USER MOD reduce.3.24.130724 H: found=0, std=0, add=928, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 752 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 74 GLN : amide:sc= -0.39 K(o=-0.6,f=-3.9!) USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.214 K(o=-0.6,f=-3.9!) USER MOD Set 2.1: A 98 LYS NZ :NH3+ -159:sc= 2.37 (180deg=1.11) USER MOD Set 2.2: A 100 THR OG1 : rot -130:sc= 0.945 USER MOD Set 3.1: A 30 MET CE :methyl 169:sc= 0 (180deg=0) USER MOD Set 3.2: A 41 LYS NZ :NH3+ 177:sc= 1.26 (180deg=0) USER MOD Set 3.3: A 44 ASN : amide:sc= 1.18 K(o=3.2,f=-8.5!) USER MOD Set 3.4: A 97 TYR OH : rot -116:sc= 0.719 USER MOD Set 4.1: A 59 SER OG : rot -56:sc= 0.925 USER MOD Set 4.2: A 115 SER OG : rot 149:sc= 1.15 USER MOD Set 5.1: A 34 LYS NZ :NH3+ 176:sc= 1.18 (180deg=0) USER MOD Set 5.2: A 37 GLN : amide:sc= 0.998 K(o=2.2,f=-5.7!) USER MOD Set 6.1: A 22 SER OG : rot 180:sc= 0.4 USER MOD Set 6.2: A 23 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 1 LYS N :NH3+ 135:sc= 0.104 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 164:sc=-0.00421 (180deg=-0.111) USER MOD Single : A 11 GLN : amide:sc= -0.0489 K(o=-0.049,f=-3.5) USER MOD Single : A 12 HIS : no HE2:sc= -4.11! C(o=-4.1!,f=-8.1!) USER MOD Single : A 13 MET CE :methyl -165:sc= -1.06 (180deg=-2.01!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.153 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.0075) USER MOD Single : A 18 SER OG : rot 180:sc= -0.12 USER MOD Single : A 20 SER OG : rot 180:sc= 0.447 USER MOD Single : A 21 SER OG : rot 180:sc= 0.202 USER MOD Single : A 24 ASN : amide:sc= 0.52 K(o=0.52,f=-4.3!) USER MOD Single : A 25 TYR OH : rot -170:sc= 0.883 USER MOD Single : A 27 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 29 MET CE :methyl 171:sc=-0.00669 (180deg=-0.0658) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 1.01 USER MOD Single : A 35 MET CE :methyl -170:sc= 0 (180deg=-0.126) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0961 USER MOD Single : A 39 LYS NZ :NH3+ 158:sc= -0.834 (180deg=-1.78!) USER MOD Single : A 45 THR OG1 : rot -47:sc= 1.27 USER MOD Single : A 48 HIS : no HD1:sc= -0.405 K(o=-0.4,f=-0.92) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= 0.761 (180deg=0.0971) USER MOD Single : A 60 GLN : amide:sc= 0.781 K(o=0.78,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 83:sc= 1.51 USER MOD Single : A 71 ASN : amide:sc=-0.00161 K(o=-0.0016,f=-0.96) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 89:sc= 1.7 USER MOD Single : A 76 LYS NZ :NH3+ -166:sc= 0.61 (180deg=-0.475!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.103 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0978 USER MOD Single : A 79 MET CE :methyl 179:sc=-0.00306 (180deg=-0.00329) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc=-0.00509 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -164:sc= 1.37 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 151:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 1:sc= 0.972 USER MOD Single : A 101 GLN : amide:sc= -0.853 K(o=-0.85,f=-4.1) USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0696) USER MOD Single : A 113 LYS NZ :NH3+ -115:sc= 1.19 (180deg=-0.244) USER MOD Single : A 119 HIS : no HD1:sc= -0.0367 X(o=-0.037,f=-0.0057) USER MOD Single : A 123 SER OG : rot -30:sc= 0.0336 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 6.577 11.353 17.726 1.00 0.00 N ATOM 2 CA LYS A 1 5.726 12.326 17.019 1.00 0.00 C ATOM 3 C LYS A 1 5.071 11.568 15.875 1.00 0.00 C ATOM 4 O LYS A 1 5.772 10.779 15.247 1.00 0.00 O ATOM 5 CB LYS A 1 6.552 13.486 16.436 1.00 0.00 C ATOM 6 CG LYS A 1 6.932 14.545 17.477 1.00 0.00 C ATOM 7 CD LYS A 1 7.760 15.650 16.808 1.00 0.00 C ATOM 8 CE LYS A 1 7.989 16.817 17.782 1.00 0.00 C ATOM 9 NZ LYS A 1 8.807 17.896 17.187 1.00 0.00 N ATOM 0 H1 LYS A 1 7.503 11.782 17.925 1.00 0.00 H new ATOM 0 H2 LYS A 1 6.122 11.080 18.621 1.00 0.00 H new ATOM 0 H3 LYS A 1 6.707 10.509 17.132 1.00 0.00 H new ATOM 0 HA LYS A 1 5.001 12.756 17.710 1.00 0.00 H new ATOM 0 HB2 LYS A 1 7.461 13.086 15.987 1.00 0.00 H new ATOM 0 HB3 LYS A 1 5.984 13.961 15.636 1.00 0.00 H new ATOM 0 HG2 LYS A 1 6.033 14.970 17.923 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.503 14.087 18.285 1.00 0.00 H new ATOM 0 HD2 LYS A 1 8.719 15.247 16.482 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.246 16.009 15.916 1.00 0.00 H new ATOM 0 HE2 LYS A 1 7.026 17.223 18.091 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.481 16.445 18.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 8.933 18.659 17.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.737 17.517 16.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.327 18.271 16.344 1.00 0.00 H new ATOM 18 N GLU A 2 3.778 11.784 15.617 1.00 0.00 N ATOM 19 CA GLU A 2 3.152 11.206 14.446 1.00 0.00 C ATOM 20 C GLU A 2 3.432 12.139 13.274 1.00 0.00 C ATOM 21 O GLU A 2 2.612 12.996 12.944 1.00 0.00 O ATOM 22 CB GLU A 2 1.649 10.964 14.670 1.00 0.00 C ATOM 23 CG GLU A 2 1.016 10.218 13.488 1.00 0.00 C ATOM 24 CD GLU A 2 1.771 8.971 13.116 1.00 0.00 C ATOM 25 OE1 GLU A 2 1.619 7.986 13.862 1.00 0.00 O ATOM 26 OE2 GLU A 2 2.480 9.025 12.089 1.00 0.00 O ATOM 0 H GLU A 2 3.160 12.348 16.200 1.00 0.00 H new ATOM 0 HA GLU A 2 3.568 10.221 14.233 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.505 10.388 15.584 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.143 11.919 14.812 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.012 9.954 13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.973 10.883 12.625 1.00 0.00 H new ATOM 31 N SER A 3 4.578 11.978 12.611 1.00 0.00 N ATOM 32 CA SER A 3 4.941 12.826 11.480 1.00 0.00 C ATOM 33 C SER A 3 4.181 12.421 10.210 1.00 0.00 C ATOM 34 O SER A 3 4.740 12.526 9.121 1.00 0.00 O ATOM 35 CB SER A 3 6.454 12.765 11.269 1.00 0.00 C ATOM 36 OG SER A 3 7.134 12.984 12.491 1.00 0.00 O ATOM 0 H SER A 3 5.271 11.266 12.840 1.00 0.00 H new ATOM 0 HA SER A 3 4.656 13.854 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.731 11.793 10.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.756 13.516 10.538 1.00 0.00 H new ATOM 0 HG SER A 3 8.101 12.940 12.340 1.00 0.00 H new ATOM 41 N ALA A 4 2.941 11.931 10.351 1.00 0.00 N ATOM 42 CA ALA A 4 2.079 11.328 9.342 1.00 0.00 C ATOM 43 C ALA A 4 2.657 10.063 8.700 1.00 0.00 C ATOM 44 O ALA A 4 1.966 9.049 8.627 1.00 0.00 O ATOM 45 CB ALA A 4 1.618 12.372 8.335 1.00 0.00 C ATOM 0 H ALA A 4 2.480 11.952 11.261 1.00 0.00 H new ATOM 0 HA ALA A 4 1.192 10.963 9.860 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.976 11.901 7.591 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.062 13.155 8.851 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.486 12.809 7.841 1.00 0.00 H new ATOM 51 N ALA A 5 3.904 10.117 8.229 1.00 0.00 N ATOM 52 CA ALA A 5 4.641 9.009 7.648 1.00 0.00 C ATOM 53 C ALA A 5 4.509 7.724 8.464 1.00 0.00 C ATOM 54 O ALA A 5 4.302 6.662 7.888 1.00 0.00 O ATOM 55 CB ALA A 5 6.112 9.401 7.493 1.00 0.00 C ATOM 0 H ALA A 5 4.448 10.980 8.246 1.00 0.00 H new ATOM 0 HA ALA A 5 4.209 8.800 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.666 8.570 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.190 10.271 6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.529 9.642 8.471 1.00 0.00 H new ATOM 61 N ALA A 6 4.648 7.797 9.791 1.00 0.00 N ATOM 62 CA ALA A 6 4.559 6.614 10.638 1.00 0.00 C ATOM 63 C ALA A 6 3.172 5.972 10.532 1.00 0.00 C ATOM 64 O ALA A 6 3.074 4.797 10.203 1.00 0.00 O ATOM 65 CB ALA A 6 4.966 6.936 12.078 1.00 0.00 C ATOM 0 H ALA A 6 4.822 8.665 10.298 1.00 0.00 H new ATOM 0 HA ALA A 6 5.272 5.871 10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 6 4.890 6.036 12.688 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.994 7.299 12.093 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.304 7.703 12.480 1.00 0.00 H new ATOM 71 N LYS A 7 2.098 6.719 10.771 1.00 0.00 N ATOM 72 CA LYS A 7 0.725 6.243 10.644 1.00 0.00 C ATOM 73 C LYS A 7 0.460 5.724 9.229 1.00 0.00 C ATOM 74 O LYS A 7 -0.078 4.632 9.049 1.00 0.00 O ATOM 75 CB LYS A 7 -0.222 7.376 11.071 1.00 0.00 C ATOM 76 CG LYS A 7 -1.680 7.269 10.607 1.00 0.00 C ATOM 77 CD LYS A 7 -1.899 7.913 9.224 1.00 0.00 C ATOM 78 CE LYS A 7 -3.268 8.598 9.098 1.00 0.00 C ATOM 79 NZ LYS A 7 -3.379 9.809 9.942 1.00 0.00 N ATOM 0 H LYS A 7 2.160 7.694 11.065 1.00 0.00 H new ATOM 0 HA LYS A 7 0.546 5.392 11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.215 7.433 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.185 8.317 10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.971 6.219 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.329 7.752 11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.113 8.645 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.808 7.148 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.440 8.869 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.050 7.892 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.192 10.377 9.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -3.515 9.529 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.509 10.372 9.857 1.00 0.00 H new ATOM 89 N PHE A 8 0.832 6.512 8.221 1.00 0.00 N ATOM 90 CA PHE A 8 0.759 6.122 6.819 1.00 0.00 C ATOM 91 C PHE A 8 1.431 4.757 6.612 1.00 0.00 C ATOM 92 O PHE A 8 0.886 3.874 5.944 1.00 0.00 O ATOM 93 CB PHE A 8 1.401 7.211 5.954 1.00 0.00 C ATOM 94 CG PHE A 8 1.972 6.681 4.659 1.00 0.00 C ATOM 95 CD1 PHE A 8 1.128 6.036 3.735 1.00 0.00 C ATOM 96 CD2 PHE A 8 3.360 6.482 4.584 1.00 0.00 C ATOM 97 CE1 PHE A 8 1.687 5.254 2.710 1.00 0.00 C ATOM 98 CE2 PHE A 8 3.915 5.783 3.511 1.00 0.00 C ATOM 99 CZ PHE A 8 3.080 5.246 2.525 1.00 0.00 C ATOM 0 H PHE A 8 1.198 7.454 8.361 1.00 0.00 H new ATOM 0 HA PHE A 8 -0.283 6.019 6.517 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.656 7.975 5.730 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.194 7.697 6.522 1.00 0.00 H new ATOM 0 HD1 PHE A 8 0.056 6.142 3.814 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.001 6.872 5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 8 1.050 4.663 2.069 1.00 0.00 H new ATOM 0 HE2 PHE A 8 4.985 5.657 3.442 1.00 0.00 H new ATOM 0 HZ PHE A 8 3.505 4.827 1.625 1.00 0.00 H new ATOM 108 N GLU A 9 2.628 4.577 7.169 1.00 0.00 N ATOM 109 CA GLU A 9 3.256 3.277 7.233 1.00 0.00 C ATOM 110 C GLU A 9 2.306 2.303 7.904 1.00 0.00 C ATOM 111 O GLU A 9 1.821 1.421 7.223 1.00 0.00 O ATOM 112 CB GLU A 9 4.654 3.288 7.856 1.00 0.00 C ATOM 113 CG GLU A 9 5.687 3.303 6.723 1.00 0.00 C ATOM 114 CD GLU A 9 7.100 3.160 7.250 1.00 0.00 C ATOM 115 OE1 GLU A 9 7.417 2.044 7.704 1.00 0.00 O ATOM 116 OE2 GLU A 9 7.831 4.173 7.205 1.00 0.00 O ATOM 0 H GLU A 9 3.179 5.329 7.583 1.00 0.00 H new ATOM 0 HA GLU A 9 3.443 2.942 6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.778 4.163 8.494 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.795 2.410 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.475 2.492 6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.600 4.234 6.164 1.00 0.00 H new ATOM 121 N ARG A 10 1.968 2.459 9.179 1.00 0.00 N ATOM 122 CA ARG A 10 1.179 1.450 9.875 1.00 0.00 C ATOM 123 C ARG A 10 -0.105 1.048 9.118 1.00 0.00 C ATOM 124 O ARG A 10 -0.556 -0.085 9.255 1.00 0.00 O ATOM 125 CB ARG A 10 0.842 1.910 11.301 1.00 0.00 C ATOM 126 CG ARG A 10 2.048 2.206 12.206 1.00 0.00 C ATOM 127 CD ARG A 10 2.965 0.994 12.408 1.00 0.00 C ATOM 128 NE ARG A 10 3.972 1.269 13.447 1.00 0.00 N ATOM 129 CZ ARG A 10 4.863 0.378 13.911 1.00 0.00 C ATOM 130 NH1 ARG A 10 4.911 -0.850 13.385 1.00 0.00 N ATOM 131 NH2 ARG A 10 5.697 0.718 14.901 1.00 0.00 N ATOM 0 H ARG A 10 2.225 3.266 9.747 1.00 0.00 H new ATOM 0 HA ARG A 10 1.802 0.557 9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.229 2.809 11.238 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.233 1.141 11.777 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.626 3.023 11.774 1.00 0.00 H new ATOM 0 HG3 ARG A 10 1.690 2.548 13.177 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.371 0.126 12.692 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.462 0.747 11.470 1.00 0.00 H new ATOM 0 HE ARG A 10 3.994 2.208 13.844 1.00 0.00 H new ATOM 0 HH11 ARG A 10 4.272 -1.108 12.633 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.587 -1.529 13.735 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.656 1.654 15.303 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.374 0.041 15.253 1.00 0.00 H new ATOM 142 N GLN A 11 -0.700 1.957 8.336 1.00 0.00 N ATOM 143 CA GLN A 11 -1.886 1.682 7.526 1.00 0.00 C ATOM 144 C GLN A 11 -1.608 0.908 6.222 1.00 0.00 C ATOM 145 O GLN A 11 -2.514 0.253 5.709 1.00 0.00 O ATOM 146 CB GLN A 11 -2.593 3.006 7.202 1.00 0.00 C ATOM 147 CG GLN A 11 -3.167 3.707 8.444 1.00 0.00 C ATOM 148 CD GLN A 11 -4.379 3.000 9.044 1.00 0.00 C ATOM 149 OE1 GLN A 11 -4.824 1.966 8.560 1.00 0.00 O ATOM 150 NE2 GLN A 11 -4.931 3.559 10.119 1.00 0.00 N ATOM 0 H GLN A 11 -0.364 2.916 8.249 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.519 1.028 8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.888 3.675 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.400 2.816 6.495 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.387 3.779 9.202 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.447 4.726 8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.542 4.420 10.503 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -5.743 3.126 10.559 1.00 0.00 H new ATOM 157 N HIS A 12 -0.413 1.034 5.630 1.00 0.00 N ATOM 158 CA HIS A 12 -0.114 0.507 4.289 1.00 0.00 C ATOM 159 C HIS A 12 1.078 -0.466 4.263 1.00 0.00 C ATOM 160 O HIS A 12 1.277 -1.174 3.287 1.00 0.00 O ATOM 161 CB HIS A 12 0.120 1.686 3.327 1.00 0.00 C ATOM 162 CG HIS A 12 1.574 1.961 3.061 1.00 0.00 C ATOM 163 ND1 HIS A 12 2.415 2.597 3.942 1.00 0.00 N ATOM 164 CD2 HIS A 12 2.328 1.413 2.060 1.00 0.00 C ATOM 165 CE1 HIS A 12 3.673 2.436 3.491 1.00 0.00 C ATOM 166 NE2 HIS A 12 3.644 1.721 2.347 1.00 0.00 N ATOM 0 H HIS A 12 0.378 1.506 6.068 1.00 0.00 H new ATOM 0 HA HIS A 12 -0.975 -0.079 3.968 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.382 1.479 2.382 