USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 970 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 13 HIS : no HE2:sc= -1.87 K(o=-2.1,f=-0.98) USER MOD Set 1.2: A 43 ASN : amide:sc=-0.00591 K(o=-2.1,f=-3.6) USER MOD Set 1.3: A 44 THR OG1 : rot -163:sc= 1.17 USER MOD Set 1.4: A 117 GLN : amide:sc= -1.36! K(o=-2.1!,f=-0.98) USER MOD Set 2.1: A 25 TYR OH : rot 6:sc= 0.333 USER MOD Set 2.2: A 47 HIS : no HE2:sc= -2.7! C(o=-1.7!,f=-8.6!) USER MOD Set 2.3: A 79 THR OG1 : rot 83:sc= 0.671 USER MOD Set 3.1: A 75 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 102 ASN : amide:sc= -0.7 X(o=-0.7,f=-0.53) USER MOD Set 4.1: A 63 ASN : amide:sc= -0.183 K(o=-0.61,f=0) USER MOD Set 4.2: A 73 LYS NZ :NH3+ 168:sc= -0.425 (180deg=-0.0367) USER MOD Set 5.1: A 17 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0994) USER MOD Set 5.2: A 19 GLN : amide:sc= -0.222 K(o=-0.22,f=-1) USER MOD Set 6.1: A 6 TYR OH : rot 60:sc= 0 USER MOD Set 6.2: A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0632) USER MOD Set 6.3: A 54 LYS NZ :NH3+ 145:sc= -0.0626 (180deg=-1.4!) USER MOD Set 7.1: A 4 SER OG : rot -93:sc= 0.133 USER MOD Set 7.2: A 8 HIS : no HD1:sc= -0.156 X(o=-0.022,f=0.044) USER MOD Single : A 1 GLN : amide:sc= -0.821 X(o=-0.82,f=-0.56) USER MOD Single : A 1 GLN N :NH3+ -163:sc= -0.0988 (180deg=-0.491) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 7 THR OG1 : rot -11:sc= 0.802 USER MOD Single : A 11 THR OG1 : rot -72:sc= 0.136 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 14 TYR OH : rot -12:sc= 0.272 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -178:sc= -0.552 (180deg=-0.567) USER MOD Single : A 36 THR OG1 : rot 22:sc= 0.788 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0929) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -162:sc= -0.0445 (180deg=-0.553) USER MOD Single : A 61 ASN : amide:sc= -0.704 K(o=-0.7,f=-2.8!) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.19) USER MOD Single : A 72 SER OG : rot 170:sc= 0.0967 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot -129:sc= 0.0134 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0774) USER MOD Single : A 84 HIS : no HD1:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 87 SER OG : rot -97:sc= 0.118 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 94 TYR OH : rot -5:sc= 0.139 USER MOD Single : A 97 THR OG1 : rot 172:sc= 0.318 USER MOD Single : A 109 ASN : amide:sc= -0.086 K(o=-0.086,f=-1.4!) USER MOD Single : A 114 HIS : no HD1:sc= -1.66 X(o=-1.7,f=-1.8) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.060 -1.057 -2.410 1.00 0.00 N ATOM 2 CA GLN A 1 3.685 -1.370 -1.105 1.00 0.00 C ATOM 3 C GLN A 1 4.022 -2.817 -1.052 1.00 0.00 C ATOM 4 O GLN A 1 3.208 -3.661 -1.422 1.00 0.00 O ATOM 5 CB GLN A 1 2.723 -1.105 0.068 1.00 0.00 C ATOM 6 CG GLN A 1 2.527 0.376 0.430 1.00 0.00 C ATOM 7 CD GLN A 1 1.631 1.085 -0.588 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.087 1.960 -1.334 1.00 0.00 O ATOM 9 NE2 GLN A 1 0.321 0.695 -0.593 1.00 0.00 N ATOM 0 H1 GLN A 1 3.086 -0.030 -2.570 1.00 0.00 H new ATOM 0 H2 GLN A 1 3.582 -1.539 -3.169 1.00 0.00 H new ATOM 0 H3 GLN A 1 2.072 -1.382 -2.409 1.00 0.00 H new ATOM 0 HA GLN A 1 4.567 -0.736 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 1 1.751 -1.535 -0.175 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.094 -1.632 0.947 1.00 0.00 H new ATOM 0 HG2 GLN A 1 2.085 0.454 1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.496 0.873 0.473 1.00 0.00 H new ATOM 0 HE21 GLN A 1 0.003 -0.033 0.047 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -0.339 1.132 -1.236 1.00 0.00 H new ATOM 20 N ASP A 2 5.247 -3.122 -0.579 1.00 0.00 N ATOM 21 CA ASP A 2 5.707 -4.471 -0.444 1.00 0.00 C ATOM 22 C ASP A 2 6.182 -4.608 0.957 1.00 0.00 C ATOM 23 O ASP A 2 7.371 -4.459 1.238 1.00 0.00 O ATOM 24 CB ASP A 2 6.885 -4.820 -1.370 1.00 0.00 C ATOM 25 CG ASP A 2 6.395 -4.841 -2.810 1.00 0.00 C ATOM 26 OD1 ASP A 2 5.511 -5.682 -3.125 1.00 0.00 O ATOM 27 OD2 ASP A 2 6.898 -4.013 -3.616 1.00 0.00 O ATOM 0 H ASP A 2 5.928 -2.421 -0.286 1.00 0.00 H new ATOM 0 HA ASP A 2 4.888 -5.139 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.684 -4.087 -1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.301 -5.791 -1.100 1.00 0.00 H new ATOM 32 N ASN A 3 5.213 -4.886 1.864 1.00 0.00 N ATOM 33 CA ASN A 3 5.361 -5.076 3.291 1.00 0.00 C ATOM 34 C ASN A 3 5.436 -3.758 4.008 1.00 0.00 C ATOM 35 O ASN A 3 5.590 -3.715 5.228 1.00 0.00 O ATOM 36 CB ASN A 3 6.512 -5.992 3.783 1.00 0.00 C ATOM 37 CG ASN A 3 6.308 -7.434 3.308 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.312 -7.747 2.113 1.00 0.00 O ATOM 39 ND2 ASN A 3 6.151 -8.345 4.317 1.00 0.00 N ATOM 0 H ASN A 3 4.240 -4.987 1.573 1.00 0.00 H new ATOM 0 HA ASN A 3 4.454 -5.626 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.465 -5.615 3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.561 -5.968 4.872 1.00 0.00 H new ATOM 0 HD21 ASN A 3 6.030 -9.334 4.097 1.00 0.00 H new ATOM 0 HD22 ASN A 3 6.155 -8.035 5.289 1.00 0.00 H new ATOM 46 N SER A 4 5.303 -2.644 3.253 1.00 0.00 N ATOM 47 CA SER A 4 5.270 -1.312 3.777 1.00 0.00 C ATOM 48 C SER A 4 3.845 -0.924 4.045 1.00 0.00 C ATOM 49 O SER A 4 3.585 0.134 4.610 1.00 0.00 O ATOM 50 CB SER A 4 5.896 -0.302 2.799 1.00 0.00 C ATOM 51 OG SER A 4 6.099 0.957 3.423 1.00 0.00 O ATOM 0 H SER A 4 5.215 -2.677 2.237 1.00 0.00 H new ATOM 0 HA SER A 4 5.852 -1.295 4.699 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.848 -0.688 2.433 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.247 -0.181 1.932 1.00 0.00 H new ATOM 0 HG SER A 4 5.322 1.532 3.261 1.00 0.00 H new ATOM 57 N ARG A 5 2.886 -1.780 3.629 1.00 0.00 N ATOM 58 CA ARG A 5 1.478 -1.547 3.788 1.00 0.00 C ATOM 59 C ARG A 5 1.149 -1.735 5.238 1.00 0.00 C ATOM 60 O ARG A 5 0.412 -0.940 5.831 1.00 0.00 O ATOM 61 CB ARG A 5 0.641 -2.541 2.953 1.00 0.00 C ATOM 62 CG ARG A 5 -0.624 -1.956 2.299 1.00 0.00 C ATOM 63 CD ARG A 5 -1.658 -1.383 3.271 1.00 0.00 C ATOM 64 NE ARG A 5 -2.937 -1.204 2.530 1.00 0.00 N ATOM 65 CZ ARG A 5 -4.020 -0.635 3.137 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.930 -0.174 4.418 1.00 0.00 N ATOM 67 NH2 ARG A 5 -5.200 -0.531 2.458 1.00 0.00 N ATOM 0 H ARG A 5 3.099 -2.664 3.166 1.00 0.00 H new ATOM 0 HA ARG A 5 1.241 -0.540 3.446 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.276 -2.955 2.169 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.346 -3.370 3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.324 -1.169 1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.101 -2.737 1.706 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.799 -2.055 4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.315 -0.430 3.674 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.005 -1.509 1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -3.050 -0.253 4.928 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -4.743 0.250 4.866 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.270 -0.878 1.501 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -6.011 -0.107 2.908 1.00 0.00 H new ATOM 81 N TYR A 6 1.726 -2.804 5.830 1.00 0.00 N ATOM 82 CA TYR A 6 1.662 -3.085 7.210 1.00 0.00 C ATOM 83 C TYR A 6 2.243 -1.998 8.033 1.00 0.00 C ATOM 84 O TYR A 6 1.571 -1.570 8.958 1.00 0.00 O ATOM 85 CB TYR A 6 2.456 -4.353 7.338 1.00 0.00 C ATOM 86 CG TYR A 6 3.048 -4.662 8.642 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.291 -4.821 9.772 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.365 -5.048 8.627 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.826 -5.442 10.869 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.909 -5.668 9.727 1.00 0.00 C ATOM 91 CZ TYR A 6 4.128 -5.890 10.846 1.00 0.00 C ATOM 92 OH TYR A 6 4.634 -6.601 11.952 1.00 0.00 O ATOM 0 H TYR A 6 2.260 -3.497 5.306 1.00 0.00 H new ATOM 0 HA TYR A 6 0.637 -3.179 7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.807 -5.183 7.060 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.262 -4.319 6.605 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.274 -4.457 9.798 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.973 -4.865 7.753 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.225 -5.581 11.755 1.00 0.00 H new ATOM 0 HE2 TYR A 6 5.943 -5.980 9.717 1.00 0.00 H new ATOM 0 HH TYR A 6 4.101 -7.411 12.092 1.00 0.00 H new ATOM 102 N THR A 7 3.472 -1.524 7.751 1.00 0.00 N ATOM 103 CA THR A 7 4.040 -0.476 8.560 1.00 0.00 C ATOM 104 C THR A 7 3.672 0.935 8.113 1.00 0.00 C ATOM 105 O THR A 7 4.145 1.918 8.675 1.00 0.00 O ATOM 106 CB THR A 7 5.475 -0.759 8.974 1.00 0.00 C ATOM 107 OG1 THR A 7 6.106 0.326 9.638 1.00 0.00 O ATOM 108 CG2 THR A 7 6.326 -1.237 7.794 1.00 0.00 C ATOM 0 H THR A 7 4.062 -1.852 6.986 1.00 0.00 H new ATOM 0 HA THR A 7 3.530 -0.495 9.523 1.00 0.00 H new ATOM 0 HB THR A 7 5.404 -1.567 9.702 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.548 1.128 9.558 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.344 -1.428 8.133 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.901 -2.155 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.339 -0.469 7.020 1.00 0.00 H new ATOM 116 N HIS A 8 2.728 1.093 7.153 1.00 0.00 N ATOM 117 CA HIS A 8 1.972 2.320 7.035 1.00 0.00 C ATOM 118 C HIS A 8 0.933 2.327 8.115 1.00 0.00 C ATOM 119 O HIS A 8 0.740 3.328 8.813 1.00 0.00 O ATOM 120 CB HIS A 8 1.224 2.498 5.702 1.00 0.00 C ATOM 121 CG HIS A 8 2.139 2.763 4.548 1.00 0.00 C ATOM 122 