLU A 115 10.285 -12.319 -3.898 1.00 32.42 H new ATOM 0 HG3 GLU A 115 11.666 -12.924 -3.005 1.00 32.42 H new ATOM 1833 N ASN A 116 11.663 -10.719 -1.023 1.00 75.23 N ATOM 1834 CA ASN A 116 12.919 -10.200 -0.437 1.00 32.03 C ATOM 1835 C ASN A 116 12.626 -9.128 0.623 1.00 61.04 C ATOM 1836 O ASN A 116 13.530 -8.732 1.371 1.00 3.24 O ATOM 1837 CB ASN A 116 13.853 -9.613 -1.528 1.00 4.42 C ATOM 1838 CG ASN A 116 14.403 -10.668 -2.484 1.00 34.43 C ATOM 1839 OD1 ASN A 116 15.417 -11.310 -2.206 1.00 50.43 O ATOM 1840 ND2 ASN A 116 13.758 -10.844 -3.617 1.00 55.12 N ATOM 0 H ASN A 116 11.317 -10.163 -1.805 1.00 75.23 H new ATOM 0 HA ASN A 116 13.426 -11.041 0.037 1.00 32.03 H new ATOM 0 HB2 ASN A 116 13.306 -8.864 -2.100 1.00 4.42 H new ATOM 0 HB3 ASN A 116 14.685 -9.100 -1.046 1.00 4.42 H new ATOM 0 HD21 ASN A 116 14.095 -11.528 -4.295 1.00 55.12 H new ATOM 0 HD22 ASN A 116 12.921 -10.297 -3.818 1.00 55.12 H new ATOM 1847 N ILE A 117 11.359 -8.657 0.685 1.00 2.33 N ATOM 1848 CA ILE A 117 10.931 -7.678 1.697 1.00 53.41 C ATOM 1849 C ILE A 117 10.498 -8.471 2.939 1.00 2.13 C ATOM 1850 O ILE A 117 9.353 -8.936 3.022 1.00 72.01 O ATOM 1851 CB ILE A 117 9.746 -6.741 1.221 1.00 32.44 C ATOM 1852 CG1 ILE A 117 10.020 -6.103 -0.172 1.00 54.20 C ATOM 1853 CG2 ILE A 117 9.479 -5.631 2.267 1.00 64.25 C ATOM 1854 CD1 ILE A 117 8.877 -5.237 -0.716 1.00 32.43 C ATOM 0 H ILE A 117 10.619 -8.943 0.044 1.00 2.33 H new ATOM 0 HA ILE A 117 11.768 -7.010 1.900 1.00 53.41 H new ATOM 0 HB ILE A 117 8.861 -7.371 1.126 1.00 32.44 H new ATOM 0 HG12 ILE A 117 10.921 -5.493 -0.106 1.00 54.20 H new ATOM 0 HG13 ILE A 117 10.226 -6.899 -0.887 1.00 54.20 H new ATOM 0 HG21 ILE A 117 8.662 -4.997 1.924 1.00 64.25 H new ATOM 0 HG22 ILE A 117 9.209 -6.086 3.220 1.00 64.25 H new ATOM 0 HG23 ILE A 117 10.378 -5.028 2.395 1.00 64.25 H new ATOM 0 HD11 ILE A 117 9.157 -4.835 -1.690 1.00 32.43 H new ATOM 0 HD12 ILE A 117 7.978 -5.844 -0.819 1.00 32.43 H new ATOM 0 HD13 ILE A 117 8.683 -4.416 -0.026 1.00 32.43 H new ATOM 1866 N LYS A 118 11.440 -8.692 3.865 1.00 43.35 N ATOM 1867 CA LYS A 118 11.181 -9.461 5.092 1.00 30.24 C ATOM 1868 C LYS A 118 10.648 -8.518 6.175 1.00 71.52 C ATOM 1869 O LYS A 118 11.064 -7.353 6.255 1.00 42.44 O ATOM 1870 CB LYS A 118 12.477 -10.182 5.571 1.00 2.52 C ATOM 1871 CG LYS A 118 13.151 -11.154 4.547 1.00 72.32 C ATOM 1872 CD LYS A 118 12.430 -12.525 4.342 1.00 43.31 C ATOM 1873 CE LYS A 118 11.187 -12.458 3.433 1.00 54.43 C ATOM 1874 NZ LYS A 118 10.596 -13.800 3.177 1.00 61.12 N ATOM 0 H LYS A 118 12.396 -8.346 3.787 1.00 43.35 H new ATOM 0 HA LYS A 118 10.433 -10.227 4.888 1.00 30.24 H new ATOM 0 HB2 LYS A 118 13.206 -9.422 5.852 1.00 2.52 H new ATOM 0 HB3 LYS A 118 12.241 -10.746 6.473 1.00 2.52 H new ATOM 0 HG2 LYS A 118 13.215 -10.650 3.583 1.00 72.32 H new ATOM 0 HG3 LYS A 118 14.173 -11.347 4.874 1.00 72.32 H new ATOM 0 HD2 LYS A 118 13.139 -13.235 3.916 1.00 43.31 H new ATOM 0 HD3 LYS A 118 12.133 -12.915 5.315 1.00 43.31 H new ATOM 0 HE2 LYS A 118 10.437 -11.816 3.895 1.00 54.43 H new ATOM 0 HE3 LYS A 118 11.459 -11.997 2.483 1.00 54.43 H new ATOM 0 HZ1 LYS A 118 9.675 -13.690 2.707 1.00 61.12 H new ATOM 0 HZ2 LYS A 118 11.233 -14.349 2.565 1.00 61.12 H new ATOM 0 HZ3 LYS A 118 10.466 -14.300 4.080 1.00 61.12 H new ATOM 1888 N ARG A 119 9.725 -9.024 7.004 1.00 73.44 N ATOM 1889 CA ARG A 119 9.144 -8.247 8.112 1.00 32.10 C ATOM 1890 C ARG A 119 10.043 -8.371 9.356 1.00 52.02 C ATOM 1891 O ARG A 119 10.723 -7.411 9.713 1.00 30.30 O ATOM 1892 CB ARG A 119 7.655 -8.645 8.368 1.00 11.55 C ATOM 1893 CG ARG A 119 7.339 -10.164 8.346 1.00 70.32 C ATOM 1894 CD ARG A 119 5.827 -10.454 8.452 1.00 52.42 C ATOM 1895 NE ARG A 119 5.245 -9.961 9.720 1.00 62.15 N ATOM 1896 CZ ARG A 119 4.419 -8.902 9.860 1.00 10.24 C ATOM 1897 NH1 ARG A 119 4.056 -8.165 8.811 1.00 40.15 N ATOM 1898 NH2 ARG A 119 3.943 -8.599 11.052 1.00 60.32 N ATOM 0 H ARG A 119 9.362 -9.974 6.929 1.00 73.44 H new ATOM 0 HA ARG A 119 9.113 -7.191 7.844 1.00 32.10 H new ATOM 0 HB2 ARG A 119 7.356 -8.247 9.337 1.00 11.55 H new ATOM 0 HB3 ARG A 119 7.035 -8.155 7.617 1.00 11.55 H new ATOM 0 HG2 ARG A 119 7.725 -10.599 7.424 1.00 70.32 H new ATOM 0 HG3 ARG A 119 7.858 -10.652 9.171 1.00 70.32 H new ATOM 0 HD2 ARG A 119 5.311 -9.987 7.613 1.00 52.42 H new ATOM 0 HD3 ARG A 119 5.659 -11.528 8.372 1.00 52.42 H new ATOM 0 HE ARG A 119 5.491 -10.470 10.569 1.00 62.15 H new ATOM 0 HH11 ARG A 119 4.403 -8.397 7.880 1.00 40.15 H new ATOM 0 HH12 ARG A 119 3.431 -7.369 8.939 1.00 40.15 H new ATOM 0 HH21 ARG A 119 4.199 -9.163 11.862 1.00 60.32 H new ATOM 0 HH22 ARG A 119 3.319 -7.800 11.164 1.00 60.32 H new ATOM 1912 N LYS A 120 10.085 -9.563 9.971 1.00 23.32 N ATOM 1913 CA LYS A 120 10.921 -9.866 11.157 1.00 3.30 C ATOM 1914 C LYS A 120 11.310 -11.350 11.124 1.00 71.50 C ATOM 1915 O LYS A 120 11.152 -12.002 10.078 1.00 74.44 O ATOM 1916 CB LYS A 120 10.171 -9.474 12.479 1.00 41.22 C ATOM 1917 CG LYS A 120 