USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 975 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 108 LYS NZ :NH3+ 165:sc= -1.49! (180deg=-1.21) USER MOD Set 1.2: A 124 THR OG1 : rot 19:sc= -1.75! USER MOD Set 2.1: A 94 THR OG1 : rot -144:sc= -1.56! USER MOD Set 2.2: A 96 TYR OH : rot 94:sc= 0.606 USER MOD Set 3.1: A 9 THR OG1 : rot 94:sc= -0.102 USER MOD Set 3.2: A 51 LYS NZ :NH3+ -122:sc= -1.3 (180deg=-1.39) USER MOD Set 4.1: A 43 HIS : no HD1:sc= -3.24! C(o=-11!,f=-21!) USER MOD Set 4.2: A 45 ASN : amide:sc= -7.59! C(o=-11!,f=-19!) USER MOD Set 5.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0285) USER MOD Single : A 1 GLU N :NH3+ -159:sc= -0.0418 (180deg=-0.45) USER MOD Single : A 2 LYS NZ :NH3+ 173:sc= 0.251 (180deg=0.226) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -16:sc= 0.409! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -120:sc= -2.74! USER MOD Single : A 14 THR OG1 : rot -38:sc= 0.472 USER MOD Single : A 17 SER OG : rot 180:sc= -0.883 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc=-0.00287 USER MOD Single : A 23 ASN : amide:sc= -1.03 K(o=-1,f=-2.9!) USER MOD Single : A 27 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00936 USER MOD Single : A 31 ASN : amide:sc= -0.0349 K(o=-0.035,f=-2!) USER MOD Single : A 32 ASN : amide:sc= -2.21! C(o=-2.2!,f=-11!) USER MOD Single : A 33 GLN : amide:sc=-0.00153 X(o=-0.0015,f=-0.36) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= 0.0615 K(o=0.061,f=-4.3!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.89 K(o=-1.9,f=-2.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.054) USER MOD Single : A 74 ASN : amide:sc= -0.113 K(o=-0.11,f=-1.6!) USER MOD Single : A 76 ASN : amide:sc= -5.28! C(o=-5.3!,f=-15!) USER MOD Single : A 79 ASN : amide:sc= -0.0433 K(o=-0.043,f=-2.2!) USER MOD Single : A 80 LYS NZ :NH3+ -145:sc= 1.29 (180deg=0.916) USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.041) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.0577 K(o=-0.058,f=-2!) USER MOD Single : A 88 MET CE :methyl 151:sc= -0.0388 (180deg=-0.437) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.322 K(o=-0.32,f=-3.5!) USER MOD Single : A 93 ASN : amide:sc= -2.6! C(o=-2.6!,f=-5.4!) USER MOD Single : A 97 SER OG : rot -16:sc= 0.785 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0228 K(o=-0.023,f=-1.8!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -176:sc= 0.152! (180deg=-0.0132) USER MOD Single : A 117 ASN : amide:sc= -0.089 K(o=-0.089,f=-1.2!) USER MOD Single : A 119 LYS NZ :NH3+ -115:sc= 0.289 (180deg=-1.88!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.850 15.206 -5.655 1.00 0.00 N ATOM 2 CA GLU A 1 116.741 14.210 -6.313 1.00 0.00 C ATOM 3 C GLU A 1 116.240 12.797 -6.005 1.00 0.00 C ATOM 4 O GLU A 1 115.274 12.332 -6.576 1.00 0.00 O ATOM 5 CB GLU A 1 118.167 14.372 -5.783 1.00 0.00 C ATOM 6 CG GLU A 1 118.736 15.715 -6.249 1.00 0.00 C ATOM 7 CD GLU A 1 120.130 15.913 -5.652 1.00 0.00 C ATOM 8 OE1 GLU A 1 120.582 15.027 -4.945 1.00 0.00 O ATOM 9 OE2 GLU A 1 120.724 16.946 -5.915 1.00 0.00 O ATOM 0 H1 GLU A 1 115.951 16.127 -6.127 1.00 0.00 H new ATOM 0 H2 GLU A 1 114.862 14.888 -5.725 1.00 0.00 H new ATOM 0 H3 GLU A 1 116.114 15.299 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 1 116.734 14.372 -7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 1 118.169 14.322 -4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 1 118.794 13.555 -6.141 1.00 0.00 H new ATOM 0 HG2 GLU A 1 118.788 15.742 -7.337 1.00 0.00 H new ATOM 0 HG3 GLU A 1 118.078 16.527 -5.941 1.00 0.00 H new ATOM 18 N LYS A 2 116.889 12.112 -5.104 1.00 0.00 N ATOM 19 CA LYS A 2 116.448 10.732 -4.756 1.00 0.00 C ATOM 20 C LYS A 2 116.618 10.509 -3.248 1.00 0.00 C ATOM 21 O LYS A 2 117.454 11.120 -2.613 1.00 0.00 O ATOM 22 CB LYS A 2 117.283 9.714 -5.533 1.00 0.00 C ATOM 23 CG LYS A 2 117.000 9.864 -7.031 1.00 0.00 C ATOM 24 CD LYS A 2 117.797 8.816 -7.815 1.00 0.00 C ATOM 25 CE LYS A 2 116.976 7.529 -7.932 1.00 0.00 C ATOM 26 NZ LYS A 2 116.002 7.661 -9.052 1.00 0.00 N ATOM 0 H LYS A 2 117.706 12.448 -4.594 1.00 0.00 H new ATOM 0 HA LYS A 2 115.399 10.605 -5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.343 9.869 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.042 8.703 -5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 2 115.934 9.743 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.272 10.866 -7.364 1.00 0.00 H new ATOM 0 HD2 LYS A 2 118.039 9.196 -8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 2 118.742 8.612 -7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.635 6.679 -8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.448 7.335 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 115.528 6.749 -9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 115.293 8.383 -8.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 116.505 7.943 -9.918 1.00 0.00 H new ATOM 40 N VAL A 3 115.824 9.651 -2.674 1.00 0.00 N ATOM 41 CA VAL A 3 115.923 9.393 -1.208 1.00 0.00 C ATOM 42 C VAL A 3 116.942 8.287 -0.930 1.00 0.00 C ATOM 43 O VAL A 3 116.973 7.277 -1.601 1.00 0.00 O ATOM 44 CB VAL A 3 114.557 8.955 -0.680 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.665 8.616 0.809 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.544 10.086 -0.876 1.00 0.00 C ATOM 0 H VAL A 3 115.106 9.113 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 3 116.244 10.308 -0.710 1.00 0.00 H new ATOM 0 HB VAL A 3 114.225 8.073 -1.228 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.690 8.304 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.382 7.807 0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 3 115.000 9.495 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.571 9.772 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.876 10.970 -0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.463 10.322 -1.937 1.00 0.00 H new ATOM 56 N LYS A 4 117.777 8.465 0.059 1.00 0.00 N ATOM 57 CA LYS A 4 118.773 7.404 0.367 1.00 0.00 C ATOM 58 C LYS A 4 118.033 6.186 0.922 1.00 0.00 C ATOM 59 O LYS A 4 117.285 6.279 1.882 1.00 0.00 O ATOM 60 CB LYS A 4 119.768 7.911 1.415 1.00 0.00 C ATOM 61 CG LYS A 4 120.507 9.145 0.888 1.00 0.00 C ATOM 62 CD LYS A 4 121.378 8.754 -0.309 1.00 0.00 C ATOM 63 CE LYS A 4 122.429 9.837 -0.549 1.00 0.00 C ATOM 64 NZ LYS A 4 123.309 9.429 -1.680 1.00 0.00 N ATOM 0 H LYS A 4 117.811 9.289 0.659 1.00 0.00 H new ATOM 0 HA LYS A 4 119.316 7.137 -0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.242 8.159 2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.484 7.126 1.658 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.790 9.912 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 4 121.126 9.574 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 4 121.863 7.796 -0.122 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.759 8.629 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.944 10.787 -0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 4 123.023 9.989 0.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 124.025 10.165 -1.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.781 8.532 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 122.736 9.305 -2.539 1.00 0.00 H new ATOM 78 N GLY A 5 118.230 5.043 0.327 1.00 0.00 N ATOM 79 CA GLY A 5 117.529 3.830 0.819 1.00 0.00 C ATOM 80 C GLY A 5 117.819 2.655 -0.111 1.00 0.00 C ATOM 81 O GLY A 5 118.517 2.791 -1.095 1.00 0.00 O ATOM 0 H GLY A 5 118.844 4.899 -0.475 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.857 3.594 1.831 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.455 4.013 0.866 1.00 0.00 H new ATOM 85 N CYS A 6 117.285 1.501 0.197 1.00 0.00 N ATOM 86 CA CYS A 6 117.526 0.311 -0.664 1.00 0.00 C ATOM 87 C CYS A 6 116.194 -0.187 -1.225 1.00 0.00 C ATOM 88 O CYS A 6 115.219 -0.338 -0.508 1.00 0.00 O ATOM 89 CB CYS A 6 118.172 -0.789 0.175 1.00 0.00 C ATOM 90 SG CYS A 6 119.077 -1.927 -0.904 1.00 0.00 S ATOM 0 H CYS A 6 116.692 1.334 1.010 1.00 0.00 H new ATOM 0 HA CYS A 6 118.187 0.578 -1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.850 -0.350 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.408 -1.331 0.732 1.00 0.00 H new ATOM 95 N ASP A 7 116.147 -0.442 -2.503 1.00 0.00 N ATOM 96 CA ASP A 7 114.886 -0.937 -3.126 1.00 0.00 C ATOM 97 C ASP A 7 115.058 -2.407 -3.515 1.00 0.00 C ATOM 98 O ASP A 7 115.770 -2.734 -4.444 1.00 0.00 O ATOM 99 CB ASP A 7 114.577 -0.110 -4.375 1.00 0.00 C ATOM 100 CG ASP A 7 113.124 -0.343 -4.793 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.556 -1.333 -4.363 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.604 0.475 -5.535 1.00 0.00 O ATOM 0 H ASP A 7 116.931 -0.329 -3.146 1.00 0.00 H new ATOM 0 HA ASP A 7 114.064 -0.841 -2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.744 0.948 -4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.249 -0.390 -5.186 1.00 0.00 H new ATOM 107 N PHE A 8 114.406 -3.296 -2.819 1.00 0.00 N ATOM 108 CA PHE A 8 114.527 -4.743 -3.157 1.00 0.00 C ATOM 109 C PHE A 8 113.463 -5.100 -4.196 1.00 0.00 C ATOM 110 O PHE A 8 113.346 -6.231 -4.626 1.00 0.00 O ATOM 111 CB PHE A 8 114.314 -5.587 -1.898 1.00 0.00 C ATOM 112 CG PHE A 8 115.415 -5.311 -0.902 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.713 -5.772 -1.147 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.133 -4.598 0.269 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.731 -5.519 -0.220 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.151 -4.346 1.197 1.00 0.00 C ATOM 117 CZ PHE A 8 117.450 -4.806 0.952 1.00 0.00 C ATOM 0 H PHE A 8 113.794 -3.084 -2.031 1.00 0.00 H new ATOM 0 HA PHE A 8 115.520 -4.944 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.345 -5.357 -1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.303 -6.646 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.929 -6.323 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.131 -4.242 0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.733 -5.874 -0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.934 -3.797 2.101 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.236 -4.611 1.667 1.00 0.00 H new ATOM 127 N THR A 9 112.668 -4.139 -4.581 1.00 0.00 N ATOM 128 CA THR A 9 111.587 -4.414 -5.570 1.00 0.00 C ATOM 129 C THR A 9 112.027 -3.997 -6.977 1.00 0.00 C ATOM 130 O THR A 9 111.445 -4.410 -7.960 1.00 0.00 O ATOM 131 CB THR A 9 110.340 -3.620 -5.175 1.00 0.00 C ATOM 132 OG1 THR A 9 110.087 -3.797 -3.788 1.00 0.00 O ATOM 133 CG2 THR A 9 109.138 -4.114 -5.981 1.00 0.00 C ATOM 0 H THR A 9 112.720 -3.175 -4.253 1.00 0.00 H new ATOM 0 HA THR A 9 111.371 -5.482 -5.573 1.00 0.00 H new ATOM 0 HB THR A 9 110.503 -2.563 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 9 110.505 -3.068 -3.284 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.252 -3.547 -5.697 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.332 -3.976 -7.045 1.00 0.00 H new ATOM 0 HG23 THR A 9 108.973 -5.172 -5.776 1.00 0.00 H new ATOM 141 N THR A 10 113.034 -3.174 -7.092 1.00 0.00 N ATOM 142 CA THR A 10 113.475 -2.741 -8.448 1.00 0.00 C ATOM 143 C THR A 10 114.925 -2.254 -8.406 1.00 0.00 C ATOM 144 O THR A 10 115.280 -1.397 -7.620 1.00 0.00 O ATOM 145 CB THR A 10 112.571 -1.602 -8.930 1.00 0.00 C ATOM 146 OG1 THR A 10 111.217 -2.033 -8.911 1.00 0.00 O ATOM 147 CG2 THR A 10 112.960 -1.204 -10.355 1.00 0.00 C ATOM 0 H THR A 10 113.566 -2.786 -6.313 1.00 0.00 H new ATOM 0 HA THR A 10 113.407 -3.587 -9.131 1.00 0.00 H new ATOM 0 HB THR A 10 112.689 -0.742 -8.270 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.186 -3.010 -8.843 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.315 -0.394 -10.695 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.998 -0.872 -10.370 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.844 -2.062 -11.017 1.00 0.00 H new ATOM 155 N SER A 11 115.762 -2.789 -9.255 1.00 0.00 N ATOM 156 CA SER A 11 117.184 -2.346 -9.265 1.00 0.00 C ATOM 157 C SER A 11 117.244 -0.877 -9.680 1.00 0.00 C ATOM 158 O SER A 11 118.152 -0.154 -9.320 1.00 0.00 O ATOM 159 CB SER A 11 117.977 -3.190 -10.264 1.00 0.00 C ATOM 160 OG SER A 11 117.404 -3.045 -11.557 1.00 0.00 O ATOM 0 H SER A 11 115.523 -3.509 -9.937 1.00 0.00 H new ATOM 0 HA SER A 11 117.614 -2.468 -8.271 1.00 0.00 H new ATOM 0 HB2 SER A 11 119.020 -2.874 -10.278 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.965 -4.238 -9.963 1.00 0.00 H new ATOM 0 HG SER A 11 117.910 -3.583 -12.201 1.00 0.00 H new ATOM 166 N GLU A 12 116.272 -0.433 -10.430 1.00 0.00 N ATOM 167 CA GLU A 12 116.248 0.991 -10.871 1.00 0.00 C ATOM 168 C GLU A 12 115.067 1.697 -10.209 1.00 0.00 C ATOM 169 O GLU A 12 114.063 1.974 -10.838 1.00 0.00 O ATOM 170 CB GLU A 12 116.086 1.045 -12.394 1.00 0.00 C ATOM 171 CG GLU A 12 117.320 0.438 -13.065 1.00 0.00 C ATOM 172 CD GLU A 12 118.550 1.283 -12.732 1.00 0.00 C ATOM 173 OE1 GLU A 12 118.371 2.425 -12.341 1.00 0.00 O ATOM 174 OE2 GLU A 12 119.650 0.776 -12.875 1.00 0.00 O ATOM 0 H GLU A 12 115.489 -0.999 -10.758 1.00 0.00 H new ATOM 0 HA GLU A 12 117.178 1.484 -10.586 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.191 0.499 -12.694 1.00 0.00 H new ATOM 0 HB3 GLU A 12 115.954 2.077 -12.719 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.466 -0.586 -12.723 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.176 0.396 -14.145 1.00 0.00 H new ATOM 181 N SER A 13 115.169 1.979 -8.941 1.00 0.00 N ATOM 182 CA SER A 13 114.044 2.652 -8.237 1.00 0.00 C ATOM 183 C SER A 13 113.908 4.096 -8.721 1.00 0.00 C ATOM 184 O SER A 13 114.868 4.728 -9.118 1.00 0.00 O ATOM 185 CB SER A 13 114.314 2.650 -6.732 1.00 0.00 C ATOM 186 OG SER A 13 115.436 3.477 -6.457 1.00 0.00 O ATOM 0 H SER A 13 115.983 1.772 -8.362 1.00 0.00 H new ATOM 0 HA SER A 13 113.120 2.114 -8.450 1.00 0.00 H new ATOM 0 HB2 SER A 13 113.439 3.013 -6.193 1.00 0.00 H new ATOM 0 HB3 SER A 13 114.503 1.634 -6.386 1.00 0.00 H new ATOM 0 HG SER A 13 116.139 2.944 -6.030 1.00 0.00 H new ATOM 192 N THR A 14 112.719 4.622 -8.674 1.00 0.00 N ATOM 193 CA THR A 14 112.497 6.030 -9.108 1.00 0.00 C ATOM 194 C THR A 14 112.400 6.913 -7.866 1.00 0.00 C ATOM 195 O THR A 14 112.199 8.107 -7.951 1.00 0.00 O ATOM 196 CB THR A 14 111.196 6.120 -9.905 1.00 0.00 C ATOM 197 OG1 THR A 14 111.031 7.444 -10.393 1.00 0.00 O ATOM 198 CG2 THR A 14 110.014 5.757 -9.004 1.00 0.00 C ATOM 0 H THR A 14 111.883 4.134 -8.351 1.00 0.00 H new ATOM 0 HA THR A 14 113.323 6.362 -9.737 1.00 0.00 H new ATOM 0 HB THR A 14 111.237 5.425 -10.744 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.339 8.083 -9.716 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.088 5.822 -9.575 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.140 4.741 -8.631 1.00 0.00 H new ATOM 0 HG23 THR A 14 109.971 6.449 -8.163 1.00 0.00 H new ATOM 206 N ILE A 15 112.538 6.321 -6.709 1.00 0.00 N ATOM 207 CA ILE A 15 112.454 7.104 -5.442 1.00 0.00 C ATOM 208 C ILE A 15 113.713 6.893 -4.597 1.00 0.00 C ATOM 209 O ILE A 15 114.018 7.687 -3.731 1.00 0.00 O ATOM 210 CB ILE A 15 111.221 6.654 -4.655 1.00 0.00 C ATOM 211 CG1 ILE A 15 111.110 5.129 -4.713 1.00 0.00 C ATOM 212 CG2 ILE A 15 109.965 7.278 -5.269 1.00 0.00 C ATOM 213 CD1 ILE A 15 110.208 4.639 -3.580 1.00 0.00 C ATOM 0 H ILE A 15 112.706 5.322 -6.587 1.00 0.00 H new ATOM 0 HA ILE A 15 112.373 8.164 -5.682 1.00 0.00 H new ATOM 0 HB ILE A 15 111.316 6.975 -3.618 