ND1 HIS A 8 1.707 2.706 3.251 1.00 0.00 N ATOM 123 CD2 HIS A 8 3.438 3.146 4.521 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.719 3.039 2.461 1.00 0.00 C ATOM 125 NE2 HIS A 8 3.780 3.310 3.206 1.00 0.00 N ATOM 0 H HIS A 8 2.488 0.380 6.464 1.00 0.00 H new ATOM 0 HA HIS A 8 2.700 3.128 7.106 1.00 0.00 H new ATOM 0 HB2 HIS A 8 0.640 1.601 5.497 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.518 3.323 5.795 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.082 3.294 5.375 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.684 3.082 1.382 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.696 3.593 2.859 1.00 0.00 H new ATOM 134 N PHE A 9 0.268 1.158 8.271 1.00 0.00 N ATOM 135 CA PHE A 9 -0.660 0.879 9.342 1.00 0.00 C ATOM 136 C PHE A 9 0.009 0.982 10.695 1.00 0.00 C ATOM 137 O PHE A 9 -0.646 1.369 11.653 1.00 0.00 O ATOM 138 CB PHE A 9 -1.390 -0.481 9.138 1.00 0.00 C ATOM 139 CG PHE A 9 -1.783 -1.202 10.396 1.00 0.00 C ATOM 140 CD1 PHE A 9 -2.905 -0.822 11.114 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.081 -2.324 10.812 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.287 -1.528 12.238 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.486 -3.047 11.913 1.00 0.00 C ATOM 144 CZ PHE A 9 -2.592 -2.649 12.633 1.00 0.00 C ATOM 0 H PHE A 9 0.380 0.375 7.627 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.433 1.647 9.315 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.288 -0.306 8.545 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.744 -1.135 8.552 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.484 0.031 10.793 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.204 -2.636 10.265 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.139 -1.197 12.813 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.936 -3.927 12.212 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.910 -3.211 13.499 1.00 0.00 H new ATOM 154 N LEU A 10 1.318 0.658 10.814 1.00 0.00 N ATOM 155 CA LEU A 10 2.032 0.740 12.060 1.00 0.00 C ATOM 156 C LEU A 10 2.639 2.073 12.314 1.00 0.00 C ATOM 157 O LEU A 10 2.871 2.381 13.479 1.00 0.00 O ATOM 158 CB LEU A 10 3.187 -0.244 12.192 1.00 0.00 C ATOM 159 CG LEU A 10 2.772 -1.719 12.100 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.908 -2.569 12.617 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.544 -2.153 12.906 1.00 0.00 C ATOM 0 H LEU A 10 1.888 0.334 10.033 1.00 0.00 H new ATOM 0 HA LEU A 10 1.243 0.512 12.777 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.918 -0.035 11.411 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.684 -0.077 13.148 1.00 0.00 H new ATOM 0 HG LEU A 10 2.522 -1.849 11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.630 -3.621 12.559 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.798 -2.394 12.012 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.117 -2.305 13.654 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.364 -3.217 12.750 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.720 -1.966 13.965 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.674 -1.585 12.577 1.00 0.00 H new ATOM 173 N THR A 11 2.923 2.899 11.278 1.00 0.00 N ATOM 174 CA THR A 11 3.409 4.230 11.554 1.00 0.00 C ATOM 175 C THR A 11 2.309 5.063 12.116 1.00 0.00 C ATOM 176 O THR A 11 2.563 5.874 13.002 1.00 0.00 O ATOM 177 CB THR A 11 4.051 4.987 10.419 1.00 0.00 C ATOM 178 OG1 THR A 11 3.306 4.843 9.222 1.00 0.00 O ATOM 179 CG2 THR A 11 5.494 4.482 10.229 1.00 0.00 C ATOM 0 H THR A 11 2.823 2.662 10.291 1.00 0.00 H new ATOM 0 HA THR A 11 4.220 4.056 12.262 1.00 0.00 H new ATOM 0 HB THR A 11 4.068 6.049 10.664 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.412 3.931 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.965 5.025 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.061 4.646 11.146 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.479 3.417 9.997 1.00 0.00 H new ATOM 187 N GLN A 12 1.067 4.853 11.642 1.00 0.00 N ATOM 188 CA GLN A 12 -0.075 5.433 12.294 1.00 0.00 C ATOM 189 C GLN A 12 -0.310 4.797 13.622 1.00 0.00 C ATOM 190 O GLN A 12 -0.252 5.478 14.640 1.00 0.00 O ATOM 191 CB GLN A 12 -1.371 5.276 11.483 1.00 0.00 C ATOM 192 CG GLN A 12 -1.319 5.987 10.131 1.00 0.00 C ATOM 193 CD GLN A 12 -2.693 5.839 9.484 1.00 0.00 C ATOM 194 OE1 GLN A 12 -3.175 4.724 9.253 1.00 0.00 O ATOM 195 NE2 GLN A 12 -3.328 7.014 9.192 1.00 0.00 N ATOM 0 H GLN A 12 0.851 4.290 10.819 1.00 0.00 H new ATOM 0 HA GLN A 12 0.159 6.492 12.397 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.566 4.216 11.322 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.206 5.670 12.063 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.067 7.040 10.260 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.547 