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -0.341 2.582 3.743 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.137 3.100 4.785 1.00 0.00 H new ATOM 0 HD2 HIS A 12 1.966 0.850 1.212 1.00 0.00 H new ATOM 0 HE1 HIS A 12 4.563 2.818 3.968 1.00 0.00 H new ATOM 174 N MET A 13 1.935 -0.405 5.272 1.00 0.00 N ATOM 175 CA MET A 13 3.150 -1.173 5.480 1.00 0.00 C ATOM 176 C MET A 13 2.875 -2.192 6.583 1.00 0.00 C ATOM 177 O MET A 13 2.779 -1.822 7.753 1.00 0.00 O ATOM 178 CB MET A 13 4.281 -0.211 5.878 1.00 0.00 C ATOM 179 CG MET A 13 5.603 -0.871 6.280 1.00 0.00 C ATOM 180 SD MET A 13 6.450 -1.781 4.971 1.00 0.00 S ATOM 181 CE MET A 13 8.146 -1.586 5.557 1.00 0.00 C ATOM 0 H MET A 13 1.780 0.248 6.040 1.00 0.00 H new ATOM 0 HA MET A 13 3.453 -1.699 4.575 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.472 0.462 5.042 1.00 0.00 H new ATOM 0 HB3 MET A 13 3.935 0.403 6.709 1.00 0.00 H new ATOM 0 HG2 MET A 13 6.275 -0.099 6.654 1.00 0.00 H new ATOM 0 HG3 MET A 13 5.411 -1.554 7.107 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.839 -1.845 4.757 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.310 -0.552 5.859 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.314 -2.244 6.410 1.00 0.00 H new ATOM 189 N ASP A 14 2.766 -3.465 6.205 1.00 0.00 N ATOM 190 CA ASP A 14 2.653 -4.593 7.109 1.00 0.00 C ATOM 191 C ASP A 14 3.948 -5.389 6.992 1.00 0.00 C ATOM 192 O ASP A 14 4.226 -5.961 5.938 1.00 0.00 O ATOM 193 CB ASP A 14 1.449 -5.452 6.705 1.00 0.00 C ATOM 194 CG ASP A 14 1.383 -6.762 7.479 1.00 0.00 C ATOM 195 OD1 ASP A 14 2.013 -6.828 8.556 1.00 0.00 O ATOM 196 OD2 ASP A 14 0.709 -7.680 6.965 1.00 0.00 O ATOM 0 H ASP A 14 2.754 -3.742 5.223 1.00 0.00 H new ATOM 0 HA ASP A 14 2.501 -4.268 8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.531 -4.888 6.872 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.501 -5.666 5.638 1.00 0.00 H new ATOM 200 N SER A 15 4.766 -5.438 8.043 1.00 0.00 N ATOM 201 CA SER A 15 6.000 -6.204 8.064 1.00 0.00 C ATOM 202 C SER A 15 5.705 -7.710 8.209 1.00 0.00 C ATOM 203 O SER A 15 6.245 -8.378 9.088 1.00 0.00 O ATOM 204 CB SER A 15 6.892 -5.627 9.174 1.00 0.00 C ATOM 205 OG SER A 15 6.094 -5.141 10.242 1.00 0.00 O ATOM 0 H SER A 15 4.583 -4.938 8.913 1.00 0.00 H new ATOM 0 HA SER A 15 6.541 -6.117 7.122 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.573 -6.396 9.540 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.507 -4.821 8.774 1.00 0.00 H new ATOM 0 HG SER A 15 6.673 -4.777 10.944 1.00 0.00 H new ATOM 210 N GLY A 16 4.883 -8.255 7.305 1.00 0.00 N ATOM 211 CA GLY A 16 4.406 -9.626 7.334 1.00 0.00 C ATOM 212 C GLY A 16 5.564 -10.621 7.313 1.00 0.00 C ATOM 213 O GLY A 16 6.344 -10.648 6.361 1.00 0.00 O ATOM 0 H GLY A 16 4.524 -7.728 6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.805 -9.784 8.229 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.756 -9.804 6.478 1.00 0.00 H new ATOM 216 N ASN A 17 5.681 -11.428 8.369 1.00 0.00 N ATOM 217 CA ASN A 17 6.753 -12.401 8.529 1.00 0.00 C ATOM 218 C ASN A 17 6.437 -13.703 7.791 1.00 0.00 C ATOM 219 O ASN A 17 7.224 -14.160 6.966 1.00 0.00 O ATOM 220 CB ASN A 17 6.976 -12.669 10.022 1.00 0.00 C ATOM 221 CG ASN A 17 7.958 -13.817 10.236 1.00 0.00 C ATOM 222 OD1 ASN A 17 7.550 -14.949 10.467 1.00 0.00 O ATOM 223 ND2 ASN A 17 9.256 -13.540 10.157 1.00 0.00 N ATOM 0 H ASN A 17 5.021 -11.421 9.147 1.00 0.00 H new ATOM 0 HA ASN A 17 7.664 -11.992 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.356 -11.768 10.503 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.025 -12.907 10.497 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.945 -14.281 10.290 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.563 -12.587 9.963 1.00 0.00 H new ATOM 229 N SER A 18 5.305 -14.326 8.131 1.00 0.00 N ATOM 230 CA SER A 18 4.993 -15.677 7.682 1.00 0.00 C ATOM 231 C SER A 18 4.754 -15.699 6.164 1.00 0.00 C ATOM 232 O SER A 18 4.168 -14.754 5.629 1.00 0.00 O ATOM 233 CB SER A 18 3.780 -16.203 8.464 1.00 0.00 C ATOM 234 OG SER A 18 3.628 -17.595 8.278 1.00 0.00 O ATOM 0 H SER A 18 4.586 -13.908 8.721 1.00 0.00 H new ATOM 0 HA SER A 18 5.838 -16.336 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.903 -15.985 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.878 -15.687 8.135 1.00 0.00 H new ATOM 0 HG SER A 18 2.851 -17.910 8.786 1.00 0.00 H new ATOM 239 N PRO A 19 5.200 -16.745 5.449 1.00 0.00 N ATOM 240 CA PRO A 19 4.953 -16.874 4.023 1.00 0.00 C ATOM 241 C PRO A 19 3.468 -17.134 3.740 1.00 0.00 C ATOM 242 O PRO A 19 2.662 -17.283 4.658 1.00 0.00 O ATOM 243 CB PRO A 19 5.841 -18.037 3.564 1.00 0.00 C ATOM 244 CG PRO A 19 5.930 -18.914 4.812 1.00 0.00 C ATOM 245 CD PRO A 19 5.953 -17.888 5.944 1.00 0.00 C ATOM 0 HA PRO A 19 5.192 -15.959 3.480 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.401 -18.574 2.724 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.824 -17.692 3.242 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.078 -19.588 4.894 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.827 -19.533 4.809 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.501 -18.293 6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.975 -17.605 6.196 1.00 0.00 H new ATOM 250 N SER A 20 3.134 -17.176 2.446 1.00 0.00 N ATOM 251 CA SER A 20 1.796 -17.377 1.902 1.00 0.00 C ATOM 252 C SER A 20 0.703 -16.672 2.713 1.00 0.00 C ATOM 253 O SER A 20 0.559 -15.452 2.621 1.00 0.00 O ATOM 254 CB SER A 20 1.522 -18.871 1.654 1.00 0.00 C ATOM 255 OG SER A 20 1.520 -19.615 2.859 1.00 0.00 O ATOM 0 H SER A 20 3.834 -17.064 1.712 1.00 0.00 H new ATOM 0 HA SER A 20 1.761 -16.887 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.560 -18.986 1.155 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.280 -19.272 0.981 1.00 0.00 H new ATOM 0 HG SER A 20 1.341 -20.558 2.661 1.00 0.00 H new ATOM 260 N SER A 21 -0.075 -17.444 3.478 1.00 0.00 N ATOM 261 CA SER A 21 -1.308 -16.995 4.110 1.00 0.00 C ATOM 262 C SER A 21 -2.238 -16.404 3.041 1.00 0.00 C ATOM 263 O SER A 21 -2.051 -16.652 1.848 1.00 0.00 O ATOM 264 CB SER A 21 -0.978 -16.005 5.239 1.00 0.00 C ATOM 265 OG SER A 21 -2.132 -15.692 6.000 1.00 0.00 O ATOM 0 H SER A 21 0.145 -18.420 3.676 1.00 0.00 H new ATOM 0 HA SER A 21 -1.836 -17.831 4.569 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.215 -16.433 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.560 -15.092 4.815 1.00 0.00 H new ATOM 0 HG SER A 21 -1.893 -15.062 6.712 1.00 0.00 H new ATOM 270 N SER A 22 -3.230 -15.615 3.458 1.00 0.00 N ATOM 271 CA SER A 22 -4.036 -14.812 2.550 1.00 0.00 C ATOM 272 C SER A 22 -4.917 -13.824 3.323 1.00 0.00 C ATOM 273 O SER A 22 -4.421 -12.824 3.846 1.00 0.00 O ATOM 274 CB SER A 22 -4.844 -15.685 1.565 1.00 0.00 C ATOM 275 OG SER A 22 -5.709 -16.560 2.264 1.00 0.00 O ATOM 0 H SER A 22 -3.494 -15.518 4.438 1.00 0.00 H new ATOM 0 HA SER A 22 -3.355 -14.221 1.937 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.425 -15.047 0.899 1.00 0.00 H new ATOM 0 HB3 SER A 22 -4.163 -16.262 0.940 1.00 0.00 H new ATOM 0 HG SER A 22 -6.213 -17.103 1.623 1.00 0.00 H new ATOM 280 N SER A 23 -6.227 -14.083 3.346 1.00 0.00 N ATOM 281 CA SER A 23 -7.274 -13.205 3.855 1.00 0.00 C ATOM 282 C SER A 23 -7.004 -12.785 5.299 1.00 0.00 C ATOM 283 O SER A 23 -7.433 -11.709 5.726 1.00 0.00 O ATOM 284 CB SER A 23 -8.617 -13.933 3.730 1.00 0.00 C ATOM 285 OG SER A 23 -8.431 -15.301 4.043 1.00 0.00 O ATOM 0 H SER A 23 -6.602 -14.962 2.989 1.00 0.00 H new ATOM 0 HA SER A 23 -7.295 -12.288 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.350 -13.489 4.404 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.009 -13.828 2.718 1.00 0.00 H new ATOM 0 HG SER A 23 -9.286 -15.773 3.967 1.00 0.00 H new ATOM 290 N ASN A 24 -6.287 -13.632 6.040 1.00 0.00 N ATOM 291 CA ASN A 24 -5.821 -13.360 7.386 1.00 0.00 C ATOM 292 C ASN A 24 -5.278 -11.945 7.493 1.00 0.00 C ATOM 293 O ASN A 24 -5.846 -11.133 8.216 1.00 0.00 O ATOM 294 CB ASN A 24 -4.752 -14.370 7.828 1.00 0.00 C ATOM 295 CG ASN A 24 -5.183 -15.825 7.678 1.00 0.00 C ATOM 296 OD1 ASN A 24 -5.583 -16.242 6.595 1.00 0.00 O ATOM 297 ND2 ASN A 24 -5.094 -16.611 8.746 1.00 0.00 N ATOM 0 H ASN A 24 -6.010 -14.554 5.702 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.677 -13.461 8.053 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.847 -14.207 7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.496 -14.182 8.871 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.362 -17.593 8.680 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.757 -16.232 9.631 1.00 0.00 H new ATOM 303 N TYR A 25 -4.201 -11.638 6.766 1.00 0.00 N ATOM 304 CA TYR A 25 -3.551 -10.342 6.882 1.00 0.00 C ATOM 305 C TYR A 25 -4.546 -9.225 6.596 1.00 0.00 C ATOM 306 O TYR A 25 -4.620 -8.258 7.355 1.00 0.00 O ATOM 307 CB TYR A 25 -2.348 -10.253 5.932 1.00 0.00 C ATOM 308 CG TYR A 25 -1.223 -11.242 6.188 1.00 0.00 C ATOM 309 CD1 TYR A 25 -0.756 -11.459 7.499 1.00 0.00 C ATOM 310 CD2 TYR A 25 -0.536 -11.823 5.104 1.00 0.00 C ATOM 311 CE1 TYR A 25 0.339 -12.305 7.727 1.00 0.00 C ATOM 312 CE2 TYR A 25 0.606 -12.613 5.330 1.00 0.00 C ATOM 313 CZ TYR A 25 1.041 -12.855 6.646 1.00 0.00 C ATOM 314 OH TYR A 25 2.135 -13.622 6.905 1.00 0.00 O ATOM 0 H TYR A 25 -3.766 -12.271 6.094 1.00 0.00 H new ATOM 0 HA TYR A 25 -3.186 -10.227 7.903 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.705 -10.395 4.912 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.939 -9.244 5.989 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.243 -10.972 8.331 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -0.887 -11.661 4.096 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.642 -12.533 8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.148 -13.033 4.495 1.00 0.00 H new ATOM 0 HH TYR A 25 2.612 -13.805 6.069 1.00 0.00 H new ATOM 323 N CYS A 26 -5.327 -9.393 5.524 1.00 0.00 N ATOM 324 CA CYS A 26 -6.267 -8.380 5.052 1.00 0.00 C ATOM 325 C CYS A 26 -7.143 -7.947 6.220 1.00 0.00 C ATOM 326 O CYS A 26 -7.192 -6.772 6.582 1.00 0.00 O ATOM 327 CB CYS A 26 -7.162 -8.921 3.930 1.00 0.00 C ATOM 328 SG CYS A 26 -6.689 -8.596 2.216 1.00 0.00 S ATOM 0 H CYS A 26 -5.322 -10.242 4.958 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.698 -7.539 4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.233 -10.001 4.055 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -8.163 -8.516 4.080 1.00 0.00 H new ATOM 332 N ASN A 27 -7.832 -8.926 6.804 1.00 0.00 N ATOM 333 CA ASN A 27 -8.778 -8.687 7.881 1.00 0.00 C ATOM 334 C ASN A 27 -8.034 -8.209 9.130 1.00 0.00 C ATOM 335 O ASN A 27 -8.411 -7.208 9.737 1.00 0.00 O ATOM 336 CB ASN A 27 -9.581 -9.961 8.170 1.00 0.00 C ATOM 337 CG ASN A 27 -10.574 -10.263 7.052 1.00 0.00 C ATOM 338 OD1 ASN A 27 -11.735 -9.876 7.129 1.00 0.00 O ATOM 339 ND2 ASN A 27 -10.138 -10.946 5.996 1.00 0.00 N ATOM 0 H ASN A 27 -7.746 -9.907 6.540 1.00 0.00 H new ATOM 0 HA ASN A 27 -9.478 -7.908 7.580 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.899 -10.803 8.289 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.116 -9.849 9.113 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.774 -11.158 5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.167 -11.257 5.955 1.00 0.00 H new ATOM 345 N LEU A 28 -6.986 -8.941 9.520 1.00 0.00 N ATOM 346 CA LEU A 28 -6.238 -8.726 10.751 1.00 0.00 C ATOM 347 C LEU A 28 -5.738 -7.286 10.821 1.00 0.00 C ATOM 348 O LEU A 28 -6.061 -6.566 11.762 1.00 0.00 O ATOM 349 CB LEU A 28 -5.076 -9.736 10.842 1.00 0.00 C ATOM 350 CG LEU A 28 -4.433 -9.948 12.225 1.00 0.00 C ATOM 351 CD1 LEU A 28 -3.822 -8.685 12.837 1.00 0.00 C ATOM 352 CD2 LEU A 28 -5.406 -10.598 13.217 1.00 0.00 C ATOM 0 H LEU A 28 -6.629 -9.721 8.968 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.894 -8.889 11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.439 -10.701 10.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.295 -9.415 10.152 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.605 -10.632 12.037 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.391 -8.924 13.810 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.042 -8.302 12.179 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.597 -7.928 12.959 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.911 -10.729 14.179 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.279 -9.958 13.342 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.720 -11.570 12.835 1.00 0.00 H new ATOM 363 N MET A 29 -4.949 -6.851 9.837 1.00 0.00 N ATOM 364 CA MET A 29 -4.355 -5.522 9.887 1.00 0.00 C ATOM 365 C MET A 29 -5.454 -4.460 9.845 1.00 0.00 C ATOM 366 O MET A 29 -5.410 -3.499 10.614 1.00 0.00 O ATOM 367 CB MET A 29 -3.365 -5.337 8.739 1.00 0.00 C ATOM 368 CG MET A 29 -2.479 -4.091 8.903 1.00 0.00 C ATOM 369 SD MET A 29 -2.314 -3.020 7.447 1.00 0.00 S ATOM 370 CE MET A 29 -4.009 -2.413 7.277 1.00 0.00 C ATOM 0 H MET A 29 -4.711 -7.395 9.007 1.00 0.00 H new ATOM 0 HA MET A 29 -3.805 -5.411 10.822 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.730 -6.220 8.668 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.915 -5.264 7.801 1.00 0.00 H new ATOM 0 HG2 MET A 29 -2.878 -3.494 9.723 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.483 -4.417 9.202 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.039 -1.622 6.528 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.659 -3.231 6.967 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.352 -2.019 8.234 1.00 0.00 H new ATOM 378 N MET A 30 -6.442 -4.624 8.960 1.00 0.00 N ATOM 379 CA MET A 30 -7.542 -3.675 8.853 1.00 0.00 C ATOM 380 C MET A 30 -8.249 -3.510 10.197 1.00 0.00 C ATOM 381 O MET A 30 -8.534 -2.385 10.607 1.00 0.00 O ATOM 382 CB MET A 30 -8.519 -4.114 7.758 1.00 0.00 C ATOM 383 CG MET A 30 -7.925 -3.803 6.382 1.00 0.00 C ATOM 384 SD MET A 30 -8.002 -2.048 5.943 1.00 0.00 S ATOM 385 CE MET A 30 -7.165 -2.077 4.347 1.00 0.00 C ATOM 0 H MET A 30 -6.498 -5.407 8.309 1.00 0.00 H new ATOM 0 HA MET A 30 -7.137 -2.702 8.574 1.00 0.00 H new ATOM 0 HB2 MET A 30 -8.722 -5.182 7.845 1.00 0.00 H new ATOM 0 HB3 MET A 30 -9.471 -3.598 7.879 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.885 -4.129 6.362 1.00 0.00 H new ATOM 0 HG3 MET