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.703 4.820 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 15 112.099 4.678 -4.626 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.088 6.957 -4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.043 8.365 -5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.869 6.957 -6.306 1.00 0.00 H new ATOM 0 HD11 ILE A 15 110.129 3.553 -3.622 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.634 4.935 -2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 15 109.217 5.079 -3.688 1.00 0.00 H new ATOM 225 N PHE A 16 114.437 5.824 -4.830 1.00 0.00 N ATOM 226 CA PHE A 16 115.669 5.560 -4.022 1.00 0.00 C ATOM 227 C PHE A 16 116.910 5.602 -4.916 1.00 0.00 C ATOM 228 O PHE A 16 116.881 5.212 -6.065 1.00 0.00 O ATOM 229 CB PHE A 16 115.568 4.183 -3.360 1.00 0.00 C ATOM 230 CG PHE A 16 114.591 4.241 -2.209 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.946 4.890 -1.020 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.330 3.648 -2.331 1.00 0.00 C ATOM 233 CE1 PHE A 16 114.041 4.942 0.046 1.00 0.00 C ATOM 234 CE2 PHE A 16 112.425 3.702 -1.263 1.00 0.00 C ATOM 235 CZ PHE A 16 112.781 4.347 -0.076 1.00 0.00 C ATOM 0 H PHE A 16 114.228 5.125 -5.543 1.00 0.00 H new ATOM 0 HA PHE A 16 115.755 6.330 -3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.242 3.441 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.548 3.868 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.918 5.350 -0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 16 113.054 3.149 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 16 114.315 5.442 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.451 3.245 -1.357 1.00 0.00 H new ATOM 0 HZ PHE A 16 112.083 4.386 0.747 1.00 0.00 H new ATOM 245 N SER A 17 117.998 6.092 -4.390 1.00 0.00 N ATOM 246 CA SER A 17 119.252 6.183 -5.195 1.00 0.00 C ATOM 247 C SER A 17 119.857 4.790 -5.408 1.00 0.00 C ATOM 248 O SER A 17 120.693 4.604 -6.270 1.00 0.00 O ATOM 249 CB SER A 17 120.263 7.059 -4.461 1.00 0.00 C ATOM 250 OG SER A 17 119.939 8.427 -4.666 1.00 0.00 O ATOM 0 H SER A 17 118.074 6.435 -3.433 1.00 0.00 H new ATOM 0 HA SER A 17 119.013 6.618 -6.165 1.00 0.00 H new ATOM 0 HB2 SER A 17 120.255 6.828 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 17 121.270 6.854 -4.824 1.00 0.00 H new ATOM 0 HG SER A 17 120.587 8.991 -4.194 1.00 0.00 H new ATOM 256 N LYS A 18 119.466 3.815 -4.628 1.00 0.00 N ATOM 257 CA LYS A 18 120.052 2.447 -4.797 1.00 0.00 C ATOM 258 C LYS A 18 118.957 1.379 -4.756 1.00 0.00 C ATOM 259 O LYS A 18 117.981 1.494 -4.041 1.00 0.00 O ATOM 260 CB LYS A 18 121.054 2.187 -3.675 1.00 0.00 C ATOM 261 CG LYS A 18 122.041 1.102 -4.116 1.00 0.00 C ATOM 262 CD LYS A 18 123.127 0.928 -3.050 1.00 0.00 C ATOM 263 CE LYS A 18 124.143 2.071 -3.148 1.00 0.00 C ATOM 264 NZ LYS A 18 125.353 1.725 -2.355 1.00 0.00 N ATOM 0 H LYS A 18 118.772 3.903 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 18 120.551 2.397 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 18 121.590 3.104 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 18 120.532 1.873 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.515 0.160 -4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.494 1.374 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 18 122.676 0.915 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 18 123.630 -0.030 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 18 124.414 2.243 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 18 123.703 2.996 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.044 2.500 -2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 125.087 1.581 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.776 0.852 -2.730 1.00 0.00 H new ATOM 278 N GLY A 19 119.120 0.332 -5.517 1.00 0.00 N ATOM 279 CA GLY A 19 118.098 -0.751 -5.527 1.00 0.00 C ATOM 280 C GLY A 19 118.722 -2.042 -6.062 1.00 0.00 C ATOM 281 O GLY A 19 119.850 -2.057 -6.510 1.00 0.00 O ATOM 0 H GLY A 19 119.918 0.180 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.714 -0.911 -4.520 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.251 -0.460 -6.149 1.00 0.00 H new ATOM 285 N TYR A 20 117.994 -3.128 -6.012 1.00 0.00 N ATOM 286 CA TYR A 20 118.536 -4.426 -6.512 1.00 0.00 C ATOM 287 C TYR A 20 117.512 -5.088 -7.438 1.00 0.00 C ATOM 288 O TYR A 20 116.350 -4.732 -7.455 1.00 0.00 O ATOM 289 CB TYR A 20 118.814 -5.355 -5.329 1.00 0.00 C ATOM 290 CG TYR A 20 120.057 -4.900 -4.603 1.00 0.00 C ATOM 291 CD1 TYR A 20 120.006 -3.784 -3.761 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.256 -5.603 -4.763 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.156 -3.368 -3.081 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.407 -5.186 -4.084 1.00 0.00 C ATOM 295 CZ TYR A 20 122.357 -4.070 -3.242 1.00 0.00 C ATOM 296 OH TYR A 20 123.491 -3.659 -2.570 1.00 0.00 O ATOM 0 H TYR A 20 117.043 -3.171 -5.645 1.00 0.00 H new ATOM 0 HA TYR A 20 119.460 -4.241 -7.059 1.00 0.00 H new ATOM 0 HB2 TYR A 20 117.963 -5.356 -4.647 1.00 0.00 H new ATOM 0 HB3 TYR A 20 118.941 -6.379 -5.681 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.079 -3.244 -3.636 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.294 -6.467 -5.410 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.117 -2.506 -2.432 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.334 -5.726 -4.210 1.00 0.00 H new ATOM 0 HH TYR A 20 124.237 -4.255 -2.792 1.00 0.00 H new ATOM 306 N SER A 21 117.936 -6.056 -8.203 1.00 0.00 N ATOM 307 CA SER A 21 116.990 -6.752 -9.122 1.00 0.00 C ATOM 308 C SER A 21 116.468 -8.019 -8.439 1.00 0.00 C ATOM 309 O SER A 21 117.135 -8.603 -7.606 1.00 0.00 O ATOM 310 CB SER A 21 117.717 -7.132 -10.412 1.00 0.00 C ATOM 311 OG SER A 21 116.915 -8.041 -11.154 1.00 0.00 O ATOM 0 H SER A 21 118.897 -6.396 -8.232 1.00 0.00 H new ATOM 0 HA SER A 21 116.156 -6.091 -9.359 1.00 0.00 H new ATOM 0 HB2 SER A 21 117.919 -6.240 -11.005 1.00 0.00 H new ATOM 0 HB3 SER A 21 118.681 -7.586 -10.180 1.00 0.00 H new ATOM 0 HG SER A 21 117.378 -8.285 -11.982 1.00 0.00 H new ATOM 317 N ILE A 22 115.280 -8.450 -8.778 1.00 0.00 N ATOM 318 CA ILE A 22 114.725 -9.675 -8.137 1.00 0.00 C ATOM 319 C ILE A 22 115.652 -10.860 -8.417 1.00 0.00 C ATOM 320 O ILE A 22 115.786 -11.757 -7.610 1.00 0.00 O ATOM 321 CB ILE A 22 113.330 -9.964 -8.698 1.00 0.00 C ATOM 322 CG1 ILE A 22 113.411 -10.155 -10.214 1.00 0.00 C ATOM 323 CG2 ILE A 22 112.402 -8.792 -8.382 1.00 0.00 C ATOM 324 CD1 ILE A 22 112.042 -10.582 -10.745 1.00 0.00 C ATOM 0 H ILE A 22 114.674 -8.007 -9.469 1.00 0.00 H new ATOM 0 HA ILE A 22 114.651 -9.520 -7.061 1.00 0.00 H new ATOM 0 HB ILE A 22 112.940 -10.873 -8.241 1.00 0.00 H new ATOM 0 HG12 ILE A 22 113.726 -9.228 -10.692 1.00 0.00 H new ATOM 0 HG13 ILE A 22 114.159 -10.909 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 22 111.409 -8.997 -8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 22 112.339 -8.659 -7.302 1.00 0.00 H new ATOM 0 HG23 ILE A 22 112.796 -7.883 -8.837 1.00 0.00 H new ATOM 0 HD11 ILE A 22 112.097 -10.719 -11.825 1.00 0.00 H new ATOM 0 HD12 ILE A 22 111.746 -11.520 -10.275 1.00 0.00 H new ATOM 0 HD13 ILE A 22 111.306 -9.812 -10.514 1.00 0.00 H new ATOM 336 N ASN A 23 116.301 -10.865 -9.547 1.00 0.00 N ATOM 337 CA ASN A 23 117.226 -11.988 -9.875 1.00 0.00 C ATOM 338 C ASN A 23 118.409 -11.976 -8.907 1.00 0.00 C ATOM 339 O ASN A 23 118.882 -13.008 -8.476 1.00 0.00 O ATOM 340 CB ASN A 23 117.737 -11.833 -11.308 1.00 0.00 C ATOM 341 CG ASN A 23 118.733 -12.952 -11.618 1.00 0.00 C ATOM 342 OD1 ASN A 23 118.885 -13.878 -10.846 1.00 0.00 O ATOM 343 ND2 ASN A 23 119.424 -12.907 -12.724 1.00 0.00 N ATOM 0 H ASN A 23 116.232 -10.139 -10.260 1.00 0.00 H new ATOM 0 HA ASN A 23 116.691 -12.933 -9.783 1.00 0.00 H new ATOM 0 HB2 ASN A 23 116.903 -11.869 -12.009 1.00 0.00 H new ATOM 0 HB3 ASN A 23 118.215 -10.861 -11.432 1.00 0.00 H new ATOM 0 HD21 ASN A 23 120.091 -13.648 -12.939 1.00 0.00 H new ATOM 0 HD22 ASN A 23 119.298 -12.130 -13.373 1.00 0.00 H new ATOM 350 N GLU A 24 118.897 -10.812 -8.573 1.00 0.00 N ATOM 351 CA GLU A 24 120.060 -10.727 -7.644 1.00 0.00 C ATOM 352 C GLU A 24 119.667 -11.238 -6.256 1.00 0.00 C ATOM 353 O GLU A 24 120.408 -11.969 -5.627 1.00 0.00 O ATOM 354 CB GLU A 24 120.523 -9.272 -7.536 1.00 0.00 C ATOM 355 CG GLU A 24 121.136 -8.831 -8.867 1.00 0.00 C ATOM 356 CD GLU A 24 121.535 -7.357 -8.783 1.00 0.00 C ATOM 357 OE1 GLU A 24 121.335 -6.768 -7.734 1.00 0.00 O ATOM 358 OE2 GLU A 24 122.034 -6.841 -9.769 1.00 0.00 O ATOM 0 H GLU A 24 118.540 -9.916 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 24 120.869 -11.344 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 24 119.681 -8.629 -7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 24 121.255 -9.171 -6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 24 122.009 -9.442 -9.098 1.00 0.00 H new ATOM 0 HG3 GLU A 24 120.420 -8.979 -9.676 1.00 0.00 H new ATOM 365 N ILE A 25 118.516 -10.866 -5.767 1.00 0.00 N ATOM 366 CA ILE A 25 118.102 -11.345 -4.418 1.00 0.00 C ATOM 367 C ILE A 25 117.418 -12.707 -4.542 1.00 0.00 C ATOM 368 O ILE A 25 117.319 -13.451 -3.584 1.00 0.00 O ATOM 369 CB ILE A 25 117.138 -10.337 -3.786 1.00 0.00 C ATOM 370 CG1 ILE A 25 115.986 -10.049 -4.748 1.00 0.00 C ATOM 371 CG2 ILE A 25 117.886 -9.036 -3.488 1.00 0.00 C ATOM 372 CD1 ILE A 25 114.910 -9.232 -4.027 1.00 0.00 C ATOM 0 H ILE A 25 117.849 -10.256 -6.239 1.00 0.00 H new ATOM 0 HA ILE A 25 118.984 -11.443 -3.785 1.00 0.00 H new ATOM 0 HB ILE A 25 116.740 -10.753 -2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 25 116.352 -9.502 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 25 115.563 -10.984 -5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 25 117.201 -8.317 -3.038 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.705 -9.237 -2.798 1.00 0.00 H new ATOM 0 HG23 ILE A 25 118.285 -8.625 -4.415 1.00 0.00 H new ATOM 0 HD11 ILE A 25 114.088 -9.027 -4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.537 -9.796 -3.172 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.338 -8.291 -3.682 1.00 0.00 H new ATOM 384 N SER A 26 116.957 -13.048 -5.714 1.00 0.00 N ATOM 385 CA SER A 26 116.291 -14.366 -5.897 1.00 0.00 C ATOM 386 C SER A 26 117.342 -15.423 -6.163 1.00 0.00 C ATOM 387 O SER A 26 117.660 -16.187 -5.279 1.00 0.00 O ATOM 388 CB SER A 26 115.321 -14.298 -7.071 1.00 0.00 C ATOM 389 OG SER A 26 114.702 -15.566 -7.245 1.00 0.00 O ATOM 0 H SER A 26 117.013 -12.470 -6.552 1.00 0.00 H new ATOM 0 HA SER A 26 115.736 -14.621 -4.994 1.00 0.00 H new ATOM 0 HB2 SER A 26 114.565 -13.534 -6.889 1.00 0.00 H new ATOM 0 HB3 SER A 26 115.851 -14.012 -7.979 1.00 0.00 H new ATOM 0 HG SER A 26 114.077 -15.524 -7.998 1.00 0.00 H new ATOM 395 N ASN A 27 117.875 -15.471 -7.375 1.00 0.00 N ATOM 396 CA ASN A 27 118.914 -16.499 -7.730 1.00 0.00 C ATOM 397 C ASN A 27 119.183 -17.392 -6.516 1.00 0.00 C ATOM 398 O ASN A 27 119.938 -17.044 -5.631 1.00 0.00 O ATOM 399 CB ASN A 27 120.204 -15.782 -8.124 1.00 0.00 C ATOM 400 CG ASN A 27 121.158 -16.779 -8.779 1.00 0.00 C ATOM 401 OD1 ASN A 27 120.729 -17.775 -9.326 1.00 0.00 O ATOM 402 ND2 ASN A 27 122.442 -16.555 -8.745 1.00 0.00 N ATOM 0 H ASN A 27 117.629 -14.836 -8.134 1.00 0.00 H new ATOM 0 HA ASN A 27 118.560 -17.111 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 27 119.984 -14.966 -8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 27 120.671 -15.339 -7.244 1.00 0.00 H new ATOM 0 HD21 ASN A 27 123.087 -17.216 -9.178 1.00 0.00 H new ATOM 0 HD22 ASN A 27 122.802 -15.718 -8.286 1.00 0.00 H new ATOM 409 N LYS A 28 118.545 -18.526 -6.461 1.00 0.00 N ATOM 410 CA LYS A 28 118.733 -19.432 -5.292 1.00 0.00 C ATOM 411 C LYS A 28 120.167 -19.956 -5.271 1.00 0.00 C ATOM 412 O LYS A 28 120.419 -21.075 -4.875 1.00 0.00 O ATOM 413 CB LYS A 28 117.754 -20.603 -5.399 1.00 0.00 C ATOM 414 CG LYS A 28 116.314 -20.078 -5.456 1.00 0.00 C ATOM 415 CD LYS A 28 115.949 -19.415 -4.126 1.00 0.00 C ATOM 416 CE LYS A 28 114.428 -19.322 -4.000 1.00 0.00 C ATOM 417 NZ LYS A 28 113.904 -18.356 -5.007 1.00 0.00 N ATOM 0 H LYS A 28 117.901 -18.866 -7.175 1.00 0.00 H new ATOM 0 HA LYS A 28 118.543 -18.882 -4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 28 117.972 -21.190 -6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 28 117.874 -21.268 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 28 116.211 -19.361 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 28 115.627 -20.898 -5.664 1.00 0.00 H new ATOM 0 HD2 LYS A 28 116.358 -19.991 -3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 28 116.390 -18.420 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 28 113.979 -20.303 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 28 114.155 -19.000 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 112.882 -18.228 -4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 114.386 -17.441 -4.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 114.078 -18.723 -5.964 1.00 0.00 H new ATOM 431 N SER A 29 121.107 -19.153 -5.691 1.00 0.00 N ATOM 432 CA SER A 29 122.523 -19.602 -5.696 1.00 0.00 C ATOM 433 C SER A 29 122.969 -19.880 -4.262 1.00 0.00 C ATOM 434 O SER A 29 123.752 -19.141 -3.699 1.00 0.00 O ATOM 435 CB SER A 29 123.403 -18.504 -6.294 1.00 0.00 C ATOM 436 OG SER A 29 124.755 -18.945 -6.315 1.00 0.00 O ATOM 0 H SER A 29 120.952 -18.204 -6.031 1.00 0.00 H new ATOM 0 HA SER A 29 122.616 -20.510 -6.293 1.00 0.00 H new ATOM 0 HB2 SER A 29 123.071 -18.265 -7.304 1.00 0.00 H new ATOM 0 HB3 SER A 29 123.315 -17.591 -5.705 1.00 0.00 H new ATOM 0 HG SER A 29 125.322 -18.244 -6.699 1.00 0.00 H new ATOM 442 N SER A 30 122.466 -20.933 -3.671 1.00 0.00 N ATOM 443 CA SER A 30 122.854 -21.266 -2.267 1.00 0.00 C ATOM 444 C SER A 30 124.334 -20.935 -2.050 1.00 0.00 C ATOM 445 O SER A 30 124.764 -20.659 -0.948 1.00 0.00 O ATOM 446 CB SER A 30 122.626 -22.756 -2.018 1.00 0.00 C ATOM 447 OG SER A 30 121.305 -23.102 -2.412 1.00 0.00 O ATOM 0 H SER A 30 121.802 -21.578 -4.100 1.00 0.00 H new ATOM 0 HA SER A 30 122.247 -20.682 -1.575 1.00 0.00 H new ATOM 0 HB2 SER A 30 123.351 -23.345 -2.579 1.00 0.00 H new ATOM 0 HB3 SER A 30 122.775 -22.987 -0.963 1.00 0.00 H new ATOM 0 HG SER A 30 121.157 -24.058 -2.255 1.00 0.00 H new ATOM 453 N ASN A 31 125.114 -20.950 -3.098 1.00 0.00 N ATOM 454 CA ASN A 31 126.563 -20.627 -2.955 1.00 0.00 C ATOM 455 C ASN A 31 126.726 -19.144 -2.606 1.00 0.00 C ATOM 456 O ASN A 31 127.674 -18.503 -3.013 1.00 0.00 O ATOM 457 CB ASN A 31 127.283 -20.914 -4.276 1.00 0.00 C ATOM 458 CG ASN A 31 127.359 -22.426 -4.497 1.00 0.00 C ATOM 459 OD1 ASN A 31 127.201 -23.195 -3.569 1.00 0.00 O ATOM 460 ND2 ASN A 31 127.595 -22.886 -5.694 1.00 0.00 N ATOM 0 H ASN A 31 124.810 -21.172 -4.046 1.00 0.00 H new ATOM 0 HA ASN A 31 126.992 -21.239 -2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 31 126.752 -20.441 -5.102 1.00 0.00 H new ATOM 0 HB3 ASN A 31 128.286 -20.488 -4.256 1.00 0.00 H new ATOM 0 HD21 ASN A 31 127.647 -23.892 -5.853 1.00 0.00 H new ATOM 0 HD22 ASN A 31 127.727 -22.240 -6.472 1.00 0.00 H new ATOM 467 N ASN A 32 125.809 -18.591 -1.861 1.00 0.00 N ATOM 468 CA ASN A 32 125.906 -17.149 -1.498 1.00 0.00 C ATOM 469 C ASN A 32 125.131 -16.901 -0.207 1.00 0.00 C ATOM 470 O ASN A 32 123.946 -17.154 -0.138 1.00 0.00 O ATOM 471 CB ASN A 32 125.313 -16.291 -2.616 1.00 0.00 C ATOM 472 CG ASN A 32 125.367 -14.816 -2.209 1.00 0.00 C ATOM 473 OD1 ASN A 32 125.637 -14.499 -1.066 1.00 0.00 O ATOM 474 ND2 ASN A 32 125.118 -13.896 -3.099 1.00 0.00 N ATOM 0 H ASN A 32 124.994 -19.077 -1.487 1.00 0.00 H new ATOM 0 HA ASN A 32 126.954 -16.883 -1.358 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.869 -16.445 -3.541 1.00 0.00 H new ATOM 0 HB3 ASN A 32 124.282 -16.589 -2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 32 125.150 -12.911 -2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 32 124.892 -14.162 -4.057 1.00 0.00 H new ATOM 481 N GLN A 33 125.793 -16.426 0.819 1.00 0.00 N ATOM 482 CA GLN A 33 125.094 -16.170 2.114 1.00 0.00 C ATOM 483 C GLN A 33 123.666 -15.687 1.843 1.00 0.00 C ATOM 484 O GLN A 33 123.446 -14.700 1.170 1.00 0.00 O ATOM 485 CB GLN A 33 125.855 -15.100 2.902 1.00 0.00 C ATOM 486 CG GLN A 33 126.163 -13.909 1.991 1.00 0.00 C ATOM 487 CD GLN A 33 127.052 -12.914 2.735 1.00 0.00 C ATOM 488 OE1 GLN A 33 128.036 -13.294 3.338 1.00 0.00 O ATOM 489 NE2 GLN A 33 126.745 -11.645 2.722 1.00 0.00 N ATOM 0 H GLN A 33 126.789 -16.205 0.814 1.00 0.00 H new ATOM 0 HA GLN A 33 125.058 -17.093 2.693 1.00 0.00 H new ATOM 0 HB2 GLN A 33 125.262 -14.773 3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 33 126.781 -15.516 3.298 1.00 0.00 H new ATOM 0 HG2 GLN A 33 126.662 -14.251 1.084 1.00 0.00 H new ATOM 0 HG3 GLN A 33 125.237 -13.425 1.682 1.00 0.00 H new ATOM 0 HE21 GLN A 33 125.919 -11.325 2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 33 127.331 -10.973 3.218 1.00 0.00 H new ATOM 498 N GLN A 34 122.692 -16.390 2.350 1.00 0.00 N ATOM 499 CA GLN A 34 121.279 -15.983 2.109 1.00 0.00 C ATOM 500 C GLN A 34 120.966 -14.728 2.923 1.00 0.00 C ATOM 501 O GLN A 34 119.890 -14.588 3.465 1.00 0.00 O ATOM 502 CB GLN A 34 120.340 -17.112 2.533 1.00 0.00 C ATOM 503 CG GLN A 34 120.743 -17.629 3.914 1.00 0.00 C ATOM 504 CD GLN A 34 119.757 -18.710 4.361 1.00 0.00 C ATOM 505 OE1 GLN A 34 119.249 -19.457 3.550 1.00 0.00 O ATOM 506 NE2 GLN A 34 119.466 -18.827 5.627 1.00 0.00 N ATOM 0 H GLN A 34 122.813 -17.227 2.920 1.00 0.00 H new ATOM 0 HA GLN A 34 121.138 -15.775 1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 34 119.311 -16.753 2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 34 120.379 -17.923 1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 34 121.754 -18.035 3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 34 120.751 -16.810 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 34 119.893 -18.199 6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 34 118.812 -19.546 5.936 1.00 0.00 H new ATOM 515 N ASP A 35 121.901 -13.820 3.008 1.00 0.00 N ATOM 516 CA ASP A 35 121.667 -12.570 3.785 1.00 0.00 C ATOM 517 C ASP A 35 122.062 -11.357 2.941 1.00 0.00 C ATOM 518 O ASP A 35 123.229 -11.101 2.718 1.00 0.00 O ATOM 519 CB ASP A 35 122.520 -12.597 5.056 1.00 0.00 C ATOM 520 CG ASP A 35 121.970 -13.647 6.022 1.00 0.00 C ATOM 521 OD1 ASP A 35 120.907 -14.178 5.748 1.00 0.00 O ATOM 522 OD2 ASP A 35 122.620 -13.901 7.022 1.00 0.00 O ATOM 0 H ASP A 35 122.820 -13.891 2.571 1.00 0.00 H new ATOM 0 HA ASP A 35 120.612 -12.501 4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 35 123.556 -12.826 4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 35 122.516 -11.615 5.530 1.00 0.00 H new ATOM 527 N ILE A 36 121.106 -10.600 2.479 1.00 0.00 N ATOM 528 CA ILE A 36 121.442 -9.398 1.663 1.00 0.00 C ATOM 529 C ILE A 36 121.377 -8.167 2.561 1.00 0.00 C ATOM 530 O ILE A 36 120.382 -7.921 3.208 1.00 0.00 O ATOM 531 CB ILE A 36 120.437 -9.247 0.521 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.398 -10.541 -0.299 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.857 -8.082 -0.378 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.812 -10.899 -0.769 1.00 0.00 C ATOM 0 H ILE A 36 120.110 -10.760 2.630 1.00 0.00 H new ATOM 0 HA ILE A 36 122.442 -9.506 1.243 1.00 0.00 H new ATOM 0 HB ILE A 36 119.447 -9.048 0.931 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.989 -11.352 0.303 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.739 -10.418 -1.159 1.00 0.00 H new ATOM 0 HG21 ILE A 36 120.141 -7.974 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 36 120.883 -7.162 0.207 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.847 -8.279 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.780 -11.820 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.205 -10.092 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.458 -11.040 0.097 1.00 0.00 H new ATOM 546 N VAL A 37 122.436 -7.400 2.620 1.00 0.00 N ATOM 547 CA VAL A 37 122.437 -6.191 3.496 1.00 0.00 C ATOM 548 C VAL A 37 122.685 -4.934 2.668 1.00 0.00 C ATOM 549 O VAL A 37 123.624 -4.857 1.900 1.00 0.00 O ATOM 550 CB VAL A 37 123.542 -6.326 4.545 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.742 -4.980 5.248 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.144 -7.388 5.577 1.00 0.00 C ATOM 0 H VAL A 37 123.299 -7.559 2.100 1.00 0.00 H new ATOM 0 HA VAL A 37 121.465 -6.110 3.983 1.00 0.00 H new ATOM 0 HB VAL A 37 124.470 -6.625 4.058 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.529 -5.074 5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.026 -4.225 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.813 -4.682 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 37 123.932 -7.483 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.216 -7.091 6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.001 -8.346 5.077 1.00 0.00 H new ATOM 562 N CYS A 38 121.865 -3.934 2.840 1.00 0.00 N ATOM 563 CA CYS A 38 122.081 -2.671 2.087 1.00 0.00 C ATOM 564 C CYS A 38 122.746 -1.663 3.023 1.00 0.00 C ATOM 565 O CYS A 38 122.093 -1.048 3.845 1.00 0.00 O ATOM 566 CB CYS A 38 120.736 -2.108 1.626 1.00 0.00 C ATOM 567 SG CYS A 38 120.012 -3.191 0.367 1.00 0.00 S ATOM 0 H CYS A 38 121.060 -3.938 3.466 1.00 0.00 H new ATOM 0 HA CYS A 38 122.709 -2.861 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.059 -2.020 2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.871 -1.105 1.221 1.00 0.00 H new ATOM 572 N THR A 39 124.034 -1.485 2.913 1.00 0.00 N ATOM 573 CA THR A 39 124.727 -0.520 3.808 1.00 0.00 C ATOM 574 C THR A 39 124.871 0.821 3.097 1.00 0.00 C ATOM 575 O THR A 39 125.486 0.923 2.053 1.00 0.00 O ATOM 576 CB THR A 39 126.115 -1.065 4.164 1.00 0.00 C ATOM 577 OG1 THR A 39 125.974 -2.267 4.909 1.00 0.00 O ATOM 578 CG2 THR A 39 126.872 -0.031 4.999 1.00 0.00 C ATOM 0 H THR A 39 124.634 -1.966 2.243 1.00 0.00 H new ATOM 0 HA THR A 39 124.145 -0.384 4.719 1.00 0.00 H new ATOM 0 HB THR A 39 126.672 -1.268 3.249 1.00 0.00 H new ATOM 0 HG1 THR A 39 126.861 -2.617 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.859 -0.419 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 39 126.980 0.890 4.427 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.317 0.174 5.915 1.00 0.00 H new ATOM 586 N VAL A 40 124.319 1.857 3.667 1.00 0.00 N ATOM 587 CA VAL A 40 124.434 3.205 3.037 1.00 0.00 C ATOM 588 C VAL A 40 124.624 4.259 4.129 1.00 0.00 C ATOM 589 O VAL A 40 124.198 4.086 5.253 1.00 0.00 O ATOM 590 CB VAL A 40 123.159 3.507 2.243 1.00 0.00 C ATOM 591 CG1 VAL A 40 123.056 2.551 1.053 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.940 3.323 3.149 1.00 0.00 C ATOM 0 H VAL A 40 123.794 1.830 4.541 1.00 0.00 H new ATOM 0 HA VAL A 40 125.290 3.224 2.363 1.00 0.00 H new ATOM 0 HB VAL A 40 123.194 4.534 1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.148 2.768 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.924 2.680 0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 40 123.022 1.523 1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.032 3.538 2.585 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.908 2.296 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.010 4.005 3.997 1.00 0.00 H new ATOM 602 N LYS A 41 125.250 5.359 3.809 1.00 0.00 N ATOM 603 CA LYS A 41 125.452 6.420 4.836 1.00 0.00 C ATOM 604 C LYS A 41 124.315 7.438 4.736 1.00 0.00 C ATOM 605 O LYS A 41 123.964 7.892 3.665 1.00 0.00 O ATOM 606 CB LYS A 41 126.793 7.113 4.597 1.00 0.00 C ATOM 607 CG LYS A 41 126.734 7.906 3.291 1.00 0.00 C ATOM 608 CD LYS A 41 128.132 8.414 2.937 1.00 0.00 C ATOM 609 CE LYS A 41 128.565 9.475 3.950 1.00 0.00 C ATOM 610 NZ LYS A 41 129.737 10.222 3.416 1.00 0.00 N ATOM 0 H LYS A 41 125.629 5.568 2.885 1.00 0.00 H new ATOM 0 HA LYS A 41 125.454 5.975 5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 41 127.023 7.779 5.429 1.00 0.00 H new ATOM 0 HB3 LYS A 41 127.593 6.374 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 41 126.351 7.276 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 41 126.046 8.745 3.394 1.00 0.00 H new ATOM 0 HD2 LYS A 41 128.841 7.586 2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 41 128.133 8.835 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 41 127.742 10.162 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 41 128.822 9.004 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 130.032 10.944 4.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 130.523 9.562 3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 129.476 10.683 2.521 1.00 0.00 H new ATOM 624 N ALA A 42 123.731 7.794 5.844 1.00 0.00 N ATOM 625 CA ALA A 42 122.609 8.778 5.813 1.00 0.00 C ATOM 626 C ALA A 42 123.119 10.152 6.247 1.00 0.00 C ATOM 627 O ALA A 42 124.003 10.262 7.072 1.00 0.00 O ATOM 628 CB ALA A 42 121.509 8.319 6.768 1.00 0.00 C ATOM 0 H ALA A 42 123.980 7.448 6.771 1.00 0.00 H new ATOM 0 HA ALA A 42 122.211 8.844 4.800 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.688 9.035 6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.144 7.340 6.459 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.909 8.254 7.780 1.00 0.00 H new ATOM 634 N HIS A 43 122.568 11.202 5.693 1.00 0.00 N ATOM 635 CA HIS A 43 123.022 12.576 6.067 1.00 0.00 C ATOM 636 C HIS A 43 121.868 13.333 6.730 1.00 0.00 C ATOM 637 O HIS A 43 120.709 13.087 6.455 1.00 0.00 O ATOM 638 CB HIS A 43 123.473 13.324 4.810 1.00 0.00 C ATOM 639 CG HIS A 43 124.384 14.453 5.201 1.00 0.00 C ATOM 640 ND1 HIS A 43 123.919 15.748 5.386 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.734 14.501 5.444 1.00 0.00 C ATOM 642 CE1 HIS A 43 124.973 16.513 5.724 1.00 0.00 C ATOM 643 NE2 HIS A 43 126.100 15.800 5.773 1.00 0.00 N ATOM 0 H HIS A 43 121.823 11.167 4.997 1.00 0.00 H new ATOM 0 HA HIS A 43 123.856 12.506 6.765 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.990 12.643 4.134 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.607 13.710 4.273 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.408 13.659 5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 43 124.914 17.572 5.930 1.00 0.00 H new ATOM 0 HE2 HIS A 43 127.034 16.138 6.004 1.00 0.00 H new ATOM 652 N ALA A 44 122.179 14.244 7.608 1.00 0.00 N ATOM 653 CA ALA A 44 121.108 15.014 8.304 1.00 0.00 C ATOM 654 C ALA A 44 120.204 15.696 7.274 1.00 0.00 C ATOM 655 O ALA A 44 119.055 15.986 7.540 1.00 0.00 O ATOM 656 CB ALA A 44 121.754 16.075 9.202 1.00 0.00 C ATOM 0 H ALA A 44 123.132 14.490 7.876 1.00 0.00 H new ATOM 0 HA ALA A 44 120.508 14.335 8.909 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.976 16.641 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.392 15.588 9.939 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.354 16.751 8.593 1.00 0.00 H new ATOM 662 N ASN A 45 120.713 15.960 6.104 1.00 0.00 N ATOM 663 CA ASN A 45 119.880 16.627 5.062 1.00 0.00 C ATOM 664 C ASN A 45 119.323 15.577 4.097 1.00 0.00 C ATOM 665 O ASN A 45 118.330 15.793 3.431 1.00 0.00 O ATOM 666 CB ASN A 45 120.744 17.622 4.285 1.00 0.00 C ATOM 667 CG ASN A 45 121.928 16.888 3.652 1.00 0.00 C ATOM 668 OD1 ASN A 45 121.799 15.757 3.225 1.00 0.00 O ATOM 669 ND2 ASN A 45 123.086 17.485 3.575 1.00 0.00 N ATOM 0 H ASN A 45 121.669 15.743 5.823 1.00 0.00 H new ATOM 0 HA ASN A 45 119.053 17.152 5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.150 18.109 3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.103 18.406 4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 45 123.882 17.003 3.157 1.00 0.00 H new ATOM 0 HD22 ASN A 45 123.195 18.434 3.933 1.00 0.00 H new ATOM 676 N ASP A 46 119.967 14.447 4.011 1.00 0.00 N ATOM 677 CA ASP A 46 119.486 13.386 3.079 1.00 0.00 C ATOM 678 C ASP A 46 118.264 12.679 3.670 1.00 0.00 C ATOM 679 O ASP A 46 118.234 12.350 4.839 1.00 0.00 O ATOM 680 CB ASP A 46 120.600 12.360 2.867 1.00 0.00 C ATOM 681 CG ASP A 46 121.628 12.914 1.878 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.373 13.966 1.315 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.655 12.279 1.704 1.00 0.00 O ATOM 0 H ASP A 46 120.804 14.211 4.544 1.00 0.00 H new ATOM 0 HA ASP A 46 119.211 13.845 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 46 121.082 12.130 3.817 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.182 11.427 2.488 1.00 0.00 H new ATOM 688 N LEU A 47 117.261 12.429 2.869 1.00 0.00 N ATOM 689 CA LEU A 47 116.053 11.728 3.390 1.00 0.00 C ATOM 690 C LEU A 47 116.382 10.244 3.531 1.00 0.00 C ATOM 691 O LEU A 47 117.144 9.702 2.754 1.00 0.00 O ATOM 692 CB LEU A 47 114.891 11.898 2.406 1.00 0.00 C ATOM 693 CG LEU A 47 114.517 13.377 2.297 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.474 13.554 1.191 1.00 0.00 C ATOM 695 CD2 LEU A 47 113.935 13.860 3.627 1.00 0.00 C ATOM 0 H LEU A 47 117.227 12.679 1.881 1.00 0.00 H new ATOM 0 HA LEU A 47 115.766 12.147 4.354 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.172 11.511 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.030 11.320 2.742 1.00 0.00 H new ATOM 0 HG LEU A 47 115.407 13.960 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 47 113.205 14.607 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 47 113.888 13.211 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.586 12.970 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 47 113.669 14.914 3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 47 113.045 13.279 3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 47 114.676 13.732 4.416 1.00 0.00 H new ATOM 707 N ILE A 48 115.824 9.575 4.510 1.00 0.00 N ATOM 708 CA ILE A 48 116.126 8.122 4.688 1.00 0.00 C ATOM 709 C ILE A 48 114.842 7.297 4.589 1.00 0.00 C ATOM 710 O ILE A 48 113.789 7.695 5.051 1.00 0.00 O ATOM 711 CB ILE A 48 116.755 7.910 6.068 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.789 8.390 7.158 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.059 8.699 6.165 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.379 8.088 8.536 1.00 0.00 C ATOM 0 H ILE A 48 115.175 9.971 5.190 1.00 0.00 H new ATOM 0 HA ILE A 48 116.814 7.801 3.906 1.00 0.00 H new ATOM 0 HB ILE A 48 116.960 6.849 6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.611 9.460 7.054 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.825 7.894 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.504 8.546 7.148 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.751 8.355 5.396 1.00 0.00 H new ATOM 0 HG23 ILE A 48 117.854 9.760 6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.691 8.430 9.309 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.535 7.014 8.638 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.333 8.605 8.645 1.00 0.00 H new ATOM 726 N GLY A 49 114.930 6.147 3.980 1.00 0.00 N ATOM 727 CA GLY A 49 113.719 5.284 3.843 1.00 0.00 C ATOM 728 C GLY A 49 