5.550 9.497 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -2.878 7.904 9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -4.252 7.001 8.759 1.00 0.00 H new ATOM 204 N HIS A 13 -0.621 3.492 13.640 1.00 0.00 N ATOM 205 CA HIS A 13 -1.208 2.902 14.790 1.00 0.00 C ATOM 206 C HIS A 13 -0.206 2.391 15.770 1.00 0.00 C ATOM 207 O HIS A 13 -0.347 2.681 16.946 1.00 0.00 O ATOM 208 CB HIS A 13 -2.185 1.787 14.411 1.00 0.00 C ATOM 209 CG HIS A 13 -3.330 2.330 13.611 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.480 2.753 14.214 1.00 0.00 N ATOM 211 CD2 HIS A 13 -3.452 2.595 12.289 1.00 0.00 C ATOM 212 CE1 HIS A 13 -5.286 3.242 13.285 1.00 0.00 C ATOM 213 NE2 HIS A 13 -4.685 3.159 12.105 1.00 0.00 N ATOM 0 H HIS A 13 -0.466 2.851 12.861 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.756 3.706 15.282 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -1.664 1.022 13.835 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.562 1.306 15.313 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -4.683 2.701 15.212 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -2.715 2.398 11.524 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.273 3.644 13.459 1.00 0.00 H new ATOM 222 N TYR A 14 0.813 1.610 15.374 1.00 0.00 N ATOM 223 CA TYR A 14 1.651 0.993 16.370 1.00 0.00 C ATOM 224 C TYR A 14 2.603 2.007 16.947 1.00 0.00 C ATOM 225 O TYR A 14 3.432 2.573 16.239 1.00 0.00 O ATOM 226 CB TYR A 14 2.406 -0.220 15.840 1.00 0.00 C ATOM 227 CG TYR A 14 3.322 -0.794 16.855 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.868 -1.493 17.957 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.675 -0.697 16.628 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.765 -2.030 18.855 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.572 -1.257 17.505 1.00 0.00 C ATOM 232 CZ TYR A 14 5.120 -1.921 18.628 1.00 0.00 C ATOM 233 OH TYR A 14 6.033 -2.559 19.493 1.00 0.00 O ATOM 0 H TYR A 14 1.057 1.406 14.405 1.00 0.00 H new ATOM 0 HA TYR A 14 0.995 0.625 17.159 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.692 -0.981 15.525 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.978 0.067 14.957 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.807 -1.619 18.115 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.035 -0.176 15.753 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.405 -2.537 19.738 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.632 -1.178 17.316 1.00 0.00 H new ATOM 0 HH TYR A 14 5.561 -2.874 20.292 1.00 0.00 H new ATOM 243 N ASP A 15 2.489 2.253 18.271 1.00 0.00 N ATOM 244 CA ASP A 15 3.402 3.121 18.951 1.00 0.00 C ATOM 245 C ASP A 15 3.660 2.375 20.199 1.00 0.00 C ATOM 246 O ASP A 15 2.847 2.419 21.114 1.00 0.00 O ATOM 247 CB ASP A 15 2.893 4.528 19.327 1.00 0.00 C ATOM 248 CG ASP A 15 4.070 5.238 19.989 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.119 5.407 19.310 1.00 0.00 O ATOM 250 OD2 ASP A 15 3.933 5.636 21.175 1.00 0.00 O ATOM 0 H ASP A 15 1.765 1.850 18.866 1.00 0.00 H new ATOM 0 HA ASP A 15 4.247 3.334 18.297 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.557 5.070 18.443 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.042 4.467 20.006 1.00 0.00 H new ATOM 255 N ALA A 16 4.793 1.652 20.211 1.00 0.00 N ATOM 256 CA ALA A 16 5.189 0.616 21.134 1.00 0.00 C ATOM 257 C ALA A 16 4.913 0.774 22.601 1.00 0.00 C ATOM 258 O ALA A 16 4.628 -0.219 23.269 1.00 0.00 O ATOM 259 CB ALA A 16 6.670 0.261 20.968 1.00 0.00 C ATOM 0 H ALA A 16 5.510 1.806 19.502 1.00 0.00 H new ATOM 0 HA ALA A 16 4.507 -0.177 20.827 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.938 -0.522 21.677 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.848 -0.093 19.952 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.279 1.145 21.156 1.00 0.00 H new ATOM 265 N LYS A 17 4.981 2.004 23.140 1.00 0.00 N ATOM 266 CA LYS A 17 4.494 2.231 24.471 1.00 0.00 C ATOM 267 C LYS A 17 4.007 3.648 24.551 1.00 0.00 C ATOM 268 O LYS A 17 4.467 4.478 23.769 1.00 0.00 O ATOM 269 CB LYS A 17 5.561 2.002 25.573 1.00 0.00 C ATOM 270 CG LYS A 17 6.842 2.838 25.427 1.00 0.00 C ATOM 271 CD LYS A 17 7.861 2.536 26.536 1.00 0.00 C ATOM 272 CE LYS A 17 9.162 3.332 26.395 1.00 0.00 C ATOM 273 NZ LYS A 17 8.902 4.783 26.521 1.00 0.00 N ATOM 0 H LYS A 17 5.363 2.825 22.671 1.00 0.00 H new ATOM 0 HA LYS A 17 3.699 1.509 24.656 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.112 2.220 26.542 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.834 0.947 25.579 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.295 2.639 24.456 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.587 3.898 25.449 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.411 2.757 27.504 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.092 1.471 26.528 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.872 3.017 27.160 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.620 3.122 25.