A 30 -8.456 -4.382 5.626 1.00 0.00 H new ATOM 0 HE1 MET A 30 -7.297 -1.116 3.850 1.00 0.00 H new ATOM 0 HE2 MET A 30 -6.102 -2.265 4.497 1.00 0.00 H new ATOM 0 HE3 MET A 30 -7.589 -2.867 3.728 1.00 0.00 H new ATOM 393 N CYS A 31 -8.504 -4.625 10.887 1.00 0.00 N ATOM 394 CA CYS A 31 -9.072 -4.639 12.229 1.00 0.00 C ATOM 395 C CYS A 31 -8.135 -3.968 13.237 1.00 0.00 C ATOM 396 O CYS A 31 -8.561 -3.112 14.007 1.00 0.00 O ATOM 397 CB CYS A 31 -9.371 -6.079 12.652 1.00 0.00 C ATOM 398 SG CYS A 31 -10.029 -6.042 14.335 1.00 0.00 S ATOM 0 H CYS A 31 -8.317 -5.557 10.518 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.002 -4.070 12.213 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.091 -6.534 11.972 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.465 -6.684 12.610 1.00 0.00 H new ATOM 0 HG CYS A 31 -10.296 -7.254 14.723 1.00 0.00 H new ATOM 403 N CYS A 32 -6.848 -4.323 13.213 1.00 0.00 N ATOM 404 CA CYS A 32 -5.839 -3.812 14.137 1.00 0.00 C ATOM 405 C CYS A 32 -5.678 -2.297 14.030 1.00 0.00 C ATOM 406 O CYS A 32 -5.471 -1.616 15.034 1.00 0.00 O ATOM 407 CB CYS A 32 -4.490 -4.477 13.860 1.00 0.00 C ATOM 408 SG CYS A 32 -3.294 -3.841 15.056 1.00 0.00 S ATOM 0 H CYS A 32 -6.473 -4.987 12.536 1.00 0.00 H new ATOM 0 HA CYS A 32 -6.178 -4.049 15.146 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.575 -5.560 13.946 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.162 -4.263 12.843 1.00 0.00 H new ATOM 0 HG CYS A 32 -2.135 -4.392 14.846 1.00 0.00 H new ATOM 413 N ARG A 33 -5.697 -1.766 12.806 1.00 0.00 N ATOM 414 CA ARG A 33 -5.722 -0.328 12.550 1.00 0.00 C ATOM 415 C ARG A 33 -7.139 0.232 12.694 1.00 0.00 C ATOM 416 O ARG A 33 -7.316 1.439 12.841 1.00 0.00 O ATOM 417 CB ARG A 33 -5.153 -0.041 11.156 1.00 0.00 C ATOM 418 CG ARG A 33 -3.725 -0.561 10.916 1.00 0.00 C ATOM 419 CD ARG A 33 -2.687 -0.021 11.908 1.00 0.00 C ATOM 420 NE ARG A 33 -2.797 -0.690 13.215 1.00 0.00 N ATOM 421 CZ ARG A 33 -2.490 -0.159 14.408 1.00 0.00 C ATOM 422 NH1 ARG A 33 -1.836 1.006 14.479 1.00 0.00 N ATOM 423 NH2 ARG A 33 -2.854 -0.798 15.519 1.00 0.00 N ATOM 0 H ARG A 33 -5.695 -2.330 11.956 1.00 0.00 H new ATOM 0 HA ARG A 33 -5.099 0.172 13.292 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.815 -0.484 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.164 1.036 10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.732 -1.650 10.971 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.418 -0.295 9.905 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.685 -0.168 11.505 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.825 1.053 12.034 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.140 -1.651 13.213 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.569 1.494 13.624 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.605 1.406 15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.360 -1.681 15.457 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.626 -0.404 16.432 1.00 0.00 H new ATOM 434 N LYS A 34 -8.134 -0.651 12.644 1.00 0.00 N ATOM 435 CA LYS A 34 -9.551 -0.387 12.775 1.00 0.00 C ATOM 436 C LYS A 34 -10.018 0.621 11.729 1.00 0.00 C ATOM 437 O LYS A 34 -10.743 1.569 12.023 1.00 0.00 O ATOM 438 CB LYS A 34 -9.925 -0.062 14.230 1.00 0.00 C ATOM 439 CG LYS A 34 -11.170 -0.845 14.669 1.00 0.00 C ATOM 440 CD LYS A 34 -12.374 -0.549 13.760 1.00 0.00 C ATOM 441 CE LYS A 34 -13.633 -1.324 14.174 1.00 0.00 C ATOM 442 NZ LYS A 34 -14.280 -0.744 15.366 1.00 0.00 N ATOM 0 H LYS A 34 -7.948 -1.643 12.500 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.115 -1.292 12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.089 -0.304 14.886 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.110 1.007 14.331 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.954 -1.913 14.651 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.418 -0.587 15.699 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.587 0.520 13.782 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.118 -0.802 12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.342 -1.331 13.346 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.368 -2.362 14.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.161 -1.258 15.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.639 -0.822 16.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.496 0.258 15.191 1.00 0.00 H new ATOM 452 N MET A 35 -9.641 0.359 10.476 1.00 0.00 N ATOM 453 CA MET A 35 -10.093 1.155 9.345 1.00 0.00 C ATOM 454 C MET A 35 -11.559 0.868 9.029 1.00 0.00 C ATOM 455 O MET A 35 -12.288 1.753 8.585 1.00 0.00 O ATOM 456 CB MET A 35 -9.205 0.873 8.127 1.00 0.00 C ATOM 457 CG MET A 35 -7.840 1.562 8.262 1.00 0.00 C ATOM 458 SD MET A 35 -7.848 3.378 8.234 1.00 0.00 S ATOM 459 CE MET A 35 -8.410 3.701 6.548 1.00 0.00 C ATOM 0 H MET A 35 -9.017 -0.407 10.223 1.00 0.00 H new ATOM 0 HA MET A 35 -10.012 2.211 9.602 1.00 0.00 H new ATOM 0 HB2 MET A 35 -9.063 -0.202 8.019 1.00 0.00 H new ATOM 0 HB3 MET A 35 -9.703 1.222 7.222 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.384 1.236 9.197 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.198 1.210 7.454 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.296 4.761 6.323 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.814 3.116 5.848 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.459 3.421 6.454 1.00 0.00 H new ATOM 467 N THR A 36 -11.999 -0.370 9.253 1.00 0.00 N ATOM 468 CA THR A 36 -13.315 -0.869 8.902 1.00 0.00 C ATOM 469 C THR A 36 -14.364 -0.395 9.921 1.00 0.00 C ATOM 470 O THR A 36 -15.019 -1.196 10.584 1.00 0.00 O ATOM 471 CB THR A 36 -13.198 -2.396 8.793 1.00 0.00 C ATOM 472 OG1 THR A 36 -12.386 -2.870 9.855 1.00 0.00 O ATOM 473 CG2 THR A 36 -12.505 -2.778 7.481 1.00 0.00 C ATOM 0 H THR A 36 -11.418 -1.077 9.703 1.00 0.00 H new ATOM 0 HA THR A 36 -13.660 -0.476 7.946 1.00 0.00 H new ATOM 0 HB THR A 36 -14.198 -2.829 8.832 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.306 -3.845 9.796 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.427 -3.863 7.413 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.087 -2.403 6.639 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.507 -2.340 7.456 1.00 0.00 H new ATOM 481 N GLN A 37 -14.500 0.927 10.054 1.00 0.00 N ATOM 482 CA GLN A 37 -15.484 1.588 10.904 1.00 0.00 C ATOM 483 C GLN A 37 -16.828 1.678 10.172 1.00 0.00 C ATOM 484 O GLN A 37 -17.622 0.747 10.241 1.00 0.00 O ATOM 485 CB GLN A 37 -14.946 2.965 11.329 1.00 0.00 C ATOM 486 CG GLN A 37 -13.830 2.850 12.373 1.00 0.00 C ATOM 487 CD GLN A 37 -14.379 2.736 13.794 1.00 0.00 C ATOM 488 OE1 GLN A 37 -14.729 1.652 14.256 1.00 0.00 O ATOM 489 NE2 GLN A 37 -14.451 3.847 14.516 1.00 0.00 N ATOM 0 H GLN A 37 -13.905 1.587 9.553 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.655 1.009 11.811 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.569 3.493 10.453 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -15.762 3.563 11.735 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.216 1.977 12.151 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.180 3.722 12.305 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.155 4.737 14.114 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.802 3.811 15.473 1.00 0.00 H new ATOM 496 N GLY A 38 -17.092 2.797 9.480 1.00 0.00 N ATOM 497 CA GLY A 38 -18.371 3.073 8.823 1.00 0.00 C ATOM 498 C GLY A 38 -18.314 2.865 7.307 1.00 0.00 C ATOM 499 O GLY A 38 -19.137 3.401 6.563 1.00 0.00 O ATOM 0 H GLY A 38 -16.409 3.545 9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.139 2.425 9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.669 4.100 9.034 1.00 0.00 H new ATOM 502 N LYS A 39 -17.291 2.149 6.840 1.00 0.00 N ATOM 503 CA LYS A 39 -17.124 1.640 5.490 1.00 0.00 C ATOM 504 C LYS A 39 -15.904 0.721 5.534 1.00 0.00 C ATOM 505 O LYS A 39 -15.250 0.642 6.572 1.00 0.00 O ATOM 506 CB LYS A 39 -17.004 2.755 4.433 1.00 0.00 C ATOM 507 CG LYS A 39 -15.962 3.857 4.719 1.00 0.00 C ATOM 508 CD LYS A 39 -16.461 5.128 5.437 1.00 0.00 C ATOM 509 CE LYS A 39 -17.270 6.110 4.572 1.00 0.00 C ATOM 510 NZ LYS A 39 -18.564 5.558 4.121 1.00 0.00 N ATOM 0 H LYS A 39 -16.507 1.895 7.441 1.00 0.00 H new ATOM 0 HA LYS A 39 -18.010 1.090 5.173 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.761 2.294 3.475 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.980 3.227 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.164 3.420 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.518 4.157 3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.077 4.826 6.284 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.598 5.656 5.843 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.450 7.022 5.141 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.678 6.389 3.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.209 6.338 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.414 4.961 3.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.982 4.986 4.883 1.00 0.00 H new ATOM 520 N CYS A 40 -15.602 0.046 4.426 1.00 0.00 N ATOM 521 CA CYS A 40 -14.431 -0.801 4.264 1.00 0.00 C ATOM 522 C CYS A 40 -13.728 -0.374 2.979 1.00 0.00 C ATOM 523 O CYS A 40 -14.391 0.120 2.067 1.00 0.00 O ATOM 524 CB CYS A 40 -14.880 -2.257 4.166 1.00 0.00 C ATOM 525 SG CYS A 40 -13.525 -3.379 3.788 1.00 0.00 S ATOM 0 H CYS A 40 -16.188 0.078 3.591 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.751 -0.704 5.110 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -15.341 -2.555 5.108 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -15.645 -2.346 3.395 1.00 0.00 H new ATOM 529 N LYS A 41 -12.400 -0.508 2.905 1.00 0.00 N ATOM 530 CA LYS A 41 -11.659 -0.134 1.712 1.00 0.00 C ATOM 531 C LYS A 41 -11.798 -1.262 0.680 1.00 0.00 C ATOM 532 O LYS A 41 -11.458 -2.398 0.993 1.00 0.00 O ATOM 533 CB LYS A 41 -10.193 0.161 2.070 1.00 0.00 C ATOM 534 CG LYS A 41 -9.653 1.354 1.268 1.00 0.00 C ATOM 535 CD LYS A 41 -8.211 1.651 1.693 1.00 0.00 C ATOM 536 CE LYS A 41 -7.529 2.628 0.727 1.00 0.00 C ATOM 537 NZ LYS A 41 -6.091 2.772 1.031 1.00 0.00 N ATOM 0 H LYS A 41 -11.822 -0.874 3.662 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.062 0.780 1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.112 0.370 3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.583 -0.720 1.871 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.690 1.134 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.279 2.230 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.206 2.070 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.644 0.721 1.732 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.652 2.275 -0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.015 3.602 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -5.649 3.399 0.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.976 3.180 1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.634 1.838 0.997 1.00 0.00 H new ATOM 547 N PRO A 42 -12.279 -0.988 -0.542 1.00 0.00 N ATOM 548 CA PRO A 42 -12.383 -2.003 -1.581 1.00 0.00 C ATOM 549 C PRO A 42 -10.991 -2.449 -2.034 1.00 0.00 C ATOM 550 O PRO A 42 -10.803 -3.614 -2.367 1.00 0.00 O ATOM 551 CB PRO A 42 -13.180 -1.339 -2.708 1.00 0.00 C ATOM 552 CG PRO A 42 -12.870 0.149 -2.548 1.00 0.00 C ATOM 553 CD PRO A 42 -12.695 0.313 -1.037 1.00 0.00 C ATOM 0 HA PRO A 42 -12.881 -2.910 -1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.873 -1.708 -3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.248 -1.537 -2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.968 0.432 -3.090 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.680 0.772 -2.929 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -11.949 1.074 -0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.626 0.630 -0.568 1.00 0.00 H new ATOM 558 N VAL A 43 -10.017 -1.532 -2.054 1.00 0.00 N ATOM 559 CA VAL A 43 -8.658 -1.801 -2.503 1.00 0.00 C ATOM 560 C VAL A 43 -7.675 -1.281 -1.453 1.00 0.00 C ATOM 561 O VAL A 43 -7.853 -0.174 -0.943 1.00 0.00 O ATOM 562 CB VAL A 43 -8.422 -1.153 -3.885 1.00 0.00 C ATOM 563 CG1 VAL A 43 -9.441 -1.653 -4.917 1.00 0.00 C ATOM 564 CG2 VAL A 43 -8.472 0.382 -3.869 1.00 0.00 C ATOM 0 H VAL A 43 -10.160 -0.568 -1.752 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.502 -2.874 -2.617 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.412 -1.455 -4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.248 -1.178 -5.879 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.352 -2.734 -5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.448 -1.402 -4.585 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.297 0.762 -4.875 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.452 0.711 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.703 0.764 -3.198 1.00 0.00 H new ATOM 574 N ASN A 44 -6.638 -2.050 -1.117 1.00 0.00 N ATOM 575 CA ASN A 44 -5.525 -1.567 -0.313 1.00 0.00 C ATOM 576 C ASN A 44 -4.298 -2.410 -0.626 1.00 0.00 C ATOM 577 O ASN A 44 -4.450 -3.582 -0.949 1.00 0.00 O ATOM 578 CB ASN A 44 -5.861 -1.640 1.182 1.00 0.00 C ATOM 579 CG ASN A 44 -4.922 -0.741 1.985 1.00 0.00 C ATOM 580 OD1 ASN A 44 -4.941 0.476 1.799 1.00 0.00 O ATOM 581 ND2 ASN A 44 -4.109 -1.297 2.878 1.00 0.00 N ATOM 0 H ASN A 44 -6.550 -3.027 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 44 -5.327 -0.523 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.894 -1.334 1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -5.775 -2.669 1.530 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -3.481 -0.712 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.114 -2.308 3.012 1.00 0.00 H new ATOM 587 N THR A 45 -3.098 -1.842 -0.520 1.00 0.00 N ATOM 588 CA THR A 45 -1.869 -2.565 -0.801 1.00 0.00 C ATOM 589 C THR A 45 -1.020 -2.595 0.460 1.00 0.00 C ATOM 590 O THR A 45 -0.580 -1.545 0.927 1.00 0.00 O ATOM 591 CB THR A 45 -1.133 -1.914 -1.972 1.00 0.00 C ATOM 592 OG1 THR A 45 -2.018 -1.780 -3.067 1.00 0.00 O ATOM 593 CG2 THR A 45 0.068 -2.769 -2.386 1.00 0.00 C ATOM 0 H THR A 45 -2.955 -0.872 -0.238 1.00 0.00 H new ATOM 0 HA THR A 45 -2.090 -3.592 -1.093 1.00 0.00 H new ATOM 0 HB THR A 45 -0.776 -0.931 -1.664 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.493 -2.625 -3.209 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.583 -2.293 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.754 -2.865 -1.544 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.276 -3.758 -2.688 1.00 0.00 H new ATOM 601 N PHE A 46 -0.808 -3.790 1.014 1.00 0.00 N ATOM 602 CA PHE A 46 0.041 -3.982 2.170 1.00 0.00 C ATOM 603 C PHE A 46 1.454 -4.199 1.647 1.00 0.00 C ATOM 604 O PHE A 46 1.820 -5.308 1.251 1.00 0.00 O ATOM 605 CB PHE A 46 -0.365 -5.193 3.007 1.00 0.00 C ATOM 606 CG PHE A 46 -1.686 -5.190 3.749 1.00 0.00 C ATOM 607 CD1 PHE A 46 -2.853 -4.575 3.244 1.00 0.00 C ATOM 608 CD2 PHE A 46 -1.773 -6.003 4.889 1.00 0.00 C ATOM 609 CE1 PHE A 46 -4.076 -4.718 3.926 1.00 0.00 C ATOM 610 CE2 PHE A 46 -2.989 -6.141 5.562 1.00 0.00 C ATOM 611 CZ PHE A 46 -4.131 -5.456 5.117 1.00 0.00 C ATOM 0 H PHE A 46 -1.227 -4.651 0.664 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.041 -3.108 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.366 -6.059 2.345 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.421 -5.356 3.744 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.807 -3.995 2.334 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.897 -6.524 5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.971 -4.260 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.051 -6.779 6.431 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.046 -5.497 5.689 1.00 0.00 H new ATOM 620 N VAL A 47 2.258 -3.145 1.656 1.00 0.00 N ATOM 621 CA VAL A 47 3.672 -3.263 1.385 1.00 0.00 C ATOM 622 C VAL A 47 4.306 -4.047 2.536 1.00 0.00 C ATOM 623 O VAL A 47 3.916 -3.867 3.686 1.00 0.00 O ATOM 624 CB VAL A 47 4.270 -1.857 1.242 1.00 0.00 C ATOM 625 CG1 VAL A 47 5.797 -1.919 1.167 1.00 0.00 C ATOM 626 CG2 VAL A 47 3.707 -1.185 -0.019 1.00 0.00 C ATOM 0 H VAL A 47 1.946 -2.194 1.850 1.00 0.00 H new ATOM 0 HA VAL A 47 3.864 -3.797 0.454 1.00 0.00 H new ATOM 0 HB VAL A 47 3.997 -1.271 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.198 -0.910 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.188 -2.375 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.095 -2.516 0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.132 -0.186 -0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.966 -1.780 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.622 -1.111 0.061 1.00 0.00 H new ATOM 636 N HIS A 48 5.273 -4.914 2.228 1.00 0.00 N ATOM 637 CA HIS A 48 6.017 -5.671 3.218 1.00 0.00 C ATOM 638 C HIS A 48 7.509 -5.539 2.911 1.00 0.00 C ATOM 639 O HIS A 48 7.997 -6.114 1.943 1.00 0.00 O ATOM 640 CB HIS A 48 5.531 -7.129 3.229 1.00 0.00 C ATOM 641 CG HIS A 48 6.535 -8.105 3.781 1.00 0.00 C ATOM 642 ND1 HIS A 48 7.309 -7.937 4.914 1.00 0.00 N ATOM 643 CD2 HIS A 48 6.989 -9.202 3.108 1.00 0.00 C ATOM 644 CE1 HIS A 48 8.218 -8.928 4.933 1.00 0.00 C ATOM 645 NE2 HIS A 48 8.037 -9.712 3.852 1.00 0.00 N ATOM 0 H HIS A 48 5.560 -5.107 1.268 1.00 0.00 H new ATOM 0 HA HIS A 48 5.849 -5.280 4.222 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.616 -7.192 3.819 1.00 0.00 H new ATOM 0 HB3 HIS A 48 5.275 -7.424 2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 48 6.605 -9.594 2.178 1.00 0.00 H new ATOM 0 HE1 HIS A 48 8.972 -9.072 5.693 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.582 -10.543 3.621 1.00 0.00 H new ATOM 653 N GLU A 49 8.227 -4.813 3.772 1.00 0.00 N ATOM 654 CA GLU A 49 9.679 -4.714 3.776 1.00 0.00 C ATOM 655 C GLU A 49 10.072 -4.184 5.165 1.00 0.00 C ATOM 656 O GLU A 49 9.330 -4.415 6.123 1.00 0.00 O ATOM 657 CB GLU A 49 10.155 -3.830 2.599 1.00 0.00 C ATOM 658 CG GLU A 49 11.339 -4.465 1.852 1.00 0.00 C ATOM 659 CD GLU A 49 12.490 -4.839 2.771 1.00 0.00 C ATOM 660 OE1 GLU A 49 13.009 -3.907 3.425 1.00 0.00 O ATOM 661 OE2 GLU A 49 12.770 -6.051 2.874 1.00 0.00 O ATOM 0 H GLU A 49 7.792 -4.260 4.510 1.00 0.00 H new ATOM 0 HA GLU A 49 10.171 -5.674 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.329 -3.673 1.905 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.446 -2.849 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.995 -5.357 1.329 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.698 -3.769 1.094 1.00 0.00 H new ATOM 666 N SER A 50 11.167 -3.429 5.266 1.00 0.00 N ATOM 667 CA SER A 50 11.644 -2.740 6.451 1.00 0.00 C ATOM 668 C SER A 50 11.283 -1.248 6.386 1.00 0.00 C ATOM 669 O SER A 50 11.393 -0.617 5.333 1.00 0.00 O ATOM 670 CB SER A 50 13.161 -2.938 6.520 1.00 0.00 C ATOM 671 OG SER A 50 13.663 -2.395 7.728 1.00 0.00 O ATOM 0 H SER A 50 11.780 -3.277 4.465 1.00 0.00 H new ATOM 0 HA SER A 50 11.174 -3.144 7.347 1.00 0.00 H new ATOM 0 HB2 SER A 50 13.401 -4.000 6.461 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.639 -2.455 5.668 1.00 0.00 H new ATOM 0 HG SER A 50 14.633 -2.526 7.767 1.00 0.00 H new ATOM 676 N LEU A 51 10.868 -0.672 7.520 1.00 0.00 N ATOM 677 CA LEU A 51 10.496 0.738 7.663 1.00 0.00 C ATOM 678 C LEU A 51 11.577 1.653 7.094 1.00 0.00 C ATOM 679 O LEU A 51 11.306 2.558 6.299 1.00 0.00 O ATOM 680 CB LEU A 51 10.210 1.023 9.151 1.00 0.00 C ATOM 681 CG LEU A 51 9.995 2.508 9.508 1.00 0.00 C ATOM 682 CD1 LEU A 51 8.911 2.646 10.584 1.00 0.00 C ATOM 683 CD2 LEU A 51 11.273 3.164 10.051 1.00 0.00 C ATOM 0 H LEU A 51 10.779 -1.193 8.392 1.00 0.00 H new ATOM 0 HA LEU A 51 9.593 0.945 7.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 9.323 0.463 9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 51 11.041 0.641 9.744 1.00 0.00 H new ATOM 0 HG LEU A 51 9.699 3.007 8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 51 8.770 3.700 10.826 1.00 0.00 H new ATOM 0 HD12 LEU A 51 7.974 2.231 10.212 1.00 0.00 H new ATOM 0 HD13 LEU A 51 9.217 2.106 11.480 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.073 4.209 10.288 1.00 0.00 H new ATOM 0 HD22 LEU A 51 11.595 2.642 10.952 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.059 3.107 9.298 1.00 0.00 H new ATOM 694 N ALA A 52 12.822 1.399 7.501 1.00 0.00 N ATOM 695 CA ALA A 52 13.966 2.156 7.031 1.00 0.00 C ATOM 696 C ALA A 52 14.032 2.124 5.506 1.00 0.00 C ATOM 697 O ALA A 52 14.320 3.143 4.880 1.00 0.00 O ATOM 698 CB ALA A 52 15.247 1.591 7.650 1.00 0.00 C ATOM 0 H ALA A 52 13.057 0.662 8.165 1.00 0.00 H new ATOM 0 HA ALA A 52 13.862 3.196 7.339 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.105 2.162 7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.188 1.662 8.736 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.361 0.546 7.360 1.00 0.00 H new ATOM 704 N ASP A 53 13.754 0.963 4.904 1.00 0.00 N ATOM 705 CA ASP A 53 13.936 0.801 3.476 1.00 0.00 C ATOM 706 C ASP A 53 12.781 1.440 2.713 1.00 0.00 C ATOM 707 O ASP A 53 13.002 2.057 1.680 1.00 0.00 O ATOM 708 CB ASP A 53 14.161 -0.668 3.113 1.00 0.00 C ATOM 709 CG ASP A 53 15.039 -0.771 1.878 1.00 0.00 C ATOM 710 OD1 ASP A 53 16.171 -0.238 1.912 1.00 0.00 O ATOM 711 OD2 ASP A 53 14.641 -1.403 0.874 1.00 0.00 O ATOM 0 H ASP A 53 13.406 0.134 5.386 1.00 0.00 H new ATOM 0 HA ASP A 53 14.840 1.328 3.171 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.631 -1.189 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.204 -1.156 2.930 1.00 0.00 H new ATOM 715 N VAL A 54 11.554 1.365 3.236 1.00 0.00 N ATOM 716 CA VAL A 54 10.439 2.142 2.691 1.00 0.00 C ATOM 717 C VAL A 54 10.779 3.638 2.697 1.00 0.00 C ATOM 718 O VAL A 54 10.558 4.338 1.705 1.00 0.00 O ATOM 719 CB VAL A 54 9.136 1.808 3.441 1.00 0.00 C ATOM 720 CG1 VAL A 54 8.040 2.867 3.254 1.00 0.00 C ATOM 721 CG2 VAL A 54 8.604 0.470 2.915 1.00 0.00 C ATOM 0 H VAL A 54 11.309 0.777 4.032 1.00 0.00 H new ATOM 0 HA VAL A 54 10.274 1.867 1.649 1.00 0.00 H new ATOM 0 HB VAL A 54 9.376 1.770 4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 54 7.149 2.571 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.396 3.828 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.796 2.955 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.680 0.216 3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.408 0.551 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 54 9.345 -0.310 3.090 1.00 0.00 H new ATOM 731 N LYS A 55 11.330 4.147 3.801 1.00 0.00 N ATOM 732 CA LYS A 55 11.789 5.529 3.831 1.00 0.00 C ATOM 733 C LYS A 55 12.871 5.781 2.773 1.00 0.00 C ATOM 734 O LYS A 55 12.759 6.731 1.993 1.00 0.00 O ATOM 735 CB LYS A 55 12.198 5.921 5.250 1.00 0.00 C ATOM 736 CG LYS A 55 10.956 6.227 6.089 1.00 0.00 C ATOM 737 CD LYS A 55 11.263 6.126 7.586 1.00 0.00 C ATOM 738 CE LYS A 55 10.167 6.759 8.457 1.00 0.00 C ATOM 739 NZ LYS A 55 8.811 6.304 8.091 1.00 0.00 N ATOM 0 H LYS A 55 11.466 3.630 4.670 1.00 0.00 H new ATOM 0 HA LYS A 55 10.966 6.189 3.558 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.767 5.113 5.709 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.851 6.793 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.593 7.228 5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.158 5.531 5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.379 5.077 7.860 1.00 0.00 H new ATOM 0 HD3 LYS A 55 12.214 6.616 7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 55 10.356 6.518 9.503 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.218 7.844 8.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.165 6.459 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.475 6.841 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.836 5.291 7.857 1.00 0.00 H new ATOM 749 N ALA A 56 13.888 4.915 2.712 1.00 0.00 N ATOM 750 CA ALA A 56 14.933 4.998 1.699 1.00 0.00 C ATOM 751 C ALA A 56 14.327 5.107 0.299 1.00 0.00 C ATOM 752 O ALA A 56 14.622 6.061 -0.407 1.00 0.00 O ATOM 753 CB ALA A 56 15.898 3.813 1.806 1.00 0.00 C ATOM 0 H ALA A 56 14.005 4.140 3.364 1.00 0.00 H new ATOM 0 HA ALA A 56 15.510 5.905 1.879 1.00 0.00 H new ATOM 0 HB1 ALA A 56 16.667 3.900 1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 56 16.366 3.812 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 56 15.348 2.882 1.665 1.00 0.00 H new ATOM 759 N VAL A 57 13.455 4.166 -0.074 1.00 0.00 N ATOM 760 CA VAL A 57 12.694 4.129 -1.320 1.00 0.00 C ATOM 761 C VAL A 57 12.092 5.493 -1.666 1.00 0.00 C ATOM 762 O VAL A 57 12.232 5.952 -2.799 1.00 0.00 O ATOM 763 CB VAL A 57 11.621 3.024 -1.233 1.00 0.00 C ATOM 764 CG1 VAL A 57 10.439 3.252 -2.185 1.00 0.00 C ATOM 765 CG2 VAL A 57 12.253 1.647 -1.477 1.00 0.00 C ATOM 0 H VAL A 57 13.252 3.364 0.523 1.00 0.00 H new ATOM 0 HA VAL A 57 13.373 3.889 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 57 11.213 3.063 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 57 9.721 2.440 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.956 4.199 -1.945 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.800 3.279 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.484 0.877 -1.413 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.706 1.625 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.018 1.459 -0.724 1.00 0.00 H new ATOM 775 N CYS A 58 11.406 6.144 -0.721 1.00 0.00 N ATOM 776 CA CYS A 58 10.909 7.492 -0.989 1.00 0.00 C ATOM 777 C CYS A 58 12.072 8.432 -1.262 1.00 0.00 C ATOM 778 O CYS A 58 12.071 9.136 -2.262 1.00 0.00 O ATOM 779 CB CYS A 58 9.975 8.000 0.108 1.00 0.00 C ATOM 780 SG CYS A 58 10.252 9.646 0.826 1.00 0.00 S ATOM 0 H CYS A 58 11.189 5.774 0.204 1.00 0.00 H new ATOM 0 HA CYS A 58 10.294 7.456 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.961 7.985 -0.293 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.006 7.278 0.924 1.00 0.00 H new ATOM 784 N SER A 59 13.115 8.414 -0.440 1.00 0.00 N ATOM 785 CA SER A 59 14.296 9.215 -0.725 1.00 0.00 C ATOM 786 C SER A 59 15.192 8.536 -1.784 1.00 0.00 C ATOM 787 O SER A 59 16.394 8.388 -1.553 1.00 0.00 O ATOM 788 CB SER A 59 15.027 9.473 0.602 1.00 0.00 C ATOM 789 OG SER A 59 15.878 10.597 0.481 1.00 0.00 O ATOM 0 H SER A 59 13.166 7.862 0.416 1.00 0.00 H new ATOM 0 HA SER A 59 14.011 10.173 -1.160 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.302 9.641 1.398 1.00 0.00 H new ATOM 0 HB3 SER A 59 15.610 8.595 0.881 1.00 0.00 H new ATOM 0 HG SER A 59 16.503 10.456 -0.261 1.00 0.00 H new ATOM 794 N GLN A 60 14.638 8.113 -2.934 1.00 0.00 N ATOM 795 CA GLN A 60 15.368 7.341 -3.948 1.00 0.00 C ATOM 796 C GLN A 60 15.111 7.865 -5.377 1.00 0.00 C ATOM 797 O GLN A 60 15.642 8.918 -5.722 1.00 0.00 O ATOM 798 CB GLN A 60 15.134 5.830 -3.733 1.00 0.00 C ATOM 799 CG GLN A 60 16.395 4.968 -3.867 1.00 0.00 C ATOM 800 CD GLN A 60 17.106 4.715 -2.535 1.00 0.00 C ATOM 801 OE1 GLN A 60 17.425 3.572 -2.219 1.00 0.00 O ATOM 802 NE2 GLN A 60 17.364 5.744 -1.734 1.00 0.00 N ATOM 0 H GLN A 60 13.667 8.299 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 60 16.440 7.490 -3.822 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.709 5.678 -2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 60 14.393 5.483 -4.454 1.00 0.00 H new ATOM 0 HG2 GLN A 60 16.125 4.011 -4.313 1.00 0.00 H new ATOM 0 HG3 GLN A 60 17.088 5.456 -4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 60 17.092 6.687 -2.012 1.00 0.00 H new ATOM 0 HE22 GLN A 60 17.834 5.590 -0.842 1.00 0.00 H new ATOM 809 N LYS A 61 14.336 7.169 -6.225 1.00 0.00 N ATOM 810 CA LYS A 61 14.100 7.546 -7.618 1.00 0.00 C ATOM 811 C LYS A 61 12.652 8.003 -7.837 1.00 0.00 C ATOM 812 O LYS A 61 11.733 7.182 -7.860 1.00 0.00 O ATOM 813 CB LYS A 61 14.441 6.367 -8.537 1.00 0.00 C ATOM 814 CG LYS A 61 15.952 6.099 -8.553 1.00 0.00 C ATOM 815 CD LYS A 61 16.334 4.899 -9.430 1.00 0.00 C ATOM 816 CE LYS A 61 15.940 5.103 -10.903 1.00 0.00 C ATOM 817 NZ LYS A 61 16.501 4.055 -11.781 1.00 0.00 N ATOM 0 H LYS A 61 13.850 6.315 -5.952 1.00 0.00 H new ATOM 0 HA LYS A 61 14.747 8.388 -7.861 1.00 0.00 H new ATOM 0 HB2 LYS A 61 13.914 5.475 -8.200 1.00 0.00 H new ATOM 0 HB3 LYS A 61 14.095 6.579 -9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 61 16.470 6.987 -8.915 1.00 0.00 H new ATOM 0 HG3 LYS A 61 16.296 5.922 -7.534 1.00 0.00 H new ATOM 0 HD2 LYS A 61 17.409 4.731 -9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 61 15.847 4.002 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.853 5.104 -10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 61 16.288 6.080 -11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.210 4.233 