114.080 4.025 3.050 1.00 0.00 C ATOM 729 O GLY A 49 115.228 3.796 2.733 1.00 0.00 O ATOM 0 H GLY A 49 115.784 5.767 3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.340 5.011 4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.924 5.831 3.336 1.00 0.00 H new ATOM 733 N PHE A 50 113.114 3.209 2.723 1.00 0.00 N ATOM 734 CA PHE A 50 113.421 1.975 1.943 1.00 0.00 C ATOM 735 C PHE A 50 112.117 1.321 1.478 1.00 0.00 C ATOM 736 O PHE A 50 111.039 1.690 1.900 1.00 0.00 O ATOM 737 CB PHE A 50 114.211 0.993 2.808 1.00 0.00 C ATOM 738 CG PHE A 50 113.331 0.468 3.915 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.264 1.146 5.138 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.585 -0.699 3.719 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.451 0.653 6.165 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.774 -1.192 4.747 1.00 0.00 C ATOM 743 CZ PHE A 50 111.706 -0.517 5.970 1.00 0.00 C ATOM 0 H PHE A 50 112.131 3.342 2.961 1.00 0.00 H new ATOM 0 HA PHE A 50 114.020 2.244 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.575 0.167 2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.086 1.487 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.839 2.048 5.289 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.635 -1.220 2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.398 1.175 7.109 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.200 -2.094 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 50 111.080 -0.898 6.763 1.00 0.00 H new ATOM 753 N LYS A 51 112.208 0.349 0.608 1.00 0.00 N ATOM 754 CA LYS A 51 110.972 -0.328 0.114 1.00 0.00 C ATOM 755 C LYS A 51 111.246 -1.813 -0.117 1.00 0.00 C ATOM 756 O LYS A 51 112.314 -2.196 -0.554 1.00 0.00 O ATOM 757 CB LYS A 51 110.530 0.319 -1.200 1.00 0.00 C ATOM 758 CG LYS A 51 109.304 -0.410 -1.753 1.00 0.00 C ATOM 759 CD LYS A 51 108.832 0.285 -3.032 1.00 0.00 C ATOM 760 CE LYS A 51 107.593 -0.429 -3.575 1.00 0.00 C ATOM 761 NZ LYS A 51 107.967 -1.800 -4.022 1.00 0.00 N ATOM 0 H LYS A 51 113.082 -0.005 0.219 1.00 0.00 H new ATOM 0 HA LYS A 51 110.184 -0.223 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.295 1.371 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.343 0.283 -1.925 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.550 -1.451 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.505 -0.414 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.601 1.330 -2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.627 0.275 -3.778 1.00 0.00 H new ATOM 0 HE2 LYS A 51 106.824 -0.483 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 51 107.171 0.134 -4.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 107.727 -1.915 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 108.989 -1.941 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 107.447 -2.503 -3.459 1.00 0.00 H new ATOM 775 N CYS A 52 110.282 -2.652 0.164 1.00 0.00 N ATOM 776 CA CYS A 52 110.454 -4.116 -0.047 1.00 0.00 C ATOM 777 C CYS A 52 109.325 -4.604 -0.968 1.00 0.00 C ATOM 778 O CYS A 52 108.254 -4.032 -0.984 1.00 0.00 O ATOM 779 CB CYS A 52 110.360 -4.832 1.307 1.00 0.00 C ATOM 780 SG CYS A 52 111.796 -4.405 2.326 1.00 0.00 S ATOM 0 H CYS A 52 109.372 -2.378 0.535 1.00 0.00 H new ATOM 0 HA CYS A 52 111.423 -4.328 -0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.441 -4.544 1.818 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.317 -5.911 1.156 1.00 0.00 H new ATOM 785 N PRO A 53 109.549 -5.648 -1.726 1.00 0.00 N ATOM 786 CA PRO A 53 108.517 -6.197 -2.654 1.00 0.00 C ATOM 787 C PRO A 53 107.182 -6.452 -1.942 1.00 0.00 C ATOM 788 O PRO A 53 107.138 -6.773 -0.771 1.00 0.00 O ATOM 789 CB PRO A 53 109.129 -7.514 -3.169 1.00 0.00 C ATOM 790 CG PRO A 53 110.334 -7.768 -2.319 1.00 0.00 C ATOM 791 CD PRO A 53 110.795 -6.415 -1.801 1.00 0.00 C ATOM 0 HA PRO A 53 108.283 -5.499 -3.458 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.415 -8.334 -3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.403 -7.432 -4.221 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.091 -8.437 -1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.122 -8.250 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.276 -6.499 -0.827 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.515 -5.950 -2.474 1.00 0.00 H new ATOM 799 N SER A 54 106.095 -6.294 -2.645 1.00 0.00 N ATOM 800 CA SER A 54 104.756 -6.503 -2.021 1.00 0.00 C ATOM 801 C SER A 54 104.522 -7.991 -1.735 1.00 0.00 C ATOM 802 O SER A 54 103.590 -8.354 -1.046 1.00 0.00 O ATOM 803 CB SER A 54 103.672 -5.997 -2.973 1.00 0.00 C ATOM 804 OG SER A 54 103.580 -4.582 -2.870 1.00 0.00 O ATOM 0 H SER A 54 106.075 -6.028 -3.629 1.00 0.00 H new ATOM 0 HA SER A 54 104.717 -5.953 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.909 -6.284 -3.998 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.714 -6.454 -2.727 1.00 0.00 H new ATOM 0 HG SER A 54 102.887 -4.254 -3.480 1.00 0.00 H new ATOM 810 N ASN A 55 105.344 -8.854 -2.263 1.00 0.00 N ATOM 811 CA ASN A 55 105.142 -10.312 -2.019 1.00 0.00 C ATOM 812 C ASN A 55 105.937 -10.754 -0.788 1.00 0.00 C ATOM 813 O ASN A 55 105.922 -11.907 -0.415 1.00 0.00 O ATOM 814 CB ASN A 55 105.626 -11.100 -3.236 1.00 0.00 C ATOM 815 CG ASN A 55 104.792 -10.718 -4.458 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.578 -10.769 -4.421 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.396 -10.332 -5.548 1.00 0.00 N ATOM 0 H ASN A 55 106.143 -8.616 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 55 104.082 -10.501 -1.849 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.679 -10.891 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.542 -12.170 -3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 55 104.850 -10.073 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.415 -10.289 -5.579 1.00 0.00 H new ATOM 824 N TYR A 56 106.631 -9.849 -0.154 1.00 0.00 N ATOM 825 CA TYR A 56 107.433 -10.215 1.056 1.00 0.00 C ATOM 826 C TYR A 56 106.801 -9.617 2.314 1.00 0.00 C ATOM 827 O TYR A 56 105.956 -8.748 2.242 1.00 0.00 O ATOM 828 CB TYR A 56 108.859 -9.699 0.891 1.00 0.00 C ATOM 829 CG TYR A 56 109.640 -10.659 0.020 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.332 -10.787 -1.339 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.682 -11.410 0.573 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.063 -11.667 -2.144 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.414 -12.292 -0.230 1.00 0.00 C ATOM 834 CZ TYR A 56 111.105 -12.420 -1.589 1.00 0.00 C ATOM 835 OH TYR A 56 111.828 -13.288 -2.383 1.00 0.00 O ATOM 0 H TYR A 56 106.679 -8.866 -0.421 1.00 0.00 H new ATOM 0 HA TYR A 56 107.449 -11.300 1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.849 -8.707 0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.338 -9.602 1.865 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.529 -10.206 -1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.922 -11.309 1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 56 109.824 -11.766 -3.193 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.217 -12.873 0.199 1.00 0.00 H new ATOM 0 HH TYR A 56 112.514 -13.731 -1.842 1.00 0.00 H new ATOM 845 N SER A 57 107.211 -10.076 3.473 1.00 0.00 N ATOM 846 CA SER A 57 106.638 -9.528 4.737 1.00 0.00 C ATOM 847 C SER A 57 107.652 -8.575 5.373 1.00 0.00 C ATOM 848 O SER A 57 108.814 -8.901 5.520 1.00 0.00 O ATOM 849 CB SER A 57 106.345 -10.678 5.701 1.00 0.00 C ATOM 850 OG SER A 57 105.945 -10.148 6.958 1.00 0.00 O ATOM 0 H SER A 57 107.915 -10.804 3.595 1.00 0.00 H new ATOM 0 HA SER A 57 105.714 -8.991 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 57 105.559 -11.316 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.231 -11.301 5.822 1.00 0.00 H new ATOM 0 HG SER A 57 105.755 -10.883 7.577 1.00 0.00 H new ATOM 856 N VAL A 58 107.231 -7.396 5.748 1.00 0.00 N ATOM 857 CA VAL A 58 108.188 -6.433 6.363 1.00 0.00 C ATOM 858 C VAL A 58 108.226 -6.626 7.882 1.00 0.00 C ATOM 859 O VAL A 58 107.241 -6.451 8.573 1.00 0.00 O ATOM 860 CB VAL A 58 107.762 -4.999 6.032 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.362 -4.913 4.558 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.570 -4.595 6.905 1.00 0.00 C ATOM 0 H VAL A 58 106.272 -7.061 5.656 1.00 0.00 H new ATOM 0 HA VAL A 58 109.184 -6.615 5.959 1.00 0.00 H new ATOM 0 HB VAL A 58 108.596 -4.325 6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 58 107.059 -3.893 4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 58 108.211 -5.193 3.934 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.531 -5.592 4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.272 -3.574 6.665 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.735 -5.270 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.853 -4.652 7.956 1.00 0.00 H new ATOM 872 N GLU A 59 109.372 -6.970 8.400 1.00 0.00 N ATOM 873 CA GLU A 59 109.518 -7.163 9.871 1.00 0.00 C ATOM 874 C GLU A 59 110.657 -6.260 10.357 1.00 0.00 C ATOM 875 O GLU A 59 111.748 -6.307 9.824 1.00 0.00 O ATOM 876 CB GLU A 59 109.878 -8.622 10.170 1.00 0.00 C ATOM 877 CG GLU A 59 108.614 -9.485 10.149 1.00 0.00 C ATOM 878 CD GLU A 59 108.986 -10.925 9.784 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.752 -11.099 8.851 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.500 -11.827 10.447 1.00 0.00 O ATOM 0 H GLU A 59 110.224 -7.128 7.861 1.00 0.00 H new ATOM 0 HA GLU A 59 108.584 -6.915 10.375 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.591 -8.988 9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.362 -8.694 11.144 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.127 -9.460 11.124 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.901 -9.088 9.426 1.00 0.00 H new ATOM 887 N PRO A 60 110.428 -5.435 11.348 1.00 0.00 N ATOM 888 CA PRO A 60 111.481 -4.522 11.866 1.00 0.00 C ATOM 889 C PRO A 60 112.475 -5.248 12.772 1.00 0.00 C ATOM 890 O PRO A 60 112.131 -5.700 13.842 1.00 0.00 O ATOM 891 CB PRO A 60 110.688 -3.493 12.671 1.00 0.00 C ATOM 892 CG PRO A 60 109.481 -4.226 13.147 1.00 0.00 C ATOM 893 CD PRO A 60 109.160 -5.271 12.081 1.00 0.00 C ATOM 0 HA PRO A 60 112.080 -4.090 11.065 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.273 -3.110 13.507 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.413 -2.637 12.055 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.670 -4.700 14.110 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.643 -3.544 13.286 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.833 -6.210 12.528 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.359 -4.936 11.422 1.00 0.00 H new ATOM 901 N HIS A 61 113.708 -5.343 12.361 1.00 0.00 N ATOM 902 CA HIS A 61 114.726 -6.017 13.212 1.00 0.00 C ATOM 903 C HIS A 61 115.423 -4.950 14.055 1.00 0.00 C ATOM 904 O HIS A 61 115.952 -5.220 15.114 1.00 0.00 O ATOM 905 CB HIS A 61 115.745 -6.739 12.333 1.00 0.00 C ATOM 906 CG HIS A 61 116.449 -7.791 13.146 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.107 -7.494 14.332 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.608 -9.143 12.958 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.626 -8.640 14.807 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.350 -9.673 14.008 1.00 0.00 N ATOM 0 H HIS A 61 114.055 -4.983 11.472 1.00 0.00 H new ATOM 0 HA HIS A 61 114.249 -6.753 13.859 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.246 -7.197 11.479 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.468 -6.027 11.935 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.183 -6.573 14.765 1.00 0.00 H new ATOM 0 HD2 HIS A 61 116.217 -9.707 12.124 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.196 -8.715 15.722 1.00 0.00 H new ATOM 919 N ASP A 62 115.405 -3.733 13.586 1.00 0.00 N ATOM 920 CA ASP A 62 116.041 -2.616 14.335 1.00 0.00 C ATOM 921 C ASP A 62 115.643 -1.302 13.663 1.00 0.00 C ATOM 922 O ASP A 62 116.442 -0.402 13.506 1.00 0.00 O ATOM 923 CB ASP A 62 117.564 -2.774 14.310 1.00 0.00 C ATOM 924 CG ASP A 62 118.204 -1.673 15.158 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.478 -0.804 15.612 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.410 -1.718 15.339 1.00 0.00 O ATOM 0 H ASP A 62 114.970 -3.463 12.704 1.00 0.00 H new ATOM 0 HA ASP A 62 115.709 -2.622 15.373 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.845 -3.754 14.695 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.930 -2.717 13.285 1.00 0.00 H new ATOM 931 N CYS A 63 114.403 -1.194 13.253 1.00 0.00 N ATOM 932 CA CYS A 63 113.935 0.049 12.575 1.00 0.00 C ATOM 933 C CYS A 63 114.006 1.230 13.546 1.00 0.00 C ATOM 934 O CYS A 63 114.803 1.234 14.461 1.00 0.00 O ATOM 935 CB CYS A 63 112.497 -0.149 12.085 1.00 0.00 C ATOM 936 SG CYS A 63 112.478 -1.396 10.773 1.00 0.00 S ATOM 0 H CYS A 63 113.693 -1.919 13.361 1.00 0.00 H new ATOM 0 HA CYS A 63 114.578 0.261 11.720 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.859 -0.464 12.911 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.094 0.793 11.713 1.00 0.00 H new ATOM 941 N PHE A 64 113.196 2.246 13.345 1.00 0.00 N ATOM 942 CA PHE A 64 113.249 3.432 14.256 1.00 0.00 C ATOM 943 C PHE A 64 112.003 3.509 15.153 1.00 0.00 C ATOM 944 O PHE A 64 112.109 3.505 16.364 1.00 0.00 O ATOM 945 CB PHE A 64 113.370 4.709 13.420 1.00 0.00 C ATOM 946 CG PHE A 64 112.425 4.654 12.246 1.00 0.00 C ATOM 947 CD1 PHE A 64 112.736 3.859 11.136 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.245 5.404 12.263 1.00 0.00 C ATOM 949 CE1 PHE A 64 111.863 3.813 10.044 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.374 5.357 11.170 1.00 0.00 C ATOM 951 CZ PHE A 64 110.681 4.562 10.060 1.00 0.00 C ATOM 0 H PHE A 64 112.507 2.303 12.595 1.00 0.00 H new ATOM 0 HA PHE A 64 114.119 3.328 14.904 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.145 5.579 14.037 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.394 4.825 13.066 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.649 3.282 11.123 1.00 0.00 H new ATOM 0 HD2 PHE A 64 111.007 6.018 13.119 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.101 3.199 9.188 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.462 5.936 11.183 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.007 4.527 9.217 1.00 0.00 H new ATOM 961 N VAL A 65 110.825 3.586 14.588 1.00 0.00 N ATOM 962 CA VAL A 65 109.608 3.672 15.455 1.00 0.00 C ATOM 963 C VAL A 65 109.718 2.624 16.565 1.00 0.00 C ATOM 964 O VAL A 65 109.929 2.943 17.719 1.00 0.00 O ATOM 965 CB VAL A 65 108.345 3.410 14.628 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.168 3.131 15.568 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.026 4.639 13.775 1.00 0.00 C ATOM 0 H VAL A 65 110.653 3.593 13.583 1.00 0.00 H new ATOM 0 HA VAL A 65 109.542 4.671 15.886 1.00 0.00 H new ATOM 0 HB VAL A 65 108.511 2.549 13.981 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.269 2.945 14.980 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.390 2.256 16.179 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.006 3.994 16.214 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.127 4.451 13.187 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.862 5.499 14.424 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.861 4.844 13.105 1.00 0.00 H new ATOM 977 N SER A 66 109.595 1.375 16.216 1.00 0.00 N ATOM 978 CA SER A 66 109.712 0.295 17.236 1.00 0.00 C ATOM 979 C SER A 66 110.466 -0.876 16.606 1.00 0.00 