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.806 5.294 26.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.367 5.113 25.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.350 4.963 27.384 1.00 0.00 H new ATOM 287 N PRO A 18 3.111 3.974 25.473 1.00 0.00 N ATOM 288 CA PRO A 18 2.741 5.327 25.765 1.00 0.00 C ATOM 289 C PRO A 18 3.868 5.994 26.487 1.00 0.00 C ATOM 290 O PRO A 18 4.582 5.341 27.249 1.00 0.00 O ATOM 291 CB PRO A 18 1.559 5.199 26.735 1.00 0.00 C ATOM 292 CG PRO A 18 1.602 3.767 27.263 1.00 0.00 C ATOM 293 CD PRO A 18 2.175 3.042 26.066 1.00 0.00 C ATOM 0 HA PRO A 18 2.503 5.899 24.868 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.643 5.918 27.550 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.615 5.400 26.229 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.234 3.671 28.146 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.614 3.397 27.536 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.673 2.120 26.365 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.392 2.767 25.360 1.00 0.00 H new ATOM 301 N GLN A 19 3.985 7.323 26.285 1.00 0.00 N ATOM 302 CA GLN A 19 4.814 8.146 27.115 1.00 0.00 C ATOM 303 C GLN A 19 3.968 8.479 28.296 1.00 0.00 C ATOM 304 O GLN A 19 4.364 8.283 29.444 1.00 0.00 O ATOM 305 CB GLN A 19 5.276 9.450 26.435 1.00 0.00 C ATOM 306 CG GLN A 19 6.043 9.219 25.124 1.00 0.00 C ATOM 307 CD GLN A 19 7.251 8.316 25.381 1.00 0.00 C ATOM 308 OE1 GLN A 19 7.297 7.173 24.909 1.00 0.00 O ATOM 309 NE2 GLN A 19 8.246 8.858 26.147 1.00 0.00 N ATOM 0 H GLN A 19 3.502 7.829 25.542 1.00 0.00 H new ATOM 0 HA GLN A 19 5.730 7.610 27.362 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.405 10.073 26.232 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.911 10.005 27.125 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.386 8.761 24.384 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.372 10.173 24.712 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.152 9.807 26.509 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.083 8.313 26.356 1.00 0.00 H new ATOM 318 N GLY A 20 2.752 8.965 28.000 1.00 0.00 N ATOM 319 CA GLY A 20 1.694 9.051 28.959 1.00 0.00 C ATOM 320 C GLY A 20 0.519 8.523 28.230 1.00 0.00 C ATOM 321 O GLY A 20 0.625 8.128 27.074 1.00 0.00 O ATOM 0 H GLY A 20 2.496 9.307 27.074 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.911 8.461 29.850 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.534 10.078 29.288 1.00 0.00 H new ATOM 325 N ARG A 21 -0.639 8.509 28.904 1.00 0.00 N ATOM 326 CA ARG A 21 -1.859 8.014 28.326 1.00 0.00 C ATOM 327 C ARG A 21 -2.836 9.125 28.512 1.00 0.00 C ATOM 328 O ARG A 21 -3.913 8.937 29.077 1.00 0.00 O ATOM 329 CB ARG A 21 -2.380 6.722 28.998 1.00 0.00 C ATOM 330 CG ARG A 21 -1.454 5.512 28.775 1.00 0.00 C ATOM 331 CD ARG A 21 -1.801 4.276 29.613 1.00 0.00 C ATOM 332 NE ARG A 21 -3.125 3.749 29.179 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.602 2.579 29.695 1.00 0.00 C ATOM 334 NH1 ARG A 21 -2.848 1.854 30.571 1.00 0.00 N ATOM 335 NH2 ARG A 21 -4.843 2.136 29.342 1.00 0.00 N ATOM 0 H ARG A 21 -0.738 8.844 29.862 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.703 7.738 27.283 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.491 6.895 30.068 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.371 6.491 28.608 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.484 5.239 27.720 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.430 5.810 28.999 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.034 3.512 29.491 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.828 4.535 30.672 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.677 4.265 28.494 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.923 2.186 30.843 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.210 0.980 30.953 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.413 2.679 28.693 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.201 1.262 29.727 1.00 0.00 H new ATOM 349 N ASP A 22 -2.441 10.331 28.050 1.00 0.00 N ATOM 350 CA ASP A 22 -3.160 11.534 28.340 1.00 0.00 C ATOM 351 C ASP A 22 -3.164 12.401 27.116 1.00 0.00 C ATOM 352 O ASP A 22 -2.623 12.027 26.076 1.00 0.00 O ATOM 353 CB ASP A 22 -2.592 12.276 29.571 1.00 0.00 C ATOM 354 CG ASP A 22 -1.072 12.413 29.506 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.561 13.242 28.710 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.398 11.689 30.287 1.00 0.00 O ATOM 0 H ASP A 22 -1.614 10.470 27.469 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.186 