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.539 4.070 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.149 3.124 -11.479 1.00 0.00 H new ATOM 827 N LYS A 62 12.460 9.314 -8.017 1.00 0.00 N ATOM 828 CA LYS A 62 11.176 9.918 -8.352 1.00 0.00 C ATOM 829 C LYS A 62 10.692 9.355 -9.690 1.00 0.00 C ATOM 830 O LYS A 62 11.484 9.250 -10.625 1.00 0.00 O ATOM 831 CB LYS A 62 11.334 11.449 -8.385 1.00 0.00 C ATOM 832 CG LYS A 62 10.025 12.223 -8.153 1.00 0.00 C ATOM 833 CD LYS A 62 9.148 12.432 -9.398 1.00 0.00 C ATOM 834 CE LYS A 62 9.682 13.541 -10.314 1.00 0.00 C ATOM 835 NZ LYS A 62 8.790 13.767 -11.472 1.00 0.00 N ATOM 0 H LYS A 62 13.213 9.996 -7.931 1.00 0.00 H new ATOM 0 HA LYS A 62 10.424 9.679 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.057 11.745 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.749 11.740 -9.350 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.439 11.693 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.270 13.199 -7.735 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.090 11.499 -9.958 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.133 12.680 -9.086 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.783 14.466 -9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.678 13.274 -10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.182 14.523 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.714 12.891 -12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.847 14.046 -11.134 1.00 0.00 H new ATOM 845 N VAL A 63 9.402 9.023 -9.798 1.00 0.00 N ATOM 846 CA VAL A 63 8.771 8.662 -11.061 1.00 0.00 C ATOM 847 C VAL A 63 7.538 9.529 -11.283 1.00 0.00 C ATOM 848 O VAL A 63 6.946 10.047 -10.339 1.00 0.00 O ATOM 849 CB VAL A 63 8.424 7.164 -11.112 1.00 0.00 C ATOM 850 CG1 VAL A 63 9.707 6.331 -11.144 1.00 0.00 C ATOM 851 CG2 VAL A 63 7.515 6.699 -9.964 1.00 0.00 C ATOM 0 H VAL A 63 8.765 8.999 -9.002 1.00 0.00 H new ATOM 0 HA VAL A 63 9.478 8.846 -11.869 1.00 0.00 H new ATOM 0 HB VAL A 63 7.854 7.011 -12.028 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.452 5.272 -11.180 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.290 6.594 -12.027 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.294 6.533 -10.248 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.314 5.633 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.010 6.884 -9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.575 7.250 -9.998 1.00 0.00 H new ATOM 861 N THR A 64 7.168 9.719 -12.546 1.00 0.00 N ATOM 862 CA THR A 64 5.893 10.315 -12.892 1.00 0.00 C ATOM 863 C THR A 64 4.825 9.271 -12.569 1.00 0.00 C ATOM 864 O THR A 64 4.865 8.167 -13.109 1.00 0.00 O ATOM 865 CB THR A 64 5.913 10.697 -14.376 1.00 0.00 C ATOM 866 OG1 THR A 64 7.080 11.462 -14.625 1.00 0.00 O ATOM 867 CG2 THR A 64 4.685 11.525 -14.764 1.00 0.00 C ATOM 0 H THR A 64 7.743 9.464 -13.349 1.00 0.00 H new ATOM 0 HA THR A 64 5.684 11.227 -12.333 1.00 0.00 H new ATOM 0 HB THR A 64 5.904 9.783 -14.969 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.110 11.714 -15.572 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.736 11.776 -15.823 1.00 0.00 H new ATOM 0 HG22 THR A 64 3.781 10.948 -14.571 1.00 0.00 H new ATOM 0 HG23 THR A 64 4.663 12.441 -14.174 1.00 0.00 H new ATOM 875 N CYS A 65 3.910 9.601 -11.657 1.00 0.00 N ATOM 876 CA CYS A 65 2.822 8.715 -11.257 1.00 0.00 C ATOM 877 C CYS A 65 1.866 8.533 -12.437 1.00 0.00 C ATOM 878 O CYS A 65 2.052 9.158 -13.484 1.00 0.00 O ATOM 879 CB CYS A 65 2.101 9.295 -10.035 1.00 0.00 C ATOM 880 SG CYS A 65 3.193 9.937 -8.744 1.00 0.00 S ATOM 0 H CYS A 65 3.905 10.499 -11.173 1.00 0.00 H new ATOM 0 HA CYS A 65 3.216 7.738 -10.977 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.442 10.098 -10.366 1.00 0.00 H new ATOM 0 HB3 CYS A 65 1.467 8.520 -9.603 1.00 0.00 H new ATOM 884 N LYS A 66 0.822 7.709 -12.297 1.00 0.00 N ATOM 885 CA LYS A 66 -0.093 7.422 -13.401 1.00 0.00 C ATOM 886 C LYS A 66 -1.124 8.548 -13.597 1.00 0.00 C ATOM 887 O LYS A 66 -2.324 8.294 -13.690 1.00 0.00 O ATOM 888 CB LYS A 66 -0.725 6.035 -13.206 1.00 0.00 C ATOM 889 CG LYS A 66 -1.220 5.463 -14.543 1.00 0.00 C ATOM 890 CD LYS A 66 -1.883 4.096 -14.337 1.00 0.00 C ATOM 891 CE LYS A 66 -2.257 3.490 -15.698 1.00 0.00 C ATOM 892 NZ LYS A 66 -2.954 2.195 -15.559 1.00 0.00 N ATOM 0 H LYS A 66 0.591 7.229 -11.427 1.00 0.00 H new ATOM 0 HA LYS A 66 0.470 7.391 -14.334 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.006 5.357 -12.765 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.558 6.106 -12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.931 6.152 -14.998 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.383 5.366 -15.235 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.205 3.429 -13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.774 4.203 -13.719 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -2.894 4.187 -16.242 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.354 3.353 -16.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.187 1.823 -16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.337 1.520 -15.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.829 2.329 -15.014 1.00 0.00 H new ATOM 902 N ASP A 67 -0.622 9.781 -13.696 1.00 0.00 N ATOM 903 CA ASP A 67 -1.314 11.048 -13.901 1.00 0.00 C ATOM 904 C ASP A 67 -0.251 12.147 -14.031 1.00 0.00 C ATOM 905 O ASP A 67 -0.310 12.985 -14.927 1.00 0.00 O ATOM 906 CB ASP A 67 -2.362 11.349 -12.808 1.00 0.00 C ATOM 907 CG ASP A 67 -1.866 11.556 -11.376 1.00 0.00 C ATOM 908 OD1 ASP A 67 -0.648 11.421 -11.121 1.00 0.00 O ATOM 909 OD2 ASP A 67 -2.733 11.894 -10.545 1.00 0.00 O ATOM 0 H ASP A 67 0.385 9.927 -13.627 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.901 10.997 -14.818 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.907 12.245 -13.105 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.079 10.528 -12.798 1.00 0.00 H new ATOM 913 N GLY A 68 0.750 12.090 -13.153 1.00 0.00 N ATOM 914 CA GLY A 68 1.839 13.038 -13.023 1.00 0.00 C ATOM 915 C GLY A 68 1.480 14.155 -12.045 1.00 0.00 C ATOM 916 O GLY A 68 2.049 15.240 -12.131 1.00 0.00 O ATOM 0 H GLY A 68 0.820 11.331 -12.475 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.735 12.522 -12.678 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.072 13.465 -13.998 1.00 0.00 H new ATOM 919 N GLN A 69 0.552 13.901 -11.114 1.00 0.00 N ATOM 920 CA GLN A 69 0.108 14.899 -10.151 1.00 0.00 C ATOM 921 C GLN A 69 1.003 14.846 -8.913 1.00 0.00 C ATOM 922 O GLN A 69 1.627 15.837 -8.541 1.00 0.00 O ATOM 923 CB GLN A 69 -1.369 14.656 -9.807 1.00 0.00 C ATOM 924 CG GLN A 69 -1.956 15.803 -8.977 1.00 0.00 C ATOM 925 CD GLN A 69 -3.422 15.566 -8.626 1.00 0.00 C ATOM 926 OE1 GLN A 69 -3.793 15.559 -7.457 1.00 0.00 O ATOM 927 NE2 GLN A 69 -4.274 15.390 -9.630 1.00 0.00 N ATOM 0 H GLN A 69 0.092 12.996 -11.013 1.00 0.00 H new ATOM 0 HA GLN A 69 0.189 15.900 -10.576 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.943 14.542 -10.727 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.465 13.721 -9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.378 15.919 -8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.863 16.736 -9.532 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.937 15.401 -10.593 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.265 15.244 -9.438 1.00 0.00 H new ATOM 934 N THR A 70 1.044 13.691 -8.253 1.00 0.00 N ATOM 935 CA THR A 70 1.824 13.471 -7.051 1.00 0.00 C ATOM 936 C THR A 70 3.308 13.322 -7.400 1.00 0.00 C ATOM 937 O THR A 70 3.671 12.918 -8.504 1.00 0.00 O ATOM 938 CB THR A 70 1.243 12.239 -6.339 1.00 0.00 C ATOM 939 OG1 THR A 70 0.775 11.329 -7.318 1.00 0.00 O ATOM 940 CG2 THR A 70 0.044 12.659 -5.487 1.00 0.00 C ATOM 0 H THR A 70 0.522 12.867 -8.551 1.00 0.00 H new ATOM 0 HA THR A 70 1.764 14.323 -6.374 1.00 0.00 H new ATOM 0 HB THR A 70 2.013 11.786 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 70 1.523 10.787 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.368 11.785 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.364 13.390 -4.744 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.720 13.102 -6.127 1.00 0.00 H new ATOM 948 N ASN A 71 4.186 13.650 -6.449 1.00 0.00 N ATOM 949 CA ASN A 71 5.626 13.488 -6.600 1.00 0.00 C ATOM 950 C ASN A 71 6.029 12.155 -5.970 1.00 0.00 C ATOM 951 O ASN A 71 6.641 12.116 -4.904 1.00 0.00 O ATOM 952 CB ASN A 71 6.342 14.686 -5.973 1.00 0.00 C ATOM 953 CG ASN A 71 7.839 14.651 -6.261 1.00 0.00 C ATOM 954 OD1 ASN A 71 8.254 14.754 -7.411 1.00 0.00 O ATOM 955 ND2 ASN A 71 8.663 14.520 -5.228 1.00 0.00 N ATOM 0 H ASN A 71 3.911 14.038 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 71 5.917 13.463 -7.650 1.00 0.00 H new ATOM 0 HB2 ASN A 71 5.916 15.611 -6.362 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.177 14.688 -4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.672 14.503 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.287 14.437 -4.283 1.00 0.00 H new ATOM 961 N CYS A 72 5.619 11.055 -6.610 1.00 0.00 N ATOM 962 CA CYS A 72 5.855 9.706 -6.105 1.00 0.00 C ATOM 963 C CYS A 72 7.194 9.150 -6.589 1.00 0.00 C ATOM 964 O CYS A 72 7.803 9.663 -7.528 1.00 0.00 O ATOM 965 CB CYS A 72 4.695 8.745 -6.412 1.00 0.00 C ATOM 966 SG CYS A 72 4.418 8.367 -8.156 1.00 0.00 S ATOM 0 H CYS A 72 5.113 11.079 -7.495 1.00 0.00 H new ATOM 0 HA CYS A 72 5.906 9.787 -5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.875 7.809 -5.882 1.00 0.00 H new ATOM 0 HB3 CYS A 72 3.779 9.171 -6.003 1.00 0.00 H new ATOM 970 N TYR A 73 7.680 8.127 -5.884 1.00 0.00 N ATOM 971 CA TYR A 73 8.990 7.520 -6.054 1.00 0.00 C ATOM 972 C TYR A 73 8.840 6.011 -6.180 1.00 0.00 C ATOM 973 O TYR A 73 8.033 5.422 -5.462 1.00 0.00 O ATOM 974 CB TYR A 73 9.863 7.849 -4.841 1.00 0.00 C ATOM 975 CG TYR A 73 10.536 9.204 -4.886 1.00 0.00 C ATOM 976 CD1 TYR A 73 9.802 10.380 -4.669 1.00 0.00 C ATOM 977 CD2 TYR A 73 11.931 9.279 -5.012 1.00 0.00 C ATOM 978 CE1 TYR A 73 10.467 11.609 -4.535 1.00 0.00 C ATOM 979 CE2 TYR A 73 12.594 10.517 -4.954 1.00 0.00 C ATOM 980 CZ TYR A 73 11.861 11.679 -4.675 1.00 0.00 C ATOM 981 OH TYR A 73 12.489 12.884 -4.570 1.00 0.00 O ATOM 0 H TYR A 73 7.139 7.681 -5.143 1.00 0.00 H new ATOM 0 HA TYR A 73 9.459 7.912 -6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.247 7.796 -3.944 1.00 0.00 H new ATOM 0 HB3 TYR A 73 10.631 7.081 -4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.725 10.340 -4.605 1.00 0.00 H new ATOM 0 HD2 TYR A 73 12.503 8.374 -5.155 1.00 0.00 H new ATOM 0 HE1 TYR A 73 9.903 12.505 -4.323 1.00 0.00 H new ATOM 0 HE2 TYR A 73 13.659 10.573 -5.123 1.00 0.00 H new ATOM 0 HH TYR A 73 13.454 12.762 -4.690 1.00 0.00 H new ATOM 990 N GLN A 74 9.628 5.412 -7.081 1.00 0.00 N ATOM 991 CA GLN A 74 9.657 3.980 -7.339 1.00 0.00 C ATOM 992 C GLN A 74 10.751 3.328 -6.498 1.00 0.00 C ATOM 993 O GLN A 74 11.858 3.857 -6.384 1.00 0.00 O ATOM 994 CB GLN A 74 9.899 3.721 -8.835 1.00 0.00 C ATOM 995 CG GLN A 74 10.083 2.225 -9.145 1.00 0.00 C ATOM 996 CD GLN A 74 10.182 1.877 -10.628 1.00 0.00 C ATOM 997 OE1 GLN A 74 9.898 0.749 -11.019 1.00 0.00 O ATOM 998 NE2 GLN A 74 10.614 2.810 -11.470 1.00 0.00 N ATOM 0 H GLN A 74 10.281 5.933 -7.666 1.00 0.00 H new ATOM 0 HA GLN A 74 8.697 3.544 -7.064 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.058 4.108 -9.410 1.00 0.00 H new ATOM 0 HB3 GLN A 74 10.784 4.269 -9.158 1.00 0.00 H new ATOM 0 HG2 GLN A 74 10.986 1.875 -8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 74 9.246 1.675 -8.714 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.845 3.742 -11.124 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.715 2.595 -12.462 1.00 0.00 H new ATOM 1005 N SER A 75 10.453 2.152 -5.947 1.00 0.00 N ATOM 1006 CA SER A 75 11.419 1.370 -5.200 1.00 0.00 C ATOM 1007 C SER A 75 12.611 0.905 -6.041 1.00 0.00 C ATOM 1008 O SER A 75 12.494 0.645 -7.237 1.00 0.00 O ATOM 1009 CB SER A 75 10.687 0.214 -4.517 1.00 0.00 C ATOM 1010 OG SER A 75 10.039 -0.624 -5.454 1.00 0.00 O ATOM 0 H SER A 75 9.531 1.720 -6.010 1.00 0.00 H new ATOM 0 HA SER A 75 11.869 2.009 -4.441 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.398 -0.373 -3.935 1.00 0.00 H new ATOM 0 HB3 SER A 75 9.953 0.612 -3.816 1.00 0.00 H new ATOM 0 HG SER A 75 10.656 -1.328 -5.744 1.00 0.00 H new ATOM 1015 N LYS A 76 13.759 0.766 -5.369 1.00 0.00 N ATOM 1016 CA LYS A 76 15.032 0.288 -5.896 1.00 0.00 C ATOM 1017 C LYS A 76 14.885 -0.932 -6.819 1.00 0.00 C ATOM 1018 O LYS A 76 15.624 -1.079 -7.790 1.00 0.00 O ATOM 1019 CB LYS A 76 15.966 -0.028 -4.711 1.00 0.00 C ATOM 1020 CG LYS A 76 15.260 -0.836 -3.610 1.00 0.00 C ATOM 1021 CD LYS A 76 16.208 -1.507 -2.615 1.00 0.00 C ATOM 1022 CE LYS A 76 16.721 -0.523 -1.556 1.00 0.00 C ATOM 1023 NZ LYS A 76 16.961 -1.216 -0.277 1.00 0.00 N ATOM 0 H LYS A 76 13.823 1.001 -4.378 1.00 0.00 H new ATOM 0 HA LYS A 76 15.458 1.076 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 76 16.830 -0.587 -5.071 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.343 0.904 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.588 -0.174 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.642 -1.602 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.693 -2.332 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.054 -1.935 -3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.643 -0.056 -1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.994 0.276 -1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.076 -0.514 0.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.152 -1.832 -0.