C ATOM 980 O SER A 66 110.170 -1.284 15.499 1.00 0.00 O ATOM 981 CB SER A 66 108.319 -0.161 17.674 1.00 0.00 C ATOM 982 OG SER A 66 108.446 -1.151 18.687 1.00 0.00 O ATOM 0 H SER A 66 109.418 1.053 15.264 1.00 0.00 H new ATOM 0 HA SER A 66 110.248 0.662 18.112 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.747 0.688 18.049 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.771 -0.564 16.822 1.00 0.00 H new ATOM 0 HG SER A 66 107.555 -1.444 18.971 1.00 0.00 H new ATOM 988 N ALA A 67 111.445 -1.416 17.282 1.00 0.00 N ATOM 989 CA ALA A 67 112.204 -2.547 16.677 1.00 0.00 C ATOM 990 C ALA A 67 113.144 -3.171 17.707 1.00 0.00 C ATOM 991 O ALA A 67 113.267 -2.706 18.822 1.00 0.00 O ATOM 992 CB ALA A 67 113.026 -2.020 15.501 1.00 0.00 C ATOM 0 H ALA A 67 111.748 -1.128 18.212 1.00 0.00 H new ATOM 0 HA ALA A 67 111.500 -3.307 16.337 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.585 -2.840 15.051 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.359 -1.585 14.757 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.721 -1.258 15.855 1.00 0.00 H new ATOM 998 N PHE A 68 113.811 -4.229 17.333 1.00 0.00 N ATOM 999 CA PHE A 68 114.744 -4.899 18.280 1.00 0.00 C ATOM 1000 C PHE A 68 116.143 -4.312 18.080 1.00 0.00 C ATOM 1001 O PHE A 68 116.545 -4.010 16.976 1.00 0.00 O ATOM 1002 CB PHE A 68 114.787 -6.404 17.983 1.00 0.00 C ATOM 1003 CG PHE A 68 113.386 -6.925 17.747 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.736 -6.646 16.538 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.742 -7.694 18.723 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.445 -7.134 16.305 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.448 -8.182 18.490 1.00 0.00 C ATOM 1008 CZ PHE A 68 110.801 -7.900 17.279 1.00 0.00 C ATOM 0 H PHE A 68 113.749 -4.658 16.410 1.00 0.00 H new ATOM 0 HA PHE A 68 114.407 -4.742 19.305 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.406 -6.592 17.106 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.246 -6.935 18.817 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.232 -6.053 15.784 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.241 -7.912 19.656 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.947 -6.918 15.371 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.950 -8.775 19.243 1.00 0.00 H new ATOM 0 HZ PHE A 68 109.804 -8.275 17.099 1.00 0.00 H new ATOM 1018 N ASN A 69 116.889 -4.135 19.136 1.00 0.00 N ATOM 1019 CA ASN A 69 118.256 -3.556 18.991 1.00 0.00 C ATOM 1020 C ASN A 69 119.249 -4.655 18.613 1.00 0.00 C ATOM 1021 O ASN A 69 118.872 -5.769 18.313 1.00 0.00 O ATOM 1022 CB ASN A 69 118.685 -2.914 20.312 1.00 0.00 C ATOM 1023 CG ASN A 69 117.935 -1.596 20.508 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.388 -1.050 19.571 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.889 -1.058 21.695 1.00 0.00 N ATOM 0 H ASN A 69 116.613 -4.365 20.090 1.00 0.00 H new ATOM 0 HA ASN A 69 118.241 -2.800 18.206 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.476 -3.590 21.141 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.760 -2.735 20.309 1.00 0.00 H new ATOM 0 HD21 ASN A 69 117.393 -0.178 21.837 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.349 -1.517 22.481 1.00 0.00 H new ATOM 1032 N LEU A 70 120.517 -4.349 18.627 1.00 0.00 N ATOM 1033 CA LEU A 70 121.535 -5.374 18.269 1.00 0.00 C ATOM 1034 C LEU A 70 121.532 -6.472 19.335 1.00 0.00 C ATOM 1035 O LEU A 70 122.059 -7.548 19.134 1.00 0.00 O ATOM 1036 CB LEU A 70 122.921 -4.722 18.205 1.00 0.00 C ATOM 1037 CG LEU A 70 123.079 -3.990 16.868 1.00 0.00 C ATOM 1038 CD1 LEU A 70 122.107 -2.810 16.815 1.00 0.00 C ATOM 1039 CD2 LEU A 70 124.513 -3.472 16.735 1.00 0.00 C ATOM 0 H LEU A 70 120.892 -3.432 18.871 1.00 0.00 H new ATOM 0 HA LEU A 70 121.298 -5.805 17.296 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.044 -4.022 19.032 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.697 -5.480 18.311 1.00 0.00 H new ATOM 0 HG LEU A 70 122.863 -4.678 16.051 1.00 0.00 H new ATOM 0 HD11 LEU A 70 122.219 -2.289 15.864 1.00 0.00 H new ATOM 0 HD12 LEU A 70 121.085 -3.176 16.910 1.00 0.00 H new ATOM 0 HD13 LEU A 70 122.324 -2.123 17.633 1.00 0.00 H new ATOM 0 HD21 LEU A 70 124.625 -2.951 15.784 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.729 -2.784 17.553 1.00 0.00 H new ATOM 0 HD23 LEU A 70 125.208 -4.311 16.774 1.00 0.00 H new ATOM 1051 N SER A 71 120.927 -6.211 20.463 1.00 0.00 N ATOM 1052 CA SER A 71 120.870 -7.241 21.537 1.00 0.00 C ATOM 1053 C SER A 71 119.657 -8.140 21.294 1.00 0.00 C ATOM 1054 O SER A 71 119.476 -9.150 21.944 1.00 0.00 O ATOM 1055 CB SER A 71 120.728 -6.555 22.896 1.00 0.00 C ATOM 1056 OG SER A 71 121.863 -5.731 23.126 1.00 0.00 O ATOM 0 H SER A 71 120.469 -5.327 20.686 1.00 0.00 H new ATOM 0 HA SER A 71 121.783 -7.836 21.528 1.00 0.00 H new ATOM 0 HB2 SER A 71 119.818 -5.956 22.921 1.00 0.00 H new ATOM 0 HB3 SER A 71 120.640 -7.301 23.686 1.00 0.00 H new ATOM 0 HG SER A 71 121.775 -5.288 23.996 1.00 0.00 H new ATOM 1062 N GLY A 72 118.821 -7.774 20.357 1.00 0.00 N ATOM 1063 CA GLY A 72 117.616 -8.596 20.061 1.00 0.00 C ATOM 1064 C GLY A 72 116.511 -8.259 21.063 1.00 0.00 C ATOM 1065 O GLY A 72 115.590 -9.025 21.265 1.00 0.00 O ATOM 0 H GLY A 72 118.924 -6.937 19.783 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.272 -8.403 19.045 1.00 0.00 H new ATOM 0 HA3 GLY A 72 117.863 -9.656 20.118 1.00 0.00 H new ATOM 1069 N LYS A 73 116.598 -7.118 21.697 1.00 0.00 N ATOM 1070 CA LYS A 73 115.553 -6.730 22.690 1.00 0.00 C ATOM 1071 C LYS A 73 114.674 -5.628 22.093 1.00 0.00 C ATOM 1072 O LYS A 73 115.156 -4.732 21.432 1.00 0.00 O ATOM 1073 CB LYS A 73 116.236 -6.212 23.958 1.00 0.00 C ATOM 1074 CG LYS A 73 117.182 -7.282 24.515 1.00 0.00 C ATOM 1075 CD LYS A 73 116.372 -8.487 25.000 1.00 0.00 C ATOM 1076 CE LYS A 73 117.227 -9.330 25.948 1.00 0.00 C ATOM 1077 NZ LYS A 73 118.346 -9.954 25.189 1.00 0.00 N ATOM 0 H LYS A 73 117.348 -6.438 21.570 1.00 0.00 H new ATOM 0 HA LYS A 73 114.934 -7.593 22.935 1.00 0.00 H new ATOM 0 HB2 LYS A 73 116.793 -5.302 23.736 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.486 -5.952 24.705 1.00 0.00 H new ATOM 0 HG2 LYS A 73 117.888 -7.593 23.745 1.00 0.00 H new ATOM 0 HG3 LYS A 73 117.767 -6.871 25.337 1.00 0.00 H new ATOM 0 HD2 LYS A 73 115.469 -8.150 25.510 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.052 -9.089 24.150 1.00 0.00 H new ATOM 0 HE2 LYS A 73 117.621 -8.706 26.750 1.00 0.00 H new ATOM 0 HE3 LYS A 73 116.616 -10.102 26.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 118.866 -10.606 25.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 117.964 -10.480 24.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 118.991 -9.212 24.849 1.00 0.00 H new ATOM 1091 N ASN A 74 113.387 -5.688 22.320 1.00 0.00 N ATOM 1092 CA ASN A 74 112.478 -4.645 21.756 1.00 0.00 C ATOM 1093 C ASN A 74 112.766 -3.293 22.415 1.00 0.00 C ATOM 1094 O ASN A 74 112.763 -3.166 23.623 1.00 0.00 O ATOM 1095 CB ASN A 74 111.023 -5.040 22.016 1.00 0.00 C ATOM 1096 CG ASN A 74 110.114 -4.290 21.040 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.474 -4.075 19.900 1.00 0.00 O ATOM 1098 ND2 ASN A 74 108.943 -3.880 21.442 1.00 0.00 N ATOM 0 H ASN A 74 112.927 -6.413 22.871 1.00 0.00 H new ATOM 0 HA ASN A 74 112.648 -4.564 20.682 1.00 0.00 H new ATOM 0 HB2 ASN A 74 110.899 -6.116 21.893 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.748 -4.802 23.043 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.330 -3.379 20.799 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.640 -4.060 22.399 1.00 0.00 H new ATOM 1105 N GLU A 75 113.030 -2.286 21.625 1.00 0.00 N ATOM 1106 CA GLU A 75 113.334 -0.938 22.190 1.00 0.00 C ATOM 1107 C GLU A 75 112.779 0.148 21.260 1.00 0.00 C ATOM 1108 O GLU A 75 112.431 -0.109 20.124 1.00 0.00 O ATOM 1109 CB GLU A 75 114.851 -0.769 22.326 1.00 0.00 C ATOM 1110 CG GLU A 75 115.386 -1.737 23.386 1.00 0.00 C ATOM 1111 CD GLU A 75 114.781 -1.393 24.748 1.00 0.00 C ATOM 1112 OE1 GLU A 75 114.314 -0.277 24.901 1.00 0.00 O ATOM 1113 OE2 GLU A 75 114.795 -2.252 25.614 1.00 0.00 O ATOM 0 H GLU A 75 113.048 -2.340 20.607 1.00 0.00 H new ATOM 0 HA GLU A 75 112.869 -0.845 23.172 1.00 0.00 H new ATOM 0 HB2 GLU A 75 115.335 -0.960 21.368 1.00 0.00 H new ATOM 0 HB3 GLU A 75 115.089 0.258 22.604 1.00 0.00 H new ATOM 0 HG2 GLU A 75 115.137 -2.763 23.115 1.00 0.00 H new ATOM 0 HG3 GLU A 75 116.473 -1.675 23.434 1.00 0.00 H new ATOM 1120 N ASN A 76 112.694 1.364 21.740 1.00 0.00 N ATOM 1121 CA ASN A 76 112.170 2.477 20.890 1.00 0.00 C ATOM 1122 C ASN A 76 113.333 3.379 20.454 1.00 0.00 C ATOM 1123 O ASN A 76 114.206 3.701 21.235 1.00 0.00 O ATOM 1124 CB ASN A 76 111.150 3.292 21.687 1.00 0.00 C ATOM 1125 CG ASN A 76 110.313 4.140 20.728 1.00 0.00 C ATOM 1126 OD1 ASN A 76 110.724 4.406 19.616 1.00 0.00 O ATOM 1127 ND2 ASN A 76 109.145 4.580 21.114 1.00 0.00 N ATOM 0 H ASN A 76 112.965 1.634 22.685 1.00 0.00 H new ATOM 0 HA ASN A 76 111.685 2.064 20.005 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.504 2.626 22.259 1.00 0.00 H new ATOM 0 HB3 ASN A 76 111.662 3.933 22.404 1.00 0.00 H new ATOM 0 HD21 ASN A 76 108.579 5.146 20.482 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.799 4.357 22.047 1.00 0.00 H new ATOM 1134 N LEU A 77 113.354 3.783 19.210 1.00 0.00 N ATOM 1135 CA LEU A 77 114.461 4.657 18.727 1.00 0.00 C ATOM 1136 C LEU A 77 114.061 6.132 18.846 1.00 0.00 C ATOM 1137 O LEU A 77 114.867 7.018 18.641 1.00 0.00 O ATOM 1138 CB LEU A 77 114.755 4.328 17.260 1.00 0.00 C ATOM 1139 CG LEU A 77 116.157 4.825 16.878 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.224 3.862 17.414 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.272 4.901 15.355 1.00 0.00 C ATOM 0 H LEU A 77 112.652 3.545 18.509 1.00 0.00 H new ATOM 0 HA LEU A 77 115.348 4.481 19.335 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.686 3.252 17.100 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.008 4.794 16.618 1.00 0.00 H new ATOM 0 HG LEU A 77 116.313 5.812 17.313 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.214 4.225 17.137 1.00 0.00 H new ATOM 0 HD12 LEU A 77 117.150 3.804 18.500 1.00 0.00 H new ATOM 0 HD13 LEU A 77 117.068 2.872 16.987 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.267 5.254 15.082 1.00 0.00 H new ATOM 0 HD22 LEU A 77 116.108 3.912 14.928 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.523 5.592 14.968 1.00 0.00 H new ATOM 1153 N GLU A 78 112.824 6.407 19.167 1.00 0.00 N ATOM 1154 CA GLU A 78 112.387 7.828 19.283 1.00 0.00 C ATOM 1155 C GLU A 78 113.234 8.539 20.342 1.00 0.00 C ATOM 1156 O GLU A 78 113.730 9.626 20.123 1.00 0.00 O ATOM 1157 CB GLU A 78 110.904 7.875 19.678 1.00 0.00 C ATOM 1158 CG GLU A 78 110.734 7.434 21.133 1.00 0.00 C ATOM 1159 CD GLU A 78 109.246 7.269 21.444 1.00 0.00 C ATOM 1160 OE1 GLU A 78 108.443 7.642 20.606 1.00 0.00 O ATOM 1161 OE2 GLU A 78 108.936 6.777 22.516 1.00 0.00 O ATOM 0 H GLU A 78 112.101 5.712 19.353 1.00 0.00 H new ATOM 0 HA GLU A 78 112.519 8.332 18.325 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.517 8.886 19.548 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.324 7.225 19.023 1.00 0.00 H new ATOM 0 HG2 GLU A 78 111.259 6.494 21.303 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.177 8.172 21.802 1.00 0.00 H new ATOM 1168 N ASN A 79 113.417 7.931 21.481 1.00 0.00 N ATOM 1169 CA ASN A 79 114.249 8.572 22.539 1.00 0.00 C ATOM 1170 C ASN A 79 115.692 8.682 22.039 1.00 0.00 C ATOM 1171 O ASN A 79 116.397 9.623 22.339 1.00 0.00 O ATOM 1172 CB ASN A 79 114.203 7.727 23.813 1.00 0.00 C ATOM 1173 CG ASN A 79 112.860 7.937 24.515 1.00 0.00 C ATOM 1174 OD1 ASN A 79 112.171 8.904 24.257 1.00 0.00 O ATOM 1175 ND2 ASN A 79 112.454 7.065 25.396 1.00 0.00 N ATOM 0 H ASN A 79 113.028 7.020 21.725 1.00 0.00 H new ATOM 0 HA ASN A 79 113.862 9.567 22.761 1.00 0.00 H new ATOM 0 HB2 ASN A 79 114.337 6.673 23.568 1.00 0.00 H new ATOM 0 HB3 ASN A 79 115.021 8.006 24.477 1.00 0.00 H new ATOM 0 HD21 ASN A 79 111.559 7.195 25.868 1.00 0.00 H new ATOM 0 HD22 ASN A 79 113.032 6.253 25.613 1.00 0.00 H new ATOM 1182 N LYS A 80 116.129 7.719 21.273 1.00 0.00 N ATOM 1183 CA LYS A 80 117.521 7.767 20.740 1.00 0.00 C ATOM 1184 C LYS A 80 117.638 8.892 19.711 1.00 0.00 C ATOM 1185 O LYS A 80 118.509 9.736 19.792 1.00 0.00 O ATOM 1186 CB LYS A 80 117.855 6.427 20.076 1.00 0.00 C ATOM 1187 CG LYS A 80 119.170 6.535 19.292 1.00 0.00 C ATOM 1188 CD LYS A 80 120.291 6.983 20.232 1.00 0.00 C ATOM 1189 CE LYS A 80 121.643 6.748 19.561 1.00 0.00 C ATOM 1190 NZ LYS A 80 122.732 7.245 20.448 1.00 0.00 N ATOM 0 H LYS A 80 115.584 6.903 20.994 1.00 0.00 H new ATOM 0 HA LYS A 80 118.218 7.953 21.557 1.00 0.00 H new ATOM 0 HB2 LYS A 80 117.938 5.648 20.834 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.047 6.134 19.406 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.419 5.573 18.845 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.060 7.247 18.474 1.00 0.00 H new ATOM 0 HD2 LYS A 80 120.174 8.038 20.478 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.237 6.429 21.169 1.00 0.00 H new ATOM 0 HE2 LYS A 80 121.781 5.686 19.359 1.00 0.00 H new ATOM 0 HE3 LYS A 80 121.679 7.263 18.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 123.499 7.641 19.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 122.357 7.984 21.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 123.101 6.458 21.019 1.00 0.00 H new ATOM 1204 N LEU A 81 116.764 8.904 18.740 1.00 0.00 N ATOM 1205 CA LEU A 81 116.814 9.965 17.692 1.00 0.00 C ATOM 1206 C LEU A 81 115.424 10.591 17.552 1.00 0.00 C ATOM 1207 O LEU A 81 114.445 9.902 17.350 1.00 0.00 O ATOM 1208 CB LEU A 81 117.228 9.339 16.359 1.00 0.00 C ATOM 1209 CG LEU A 81 117.484 10.441 15.326 1.00 0.00 C ATOM 1210 CD1 LEU A 81 118.711 11.264 15.739 1.00 0.00 C ATOM 1211 CD2 LEU A 81 117.737 9.801 13.961 1.00 0.00 C ATOM 0 H LEU A 81 116.014 8.222 18.627 1.00 0.00 H new ATOM 0 HA LEU A 81 117.537 10.731 17.973 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.127 8.737 16.493 1.00 0.00 H new ATOM 0 HB3 LEU A 81 116.446 8.669 16.003 1.00 0.00 H new ATOM 0 HG LEU A 81 116.615 11.096 15.271 1.00 0.00 H new ATOM 0 HD11 LEU A 81 118.889 12.047 15.001 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.533 11.718 16.714 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.583 10.613 15.795 1.00 0.00 H new ATOM 0 HD21 LEU A 81 117.920 10.581 13.222 1.00 0.00 H new ATOM 0 HD22 LEU A 81 118.607 9.147 14.021 1.00 0.00 H new ATOM 0 HD23 LEU A 81 116.865 9.218 13.665 1.00 0.00 H new ATOM 1223 N LYS A 82 115.324 11.887 17.654 1.00 0.00 N ATOM 1224 CA LYS A 82 113.990 12.541 17.519 1.00 0.00 C ATOM 1225 C LYS A 82 113.604 12.585 16.040 1.00 0.00 C ATOM 1226 O LYS A 82 114.172 13.324 15.264 1.00 0.00 O ATOM 1227 CB LYS A 82 114.063 13.963 18.079 1.00 0.00 C ATOM 1228 CG LYS A 82 114.499 13.917 19.547 1.00 0.00 C ATOM 1229 CD LYS A 82 113.409 13.251 20.391 1.00 0.00 C ATOM 1230 CE LYS A 82 113.611 13.613 21.862 1.00 0.00 C ATOM 1231 NZ LYS A 82 114.868 12.988 22.360 1.00 0.00 N ATOM 0 H LYS A 82 116.105 12.521 17.824 1.00 0.00 H new ATOM 0 HA LYS A 82 113.241 11.976 18.074 1.00 0.00 H new ATOM 0 HB2 LYS A 82 114.769 14.557 17.498 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.091 14.449 17.993 1.00 0.00 H new ATOM 0 HG2 LYS A 82 115.434 13.364 19.641 1.00 0.00 H new ATOM 0 HG3 LYS A 82 114.688 14.927 19.912 1.00 0.00 H new ATOM 0 HD2 LYS A 82 112.425 13.578 20.057 1.00 0.00 H new ATOM 0 HD3 LYS A 82 113.445 12.169 20.263 1.00 0.00 H new ATOM 0 HE2 LYS A 82 113.660 14.696 21.977 1.00 0.00 H new ATOM 0 HE3 LYS A 82 112.762 13.268 22.