11.277 28.603 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.043 13.266 29.637 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.869 11.739 30.478 1.00 0.00 H new ATOM 361 N ASP A 23 -3.802 13.586 27.258 1.00 0.00 N ATOM 362 CA ASP A 23 -4.050 14.596 26.259 1.00 0.00 C ATOM 363 C ASP A 23 -2.793 15.083 25.603 1.00 0.00 C ATOM 364 O ASP A 23 -2.769 15.337 24.398 1.00 0.00 O ATOM 365 CB ASP A 23 -4.747 15.803 26.931 1.00 0.00 C ATOM 366 CG ASP A 23 -5.027 16.957 25.972 1.00 0.00 C ATOM 367 OD1 ASP A 23 -6.025 16.864 25.209 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.274 17.966 26.019 1.00 0.00 O ATOM 0 H ASP A 23 -4.181 13.863 28.163 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.675 14.144 25.489 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.687 15.471 27.371 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.123 16.164 27.748 1.00 0.00 H new ATOM 373 N ARG A 24 -1.721 15.223 26.406 1.00 0.00 N ATOM 374 CA ARG A 24 -0.460 15.756 25.979 1.00 0.00 C ATOM 375 C ARG A 24 0.338 14.723 25.237 1.00 0.00 C ATOM 376 O ARG A 24 1.193 15.080 24.428 1.00 0.00 O ATOM 377 CB ARG A 24 0.363 16.284 27.174 1.00 0.00 C ATOM 378 CG ARG A 24 1.522 17.217 26.790 1.00 0.00 C ATOM 379 CD ARG A 24 2.264 17.797 28.002 1.00 0.00 C ATOM 380 NE ARG A 24 1.318 18.625 28.813 1.00 0.00 N ATOM 381 CZ ARG A 24 1.121 19.958 28.575 1.00 0.00 C ATOM 382 NH1 ARG A 24 1.783 20.596 27.567 1.00 0.00 N ATOM 383 NH2 ARG A 24 0.245 20.657 29.355 1.00 0.00 N ATOM 0 H ARG A 24 -1.732 14.955 27.390 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.675 16.589 25.309 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.305 16.816 27.852 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.765 15.434 27.725 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.230 16.668 26.168 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.134 18.036 26.185 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.674 16.991 28.611 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.105 18.406 27.670 1.00 0.00 H new ATOM 0 HE ARG A 24 0.801 18.180 29.571 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.436 20.079 26.978 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.625 21.590 27.402 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.256 20.185 30.108 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.092 21.651 29.185 1.00 0.00 H new ATOM 397 N TYR A 25 0.069 13.419 25.483 1.00 0.00 N ATOM 398 CA TYR A 25 0.741 12.355 24.786 1.00 0.00 C ATOM 399 C TYR A 25 0.148 12.258 23.426 1.00 0.00 C ATOM 400 O TYR A 25 0.878 12.019 22.470 1.00 0.00 O ATOM 401 CB TYR A 25 0.618 10.979 25.476 1.00 0.00 C ATOM 402 CG TYR A 25 0.784 9.818 24.528 1.00 0.00 C ATOM 403 CD1 TYR A 25 2.015 9.455 23.997 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.322 9.043 24.219 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.130 8.351 23.175 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.209 7.948 23.388 1.00 0.00 C ATOM 407 CZ TYR A 25 1.017 7.597 22.873 1.00 0.00 C ATOM 408 OH TYR A 25 1.125 6.467 22.038 1.00 0.00 O ATOM 0 H TYR A 25 -0.617 13.102 26.168 1.00 0.00 H new ATOM 0 HA TYR A 25 1.803 12.598 24.767 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.369 10.907 26.263 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.357 10.908 25.958 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.891 10.042 24.229 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.285 9.300 24.634 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.093 8.079 22.769 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.084 7.365 23.141 1.00 0.00 H new ATOM 0 HH TYR A 25 2.069 6.303 21.831 1.00 0.00 H new ATOM 418 N CYS A 26 -1.187 12.432 23.322 1.00 0.00 N ATOM 419 CA CYS A 26 -1.883 12.317 22.073 1.00 0.00 C ATOM 420 C CYS A 26 -1.569 13.435 21.139 1.00 0.00 C ATOM 421 O CYS A 26 -1.491 13.224 19.930 1.00 0.00 O ATOM 422 CB CYS A 26 -3.398 12.321 22.222 1.00 0.00 C ATOM 423 SG CYS A 26 -4.050 10.737 22.789 1.00 0.00 S ATOM 0 H CYS A 26 -1.790 12.655 24.114 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.539 11.360 21.680 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.687 13.101 22.927 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.852 12.573 21.264 1.00 0.00 H new ATOM 428 N GLU A 27 -1.382 14.650 21.687 1.00 0.00 N ATOM 429 CA GLU A 27 -1.044 15.794 20.890 1.00 0.00 C ATOM 430 C GLU A 27 0.384 15.700 20.449 1.00 0.00 C ATOM 431 O GLU A 27 0.705 16.102 19.331 1.00 0.00 O ATOM 432 CB GLU A 27 -1.251 17.137 21.616 1.00 0.00 C ATOM 433 CG GLU A 27 -2.115 18.126 20.817 1.00 0.00 C ATOM 434 CD GLU A 27 -1.389 18.551 19.545 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.339 19.237 