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.825 -1.791 -0.350 1.00 0.00 H new ATOM 1033 N SER A 77 13.956 -1.822 -6.481 1.00 0.00 N ATOM 1034 CA SER A 77 13.778 -3.139 -7.058 1.00 0.00 C ATOM 1035 C SER A 77 12.339 -3.565 -6.768 1.00 0.00 C ATOM 1036 O SER A 77 11.584 -2.810 -6.149 1.00 0.00 O ATOM 1037 CB SER A 77 14.795 -4.081 -6.399 1.00 0.00 C ATOM 1038 OG SER A 77 14.776 -3.883 -4.996 1.00 0.00 O ATOM 0 H SER A 77 13.269 -1.625 -5.753 1.00 0.00 H new ATOM 0 HA SER A 77 13.943 -3.157 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.554 -5.118 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.794 -3.889 -6.791 1.00 0.00 H new ATOM 0 HG SER A 77 15.423 -4.484 -4.572 1.00 0.00 H new ATOM 1043 N THR A 78 11.949 -4.756 -7.222 1.00 0.00 N ATOM 1044 CA THR A 78 10.702 -5.381 -6.835 1.00 0.00 C ATOM 1045 C THR A 78 10.772 -5.754 -5.349 1.00 0.00 C ATOM 1046 O THR A 78 11.813 -6.191 -4.863 1.00 0.00 O ATOM 1047 CB THR A 78 10.494 -6.597 -7.746 1.00 0.00 C ATOM 1048 OG1 THR A 78 11.735 -7.256 -7.922 1.00 0.00 O ATOM 1049 CG2 THR A 78 10.015 -6.157 -9.133 1.00 0.00 C ATOM 0 H THR A 78 12.501 -5.313 -7.875 1.00 0.00 H new ATOM 0 HA THR A 78 9.849 -4.713 -6.954 1.00 0.00 H new ATOM 0 HB THR A 78 9.753 -7.249 -7.284 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.612 -8.036 -8.502 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.873 -7.034 -9.764 1.00 0.00 H new ATOM 0 HG22 THR A 78 9.070 -5.621 -9.039 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.760 -5.502 -9.584 1.00 0.00 H new ATOM 1057 N MET A 79 9.672 -5.550 -4.624 1.00 0.00 N ATOM 1058 CA MET A 79 9.498 -5.883 -3.223 1.00 0.00 C ATOM 1059 C MET A 79 8.225 -6.717 -3.106 1.00 0.00 C ATOM 1060 O MET A 79 7.353 -6.657 -3.974 1.00 0.00 O ATOM 1061 CB MET A 79 9.406 -4.592 -2.402 1.00 0.00 C ATOM 1062 CG MET A 79 10.775 -3.913 -2.308 1.00 0.00 C ATOM 1063 SD MET A 79 10.782 -2.327 -1.438 1.00 0.00 S ATOM 1064 CE MET A 79 12.563 -2.056 -1.372 1.00 0.00 C ATOM 0 H MET A 79 8.837 -5.125 -5.027 1.00 0.00 H new ATOM 0 HA MET A 79 10.342 -6.456 -2.838 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.688 -3.913 -2.862 1.00 0.00 H new ATOM 0 HB3 MET A 79 9.036 -4.817 -1.402 1.00 0.00 H new ATOM 0 HG2 MET A 79 11.466 -4.590 -1.805 1.00 0.00 H new ATOM 0 HG3 MET A 79 11.158 -3.759 -3.317 1.00 0.00 H new ATOM 0 HE1 MET A 79 12.768 -1.105 -0.880 1.00 0.00 H new ATOM 0 HE2 MET A 79 13.033 -2.864 -0.811 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.966 -2.035 -2.385 1.00 0.00 H new ATOM 1072 N ARG A 80 8.142 -7.539 -2.060 1.00 0.00 N ATOM 1073 CA ARG A 80 7.080 -8.518 -1.915 1.00 0.00 C ATOM 1074 C ARG A 80 5.896 -7.889 -1.191 1.00 0.00 C ATOM 1075 O ARG A 80 6.035 -7.513 -0.030 1.00 0.00 O ATOM 1076 CB ARG A 80 7.622 -9.779 -1.224 1.00 0.00 C ATOM 1077 CG ARG A 80 7.343 -11.028 -2.075 1.00 0.00 C ATOM 1078 CD ARG A 80 6.720 -12.140 -1.242 1.00 0.00 C ATOM 1079 NE ARG A 80 7.700 -12.790 -0.370 1.00 0.00 N ATOM 1080 CZ ARG A 80 8.505 -13.787 -0.779 1.00 0.00 C ATOM 1081 NH1 ARG A 80 8.565 -14.131 -2.073 1.00 0.00 N ATOM 1082 NH2 ARG A 80 9.250 -14.444 0.116 1.00 0.00 N ATOM 0 H ARG A 80 8.813 -7.540 -1.292 1.00 0.00 H new ATOM 0 HA ARG A 80 6.716 -8.834 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.695 -9.677 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.159 -9.890 -0.244 1.00 0.00 H new ATOM 0 HG2 ARG A 80 6.675 -10.769 -2.896 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.273 -11.382 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.912 -11.729 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.276 -12.883 -1.904 1.00 0.00 H new ATOM 0 HE ARG A 80 7.776 -12.471 0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 80 7.996 -13.635 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 80 9.179 -14.889 -2.371 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.206 -14.188 1.102 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.862 -15.201 -0.188 1.00 0.00 H new ATOM 1093 N ILE A 81 4.756 -7.744 -1.870 1.00 0.00 N ATOM 1094 CA ILE A 81 3.589 -7.060 -1.337 1.00 0.00 C ATOM 1095 C ILE A 81 2.404 -8.008 -1.186 1.00 0.00 C ATOM 1096 O ILE A 81 2.213 -8.928 -1.981 1.00 0.00 O ATOM 1097 CB ILE A 81 3.225 -5.848 -2.209 1.00 0.00 C ATOM 1098 CG1 ILE A 81 2.831 -6.218 -3.651 1.00 0.00 C ATOM 1099 CG2 ILE A 81 4.393 -4.854 -2.243 1.00 0.00 C ATOM 1100 CD1 ILE A 81 1.858 -5.205 -4.244 1.00 0.00 C ATOM 0 H ILE A 81 4.622 -8.104 -2.815 1.00 0.00 H new ATOM 0 HA ILE A 81 3.841 -6.698 -0.340 1.00 0.00 H new ATOM 0 HB ILE A 81 2.347 -5.397 -1.746 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.726 -6.270 -4.271 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.377 -7.209 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.125 -3.999 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.611 -4.514 -1.231 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.274 -5.342 -2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.603 -5.499 -5.262 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.953 -5.172 -3.638 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.322 -4.219 -4.257 1.00 0.00 H new ATOM 1111 N THR A 82 1.593 -7.736 -0.166 1.00 0.00 N ATOM 1112 CA THR A 82 0.289 -8.337 0.046 1.00 0.00 C ATOM 1113 C THR A 82 -0.739 -7.329 -0.483 1.00 0.00 C ATOM 1114 O THR A 82 -1.161 -6.430 0.238 1.00 0.00 O ATOM 1115 CB THR A 82 0.177 -8.700 1.547 1.00 0.00 C ATOM 1116 OG1 THR A 82 0.833 -9.938 1.744 1.00 0.00 O ATOM 1117 CG2 THR A 82 -1.238 -8.807 2.131 1.00 0.00 C ATOM 0 H THR A 82 1.841 -7.064 0.560 1.00 0.00 H new ATOM 0 HA THR A 82 0.115 -9.271 -0.488 1.00 0.00 H new ATOM 0 HB THR A 82 0.632 -7.863 2.077 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.778 -10.191 2.689 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.177 -9.066 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.750 -7.851 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.793 -9.580 1.600 1.00 0.00 H new ATOM 1125 N ASP A 83 -1.138 -7.427 -1.757 1.00 0.00 N ATOM 1126 CA ASP A 83 -2.268 -6.625 -2.219 1.00 0.00 C ATOM 1127 C ASP A 83 -3.524 -7.162 -1.539 1.00 0.00 C ATOM 1128 O ASP A 83 -3.592 -8.356 -1.251 1.00 0.00 O ATOM 1129 CB ASP A 83 -2.396 -6.620 -3.753 1.00 0.00 C ATOM 1130 CG ASP A 83 -2.050 -5.267 -4.360 1.00 0.00 C ATOM 1131 OD1 ASP A 83 -2.573 -4.255 -3.841 1.00 0.00 O ATOM 1132 OD2 ASP A 83 -1.271 -5.263 -5.336 1.00 0.00 O ATOM 0 H ASP A 83 -0.712 -8.031 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 83 -2.114 -5.581 -1.946 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.739 -7.382 -4.172 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -3.415 -6.890 -4.031 1.00 0.00 H new ATOM 1136 N CYS A 84 -4.498 -6.303 -1.247 1.00 0.00 N ATOM 1137 CA CYS A 84 -5.691 -6.650 -0.484 1.00 0.00 C ATOM 1138 C CYS A 84 -6.916 -6.062 -1.179 1.00 0.00 C ATOM 1139 O CYS A 84 -6.978 -4.844 -1.355 1.00 0.00 O ATOM 1140 CB CYS A 84 -5.572 -6.086 0.936 1.00 0.00 C ATOM 1141 SG CYS A 84 -6.976 -6.553 1.961 1.00 0.00 S ATOM 0 H CYS A 84 -4.478 -5.327 -1.541 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.793 -7.734 -0.427 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -4.651 -6.447 1.394 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -5.501 -4.999 0.891 1.00 0.00 H new ATOM 1145 N ARG A 85 -7.874 -6.898 -1.603 1.00 0.00 N ATOM 1146 CA ARG A 85 -9.051 -6.414 -2.320 1.00 0.00 C ATOM 1147 C ARG A 85 -10.335 -7.006 -1.748 1.00 0.00 C ATOM 1148 O ARG A 85 -10.298 -8.081 -1.155 1.00 0.00 O ATOM 1149 CB ARG A 85 -8.963 -6.779 -3.814 1.00 0.00 C ATOM 1150 CG ARG A 85 -9.667 -5.690 -4.635 1.00 0.00 C ATOM 1151 CD ARG A 85 -10.242 -6.130 -5.984 1.00 0.00 C ATOM 1152 NE ARG A 85 -11.360 -5.232 -6.330 1.00 0.00 N ATOM 1153 CZ ARG A 85 -12.245 -5.415 -7.318 1.00 0.00 C ATOM 1154 NH1 ARG A 85 -11.985 -6.323 -8.267 1.00 0.00 N ATOM 1155 NH2 ARG A 85 -13.372 -4.690 -7.341 1.00 0.00 N ATOM 0 H ARG A 85 -7.853 -7.908 -1.460 1.00 0.00 H new ATOM 0 HA ARG A 85 -9.075 -5.331 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -7.920 -6.866 -4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.430 -7.747 -3.993 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -10.478 -5.278 -4.034 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.958 -4.881 -4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.472 -6.091 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -10.588 -7.162 -5.930 1.00 0.00 H new ATOM 0 HE ARG A 85 -11.469 -4.392 -5.762 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.122 -6.865 -8.231 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.650 -6.473 -9.025 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -13.552 -4.003 -6.608 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -14.050 -4.825 -8.091 1.00 0.00 H new ATOM 1166 N GLU A 86 -11.469 -6.364 -2.036 1.00 0.00 N ATOM 1167 CA GLU A 86 -12.790 -6.916 -1.807 1.00 0.00 C ATOM 1168 C GLU A 86 -13.044 -7.989 -2.874 1.00 0.00 C ATOM 1169 O GLU A 86 -12.620 -7.852 -4.024 1.00 0.00 O ATOM 1170 CB GLU A 86 -13.856 -5.811 -1.967 1.00 0.00 C ATOM 1171 CG GLU A 86 -13.723 -5.030 -3.292 1.00 0.00 C ATOM 1172 CD GLU A 86 -14.926 -4.185 -3.654 1.00 0.00 C ATOM 1173 OE1 GLU A 86 -15.890 -4.169 -2.852 1.00 0.00 O ATOM 1174 OE2 GLU A 86 -14.831 -3.605 -4.762 1.00 0.00 O ATOM 0 H GLU A 86 -11.487 -5.429 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.848 -7.333 -0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -14.848 -6.261 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.777 -5.115 -1.132 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.848 -4.383 -3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -13.539 -5.739 -4.099 1.00 0.00 H new ATOM 1179 N THR A 87 -13.726 -9.066 -2.492 1.00 0.00 N ATOM 1180 CA THR A 87 -14.259 -10.078 -3.388 1.00 0.00 C ATOM 1181 C THR A 87 -15.579 -10.560 -2.776 1.00 0.00 C ATOM 1182 O THR A 87 -16.165 -9.846 -1.968 1.00 0.00 O ATOM 1183 CB THR A 87 -13.247 -11.223 -3.579 1.00 0.00 C ATOM 1184 OG1 THR A 87 -13.127 -11.985 -2.397 1.00 0.00 O ATOM 1185 CG2 THR A 87 -11.865 -10.713 -3.969 1.00 0.00 C ATOM 0 H THR A 87 -13.928 -9.261 -1.511 1.00 0.00 H new ATOM 0 HA THR A 87 -14.441 -9.674 -4.384 1.00 0.00 H new ATOM 0 HB THR A 87 -13.632 -11.842 -4.390 1.00 0.00 H new ATOM 0 HG1 THR A 87 -12.481 -12.708 -2.538 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.187 -11.557 -4.092 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.932 -10.162 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.486 -10.055 -3.187 1.00 0.00 H new ATOM 1193 N GLY A 88 -16.026 -11.762 -3.160 1.00 0.00 N ATOM 1194 CA GLY A 88 -17.107 -12.539 -2.567 1.00 0.00 C ATOM 1195 C GLY A 88 -18.182 -11.759 -1.814 1.00 0.00 C ATOM 1196 O GLY A 88 -18.500 -12.116 -0.683 1.00 0.00 O ATOM 0 H GLY A 88 -15.606 -12.248 -3.953 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.592 -13.107 -3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -16.668 -13.263 -1.880 1.00 0.00 H new ATOM 1199 N SER A 89 -18.764 -10.738 -2.452 1.00 0.00 N ATOM 1200 CA SER A 89 -19.846 -9.943 -1.900 1.00 0.00 C ATOM 1201 C SER A 89 -19.374 -9.217 -0.640 1.00 0.00 C ATOM 1202 O SER A 89 -19.609 -9.687 0.472 1.00 0.00 O ATOM 1203 CB SER A 89 -21.080 -10.824 -1.653 1.00 0.00 C ATOM 1204 OG SER A 89 -21.407 -11.523 -2.841 1.00 0.00 O ATOM 0 H SER A 89 -18.484 -10.441 -3.387 1.00 0.00 H new ATOM 0 HA SER A 89 -20.143 -9.177 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.881 -11.530 -0.846 1.00 0.00 H new ATOM 0 HB3 SER A 89 -21.922 -10.208 -1.337 1.00 0.00 H new ATOM 0 HG SER A 89 -22.193 -12.086 -2.683 1.00 0.00 H new ATOM 1209 N SER A 90 -18.730 -8.059 -0.814 1.00 0.00 N ATOM 1210 CA SER A 90 -18.209 -7.211 0.245 1.00 0.00 C ATOM 1211 C SER A 90 -19.337 -6.597 1.084 1.00 0.00 C ATOM 1212 O SER A 90 -19.595 -5.396 1.048 1.00 0.00 O ATOM 1213 CB SER A 90 -17.233 -6.206 -0.393 1.00 0.00 C ATOM 1214 OG SER A 90 -17.614 -5.911 -1.731 1.00 0.00 O ATOM 0 H SER A 90 -18.553 -7.676 -1.743 1.00 0.00 H new ATOM 0 HA SER A 90 -17.644 -7.788 0.977 1.00 0.00 H new ATOM 0 HB2 SER A 90 -17.213 -5.288 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.223 -6.615 -0.380 1.00 0.00 H new ATOM 0 HG SER A 90 -16.868 -5.478 -2.196 1.00 0.00 H new ATOM 1219 N LYS A 91 -19.990 -7.457 1.871 1.00 0.00 N ATOM 1220 CA LYS A 91 -20.953 -7.102 2.894 1.00 0.00 C ATOM 1221 C LYS A 91 -20.277 -6.223 3.946 1.00 0.00 C ATOM 1222 O LYS A 91 -19.055 -6.151 4.033 1.00 0.00 O ATOM 1223 CB LYS A 91 -21.528 -8.384 3.522 1.00 0.00 C ATOM 1224 CG LYS A 91 -22.422 -9.136 2.523 1.00 0.00 C ATOM 1225 CD LYS A 91 -22.966 -10.461 3.083 1.00 0.00 C ATOM 1226 CE LYS A 91 -24.037 -10.241 4.165 1.00 0.00 C ATOM 1227 NZ LYS A 91 -24.649 -11.512 4.609 1.00 0.00 N ATOM 0 H LYS A 91 -19.848 -8.465 1.802 1.00 0.00 H new ATOM 0 HA LYS A 91 -21.776 -6.537 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -20.713 -9.032 3.845 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -22.105 -8.130 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -23.258 -8.497 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -21.853 -9.338 1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -23.390 -11.050 2.270 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -22.144 -11.041 3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -23.589 -9.737 5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -24.813 -9.581 3.