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 114.929 13.105 23.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 114.869 11.975 22.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 115.686 13.448 21.911 1.00 0.00 H new ATOM 1245 N LEU A 83 112.644 11.789 15.645 1.00 0.00 N ATOM 1246 CA LEU A 83 112.220 11.770 14.215 1.00 0.00 C ATOM 1247 C LEU A 83 110.881 12.494 14.054 1.00 0.00 C ATOM 1248 O LEU A 83 109.975 12.333 14.845 1.00 0.00 O ATOM 1249 CB LEU A 83 112.068 10.319 13.752 1.00 0.00 C ATOM 1250 CG LEU A 83 113.421 9.606 13.835 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.232 8.123 13.515 1.00 0.00 C ATOM 1252 CD2 LEU A 83 114.393 10.224 12.824 1.00 0.00 C ATOM 0 H LEU A 83 112.134 11.149 16.254 1.00 0.00 H new ATOM 0 HA LEU A 83 112.975 12.276 13.612 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.336 9.804 14.374 1.00 0.00 H new ATOM 0 HB3 LEU A 83 111.694 10.291 12.729 1.00 0.00 H new ATOM 0 HG LEU A 83 113.827 9.716 14.841 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.193 7.613 13.573 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.542 7.681 14.234 1.00 0.00 H new ATOM 0 HD13 LEU A 83 112.825 8.017 12.509 1.00 0.00 H new ATOM 0 HD21 LEU A 83 115.355 9.715 12.886 1.00 0.00 H new ATOM 0 HD22 LEU A 83 113.989 10.116 11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 83 114.528 11.282 13.049 1.00 0.00 H new ATOM 1264 N THR A 84 110.754 13.287 13.022 1.00 0.00 N ATOM 1265 CA THR A 84 109.474 14.024 12.790 1.00 0.00 C ATOM 1266 C THR A 84 108.952 13.701 11.390 1.00 0.00 C ATOM 1267 O THR A 84 109.678 13.209 10.549 1.00 0.00 O ATOM 1268 CB THR A 84 109.721 15.530 12.902 1.00 0.00 C ATOM 1269 OG1 THR A 84 110.560 15.951 11.835 1.00 0.00 O ATOM 1270 CG2 THR A 84 110.396 15.843 14.238 1.00 0.00 C ATOM 0 H THR A 84 111.482 13.457 12.328 1.00 0.00 H new ATOM 0 HA THR A 84 108.740 13.720 13.536 1.00 0.00 H new ATOM 0 HB THR A 84 108.769 16.058 12.848 1.00 0.00 H new ATOM 0 HG1 THR A 84 110.718 16.916 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 84 110.571 16.916 14.315 1.00 0.00 H new ATOM 0 HG22 THR A 84 109.751 15.521 15.056 1.00 0.00 H new ATOM 0 HG23 THR A 84 111.348 15.315 14.297 1.00 0.00 H new ATOM 1278 N ASN A 85 107.697 13.964 11.131 1.00 0.00 N ATOM 1279 CA ASN A 85 107.135 13.668 9.783 1.00 0.00 C ATOM 1280 C ASN A 85 107.376 12.197 9.439 1.00 0.00 C ATOM 1281 O ASN A 85 107.899 11.871 8.394 1.00 0.00 O ATOM 1282 CB ASN A 85 107.806 14.559 8.737 1.00 0.00 C ATOM 1283 CG ASN A 85 107.339 16.003 8.917 1.00 0.00 C ATOM 1284 OD1 ASN A 85 106.317 16.251 9.526 1.00 0.00 O ATOM 1285 ND2 ASN A 85 108.049 16.973 8.411 1.00 0.00 N ATOM 0 H ASN A 85 107.039 14.371 11.796 1.00 0.00 H new ATOM 0 HA ASN A 85 106.063 13.866 9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 85 108.890 14.502 8.837 1.00 0.00 H new ATOM 0 HB3 ASN A 85 107.560 14.209 7.735 1.00 0.00 H new ATOM 0 HD21 ASN A 85 107.747 17.940 8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 85 108.907 16.764 7.900 1.00 0.00 H new ATOM 1292 N ILE A 86 107.007 11.305 10.317 1.00 0.00 N ATOM 1293 CA ILE A 86 107.224 9.856 10.050 1.00 0.00 C ATOM 1294 C ILE A 86 106.145 9.327 9.099 1.00 0.00 C ATOM 1295 O ILE A 86 104.967 9.537 9.302 1.00 0.00 O ATOM 1296 CB ILE A 86 107.169 9.093 11.375 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.350 9.519 12.251 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.243 7.589 11.111 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.165 8.971 13.668 1.00 0.00 C ATOM 0 H ILE A 86 106.563 11.519 11.210 1.00 0.00 H new ATOM 0 HA ILE A 86 108.198 9.714 9.583 1.00 0.00 H new ATOM 0 HB ILE A 86 106.233 9.319 11.885 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.283 9.148 11.826 1.00 0.00 H new ATOM 0 HG13 ILE A 86 108.422 10.606 12.278 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.203 7.051 12.058 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.402 7.287 10.487 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.177 7.355 10.599 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.007 9.276 14.289 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.241 9.363 14.092 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.115 7.883 13.634 1.00 0.00 H new ATOM 1311 N ILE A 87 106.548 8.634 8.062 1.00 0.00 N ATOM 1312 CA ILE A 87 105.558 8.080 7.088 1.00 0.00 C ATOM 1313 C ILE A 87 105.693 6.555 7.044 1.00 0.00 C ATOM 1314 O ILE A 87 106.740 6.035 6.716 1.00 0.00 O ATOM 1315 CB ILE A 87 105.850 8.639 5.692 1.00 0.00 C ATOM 1316 CG1 ILE A 87 105.799 10.171 5.720 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.816 8.110 4.695 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.448 10.639 6.268 1.00 0.00 C ATOM 0 H ILE A 87 107.524 8.428 7.848 1.00 0.00 H new ATOM 0 HA ILE A 87 104.551 8.359 7.397 1.00 0.00 H new ATOM 0 HB ILE A 87 106.846 8.319 5.384 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.607 10.559 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 87 105.950 10.567 4.716 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.028 8.511 3.704 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.864 7.021 4.664 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.819 8.421 5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.420 11.729 6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 87 103.647 10.265 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.314 10.257 7.280 1.00 0.00 H new ATOM 1330 N MET A 88 104.646 5.833 7.372 1.00 0.00 N ATOM 1331 CA MET A 88 104.731 4.338 7.346 1.00 0.00 C ATOM 1332 C MET A 88 103.627 3.770 6.448 1.00 0.00 C ATOM 1333 O MET A 88 102.461 3.803 6.789 1.00 0.00 O ATOM 1334 CB MET A 88 104.561 3.788 8.764 1.00 0.00 C ATOM 1335 CG MET A 88 105.566 4.465 9.699 1.00 0.00 C ATOM 1336 SD MET A 88 105.324 3.867 11.392 1.00 0.00 S ATOM 1337 CE MET A 88 106.089 2.241 11.179 1.00 0.00 C ATOM 0 H MET A 88 103.742 6.212 7.655 1.00 0.00 H new ATOM 0 HA MET A 88 105.705 4.044 6.954 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.545 3.966 9.115 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.715 2.709 8.768 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.583 4.253 9.370 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.439 5.547 9.664 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.513 1.911 12.127 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.336 1.525 10.850 1.00 0.00 H new ATOM 0 HE3 MET A 88 106.879 2.306 10.431 1.00 0.00 H new ATOM 1347 N ASP A 89 103.989 3.238 5.308 1.00 0.00 N ATOM 1348 CA ASP A 89 102.967 2.647 4.387 1.00 0.00 C ATOM 1349 C ASP A 89 103.162 1.127 4.337 1.00 0.00 C ATOM 1350 O ASP A 89 104.036 0.620 3.656 1.00 0.00 O ATOM 1351 CB ASP A 89 103.147 3.231 2.987 1.00 0.00 C ATOM 1352 CG ASP A 89 102.681 4.689 2.975 1.00 0.00 C ATOM 1353 OD1 ASP A 89 102.014 5.085 3.916 1.00 0.00 O ATOM 1354 OD2 ASP A 89 103.000 5.383 2.024 1.00 0.00 O ATOM 0 H ASP A 89 104.951 3.187 4.973 1.00 0.00 H new ATOM 0 HA ASP A 89 101.965 2.879 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 89 104.194 3.171 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 89 102.575 2.650 2.263 1.00 0.00 H new ATOM 1359 N HIS A 90 102.358 0.389 5.052 1.00 0.00 N ATOM 1360 CA HIS A 90 102.499 -1.095 5.049 1.00 0.00 C ATOM 1361 C HIS A 90 102.033 -1.679 3.711 1.00 0.00 C ATOM 1362 O HIS A 90 102.592 -2.640 3.219 1.00 0.00 O ATOM 1363 CB HIS A 90 101.664 -1.687 6.185 1.00 0.00 C ATOM 1364 CG HIS A 90 102.246 -1.262 7.506 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.379 -1.858 8.041 1.00 0.00 N ATOM 1366 CD2 HIS A 90 101.864 -0.302 8.411 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.638 -1.257 9.217 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.744 -0.303 9.487 1.00 0.00 N ATOM 0 H HIS A 90 101.607 0.751 5.640 1.00 0.00 H new ATOM 0 HA HIS A 90 103.550 -1.348 5.192 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.630 -1.350 6.105 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.651 -2.775 6.113 1.00 0.00 H new ATOM 0 HD2 HIS A 90 101.012 0.352 8.303 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.465 -1.514 9.862 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.713 0.299 10.310 1.00 0.00 H new ATOM 1377 N TYR A 91 101.012 -1.122 3.121 1.00 0.00 N ATOM 1378 CA TYR A 91 100.520 -1.669 1.822 1.00 0.00 C ATOM 1379 C TYR A 91 101.629 -1.571 0.772 1.00 0.00 C ATOM 1380 O TYR A 91 101.901 -2.515 0.056 1.00 0.00 O ATOM 1381 CB TYR A 91 99.300 -0.877 1.352 1.00 0.00 C ATOM 1382 CG TYR A 91 98.870 -1.382 -0.004 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.181 -2.595 -0.117 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.165 -0.636 -1.152 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.788 -3.064 -1.376 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.771 -1.104 -2.411 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.083 -2.317 -2.524 1.00 0.00 C ATOM 1388 OH TYR A 91 97.695 -2.779 -3.766 1.00 0.00 O ATOM 0 H TYR A 91 100.498 -0.316 3.478 1.00 0.00 H new ATOM 0 HA TYR A 91 100.238 -2.713 1.958 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.485 -0.984 2.068 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.540 0.185 1.298 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.952 -3.170 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.696 0.300 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.258 -4.001 -1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 91 98.998 -0.528 -3.296 1.00 0.00 H new ATOM 0 HH TYR A 91 97.976 -2.141 -4.455 1.00 0.00 H new ATOM 1398 N ASN A 92 102.275 -0.440 0.676 1.00 0.00 N ATOM 1399 CA ASN A 92 103.367 -0.296 -0.327 1.00 0.00 C ATOM 1400 C ASN A 92 104.680 -0.779 0.291 1.00 0.00 C ATOM 1401 O ASN A 92 105.697 -0.861 -0.370 1.00 0.00 O ATOM 1402 CB ASN A 92 103.497 1.172 -0.737 1.00 0.00 C ATOM 1403 CG ASN A 92 102.329 1.554 -1.647 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.658 0.696 -2.185 1.00 0.00 O ATOM 1405 ND2 ASN A 92 102.059 2.815 -1.849 1.00 0.00 N ATOM 0 H ASN A 92 102.094 0.386 1.246 1.00 0.00 H new ATOM 0 HA ASN A 92 103.137 -0.893 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.505 1.808 0.148 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.443 1.334 -1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.285 3.080 -2.458 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.622 3.536 -1.398 1.00 0.00 H new ATOM 1412 N ASN A 93 104.655 -1.119 1.552 1.00 0.00 N ATOM 1413 CA ASN A 93 105.889 -1.625 2.216 1.00 0.00 C ATOM 1414 C ASN A 93 107.031 -0.620 2.046 1.00 0.00 C ATOM 1415 O ASN A 93 108.134 -0.981 1.689 1.00 0.00 O ATOM 1416 CB ASN A 93 106.291 -2.966 1.592 1.00 0.00 C ATOM 1417 CG ASN A 93 105.274 -4.039 1.988 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.532 -3.868 2.935 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.212 -5.150 1.302 1.00 0.00 N ATOM 0 H ASN A 93 103.831 -1.068 2.151 1.00 0.00 H new ATOM 0 HA ASN A 93 105.690 -1.759 3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.336 -2.875 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.287 -3.252 1.929 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.541 -5.873 1.562 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.835 -5.294 0.507 1.00 0.00 H new ATOM 1426 N THR A 94 106.781 0.643 2.296 1.00 0.00 N ATOM 1427 CA THR A 94 107.859 1.666 2.148 1.00 0.00 C ATOM 1428 C THR A 94 107.856 2.586 3.372 1.00 0.00 C ATOM 1429 O THR A 94 106.816 2.959 3.879 1.00 0.00 O ATOM 1430 CB THR A 94 107.613 2.492 0.884 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.543 3.564 0.838 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.191 3.052 0.906 1.00 0.00 C ATOM 0 H THR A 94 105.877 1.008 2.596 1.00 0.00 H new ATOM 0 HA THR A 94 108.825 1.168 2.069 1.00 0.00 H new ATOM 0 HB THR A 94 107.738 1.860 0.005 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.111 4.355 0.453 1.00 0.00 H new ATOM 0 HG21 THR A 94 106.018 3.640 0.005 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.477 2.230 0.946 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.063 3.686 1.783 1.00 0.00 H new ATOM 1440 N PHE A 95 109.018 2.944 3.856 1.00 0.00 N ATOM 1441 CA PHE A 95 109.084 3.834 5.059 1.00 0.00 C ATOM 1442 C PHE A 95 110.002 5.026 4.778 1.00 0.00 C ATOM 1443 O PHE A 95 111.037 4.883 4.160 1.00 0.00 O ATOM 1444 CB PHE A 95 109.647 3.034 6.236 1.00 0.00 C ATOM 1445 CG PHE A 95 108.758 1.841 6.502 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.837 0.714 5.677 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.860 1.861 7.573 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.015 -0.393 5.922 1.00 0.00 C ATOM 1449 CE2 PHE A 95 107.038 0.755 7.820 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.115 -0.372 6.995 1.00 0.00 C ATOM 0 H PHE A 95 109.921 2.661 3.474 1.00 0.00 H new ATOM 0 HA PHE A 95 108.085 4.200 5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.661 2.703 6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.705 3.664 7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.532 0.698 4.851 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.800 2.731 8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.075 -1.262 5.284 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.344 0.772 8.648 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.481 -1.225 7.185 1.00 0.00 H new ATOM 1460 N TYR A 96 109.636 6.201 5.231 1.00 0.00 N ATOM 1461 CA TYR A 96 110.489 7.404 4.994 1.00 0.00 C ATOM 1462 C TYR A 96 110.534 8.249 6.273 1.00 0.00 C ATOM 1463 O TYR A 96 109.585 8.295 7.031 1.00 0.00 O ATOM 1464 CB TYR A 96 109.892 8.261 3.872 1.00 0.00 C ATOM 1465 CG TYR A 96 109.691 7.437 2.626 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.732 7.302 1.698 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.457 6.826 2.386 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.537 6.548 0.533 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.262 6.076 1.222 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.302 5.937 0.296 1.00 0.00 C ATOM 1471 OH TYR A 96 109.107 5.197 -0.854 1.00 0.00 O ATOM 0 H TYR A 96 108.780 6.377 5.756 1.00 0.00 H new ATOM 0 HA TYR A 96 111.490 7.076 4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.939 8.680 4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.553 9.100 3.657 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.684 7.779 1.880 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.654 6.933 3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.340 6.439 -0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.308 5.604 1.038 1.00 0.00 H new ATOM 0 HH TYR A 96 109.291 4.252 -0.670 1.00 0.00 H new ATOM 1481 N SER A 97 111.622 8.931 6.512 1.00 0.00 N ATOM 1482 CA SER A 97 111.719 9.788 7.729 1.00 0.00 C ATOM 1483 C SER A 97 112.781 10.871 7.504 1.00 0.00 C ATOM 1484 O SER A 97 113.643 10.740 6.655 1.00 0.00 O ATOM 1485 CB SER A 97 112.112 8.932 8.933 1.00 0.00 C ATOM 1486 OG SER A 97 111.119 7.937 9.147 1.00 0.00 O ATOM 0 H SER A 97 112.449 8.932 5.916 1.00 0.00 H new ATOM 0 HA SER A 97 110.753 10.256 7.920 1.00 0.00 H new ATOM 0 HB2 SER A 97 113.081 8.464 