19.666 1.00 0.00 O ATOM 436 OE2 GLU A 27 -1.871 18.192 18.438 1.00 0.00 O ATOM 0 H GLU A 27 -1.465 14.842 22.685 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.723 15.781 20.038 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.720 16.952 22.583 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.280 17.590 21.814 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.069 17.664 20.563 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.337 19.001 21.427 1.00 0.00 H new ATOM 443 N SER A 28 1.267 15.155 21.317 1.00 0.00 N ATOM 444 CA SER A 28 2.663 15.008 21.016 1.00 0.00 C ATOM 445 C SER A 28 2.905 13.958 19.977 1.00 0.00 C ATOM 446 O SER A 28 3.840 14.091 19.190 1.00 0.00 O ATOM 447 CB SER A 28 3.514 14.646 22.247 1.00 0.00 C ATOM 448 OG SER A 28 4.891 14.589 21.908 1.00 0.00 O ATOM 0 H SER A 28 1.006 14.812 22.241 1.00 0.00 H new ATOM 0 HA SER A 28 2.966 15.988 20.646 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.358 15.385 23.033 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.193 13.684 22.647 1.00 0.00 H new ATOM 0 HG SER A 28 5.415 14.359 22.704 1.00 0.00 H new ATOM 454 N ILE A 29 2.067 12.899 19.951 1.00 0.00 N ATOM 455 CA ILE A 29 2.265 11.815 19.032 1.00 0.00 C ATOM 456 C ILE A 29 1.695 12.137 17.692 1.00 0.00 C ATOM 457 O ILE A 29 2.245 11.702 16.685 1.00 0.00 O ATOM 458 CB ILE A 29 1.909 10.419 19.524 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.470 9.373 18.550 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.406 10.179 19.748 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.712 8.034 19.214 1.00 0.00 C ATOM 0 H ILE A 29 1.257 12.794 20.563 1.00 0.00 H new ATOM 0 HA ILE A 29 3.348 11.737 18.938 1.00 0.00 H new ATOM 0 HB ILE A 29 2.367 10.322 20.508 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.774 9.243 17.721 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.405 9.740 18.127 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.249 9.159 20.098 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.033 10.880 20.495 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.130 10.328 18.811 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.108 7.331 18.481 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.429 8.155 20.026 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.773 7.651 19.613 1.00 0.00 H new ATOM 473 N MET A 30 0.616 12.945 17.627 1.00 0.00 N ATOM 474 CA MET A 30 0.140 13.359 16.336 1.00 0.00 C ATOM 475 C MET A 30 0.975 14.480 15.782 1.00 0.00 C ATOM 476 O MET A 30 0.941 14.708 14.578 1.00 0.00 O ATOM 477 CB MET A 30 -1.327 13.798 16.260 1.00 0.00 C ATOM 478 CG MET A 30 -2.286 12.634 15.976 1.00 0.00 C ATOM 479 SD MET A 30 -3.063 11.890 17.430 1.00 0.00 S ATOM 480 CE MET A 30 -4.276 11.015 16.401 1.00 0.00 C ATOM 0 H MET A 30 0.093 13.299 18.428 1.00 0.00 H new ATOM 0 HA MET A 30 0.226 12.446 15.746 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.608 14.272 17.200 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.436 14.550 15.479 1.00 0.00 H new ATOM 0 HG2 MET A 30 -3.071 12.988 15.308 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.739 11.858 15.441 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.962 10.460 17.040 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.837 11.736 15.807 1.00 0.00 H new ATOM 0 HE3 MET A 30 -3.758 10.323 15.737 1.00 0.00 H new ATOM 490 N ARG A 31 1.750 15.201 16.625 1.00 0.00 N ATOM 491 CA ARG A 31 2.716 16.154 16.140 1.00 0.00 C ATOM 492 C ARG A 31 3.921 15.466 15.569 1.00 0.00 C ATOM 493 O ARG A 31 4.489 15.957 14.593 1.00 0.00 O ATOM 494 CB ARG A 31 3.258 17.094 17.234 1.00 0.00 C ATOM 495 CG ARG A 31 2.371 18.319 17.509 1.00 0.00 C ATOM 496 CD ARG A 31 2.395 19.395 16.413 1.00 0.00 C ATOM 497 NE ARG A 31 3.806 19.836 16.176 1.00 0.00 N ATOM 498 CZ ARG A 31 4.382 20.872 16.858 1.00 0.00 C ATOM 499 NH1 ARG A 31 3.686 21.561 17.809 1.00 0.00 N ATOM 500 NH2 ARG A 31 5.676 21.216 16.588 1.00 0.00 N ATOM 0 H ARG A 31 1.708 15.125 17.641 1.00 0.00 H new ATOM 0 HA ARG A 31 2.171 16.728 15.391 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.374 16.528 18.159 1.00 0.00 H new ATOM 0 HB3 ARG A 31 4.251 17.437 16.944 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.343 17.982 17.644 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.684 18.772 18.450 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.967 19.000 15.492 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.782 20.246 16.711 1.00 0.00 H new ATOM 0 HE ARG A 31 4.361 19.343 15.476 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.721 21.306 18.020 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.131 22.331 18.308 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.204 20.702 15.883 