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -25.365 -11.317 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -25.100 -11.982 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -23.913 -12.132 5.003 1.00 0.00 H new ATOM 1237 N TYR A 92 -21.085 -5.543 4.751 1.00 0.00 N ATOM 1238 CA TYR A 92 -20.624 -4.675 5.816 1.00 0.00 C ATOM 1239 C TYR A 92 -21.437 -5.044 7.056 1.00 0.00 C ATOM 1240 O TYR A 92 -22.643 -5.249 6.933 1.00 0.00 O ATOM 1241 CB TYR A 92 -20.812 -3.225 5.361 1.00 0.00 C ATOM 1242 CG TYR A 92 -20.869 -2.203 6.477 1.00 0.00 C ATOM 1243 CD1 TYR A 92 -22.103 -1.902 7.084 1.00 0.00 C ATOM 1244 CD2 TYR A 92 -19.701 -1.550 6.904 1.00 0.00 C ATOM 1245 CE1 TYR A 92 -22.167 -0.956 8.120 1.00 0.00 C ATOM 1246 CE2 TYR A 92 -19.770 -0.589 7.926 1.00 0.00 C ATOM 1247 CZ TYR A 92 -21.001 -0.292 8.535 1.00 0.00 C ATOM 1248 OH TYR A 92 -21.067 0.652 9.514 1.00 0.00 O ATOM 0 H TYR A 92 -22.101 -5.584 4.676 1.00 0.00 H new ATOM 0 HA TYR A 92 -19.567 -4.791 6.056 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -19.994 -2.962 4.690 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -21.733 -3.159 4.782 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -23.002 -2.400 6.752 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -18.751 -1.786 6.447 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -23.111 -0.739 8.597 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -18.874 -0.077 8.245 1.00 0.00 H new ATOM 0 HH TYR A 92 -20.217 0.679 10.001 1.00 0.00 H new ATOM 1257 N PRO A 93 -20.804 -5.202 8.229 1.00 0.00 N ATOM 1258 CA PRO A 93 -19.375 -5.038 8.477 1.00 0.00 C ATOM 1259 C PRO A 93 -18.532 -6.229 7.984 1.00 0.00 C ATOM 1260 O PRO A 93 -17.311 -6.207 8.126 1.00 0.00 O ATOM 1261 CB PRO A 93 -19.270 -4.904 9.995 1.00 0.00 C ATOM 1262 CG PRO A 93 -20.417 -5.770 10.505 1.00 0.00 C ATOM 1263 CD PRO A 93 -21.504 -5.527 9.459 1.00 0.00 C ATOM 0 HA PRO A 93 -18.984 -4.178 7.934 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -18.306 -5.255 10.364 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -19.376 -3.868 10.315 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -20.137 -6.822 10.563 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -20.739 -5.471 11.502 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -22.129 -6.411 9.332 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -22.162 -4.713 9.761 1.00 0.00 H new ATOM 1268 N ASN A 94 -19.157 -7.265 7.411 1.00 0.00 N ATOM 1269 CA ASN A 94 -18.489 -8.497 6.999 1.00 0.00 C ATOM 1270 C ASN A 94 -17.703 -8.278 5.702 1.00 0.00 C ATOM 1271 O ASN A 94 -18.033 -8.853 4.666 1.00 0.00 O ATOM 1272 CB ASN A 94 -19.533 -9.613 6.839 1.00 0.00 C ATOM 1273 CG ASN A 94 -20.070 -10.086 8.185 1.00 0.00 C ATOM 1274 OD1 ASN A 94 -19.462 -10.924 8.841 1.00 0.00 O ATOM 1275 ND2 ASN A 94 -21.219 -9.566 8.616 1.00 0.00 N ATOM 0 H ASN A 94 -20.159 -7.267 7.219 1.00 0.00 H new ATOM 0 HA ASN A 94 -17.774 -8.795 7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -20.358 -9.253 6.225 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -19.086 -10.455 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -21.610 -9.864 9.509 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -21.707 -8.870 8.052 1.00 0.00 H new ATOM 1281 N CYS A 95 -16.667 -7.436 5.759 1.00 0.00 N ATOM 1282 CA CYS A 95 -15.953 -7.011 4.566 1.00 0.00 C ATOM 1283 C CYS A 95 -15.139 -8.152 3.958 1.00 0.00 C ATOM 1284 O CYS A 95 -14.097 -8.551 4.476 1.00 0.00 O ATOM 1285 CB CYS A 95 -15.087 -5.791 4.818 1.00 0.00 C ATOM 1286 SG CYS A 95 -14.462 -5.148 3.252 1.00 0.00 S ATOM 0 H CYS A 95 -16.308 -7.037 6.626 1.00 0.00 H new ATOM 0 HA CYS A 95 -16.710 -6.720 3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -15.666 -5.023 5.331 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -14.255 -6.053 5.471 1.00 0.00 H new ATOM 1290 N ALA A 96 -15.634 -8.675 2.840 1.00 0.00 N ATOM 1291 CA ALA A 96 -15.146 -9.888 2.211 1.00 0.00 C ATOM 1292 C ALA A 96 -13.811 -9.643 1.500 1.00 0.00 C ATOM 1293 O ALA A 96 -13.770 -9.530 0.277 1.00 0.00 O ATOM 1294 CB ALA A 96 -16.220 -10.351 1.222 1.00 0.00 C ATOM 0 H ALA A 96 -16.411 -8.249 2.334 1.00 0.00 H new ATOM 0 HA ALA A 96 -14.962 -10.657 2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -15.889 -11.264 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.149 -10.545 1.758 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -16.387 -9.574 0.476 1.00 0.00 H new ATOM 1300 N TYR A 97 -12.716 -9.568 2.264 1.00 0.00 N ATOM 1301 CA TYR A 97 -11.396 -9.316 1.702 1.00 0.00 C ATOM 1302 C TYR A 97 -10.678 -10.588 1.249 1.00 0.00 C ATOM 1303 O TYR A 97 -10.855 -11.664 1.822 1.00 0.00 O ATOM 1304 CB TYR A 97 -10.510 -8.621 2.734 1.00 0.00 C ATOM 1305 CG TYR A 97 -10.762 -7.151 2.991 1.00 0.00 C ATOM 1306 CD1 TYR A 97 -10.348 -6.218 2.023 1.00 0.00 C ATOM 1307 CD2 TYR A 97 -11.060 -6.712 4.295 1.00 0.00 C ATOM 1308 CE1 TYR A 97 -10.193 -4.866 2.363 1.00 0.00 C ATOM 1309 CE2 TYR A 97 -10.914 -5.355 4.632 1.00 0.00 C ATOM 1310 CZ TYR A 97 -10.480 -4.431 3.665 1.00 0.00 C ATOM 1311 OH TYR A 97 -10.327 -3.114 3.991 1.00 0.00 O ATOM 0 H TYR A 97 -12.724 -9.680 3.278 1.00 0.00 H new ATOM 0 HA TYR A 97 -11.560 -8.687 0.827 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -10.616 -9.151 3.680 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.473 -8.735 2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.149 -6.544 1.013 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -11.401 -7.418 5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -9.852 -4.159 1.621 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -11.136 -5.022 5.635 1.00 0.00 H new ATOM 0 HH TYR A 97 -9.624 -3.024 4.668 1.00 0.00 H new ATOM 1320 N LYS A 98 -9.807 -10.425 0.247 1.00 0.00 N ATOM 1321 CA LYS A 98 -8.979 -11.455 -0.352 1.00 0.00 C ATOM 1322 C LYS A 98 -7.606 -10.847 -0.657 1.00 0.00 C ATOM 1323 O LYS A 98 -7.514 -9.789 -1.283 1.00 0.00 O ATOM 1324 CB LYS A 98 -9.695 -11.959 -1.615 1.00 0.00 C ATOM 1325 CG LYS A 98 -9.357 -13.384 -2.082 1.00 0.00 C ATOM 1326 CD LYS A 98 -7.943 -13.594 -2.641 1.00 0.00 C ATOM 1327 CE LYS A 98 -7.584 -12.609 -3.768 1.00 0.00 C ATOM 1328 NZ LYS A 98 -6.272 -12.920 -4.370 1.00 0.00 N ATOM 0 H LYS A 98 -9.659 -9.514 -0.187 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.826 -12.306 0.312 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -10.770 -11.905 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.469 -11.272 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.498 -14.063 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.076 -13.673 -2.849 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.220 -13.489 -1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.856 -14.613 -3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.354 -12.642 -4.538 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.571 -11.593 -3.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.901 -12.075 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.609 -13.213 -3.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.380 -13.691 -5.060 1.00 0.00 H new ATOM 1338 N THR A 99 -6.545 -11.526 -0.213 1.00 0.00 N ATOM 1339 CA THR A 99 -5.158 -11.133 -0.428 1.00 0.00 C ATOM 1340 C THR A 99 -4.634 -11.654 -1.767 1.00 0.00 C ATOM 1341 O THR A 99 -4.877 -12.808 -2.122 1.00 0.00 O ATOM 1342 CB THR A 99 -4.307 -11.695 0.713 1.00 0.00 C ATOM 1343 OG1 THR A 99 -4.604 -10.973 1.888 1.00 0.00 O ATOM 1344 CG2 THR A 99 -2.802 -11.671 0.424 1.00 0.00 C ATOM 0 H THR A 99 -6.635 -12.390 0.322 1.00 0.00 H new ATOM 0 HA THR A 99 -5.099 -10.045 -0.448 1.00 0.00 H new ATOM 0 HB THR A 99 -4.561 -12.748 0.832 1.00 0.00 H new ATOM 0 HG1 THR A 99 -5.285 -10.296 1.693 1.00 0.00 H new ATOM 0 HG21 THR A 99 -2.261 -12.084 1.276 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.592 -12.268 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.481 -10.643 0.254 1.00 0.00 H new ATOM 1352 N THR A 100 -3.877 -10.831 -2.488 1.00 0.00 N ATOM 1353 CA THR A 100 -3.104 -11.187 -3.666 1.00 0.00 C ATOM 1354 C THR A 100 -1.636 -10.877 -3.350 1.00 0.00 C ATOM 1355 O THR A 100 -1.222 -9.722 -3.392 1.00 0.00 O ATOM 1356 CB THR A 100 -3.638 -10.386 -4.865 1.00 0.00 C ATOM 1357 OG1 THR A 100 -5.014 -10.673 -5.068 1.00 0.00 O ATOM 1358 CG2 THR A 100 -2.889 -10.722 -6.155 1.00 0.00 C ATOM 0 H THR A 100 -3.784 -9.844 -2.249 1.00 0.00 H new ATOM 0 HA THR A 100 -3.189 -12.243 -3.924 1.00 0.00 H new ATOM 0 HB THR A 100 -3.491 -9.331 -4.634 1.00 0.00 H new ATOM 0 HG1 THR A 100 -5.166 -10.896 -6.010 1.00 0.00 H new ATOM 0 HG21 THR A 100 -3.298 -10.134 -6.977 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.831 -10.489 -6.033 1.00 0.00 H new ATOM 0 HG23 THR A 100 -3.003 -11.783 -6.376 1.00 0.00 H new ATOM 1366 N GLN A 101 -0.847 -11.897 -3.001 1.00 0.00 N ATOM 1367 CA GLN A 101 0.581 -11.727 -2.770 1.00 0.00 C ATOM 1368 C GLN A 101 1.277 -11.619 -4.130 1.00 0.00 C ATOM 1369 O GLN A 101 1.078 -12.506 -4.958 1.00 0.00 O ATOM 1370 CB GLN A 101 1.115 -12.921 -1.959 1.00 0.00 C ATOM 1371 CG GLN A 101 2.491 -12.656 -1.326 1.00 0.00 C ATOM 1372 CD GLN A 101 3.579 -12.303 -2.337 1.00 0.00 C ATOM 1373 OE1 GLN A 101 4.132 -11.211 -2.292 1.00 0.00 O ATOM 1374 NE2 GLN A 101 3.884 -13.209 -3.260 1.00 0.00 N ATOM 0 H GLN A 101 -1.180 -12.852 -2.873 1.00 0.00 H new ATOM 0 HA GLN A 101 0.778 -10.821 -2.197 1.00 0.00 H new ATOM 0 HB2 GLN A 101 0.401 -13.166 -1.172 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.183 -13.793 -2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.399 -11.842 -0.607 1.00 0.00 H new ATOM 0 HG3 GLN A 101 2.800 -13.540 -0.768 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.404 -14.109 -3.269 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.598 -13.004 -3.959 1.00 0.00 H new ATOM 1381 N VAL A 102 2.098 -10.584 -4.353 1.00 0.00 N ATOM 1382 CA VAL A 102 2.958 -10.494 -5.532 1.00 0.00 C ATOM 1383 C VAL A 102 4.236 -9.694 -5.236 1.00 0.00 C ATOM 1384 O VAL A 102 4.211 -8.738 -4.467 1.00 0.00 O ATOM 1385 CB VAL A 102 2.209 -9.859 -6.723 1.00 0.00 C ATOM 1386 CG1 VAL A 102 1.127 -10.761 -7.326 1.00 0.00 C ATOM 1387 CG2 VAL A 102 1.598 -8.497 -6.363 1.00 0.00 C ATOM 0 H VAL A 102 2.182 -9.789 -3.720 1.00 0.00 H new ATOM 0 HA VAL A 102 3.241 -11.512 -5.798 1.00 0.00 H new ATOM 0 HB VAL A 102 2.977 -9.719 -7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 102 0.646 -10.246 -8.157 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.582 -11.684 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.383 -10.996 -6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.081 -8.089 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.889 -8.621 -5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.389 -7.813 -6.057 1.00 0.00 H new ATOM 1397 N GLU A 103 5.342 -10.046 -5.896 1.00 0.00 N ATOM 1398 CA GLU A 103 6.596 -9.302 -5.892 1.00 0.00 C ATOM 1399 C GLU A 103 6.622 -8.251 -7.019 1.00 0.00 C ATOM 1400 O GLU A 103 6.796 -8.611 -8.182 1.00 0.00 O ATOM 1401 CB GLU A 103 7.815 -10.252 -5.886 1.00 0.00 C ATOM 1402 CG GLU A 103 7.561 -11.726 -6.263 1.00 0.00 C ATOM 1403 CD GLU A 103 6.854 -12.535 -5.174 1.00 0.00 C ATOM 1404 OE1 GLU A 103 7.552 -13.026 -4.256 1.00 0.00 O ATOM 1405 OE2 GLU A 103 5.611 -12.637 -5.265 1.00 0.00 O ATOM 0 H GLU A 103 5.386 -10.889 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 103 6.665 -8.738 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.560 -9.851 -6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.256 -10.229 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.961 -11.759 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.515 -12.201 -6.492 1.00 0.00 H new ATOM 1410 N LYS A 104 6.448 -6.959 -6.694 1.00 0.00 N ATOM 1411 CA LYS A 104 6.358 -5.839 -7.638 1.00 0.00 C ATOM 1412 C LYS A 104 7.126 -4.642 -7.070 1.00 0.00 C ATOM 1413 O LYS A 104 7.361 -4.585 -5.866 1.00 0.00 O ATOM 1414 CB LYS A 104 4.894 -5.433 -7.837 1.00 0.00 C ATOM 1415 CG LYS A 104 4.237 -5.998 -9.093 1.00 0.00 C ATOM 1416 CD LYS A 104 3.971 -7.497 -9.011 1.00 0.00 C ATOM 1417 CE LYS A 104 2.681 -7.823 -9.766 1.00 0.00 C ATOM 1418 NZ LYS A 104 2.781 -7.489 -11.201 1.00 0.00 N ATOM 0 H LYS A 104 6.363 -6.657 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 104 6.783 -6.145 -8.594 1.00 0.00 H new ATOM 0 HB2 LYS A 104 4.321 -5.756 -6.968 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.835 -4.345 -7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.295 -5.478 -9.268 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.877 -5.796 -9.952 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.807 -8.050 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.885 -7.806 -7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.454 -8.883 -9.655 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.852 -7.272 -9.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.950 -7.862 -11.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.819 -6.456 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.644 -7.913 -11.597 1.00 0.00 H new ATOM 1428 N HIS A 105 7.512 -3.666 -7.896 1.00 0.00 N ATOM 1429 CA HIS A 105 8.075 -2.425 -7.357 1.00 0.00 C ATOM 1430 C HIS A 105 6.978 -1.725 -6.576 1.00 0.00 C ATOM 1431 O HIS A 105 5.848 -1.712 -7.051 1.00 0.00 O ATOM 1432 CB HIS A 105 8.541 -1.446 -8.439 1.00 0.00 C ATOM 1433 CG HIS A 105 9.389 -2.044 -9.521 1.00 0.00 C ATOM 1434 ND1 HIS A 105 8.895 -2.522 -10.713 1.00 0.00 N ATOM 1435 CD2 HIS A 105 10.752 -1.986 -9.606 1.00 0.00 C ATOM 1436 CE1 HIS A 105 9.939 -2.774 -11.518 1.00 0.00 C ATOM 1437 NE2 HIS A 105 11.077 -2.459 -10.863 1.00 0.00 N ATOM 0 H HIS A 105 7.448 -3.707 -8.913 1.00 0.00 H new ATOM 0 HA HIS A 105 8.941 -2.698 -6.754 1.00 0.00 H new ATOM 0 HB2 HIS A 105 7.663 -0.992 -8.898 1.00 0.00 H new ATOM 0 HB3 HIS A 105 9.103 -0.643 -7.962 1.00 0.00 H new ATOM 0 HD2 HIS A 105 11.436 -1.641 -8.845 1.00 0.00 H new ATOM 0 HE1 HIS A 105 9.879 -3.164 -12.523 1.00 0.00 H new ATOM 0 HE2 HIS A 105 12.022 -2.555 -11.235 1.00 0.00 H new ATOM 1445 N ILE A 106 7.294 -1.109 -5.441 1.00 0.00 N ATOM 1446 CA ILE A 106 6.349 -0.266 -4.726 1.00 0.00 C ATOM 1447 C ILE A 106 6.593 1.180 -5.142 1.00 0.00 C ATOM 1448 O ILE A 106 7.743 1.587 -5.327 1.00 0.00 O ATOM 1449 CB ILE A 106 6.446 -0.487 -3.208 1.00 0.00 C ATOM 1450 CG1 ILE A 106 7.821 -0.144 -2.626 1.00 0.00 C ATOM 1451 CG2 ILE A 106 6.063 -1.942 -2.921 1.00 0.00 C ATOM 1452 CD1 ILE A 106 7.885 -0.209 -1.101 1.00 0.00 C ATOM 0 H ILE A 106 8.208 -1.181 -4.995 1.00 0.00 H new ATOM 0 HA ILE A 106 5.324 -0.530 -4.988 1.00 0.00 H new ATOM 0 HB ILE A 106 5.758 0.198 -2.713 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.560 -0.830 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.101 0.859 -2.949 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.123 -2.129 -1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.045 -2.125 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 106 6.748 -2.609 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 106 8.891 0.047 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 106 7.171 0.497 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.638 -1.218 -0.769 1.00 0.00 H new ATOM 1463 N ILE A 107 5.512 1.938 -5.318 1.00 0.00 N ATOM 1464 CA ILE A 107 5.533 3.333 -5.708 1.00 0.00 C ATOM 1465 C ILE A 107 4.882 4.116 -4.558 1.00 0.00 C ATOM 1466 O ILE A 107 3.720 3.857 -4.225 1.00 0.00 O ATOM 1467 CB ILE A 107 4.797 3.544 -7.049 1.00 0.00 C ATOM 1468 CG1 ILE A 107 5.034 2.448 -8.108 1.00 0.00 C ATOM 1469 CG2 ILE A 107 5.142 4.926 -7.614 1.00 0.00 C ATOM 1470 CD1 ILE A 107 6.465 2.328 -8.630 1.00 0.00 C ATOM 0 H ILE A 107 4.567 1.578 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 