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 97 112.214 9.557 9.820 1.00 0.00 H new ATOM 0 HG SER A 97 110.303 8.180 8.662 1.00 0.00 H new ATOM 1492 N ARG A 98 112.727 11.940 8.257 1.00 0.00 N ATOM 1493 CA ARG A 98 113.738 13.030 8.085 1.00 0.00 C ATOM 1494 C ARG A 98 114.765 12.961 9.212 1.00 0.00 C ATOM 1495 O ARG A 98 114.437 12.712 10.356 1.00 0.00 O ATOM 1496 CB ARG A 98 113.041 14.395 8.121 1.00 0.00 C ATOM 1497 CG ARG A 98 112.434 14.713 6.747 1.00 0.00 C ATOM 1498 CD ARG A 98 111.075 14.020 6.590 1.00 0.00 C ATOM 1499 NE ARG A 98 111.296 12.658 6.022 1.00 0.00 N ATOM 1500 CZ ARG A 98 110.302 11.818 5.913 1.00 0.00 C ATOM 1501 NH1 ARG A 98 109.133 12.110 6.416 1.00 0.00 N ATOM 1502 NH2 ARG A 98 110.485 10.673 5.327 1.00 0.00 N ATOM 0 H ARG A 98 112.029 12.106 8.982 1.00 0.00 H new ATOM 0 HA ARG A 98 114.239 12.902 7.125 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.260 14.393 8.881 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.755 15.170 8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.315 15.791 6.636 1.00 0.00 H new ATOM 0 HG3 ARG A 98 113.111 14.384 5.958 1.00 0.00 H new ATOM 0 HD2 ARG A 98 110.573 13.950 7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 98 110.427 14.602 5.935 1.00 0.00 H new ATOM 0 HE ARG A 98 112.229 12.381 5.717 1.00 0.00 H new ATOM 0 HH11 ARG A 98 108.992 12.998 6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 98 108.360 11.450 6.328 1.00 0.00 H new ATOM 0 HH21 ARG A 98 111.403 10.432 4.954 1.00 0.00 H new ATOM 0 HH22 ARG A 98 109.711 10.015 5.240 1.00 0.00 H new ATOM 1516 N LEU A 99 116.010 13.175 8.889 1.00 0.00 N ATOM 1517 CA LEU A 99 117.074 13.122 9.926 1.00 0.00 C ATOM 1518 C LEU A 99 117.300 14.526 10.504 1.00 0.00 C ATOM 1519 O LEU A 99 117.348 15.492 9.770 1.00 0.00 O ATOM 1520 CB LEU A 99 118.382 12.642 9.293 1.00 0.00 C ATOM 1521 CG LEU A 99 118.328 11.135 9.028 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.632 10.694 8.353 1.00 0.00 C ATOM 1523 CD2 LEU A 99 118.156 10.376 10.355 1.00 0.00 C ATOM 0 H LEU A 99 116.336 13.385 7.946 1.00 0.00 H new ATOM 0 HA LEU A 99 116.766 12.437 10.716 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.558 13.175 8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.218 12.871 9.953 1.00 0.00 H new ATOM 0 HG LEU A 99 117.482 10.913 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.598 9.621 8.162 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.752 11.227 7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.475 10.920 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 99 118.118 9.304 10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 99 118.998 10.595 11.011 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.230 10.690 10.836 1.00 0.00 H new ATOM 1535 N PRO A 100 117.476 14.652 11.801 1.00 0.00 N ATOM 1536 CA PRO A 100 117.731 15.975 12.431 1.00 0.00 C ATOM 1537 C PRO A 100 118.801 16.757 11.666 1.00 0.00 C ATOM 1538 O PRO A 100 119.586 16.192 10.930 1.00 0.00 O ATOM 1539 CB PRO A 100 118.236 15.617 13.831 1.00 0.00 C ATOM 1540 CG PRO A 100 117.644 14.285 14.138 1.00 0.00 C ATOM 1541 CD PRO A 100 117.433 13.571 12.803 1.00 0.00 C ATOM 0 HA PRO A 100 116.844 16.608 12.440 1.00 0.00 H new ATOM 0 HB2 PRO A 100 119.325 15.578 13.858 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.926 16.363 14.563 1.00 0.00 H new ATOM 0 HG2 PRO A 100 118.306 13.708 14.783 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.699 14.396 14.669 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.211 12.829 12.621 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.479 13.045 12.780 1.00 0.00 H new ATOM 1549 N SER A 101 118.827 18.050 11.814 1.00 0.00 N ATOM 1550 CA SER A 101 119.837 18.856 11.078 1.00 0.00 C ATOM 1551 C SER A 101 121.232 18.585 11.643 1.00 0.00 C ATOM 1552 O SER A 101 122.230 18.881 11.018 1.00 0.00 O ATOM 1553 CB SER A 101 119.513 20.341 11.223 1.00 0.00 C ATOM 1554 OG SER A 101 120.400 21.095 10.408 1.00 0.00 O ATOM 0 H SER A 101 118.194 18.583 12.411 1.00 0.00 H new ATOM 0 HA SER A 101 119.814 18.578 10.024 1.00 0.00 H new ATOM 0 HB2 SER A 101 118.481 20.530 10.929 1.00 0.00 H new ATOM 0 HB3 SER A 101 119.609 20.646 12.265 1.00 0.00 H new ATOM 0 HG SER A 101 120.195 22.049 10.497 1.00 0.00 H new ATOM 1560 N LEU A 102 121.311 18.038 12.830 1.00 0.00 N ATOM 1561 CA LEU A 102 122.645 17.766 13.449 1.00 0.00 C ATOM 1562 C LEU A 102 122.762 16.294 13.854 1.00 0.00 C ATOM 1563 O LEU A 102 121.910 15.759 14.533 1.00 0.00 O ATOM 1564 CB LEU A 102 122.800 18.649 14.687 1.00 0.00 C ATOM 1565 CG LEU A 102 124.208 18.494 15.266 1.00 0.00 C ATOM 1566 CD1 LEU A 102 125.248 18.945 14.235 1.00 0.00 C ATOM 1567 CD2 LEU A 102 124.331 19.359 16.524 1.00 0.00 C ATOM 0 H LEU A 102 120.508 17.768 13.398 1.00 0.00 H new ATOM 0 HA LEU A 102 123.429 17.987 12.724 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.618 19.691 14.426 1.00 0.00 H new ATOM 0 HB3 LEU A 102 122.057 18.374 15.436 1.00 0.00 H new ATOM 0 HG LEU A 102 124.383 17.448 15.516 1.00 0.00 H new ATOM 0 HD11 LEU A 102 126.248 18.832 14.654 1.00 0.00 H new ATOM 0 HD12 LEU A 102 125.159 18.333 13.337 1.00 0.00 H new ATOM 0 HD13 LEU A 102 125.078 19.991 13.980 1.00 0.00 H new ATOM 0 HD21 LEU A 102 125.332 19.253 16.942 1.00 0.00 H new ATOM 0 HD22 LEU A 102 124.154 20.403 16.266 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.595 19.037 17.260 1.00 0.00 H new ATOM 1579 N ILE A 103 123.824 15.644 13.455 1.00 0.00 N ATOM 1580 CA ILE A 103 124.022 14.212 13.829 1.00 0.00 C ATOM 1581 C ILE A 103 125.524 13.937 13.939 1.00 0.00 C ATOM 1582 O ILE A 103 126.207 13.798 12.946 1.00 0.00 O ATOM 1583 CB ILE A 103 123.418 13.294 12.763 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.892 13.423 12.771 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.805 11.844 13.058 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.301 12.615 11.618 1.00 0.00 C ATOM 0 H ILE A 103 124.567 16.046 12.883 1.00 0.00 H new ATOM 0 HA ILE A 103 123.528 14.016 14.781 1.00 0.00 H new ATOM 0 HB ILE A 103 123.800 13.583 11.784 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.492 13.066 13.720 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.605 14.471 12.678 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.375 11.191 12.299 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.891 11.748 13.047 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.426 11.559 14.039 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.215 12.709 11.627 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.690 12.992 10.672 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.575 11.566 11.731 1.00 0.00 H new ATOM 1598 N SER A 104 126.043 13.864 15.138 1.00 0.00 N ATOM 1599 CA SER A 104 127.506 13.605 15.308 1.00 0.00 C ATOM 1600 C SER A 104 127.719 12.234 15.953 1.00 0.00 C ATOM 1601 O SER A 104 128.831 11.841 16.240 1.00 0.00 O ATOM 1602 CB SER A 104 128.111 14.690 16.199 1.00 0.00 C ATOM 1603 OG SER A 104 127.953 15.955 15.569 1.00 0.00 O ATOM 0 H SER A 104 125.518 13.972 16.006 1.00 0.00 H new ATOM 0 HA SER A 104 127.992 13.619 14.332 1.00 0.00 H new ATOM 0 HB2 SER A 104 127.622 14.692 17.173 1.00 0.00 H new ATOM 0 HB3 SER A 104 129.168 14.487 16.373 1.00 0.00 H new ATOM 0 HG SER A 104 128.338 16.654 16.138 1.00 0.00 H new ATOM 1609 N ASP A 105 126.663 11.506 16.187 1.00 0.00 N ATOM 1610 CA ASP A 105 126.808 10.163 16.818 1.00 0.00 C ATOM 1611 C ASP A 105 127.001 9.095 15.737 1.00 0.00 C ATOM 1612 O ASP A 105 126.593 9.259 14.604 1.00 0.00 O ATOM 1613 CB ASP A 105 125.550 9.842 17.627 1.00 0.00 C ATOM 1614 CG ASP A 105 125.711 8.480 18.304 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.821 7.971 18.311 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.723 7.967 18.802 1.00 0.00 O ATOM 0 H ASP A 105 125.706 11.782 15.969 1.00 0.00 H new ATOM 0 HA ASP A 105 127.677 10.170 17.475 1.00 0.00 H new ATOM 0 HB2 ASP A 105 125.380 10.615 18.377 1.00 0.00 H new ATOM 0 HB3 ASP A 105 124.677 9.834 16.974 1.00 0.00 H new ATOM 1621 N ASN A 106 127.618 7.999 16.086 1.00 0.00 N ATOM 1622 CA ASN A 106 127.842 6.904 15.098 1.00 0.00 C ATOM 1623 C ASN A 106 126.733 5.859 15.255 1.00 0.00 C ATOM 1624 O ASN A 106 126.958 4.675 15.113 1.00 0.00 O ATOM 1625 CB ASN A 106 129.195 6.238 15.358 1.00 0.00 C ATOM 1626 CG ASN A 106 130.326 7.192 14.970 1.00 0.00 C ATOM 1627 OD1 ASN A 106 130.118 8.136 14.236 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.526 6.979 15.437 1.00 0.00 N ATOM 0 H ASN A 106 127.980 7.813 17.021 1.00 0.00 H new ATOM 0 HA ASN A 106 127.831 7.318 14.090 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.281 5.967 16.410 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.273 5.315 14.784 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.290 7.606 15.185 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.700 6.185 16.054 1.00 0.00 H new ATOM 1635 N TRP A 107 125.547 6.285 15.585 1.00 0.00 N ATOM 1636 CA TRP A 107 124.437 5.313 15.796 1.00 0.00 C ATOM 1637 C TRP A 107 124.137 4.557 14.502 1.00 0.00 C ATOM 1638 O TRP A 107 124.396 5.025 13.409 1.00 0.00 O ATOM 1639 CB TRP A 107 123.176 6.063 16.246 1.00 0.00 C ATOM 1640 CG TRP A 107 122.724 7.001 15.168 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.382 8.118 14.777 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.517 6.937 14.354 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.667 8.731 13.769 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.509 8.045 13.474 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.442 6.035 14.290 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.473 8.250 12.565 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.396 6.244 13.378 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.412 7.346 12.520 1.00 0.00 C ATOM 0 H TRP A 107 125.297 7.265 15.718 1.00 0.00 H new ATOM 0 HA TRP A 107 124.739 4.600 16.563 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.383 5.352 16.476 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.381 6.619 17.161 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.316 8.472 15.188 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.960 9.588 13.299 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.420 5.177 14.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.492 9.102 11.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.572 5.547 13.339 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.602 7.498 11.821 1.00 0.00 H new ATOM 1659 N LYS A 108 123.604 3.373 14.632 1.00 0.00 N ATOM 1660 CA LYS A 108 123.286 2.541 13.439 1.00 0.00 C ATOM 1661 C LYS A 108 121.961 1.818 13.670 1.00 0.00 C ATOM 1662 O LYS A 108 121.621 1.473 14.786 1.00 0.00 O ATOM 1663 CB LYS A 108 124.403 1.510 13.233 1.00 0.00 C ATOM 1664 CG LYS A 108 123.921 0.397 12.294 1.00 0.00 C ATOM 1665 CD LYS A 108 125.093 -0.527 11.932 1.00 0.00 C ATOM 1666 CE LYS A 108 124.607 -1.977 11.874 1.00 0.00 C ATOM 1667 NZ LYS A 108 123.338 -2.046 11.098 1.00 0.00 N ATOM 0 H LYS A 108 123.373 2.942 15.527 1.00 0.00 H new ATOM 0 HA LYS A 108 123.206 3.174 12.556 1.00 0.00 H new ATOM 0 HB2 LYS A 108 125.284 1.995 12.813 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.699 1.085 14.192 1.00 0.00 H new ATOM 0 HG2 LYS A 108 123.129 -0.178 12.774 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.496 0.832 11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 108 125.515 -0.236 10.970 1.00 0.00 H new ATOM 0 HD3 LYS A 108 125.888 -0.429 12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 108 125.365 -2.607 11.408 1.00 0.00 H new ATOM 0 HE3 LYS A 108 124.450 -2.360 12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 123.142 -3.034 10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 122.557 -1.677 11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 123.428 -1.475 10.234 1.00 0.00 H new ATOM 1681 N PHE A 109 121.216 1.563 12.626 1.00 0.00 N ATOM 1682 CA PHE A 109 119.924 0.838 12.805 1.00 0.00 C ATOM 1683 C PHE A 109 119.570 0.133 11.493 1.00 0.00 C ATOM 1684 O PHE A 109 120.130 0.434 10.455 1.00 0.00 O ATOM 1685 CB PHE A 109 118.822 1.827 13.191 1.00 0.00 C ATOM 1686 CG PHE A 109 118.411 2.643 11.992 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.138 3.783 11.635 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.293 2.262 11.241 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.747 4.544 10.527 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.901 3.023 10.134 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.628 4.164 9.777 1.00 0.00 C ATOM 0 H PHE A 109 121.444 1.823 11.666 1.00 0.00 H new ATOM 0 HA PHE A 109 120.018 0.100 13.601 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.961 1.287 13.585 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.176 2.486 13.984 1.00 0.00 H new ATOM 0 HD1 PHE A 109 120.001 4.076 12.214 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.733 1.381 11.516 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.309 5.424 10.251 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.038 2.730 9.555 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.326 4.752 8.923 1.00 0.00 H new ATOM 1701 N PHE A 110 118.669 -0.816 11.519 1.00 0.00 N ATOM 1702 CA PHE A 110 118.333 -1.529 10.256 1.00 0.00 C ATOM 1703 C PHE A 110 116.916 -2.122 10.293 1.00 0.00 C ATOM 1704 O PHE A 110 116.336 -2.343 11.336 1.00 0.00 O ATOM 1705 CB PHE A 110 119.348 -2.657 10.044 1.00 0.00 C ATOM 1706 CG PHE A 110 119.546 -3.411 11.338 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.437 -2.921 12.301 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.843 -4.599 11.574 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.625 -3.618 13.500 1.00 0.00 C ATOM 1710 CE2 PHE A 110 119.035 -5.296 12.775 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.925 -4.805 13.736 1.00 0.00 C ATOM 0 H PHE A 110 118.160 -1.123 12.348 1.00 0.00 H new ATOM 0 HA PHE A 110 118.371 -0.811 9.437 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.996 -3.335 9.267 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.298 -2.246 9.702 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.979 -2.005 12.118 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.155 -4.977 10.833 1.00 0.00 H new ATOM 0 HE1 PHE A 110 121.311 -3.239 14.243 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.495 -6.213 12.959 1.00 0.00 H new ATOM 0 HZ PHE A 110 120.072 -5.343 14.661 1.00 0.00 H new ATOM 1721 N CYS A 111 116.381 -2.402 9.133 1.00 0.00 N ATOM 1722 CA CYS A 111 115.023 -3.013 9.029 1.00 0.00 C ATOM 1723 C CYS A 111 115.155 -4.320 8.247 1.00 0.00 C ATOM 1724 O CYS A 111 116.089 -4.493 7.492 1.00 0.00 O ATOM 1725 CB CYS A 111 114.076 -2.063 8.291 1.00 0.00 C ATOM 1726 SG CYS A 111 113.693 -0.641 9.345 1.00 0.00 S ATOM 0 H CYS A 111 116.837 -2.229 8.237 1.00 0.00 H new ATOM 0 HA CYS A 111 114.617 -3.201 10.023 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.535 -1.726 7.362 1.00 0.00 H new ATOM 0 HB3 CYS A 111 113.158 -2.586 8.022 1.00 0.00 H new ATOM 1731 N VAL A 112 114.258 -5.254 8.429 1.00 0.00 N ATOM 1732 CA VAL A 112 114.387 -6.557 7.701 1.00 0.00 C ATOM 1733 C VAL A 112 113.094 -6.936 6.973 1.00 0.00 C ATOM 1734 O VAL A 112 112.005 -6.810 7.492 1.00 0.00 O ATOM 1735 CB VAL A 112 114.739 -7.658 8.701 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.573 -9.024 8.034 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.191 -7.487 