10.176 -7.956 12.773 1.00 4.32 C ATOM 1918 CD LYS A 120 9.244 -7.526 13.920 1.00 31.33 C ATOM 1919 CE LYS A 120 9.259 -6.000 14.120 1.00 32.34 C ATOM 1920 NZ LYS A 120 8.276 -5.541 15.132 1.00 52.45 N ATOM 0 H LYS A 120 9.532 -10.361 9.658 1.00 23.32 H new ATOM 0 HA LYS A 120 11.834 -9.272 11.133 1.00 3.30 H new ATOM 0 HB2 LYS A 120 9.139 -9.819 12.416 1.00 41.22 H new ATOM 0 HB3 LYS A 120 10.632 -9.998 13.316 1.00 41.22 H new ATOM 0 HG2 LYS A 120 11.194 -7.649 13.014 1.00 4.32 H new ATOM 0 HG3 LYS A 120 9.887 -7.422 11.868 1.00 4.32 H new ATOM 0 HD2 LYS A 120 8.227 -7.856 13.706 1.00 31.33 H new ATOM 0 HD3 LYS A 120 9.551 -8.018 14.843 1.00 31.33 H new ATOM 0 HE2 LYS A 120 10.258 -5.688 14.424 1.00 32.34 H new ATOM 0 HE3 LYS A 120 9.048 -5.512 13.169 1.00 32.34 H new ATOM 0 HZ1 LYS A 120 8.681 -4.753 15.676 1.00 52.45 H new ATOM 0 HZ2 LYS A 120 7.409 -5.223 14.654 1.00 52.45 H new ATOM 0 HZ3 LYS A 120 8.049 -6.325 15.776 1.00 52.45 H new ATOM 1934 N VAL A 121 11.830 -11.866 12.266 1.00 54.34 N ATOM 1935 CA VAL A 121 12.319 -13.255 12.403 1.00 12.22 C ATOM 1936 C VAL A 121 11.279 -14.293 11.903 1.00 74.05 C ATOM 1937 O VAL A 121 11.628 -15.244 11.193 1.00 31.22 O ATOM 1938 CB VAL A 121 12.748 -13.551 13.896 1.00 75.51 C ATOM 1939 CG1 VAL A 121 11.575 -13.379 14.891 1.00 1.42 C ATOM 1940 CG2 VAL A 121 13.405 -14.945 14.047 1.00 5.10 C ATOM 0 H VAL A 121 11.921 -11.322 13.124 1.00 54.34 H new ATOM 0 HA VAL A 121 13.197 -13.355 11.766 1.00 12.22 H new ATOM 0 HB VAL A 121 13.499 -12.803 14.149 1.00 75.51 H new ATOM 0 HG11 VAL A 121 11.921 -13.594 15.902 1.00 1.42 H new ATOM 0 HG12 VAL A 121 11.205 -12.355 14.844 1.00 1.42 H new ATOM 0 HG13 VAL A 121 10.772 -14.067 14.629 1.00 1.42 H new ATOM 0 HG21 VAL A 121 13.683 -15.105 15.089 1.00 5.10 H new ATOM 0 HG22 VAL A 121 12.699 -15.716 13.738 1.00 5.10 H new ATOM 0 HG23 VAL A 121 14.296 -14.997 13.421 1.00 5.10 H new ATOM 1950 N THR A 122 10.001 -14.061 12.241 1.00 21.35 N ATOM 1951 CA THR A 122 8.875 -14.899 11.814 1.00 52.45 C ATOM 1952 C THR A 122 8.075 -14.172 10.714 1.00 62.31 C ATOM 1953 O THR A 122 7.808 -12.963 10.814 1.00 15.44 O ATOM 1954 CB THR A 122 7.950 -15.263 13.033 1.00 0.42 C ATOM 1955 OG1 THR A 122 6.810 -16.023 12.593 1.00 33.45 O ATOM 1956 CG2 THR A 122 7.475 -14.018 13.818 1.00 14.14 C ATOM 0 H THR A 122 9.719 -13.275 12.827 1.00 21.35 H new ATOM 0 HA THR A 122 9.265 -15.832 11.408 1.00 52.45 H new ATOM 0 HB THR A 122 8.555 -15.865 13.711 1.00 0.42 H new ATOM 