107 6.551 3.685 -5.874 1.00 0.00 H new ATOM 0 HB ILE A 107 3.734 3.476 -6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.741 1.488 -7.683 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.373 2.637 -8.954 1.00 0.00 H new ATOM 0 HG21 ILE A 107 4.621 5.072 -8.560 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.833 5.696 -6.907 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.218 4.994 -7.777 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.517 1.528 -9.368 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.764 3.269 -9.093 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.137 2.102 -7.802 1.00 0.00 H new ATOM 1481 N VAL A 108 5.622 5.023 -3.908 1.00 0.00 N ATOM 1482 CA VAL A 108 5.135 5.743 -2.728 1.00 0.00 C ATOM 1483 C VAL A 108 5.247 7.256 -2.898 1.00 0.00 C ATOM 1484 O VAL A 108 6.117 7.748 -3.610 1.00 0.00 O ATOM 1485 CB VAL A 108 5.826 5.269 -1.435 1.00 0.00 C ATOM 1486 CG1 VAL A 108 5.625 3.767 -1.209 1.00 0.00 C ATOM 1487 CG2 VAL A 108 7.318 5.621 -1.411 1.00 0.00 C ATOM 0 H VAL A 108 6.570 5.276 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 108 4.076 5.505 -2.632 1.00 0.00 H new ATOM 0 HB VAL A 108 5.349 5.806 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 108 6.126 3.467 -0.288 1.00 0.00 H new ATOM 0 HG12 VAL A 108 4.560 3.550 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 108 6.046 3.213 -2.048 1.00 0.00 H new ATOM 0 HG21 VAL A 108 7.761 5.266 -0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.818 5.145 -2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.438 6.702 -1.481 1.00 0.00 H new ATOM 1497 N ALA A 109 4.358 7.987 -2.225 1.00 0.00 N ATOM 1498 CA ALA A 109 4.244 9.434 -2.265 1.00 0.00 C ATOM 1499 C ALA A 109 5.170 10.039 -1.210 1.00 0.00 C ATOM 1500 O ALA A 109 4.916 9.885 -0.014 1.00 0.00 O ATOM 1501 CB ALA A 109 2.794 9.793 -1.965 1.00 0.00 C ATOM 0 H ALA A 109 3.667 7.559 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 109 4.530 9.824 -3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 109 2.675 10.876 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA A 109 2.145 9.341 -2.715 1.00 0.00 H new ATOM 0 HB3 ALA A 109 2.523 9.419 -0.978 1.00 0.00 H new ATOM 1507 N CYS A 110 6.240 10.703 -1.650 1.00 0.00 N ATOM 1508 CA CYS A 110 7.339 11.150 -0.802 1.00 0.00 C ATOM 1509 C CYS A 110 7.261 12.650 -0.530 1.00 0.00 C ATOM 1510 O CYS A 110 6.881 13.413 -1.415 1.00 0.00 O ATOM 1511 CB CYS A 110 8.631 10.837 -1.545 1.00 0.00 C ATOM 1512 SG CYS A 110 10.192 11.085 -0.680 1.00 0.00 S ATOM 0 H CYS A 110 6.367 10.950 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 110 7.292 10.641 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 110 8.588 9.795 -1.863 1.00 0.00 H new ATOM 0 HB3 CYS A 110 8.651 11.446 -2.449 1.00 0.00 H new ATOM 1516 N GLY A 111 7.623 13.082 0.680 1.00 0.00 N ATOM 1517 CA GLY A 111 7.601 14.491 1.046 1.00 0.00 C ATOM 1518 C GLY A 111 7.870 14.675 2.538 1.00 0.00 C ATOM 1519 O GLY A 111 8.566 13.867 3.145 1.00 0.00 O ATOM 0 H GLY A 111 7.938 12.464 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 111 8.351 15.032 0.469 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.632 14.921 0.792 1.00 0.00 H new ATOM 1522 N GLY A 112 7.309 15.743 3.118 1.00 0.00 N ATOM 1523 CA GLY A 112 7.266 15.970 4.560 1.00 0.00 C ATOM 1524 C GLY A 112 8.646 16.100 5.208 1.00 0.00 C ATOM 1525 O GLY A 112 8.885 15.466 6.230 1.00 0.00 O ATOM 0 H GLY A 112 6.863 16.488 2.582 1.00 0.00 H new ATOM 0 HA2 GLY A 112 6.695 16.877 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.730 15.147 5.032 1.00 0.00 H new ATOM 1528 N LYS A 113 9.503 16.958 4.629 1.00 0.00 N ATOM 1529 CA LYS A 113 10.923 17.144 4.949 1.00 0.00 C ATOM 1530 C LYS A 113 11.308 16.720 6.383 1.00 0.00 C ATOM 1531 O LYS A 113 10.771 17.292 7.338 1.00 0.00 O ATOM 1532 CB LYS A 113 11.355 18.584 4.626 1.00 0.00 C ATOM 1533 CG LYS A 113 10.748 19.652 5.550 1.00 0.00 C ATOM 1534 CD LYS A 113 11.754 20.115 6.622 1.00 0.00 C ATOM 1535 CE LYS A 113 11.039 20.617 7.883 1.00 0.00 C ATOM 1536 NZ LYS A 113 10.606 19.494 8.741 1.00 0.00 N ATOM 0 H LYS A 113 9.200 17.578 3.878 1.00 0.00 H new ATOM 0 HA LYS A 113 11.482 16.460 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.442 18.646 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.077 18.811 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 113 10.429 20.508 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 113 9.858 19.251 6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 113 12.416 19.289 6.882 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.380 20.910 6.216 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.706 21.270 8.445 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.173 21.214 7.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 9.567 19.471 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 10.956 18.599 8.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.990 19.621 9.699 1.00 0.00 H new ATOM 1546 N PRO A 114 12.248 15.778 6.580 1.00 0.00 N ATOM 1547 CA PRO A 114 13.077 15.132 5.566 1.00 0.00 C ATOM 1548 C PRO A 114 12.244 14.216 4.667 1.00 0.00 C ATOM 1549 O PRO A 114 11.042 14.079 4.863 1.00 0.00 O ATOM 1550 CB PRO A 114 14.134 14.350 6.354 1.00 0.00 C ATOM 1551 CG PRO A 114 13.412 14.009 7.656 1.00 0.00 C ATOM 1552 CD PRO A 114 12.562 15.255 7.899 1.00 0.00 C ATOM 0 HA PRO A 114 13.536 15.856 4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 114 14.452 13.453 5.822 1.00 0.00 H new ATOM 0 HB3 PRO A 114 15.028 14.948 6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 114 12.799 13.113 7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 114 14.111 13.829 8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 114 11.654 15.009 8.449 1.00 0.00 H new ATOM 0 HD3 PRO A 114 13.105 15.990 8.493 1.00 0.00 H new ATOM 1557 N SER A 115 12.859 13.638 3.636 1.00 0.00 N ATOM 1558 CA SER A 115 12.156 12.877 2.624 1.00 0.00 C ATOM 1559 C SER A 115 11.567 11.595 3.227 1.00 0.00 C ATOM 1560 O SER A 115 12.254 10.578 3.306 1.00 0.00 O ATOM 1561 CB SER A 115 13.148 12.580 1.488 1.00 0.00 C ATOM 1562 OG SER A 115 14.470 12.487 2.000 1.00 0.00 O ATOM 0 H SER A 115 13.867 13.690 3.485 1.00 0.00 H new ATOM 0 HA SER A 115 11.314 13.444 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 115 12.876 11.648 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.096 13.367 0.736 1.00 0.00 H new ATOM 0 HG SER A 115 14.986 11.852 1.461 1.00 0.00 H new ATOM 1567 N VAL A 116 10.293 11.633 3.630 1.00 0.00 N ATOM 1568 CA VAL A 116 9.575 10.488 4.178 1.00 0.00 C ATOM 1569 C VAL A 116 8.332 10.209 3.326 1.00 0.00 C ATOM 1570 O VAL A 116 7.735 11.147 2.792 1.00 0.00 O ATOM 1571 CB VAL A 116 9.229 10.731 5.657 1.00 0.00 C ATOM 1572 CG1 VAL A 116 10.516 10.931 6.466 1.00 0.00 C ATOM 1573 CG2 VAL A 116 8.306 11.936 5.876 1.00 0.00 C ATOM 0 H VAL A 116 9.725 12.479 3.582 1.00 0.00 H new ATOM 0 HA VAL A 116 10.208 9.602 4.143 1.00 0.00 H new ATOM 0 HB VAL A 116 8.690 9.847 5.996 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.265 11.103 7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.140 10.041 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.060 11.792 6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.103 12.050 6.941 1.00 0.00 H new ATOM 0 HG22 VAL A 116 8.790 12.838 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.369 11.778 5.342 1.00 0.00 H new ATOM 1583 N PRO A 117 7.936 8.938 3.140 1.00 0.00 N ATOM 1584 CA PRO A 117 6.734 8.632 2.404 1.00 0.00 C ATOM 1585 C PRO A 117 5.536 8.895 3.306 1.00 0.00 C ATOM 1586 O PRO A 117 5.563 8.525 4.478 1.00 0.00 O ATOM 1587 CB PRO A 117 6.879 7.189 1.931 1.00 0.00 C ATOM 1588 CG PRO A 117 7.845 6.546 2.927 1.00 0.00 C ATOM 1589 CD PRO A 117 8.634 7.722 3.524 1.00 0.00 C ATOM 0 HA PRO A 117 6.577 9.255 1.524 1.00 0.00 H new ATOM 0 HB2 PRO A 117 5.917 6.676 1.926 1.00 0.00 H new ATOM 0 HB3 PRO A 117 7.270 7.143 0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 117 7.308 5.997 3.700 1.00 0.00 H new ATOM 0 HG3 PRO A 117 8.508 5.835 2.433 1.00 0.00 H new ATOM 0 HD2 PRO A 117 8.692 7.637 4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 117 9.658 7.730 3.150 1.00 0.00 H new ATOM 1594 N VAL A 118 4.523 9.581 2.770 1.00 0.00 N ATOM 1595 CA VAL A 118 3.313 9.960 3.502 1.00 0.00 C ATOM 1596 C VAL A 118 2.038 9.444 2.824 1.00 0.00 C ATOM 1597 O VAL A 118 0.949 9.571 3.384 1.00 0.00 O ATOM 1598 CB VAL A 118 3.267 11.484 3.727 1.00 0.00 C ATOM 1599 CG1 VAL A 118 4.469 11.959 4.551 1.00 0.00 C ATOM 1600 CG2 VAL A 118 3.232 12.266 2.405 1.00 0.00 C ATOM 0 H VAL A 118 4.521 9.893 1.799 1.00 0.00 H new ATOM 0 HA VAL A 118 3.356 9.477 4.478 1.00 0.00 H new ATOM 0 HB VAL A 118 2.345 11.682 4.273 1.00 0.00 H new ATOM 0 HG11 VAL A 118 4.409 13.038 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.463 11.464 5.522 1.00 0.00 H new ATOM 0 HG13 VAL A 118 5.391 11.713 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 118 3.200 13.335 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.125 12.037 1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.346 11.981 1.837 1.00 0.00 H new ATOM 1610 N HIS A 119 2.147 8.869 1.623 1.00 0.00 N ATOM 1611 CA HIS A 119 1.042 8.218 0.934 1.00 0.00 C ATOM 1612 C HIS A 119 1.616 7.063 0.119 1.00 0.00 C ATOM 1613 O HIS A 119 2.823 6.998 -0.110 1.00 0.00 O ATOM 1614 CB HIS A 119 0.270 9.223 0.058 1.00 0.00 C ATOM 1615 CG HIS A 119 -1.222 9.238 0.263 1.00 0.00 C ATOM 1616 ND1 HIS A 119 -2.171 9.157 -0.742 1.00 0.00 N ATOM 1617 CD2 HIS A 119 -1.866 9.507 1.441 1.00 0.00 C ATOM 1618 CE1 HIS A 119 -3.374 9.381 -0.182 1.00 0.00 C ATOM 1619 NE2 HIS A 119 -3.213 9.592 1.141 1.00 0.00 N ATOM 0 H HIS A 119 3.021 8.845 1.098 1.00 0.00 H new ATOM 0 HA HIS A 119 0.320 7.828 1.651 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.658 10.223 0.253 1.00 0.00 H new ATOM 0 HB3 HIS A 119 0.475 9.000 -0.989 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.411 9.629 2.413 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -4.317 9.390 -0.707 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -3.960 9.782 1.808 1.00 0.00 H new ATOM 1627 N PHE A 120 0.745 6.161 -0.324 1.00 0.00 N ATOM 1628 CA PHE A 120 1.068 5.095 -1.259 1.00 0.00 C ATOM 1629 C PHE A 120 0.498 5.511 -2.611 1.00 0.00 C ATOM 1630 O PHE A 120 -0.582 6.106 -2.630 1.00 0.00 O ATOM 1631 CB PHE A 120 0.426 3.799 -0.758 1.00 0.00 C ATOM 1632 CG PHE A 120 0.465 2.658 -1.745 1.00 0.00 C ATOM 1633 CD1 PHE A 120 1.665 1.961 -1.969 1.00 0.00 C ATOM 1634 CD2 PHE A 120 -0.691 2.320 -2.472 1.00 0.00 C ATOM 1635 CE1 PHE A 120 1.694 0.892 -2.878 1.00 0.00 C ATOM 1636 CE2 PHE A 120 -0.666 1.239 -3.366 1.00 0.00 C ATOM 1637 CZ PHE A 120 0.524 0.519 -3.558 1.00 0.00 C ATOM 0 H PHE A 120 -0.232 6.154 -0.032 1.00 0.00 H new ATOM 0 HA PHE A 120 2.141 4.927 -1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.931 3.489 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.613 4.001 -0.496 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.563 2.248 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.597 2.893 -2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.615 0.357 -3.054 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.560 0.961 -3.905 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.539 -0.325 -4.232 1.00 0.00 H new ATOM 1646 N ASP A 121 1.217 5.233 -3.704 1.00 0.00 N ATOM 1647 CA ASP A 121 0.737 5.489 -5.053 1.00 0.00 C ATOM 1648 C ASP A 121 0.194 4.193 -5.663 1.00 0.00 C ATOM 1649 O ASP A 121 -1.003 4.089 -5.925 1.00 0.00 O ATOM 1650 CB ASP A 121 1.862 6.101 -5.893 1.00 0.00 C ATOM 1651 CG ASP A 121 1.393 6.371 -7.313 1.00 0.00 C ATOM 1652 OD1 ASP A 121 0.704 7.398 -7.481 1.00 0.00 O ATOM 1653 OD2 ASP A 121 1.729 5.551 -8.193 1.00 0.00 O ATOM 0 H ASP A 121 2.150 4.823 -3.670 1.00 0.00 H new ATOM 0 HA ASP A 121 -0.082 6.207 -5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 121 2.199 7.030 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 121 2.717 5.425 -5.910 1.00 0.00 H new ATOM 1657 N ALA A 122 1.061 3.196 -5.861 1.00 0.00 N ATOM 1658 CA ALA A 122 0.736 1.960 -6.565 1.00 0.00 C ATOM 1659 C ALA A 122 1.897 0.982 -6.382 1.00 0.00 C ATOM 1660 O ALA A 122 2.883 1.332 -5.737 1.00 0.00 O ATOM 1661 CB ALA A 122 0.515 2.258 -8.054 1.00 0.00 C ATOM 0 H ALA A 122 2.025 3.229 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 122 -0.178 1.522 -6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 122 0.272 1.334 -8.578 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -0.307 2.965 -8.165 1.00 0.00 H new ATOM 0 HB3 ALA A 122 1.423 2.688 -8.478 1.00 0.00 H new ATOM 1667 N SER A 123 1.807 -0.220 -6.964 1.00 0.00 N ATOM 1668 CA SER A 123 2.944 -1.126 -7.063 1.00 0.00 C ATOM 1669 C SER A 123 2.939 -1.808 -8.428 1.00 0.00 C ATOM 1670 O SER A 123 1.909 -2.355 -8.822 1.00 0.00 O ATOM 1671 CB SER A 123 2.943 -2.189 -5.953 1.00 0.00 C ATOM 1672 OG SER A 123 2.731 -1.598 -4.686 1.00 0.00 O ATOM 0 H SER A 123 0.948 -0.585 -7.375 1.00 0.00 H new ATOM 0 HA SER A 123 3.849 -0.530 -6.943 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.164 -2.925 -6.150 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.893 -2.723 -5.955 1.00 0.00 H new ATOM 0 HG SER A 123 3.094 -0.688 -4.685 1.00 0.00 H new ATOM 1677 N VAL A 124 4.074 -1.801 -9.131 1.00 0.00 N ATOM 1678 CA VAL A 124 4.287 -2.601 -10.324 1.00 0.00 C ATOM 1679 C VAL A 124 5.788 -2.699 -10.605 1.00 0.00 C ATOM 1680 CB VAL A 124 3.384 -2.167 -11.504 1.00 0.00 C ATOM 1681 CG1 VAL A 124 4.091 -1.423 -12.642 1.00 0.00 C ATOM 1682 CG2 VAL A 124 2.676 -3.414 -12.057 1.00 0.00 C ATOM 0 H VAL A 124 4.879 -1.228 -8.878 1.00 0.00 H new ATOM 0 HA VAL A 124 3.952 -3.625 -10.158 1.00 0.00 H new ATOM 0 HB VAL A 124 2.683 -1.439 -11.096 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.366 -1.166 -13.415 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.545 -0.512 -12.254 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.865 -2.061 -13.068 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.034 -3.128 -12.890 1.00 0.00 H new ATOM 0 HG22 VAL A 124 3.420 -4.132 -12.402 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.071 -3.867 -11.272 1.00 0.00 H new TER 1692 VAL A 124