9.152 1.00 0.00 C ATOM 0 H VAL A 112 113.448 -5.175 9.044 1.00 0.00 H new ATOM 0 HA VAL A 112 115.173 -6.447 6.954 1.00 0.00 H new ATOM 0 HB VAL A 112 114.077 -7.592 9.564 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.824 -9.810 8.747 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.540 -9.146 7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.236 -9.091 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.445 -8.271 9.865 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.851 -7.555 8.287 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.313 -6.513 9.625 1.00 0.00 H new ATOM 1747 N CYS A 113 113.234 -7.449 5.774 1.00 0.00 N ATOM 1748 CA CYS A 113 112.058 -7.910 4.981 1.00 0.00 C ATOM 1749 C CYS A 113 112.300 -9.386 4.643 1.00 0.00 C ATOM 1750 O CYS A 113 113.379 -9.749 4.215 1.00 0.00 O ATOM 1751 CB CYS A 113 111.953 -7.100 3.688 1.00 0.00 C ATOM 1752 SG CYS A 113 111.488 -5.390 4.064 1.00 0.00 S ATOM 0 H CYS A 113 114.132 -7.568 5.306 1.00 0.00 H new ATOM 0 HA CYS A 113 111.134 -7.780 5.544 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.906 -7.119 3.159 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.213 -7.550 3.026 1.00 0.00 H new ATOM 1757 N SER A 114 111.344 -10.255 4.845 1.00 0.00 N ATOM 1758 CA SER A 114 111.611 -11.689 4.534 1.00 0.00 C ATOM 1759 C SER A 114 110.335 -12.534 4.627 1.00 0.00 C ATOM 1760 O SER A 114 109.267 -12.056 4.964 1.00 0.00 O ATOM 1761 CB SER A 114 112.624 -12.225 5.543 1.00 0.00 C ATOM 1762 OG SER A 114 112.120 -12.029 6.858 1.00 0.00 O ATOM 0 H SER A 114 110.413 -10.042 5.203 1.00 0.00 H new ATOM 0 HA SER A 114 111.992 -11.754 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.807 -13.285 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.579 -11.712 5.426 1.00 0.00 H new ATOM 0 HG SER A 114 112.766 -12.373 7.510 1.00 0.00 H new ATOM 1768 N LYS A 115 110.473 -13.803 4.343 1.00 0.00 N ATOM 1769 CA LYS A 115 109.328 -14.753 4.424 1.00 0.00 C ATOM 1770 C LYS A 115 109.888 -16.137 4.764 1.00 0.00 C ATOM 1771 O LYS A 115 111.068 -16.383 4.623 1.00 0.00 O ATOM 1772 CB LYS A 115 108.584 -14.837 3.090 1.00 0.00 C ATOM 1773 CG LYS A 115 107.762 -13.569 2.864 1.00 0.00 C ATOM 1774 CD LYS A 115 106.703 -13.840 1.787 1.00 0.00 C ATOM 1775 CE LYS A 115 107.382 -14.108 0.442 1.00 0.00 C ATOM 1776 NZ LYS A 115 106.353 -14.181 -0.632 1.00 0.00 N ATOM 0 H LYS A 115 111.353 -14.228 4.052 1.00 0.00 H new ATOM 0 HA LYS A 115 108.628 -14.406 5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 115 109.296 -14.967 2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.930 -15.709 3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.283 -13.262 3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.412 -12.750 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 115 106.093 -14.697 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 115 106.032 -12.985 1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 115 108.098 -13.316 0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.943 -15.042 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 106.809 -14.430 -1.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 105.648 -14.906 -0.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.883 -13.258 -0.726 1.00 0.00 H new ATOM 1790 N ASP A 116 109.063 -17.045 5.200 1.00 0.00 N ATOM 1791 CA ASP A 116 109.577 -18.406 5.530 1.00 0.00 C ATOM 1792 C ASP A 116 110.213 -19.020 4.277 1.00 0.00 C ATOM 1793 O ASP A 116 109.863 -18.677 3.165 1.00 0.00 O ATOM 1794 CB ASP A 116 108.422 -19.287 6.009 1.00 0.00 C ATOM 1795 CG ASP A 116 107.406 -19.458 4.878 1.00 0.00 C ATOM 1796 OD1 ASP A 116 107.588 -18.836 3.846 1.00 0.00 O ATOM 1797 OD2 ASP A 116 106.461 -20.207 5.067 1.00 0.00 O ATOM 0 H ASP A 116 108.062 -16.908 5.342 1.00 0.00 H new ATOM 0 HA ASP A 116 110.324 -18.336 6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 116 108.799 -20.260 6.323 1.00 0.00 H new ATOM 0 HB3 ASP A 116 107.942 -18.836 6.878 1.00 0.00 H new ATOM 1802 N ASN A 117 111.139 -19.927 4.446 1.00 0.00 N ATOM 1803 CA ASN A 117 111.789 -20.561 3.258 1.00 0.00 C ATOM 1804 C ASN A 117 112.131 -19.486 2.224 1.00 0.00 C ATOM 1805 O ASN A 117 111.672 -19.538 1.102 1.00 0.00 O ATOM 1806 CB ASN A 117 110.830 -21.577 2.631 1.00 0.00 C ATOM 1807 CG ASN A 117 111.602 -22.483 1.669 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.728 -22.855 1.937 1.00 0.00 O ATOM 1809 ND2 ASN A 117 111.043 -22.854 0.550 1.00 0.00 N ATOM 0 H ASN A 117 111.473 -20.256 5.352 1.00 0.00 H new ATOM 0 HA ASN A 117 112.702 -21.066 3.575 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.357 -22.175 3.410 1.00 0.00 H new ATOM 0 HB3 ASN A 117 110.032 -21.059 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.551 -23.455 -0.099 1.00 0.00 H new ATOM 0 HD22 ASN A 117 110.098 -22.543 0.324 1.00 0.00 H new ATOM 1816 N GLU A 118 112.941 -18.521 2.583 1.00 0.00 N ATOM 1817 CA GLU A 118 113.306 -17.449 1.606 1.00 0.00 C ATOM 1818 C GLU A 118 114.519 -16.661 2.115 1.00 0.00 C ATOM 1819 O GLU A 118 114.684 -16.455 3.301 1.00 0.00 O ATOM 1820 CB GLU A 118 112.127 -16.479 1.445 1.00 0.00 C ATOM 1821 CG GLU A 118 111.040 -17.098 0.557 1.00 0.00 C ATOM 1822 CD GLU A 118 110.193 -15.989 -0.059 1.00 0.00 C ATOM 1823 OE1 GLU A 118 110.449 -14.837 0.242 1.00 0.00 O ATOM 1824 OE2 GLU A 118 109.302 -16.315 -0.825 1.00 0.00 O ATOM 0 H GLU A 118 113.364 -18.429 3.507 1.00 0.00 H new ATOM 0 HA GLU A 118 113.546 -17.915 0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.712 -16.237 2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 118 112.475 -15.544 1.006 1.00 0.00 H new ATOM 0 HG2 GLU A 118 111.497 -17.700 -0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 118 110.411 -17.766 1.146 1.00 0.00 H new ATOM 1831 N LYS A 119 115.363 -16.207 1.222 1.00 0.00 N ATOM 1832 CA LYS A 119 116.558 -15.423 1.651 1.00 0.00 C ATOM 1833 C LYS A 119 116.097 -14.194 2.441 1.00 0.00 C ATOM 1834 O LYS A 119 115.091 -13.588 2.128 1.00 0.00 O ATOM 1835 CB LYS A 119 117.346 -14.970 0.416 1.00 0.00 C ATOM 1836 CG LYS A 119 117.973 -16.184 -0.274 1.00 0.00 C ATOM 1837 CD LYS A 119 118.769 -15.721 -1.497 1.00 0.00 C ATOM 1838 CE LYS A 119 119.421 -16.930 -2.171 1.00 0.00 C ATOM 1839 NZ LYS A 119 120.196 -16.476 -3.362 1.00 0.00 N ATOM 0 H LYS A 119 115.275 -16.346 0.215 1.00 0.00 H new ATOM 0 HA LYS A 119 117.197 -16.045 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.686 -14.448 -0.276 1.00 0.00 H new ATOM 0 HB3 LYS A 119 118.124 -14.265 0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.627 -16.713 0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 119 117.196 -16.885 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 119 118.111 -15.211 -2.200 1.00 0.00 H new ATOM 0 HD3 LYS A 119 119.532 -15.003 -1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 119 120.079 -17.441 -1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 119 118.658 -17.648 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 119.767 -16.867 -4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 120.183 -15.437 -3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 121.179 -16.807 -3.284 1.00 0.00 H new ATOM 1853 N LYS A 120 116.814 -13.826 3.472 1.00 0.00 N ATOM 1854 CA LYS A 120 116.399 -12.642 4.283 1.00 0.00 C ATOM 1855 C LYS A 120 117.011 -11.360 3.709 1.00 0.00 C ATOM 1856 O LYS A 120 118.153 -11.334 3.297 1.00 0.00 O ATOM 1857 CB LYS A 120 116.853 -12.831 5.734 1.00 0.00 C ATOM 1858 CG LYS A 120 118.381 -12.909 5.798 1.00 0.00 C ATOM 1859 CD LYS A 120 118.829 -13.046 7.256 1.00 0.00 C ATOM 1860 CE LYS A 120 118.595 -14.481 7.739 1.00 0.00 C ATOM 1861 NZ LYS A 120 119.325 -14.700 9.020 1.00 0.00 N ATOM 0 H LYS A 120 117.665 -14.292 3.786 1.00 0.00 H new ATOM 0 HA LYS A 120 115.313 -12.554 4.250 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.497 -12.002 6.346 1.00 0.00 H new ATOM 0 HB3 LYS A 120 116.417 -13.741 6.145 1.00 0.00 H new ATOM 0 HG2 LYS A 120 118.736 -13.760 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.820 -12.015 5.355 1.00 0.00 H new ATOM 0 HD2 LYS A 120 119.884 -12.790 7.347 1.00 0.00 H new ATOM 0 HD3 LYS A 120 118.276 -12.347 7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 120 117.529 -14.659 7.881 1.00 0.00 H new ATOM 0 HE3 LYS A 120 118.939 -15.190 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 119.166 -15.674 9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 120.343 -14.547 8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.976 -14.032 9.737 1.00 0.00 H new ATOM 1875 N LEU A 121 116.253 -10.291 3.689 1.00 0.00 N ATOM 1876 CA LEU A 121 116.778 -9.001 3.156 1.00 0.00 C ATOM 1877 C LEU A 121 116.984 -8.028 4.321 1.00 0.00 C ATOM 1878 O LEU A 121 116.056 -7.714 5.038 1.00 0.00 O ATOM 1879 CB LEU A 121 115.760 -8.407 2.174 1.00 0.00 C ATOM 1880 CG LEU A 121 115.514 -9.390 1.027 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.425 -8.837 0.104 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.806 -9.575 0.230 1.00 0.00 C ATOM 0 H LEU A 121 115.289 -10.259 4.021 1.00 0.00 H new ATOM 0 HA LEU A 121 117.725 -9.170 2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.824 -8.194 2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.130 -7.460 1.781 1.00 0.00 H new ATOM 0 HG LEU A 121 115.194 -10.349 1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.250 -9.537 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.503 -8.701 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 121 114.745 -7.878 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.632 -10.275 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.124 -8.615 -0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.584 -9.967 0.885 1.00 0.00 H new ATOM 1894 N VAL A 122 118.187 -7.554 4.527 1.00 0.00 N ATOM 1895 CA VAL A 122 118.436 -6.614 5.664 1.00 0.00 C ATOM 1896 C VAL A 122 118.709 -5.199 5.142 1.00 0.00 C ATOM 1897 O VAL A 122 119.532 -4.984 4.275 1.00 0.00 O ATOM 1898 CB VAL A 122 119.653 -7.097 6.461 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.089 -5.999 7.439 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.294 -8.370 7.244 1.00 0.00 C ATOM 0 H VAL A 122 119.005 -7.776 3.960 1.00 0.00 H new ATOM 0 HA VAL A 122 117.552 -6.592 6.301 1.00 0.00 H new ATOM 0 HB VAL A 122 120.469 -7.320 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.954 -6.340 8.007 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.352 -5.099 6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.271 -5.776 8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.163 -8.708 7.808 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.476 -8.156 7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.987 -9.151 6.548 1.00 0.00 H new ATOM 1910 N PHE A 123 118.026 -4.230 5.686 1.00 0.00 N ATOM 1911 CA PHE A 123 118.236 -2.816 5.262 1.00 0.00 C ATOM 1912 C PHE A 123 118.972 -2.099 6.394 1.00 0.00 C ATOM 1913 O PHE A 123 118.477 -2.031 7.496 1.00 0.00 O ATOM 1914 CB PHE A 123 116.870 -2.160 5.028 1.00 0.00 C ATOM 1915 CG PHE A 123 117.039 -0.681 4.787 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.652 -0.233 3.614 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.567 0.242 5.727 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.799 1.137 3.379 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.716 1.616 5.495 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.331 2.063 4.321 1.00 0.00 C ATOM 0 H PHE A 123 117.324 -4.359 6.414 1.00 0.00 H new ATOM 0 HA PHE A 123 118.817 -2.762 4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.378 -2.622 4.172 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.226 -2.324 5.892 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.013 -0.946 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 123 116.088 -0.104 6.631 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.273 1.482 2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.356 2.329 6.222 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.445 3.122 4.140 1.00 0.00 H new ATOM 1930 N THR A 124 120.160 -1.591 6.155 1.00 0.00 N ATOM 1931 CA THR A 124 120.910 -0.921 7.266 1.00 0.00 C ATOM 1932 C THR A 124 121.576 0.385 6.814 1.00 0.00 C ATOM 1933 O THR A 124 122.124 0.495 5.729 1.00 0.00 O ATOM 1934 CB THR A 124 121.982 -1.881 7.788 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.477 -1.401 9.028 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.128 -1.968 6.782 1.00 0.00 C ATOM 0 H THR A 124 120.636 -1.611 5.253 1.00 0.00 H new ATOM 0 HA THR A 124 120.195 -0.670 8.050 1.00 0.00 H new ATOM 0 HB THR A 124 121.547 -2.871 7.925 1.00 0.00 H new ATOM 0 HG1 THR A 124 121.838 -0.764 9.411 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.890 -2.652 7.156 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.748 -2.335 5.828 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.565 -0.979 6.642 1.00 0.00 H new ATOM 1944 N VAL A 125 121.562 1.366 7.681 1.00 0.00 N ATOM 1945 CA VAL A 125 122.214 2.668 7.373 1.00 0.00 C ATOM 1946 C VAL A 125 123.030 3.091 8.601 1.00 0.00 C ATOM 1947 O VAL A 125 122.779 2.632 9.706 1.00 0.00 O ATOM 1948 CB VAL A 125 121.152 3.726 7.056 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.114 3.137 6.100 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.461 4.160 8.347 1.00 0.00 C ATOM 0 H VAL A 125 121.120 1.316 8.599 1.00 0.00 H new ATOM 0 HA VAL A 125 122.864 2.569 6.504 1.00 0.00 H new ATOM 0 HB VAL A 125 121.629 4.588 6.591 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.359 3.890 5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.604 2.827 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.639 2.274 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.706 4.913 8.120 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.985 3.297 8.813 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.198 4.581 9.031 1.00 0.00 H new ATOM 1960 N GLU A 126 124.006 3.949 8.427 1.00 0.00 N ATOM 1961 CA GLU A 126 124.837 4.375 9.594 1.00 0.00 C ATOM 1962 C GLU A 126 124.982 5.899 9.614 1.00 0.00 C ATOM 1963 O GLU A 126 124.921 6.557 8.594 1.00 0.00 O ATOM 1964 CB GLU A 126 126.227 3.741 9.474 1.00 0.00 C ATOM 1965 CG GLU A 126 126.109 2.223 9.602 1.00 0.00 C ATOM 1966 CD GLU A 126 127.481 1.581 9.389 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.433 2.317 9.193 1.00 0.00 O ATOM 1968 OE2 GLU A 126 127.556 0.363 9.424 1.00 0.00 O ATOM 0 H GLU A 126 124.261 4.370 7.533 1.00 0.00 H new ATOM 0 HA GLU A 126 124.352 4.052 10.515 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.676 4.002 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.885 4.132 10.250 1.00 0.00 H new ATOM 0 HG2 GLU A 126 125.722 1.960 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 126 125.400 1.840 8.868 1.00 0.00 H new ATOM 1975 N ALA A 127 125.174 6.462 10.777 1.00 0.00 N ATOM 1976 CA ALA A 127 125.324 7.942 10.877 1.00 0.00 C ATOM 1977 C ALA A 127 125.960 8.297 12.223 1.00 0.00 C ATOM 1978 O ALA A 127 125.558 7.717 13.219 1.00 0.00 O ATOM 1979 CB ALA A 127 123.950 8.607 10.772 1.00 0.00 C ATOM 1980 OXT ALA A 127 126.839 9.145 12.236 1.00 0.00 O ATOM 0 H ALA A 127 125.233 5.960 11.663 1.00 0.00 H new ATOM 0 HA ALA A 127 125.960 8.298 10.066 1.00 0.00 H new ATOM 0 HB1 ALA A 127 124.063 9.689 10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 127 123.495 8.354 9.814 1.00 0.00 H new ATOM 0 HB3 ALA A 127 123.312 8.253 11.581 1.00 0.00 H new TER 1986 ALA A 127