0 HG1 THR A 122 6.921 -16.961 12.855 1.00 33.45 H new ATOM 0 HG21 THR A 122 6.840 -14.331 14.647 1.00 14.14 H new ATOM 0 HG22 THR A 122 8.340 -13.481 14.206 1.00 14.14 H new ATOM 0 HG23 THR A 122 6.909 -13.364 13.155 1.00 14.14 H new ATOM 1964 N SER A 123 7.738 -14.901 9.642 1.00 23.21 N ATOM 1965 CA SER A 123 6.873 -14.400 8.573 1.00 13.44 C ATOM 1966 C SER A 123 5.436 -14.872 8.842 1.00 4.11 C ATOM 1967 O SER A 123 5.104 -16.049 8.623 1.00 25.52 O ATOM 1968 CB SER A 123 7.373 -14.883 7.203 1.00 1.11 C ATOM 1969 OG SER A 123 6.564 -14.386 6.150 1.00 63.24 O ATOM 0 H SER A 123 8.060 -15.857 9.494 1.00 23.21 H new ATOM 0 HA SER A 123 6.894 -13.310 8.557 1.00 13.44 H new ATOM 0 HB2 SER A 123 8.403 -14.559 7.056 1.00 1.11 H new ATOM 0 HB3 SER A 123 7.375 -15.973 7.179 1.00 1.11 H new ATOM 0 HG SER A 123 6.909 -14.710 5.292 1.00 63.24 H new ATOM 1975 N VAL A 124 4.617 -13.950 9.371 1.00 62.04 N ATOM 1976 CA VAL A 124 3.218 -14.202 9.732 1.00 35.44 C ATOM 1977 C VAL A 124 2.424 -12.873 9.662 1.00 75.23 C ATOM 1978 O VAL A 124 2.490 -12.026 10.563 1.00 50.41 O ATOM 1979 CB VAL A 124 3.106 -14.911 11.147 1.00 21.33 C ATOM 1980 CG1 VAL A 124 3.902 -14.170 12.240 1.00 2.53 C ATOM 1981 CG2 VAL A 124 1.634 -15.122 11.571 1.00 70.42 C ATOM 0 H VAL A 124 4.915 -12.994 9.562 1.00 62.04 H new ATOM 0 HA VAL A 124 2.776 -14.896 9.017 1.00 35.44 H new ATOM 0 HB VAL A 124 3.560 -15.895 11.033 1.00 21.33 H new ATOM 0 HG11 VAL A 124 3.793 -14.695 13.189 1.00 2.53 H new ATOM 0 HG12 VAL A 124 4.956 -14.136 11.963 1.00 2.53 H new ATOM 0 HG13 VAL A 124 3.521 -13.154 12.342 1.00 2.53 H new ATOM 0 HG21 VAL A 124 1.602 -15.610 12.545 1.00 70.42 H new ATOM 0 HG22 VAL A 124 1.131 -14.157 11.632 1.00 70.42 H new ATOM 0 HG23 VAL A 124 1.129 -15.748 10.835 1.00 70.42 H new ATOM 1991 N SER A 125 1.742 -12.689 8.524 1.00 55.35 N ATOM 1992 CA SER A 125 0.885 -11.530 8.238 1.00 61.12 C ATOM 1993 C SER A 125 0.102 -11.855 6.952 1.00 50.32 C ATOM 1994 O SER A 125 0.740 -11.888 5.881 1.00 75.54 O ATOM 1995 CB SER A 125 1.727 -10.238 8.057 1.00 43.43 C ATOM 1996 OG SER A 125 0.918 -9.083 7.885 1.00 71.32 O ATOM 1997 OXT SER A 125 -1.115 -12.128 7.018 1.00 38.20 O ATOM 0 H SER A 125 1.772 -13.360 7.756 1.00 55.35 H new ATOM 0 HA SER A 125 0.206 -11.346 9.071 1.00 61.12 H new ATOM 0 HB2 SER A 125 2.370 -10.102 8.927 1.00 43.43 H new ATOM 0 HB3 SER A 125 2.381 -10.352 7.192 1.00 43.43 H new ATOM 0 HG SER A 125 1.491 -8.295 7.777 1.00 71.32 H new TER 2003 SER A 125