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.114 21.987 17.091 1.00 0.00 H new ATOM 514 N ARG A 32 4.353 14.340 16.185 1.00 0.00 N ATOM 515 CA ARG A 32 5.563 13.658 15.805 1.00 0.00 C ATOM 516 C ARG A 32 5.358 12.926 14.512 1.00 0.00 C ATOM 517 O ARG A 32 6.155 13.071 13.585 1.00 0.00 O ATOM 518 CB ARG A 32 6.029 12.631 16.859 1.00 0.00 C ATOM 519 CG ARG A 32 7.518 12.717 17.245 1.00 0.00 C ATOM 520 CD ARG A 32 8.521 12.443 16.117 1.00 0.00 C ATOM 521 NE ARG A 32 8.266 11.076 15.574 1.00 0.00 N ATOM 522 CZ ARG A 32 8.844 10.667 14.406 1.00 0.00 C ATOM 523 NH1 ARG A 32 9.703 11.489 13.737 1.00 0.00 N ATOM 524 NH2 ARG A 32 8.558 9.431 13.903 1.00 0.00 N ATOM 0 H ARG A 32 3.855 13.897 16.957 1.00 0.00 H new ATOM 0 HA ARG A 32 6.328 14.428 15.709 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.429 12.761 17.759 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.825 11.629 16.482 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.713 13.713 17.644 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.706 12.008 18.052 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.417 13.189 15.329 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.542 12.517 16.492 1.00 0.00 H new ATOM 0 HE ARG A 32 7.652 10.439 16.082 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.917 12.415 14.109 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.132 11.178 12.865 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.914 8.815 14.399 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.988 9.123 13.031 1.00 0.00 H new ATOM 538 N ARG A 33 4.286 12.108 14.444 1.00 0.00 N ATOM 539 CA ARG A 33 3.961 11.312 13.292 1.00 0.00 C ATOM 540 C ARG A 33 3.436 12.173 12.187 1.00 0.00 C ATOM 541 O ARG A 33 3.718 11.927 11.015 1.00 0.00 O ATOM 542 CB ARG A 33 2.876 10.275 13.634 1.00 0.00 C ATOM 543 CG ARG A 33 3.311 8.802 13.626 1.00 0.00 C ATOM 544 CD ARG A 33 4.666 8.442 14.260 1.00 0.00 C ATOM 545 NE ARG A 33 4.743 8.915 15.674 1.00 0.00 N ATOM 546 CZ ARG A 33 5.777 8.505 16.468 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.669 7.578 16.014 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.936 9.033 17.716 1.00 0.00 N ATOM 0 H ARG A 33 3.625 11.997 15.213 1.00 0.00 H new ATOM 0 HA ARG A 33 4.876 10.810 12.978 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.480 10.509 14.622 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.056 10.393 12.926 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.540 8.224 14.136 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.328 8.465 12.589 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.811 7.362 14.227 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.473 8.890 13.679 1.00 0.00 H new ATOM 0 HE ARG A 33 4.028 9.541 16.045 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.566 7.187 15.077 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.439 7.276 16.611 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.282 9.736 18.059 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.709 8.724 18.306 1.00 0.00 H new ATOM 562 N GLY A 34 2.663 13.207 12.559 1.00 0.00 N ATOM 563 CA GLY A 34 2.092 14.148 11.640 1.00 0.00 C ATOM 564 C GLY A 34 0.872 13.556 11.049 1.00 0.00 C ATOM 565 O GLY A 34 0.800 13.302 9.847 1.00 0.00 O ATOM 0 H GLY A 34 2.425 13.397 13.533 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.849 15.078 12.154 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.809 14.394 10.857 1.00 0.00 H new ATOM 569 N LEU A 35 -0.138 13.377 11.921 1.00 0.00 N ATOM 570 CA LEU A 35 -1.480 13.139 11.498 1.00 0.00 C ATOM 571 C LEU A 35 -2.208 14.351 11.970 1.00 0.00 C ATOM 572 O LEU A 35 -3.418 14.309 12.176 1.00 0.00 O ATOM 573 CB LEU A 35 -2.165 11.949 12.190 1.00 0.00 C ATOM 574 CG LEU A 35 -1.370 10.623 12.218 1.00 0.00 C ATOM 575 CD1 LEU A 35 -2.127 9.548 13.017 1.00 0.00 C ATOM 576 CD2 LEU A 35 -1.034 10.109 10.807 1.00 0.00 C ATOM 0 H LEU A 35 -0.019 13.398 12.934 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.487 12.932 10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.391 12.234 13.217 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.118 11.766 11.693 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.424 10.833 12.717 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.548 8.624 13.023 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.273 9.891 14.041 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.097 9.366 12.554 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.476 9.176 10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.957 9.936 10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.431 10.851 10.283 1.00 0.00 H new ATOM 588 N THR A 36 -1.458 15.460 12.174 1.00 0.00 N ATOM 589 CA THR A 36 -2.001 16.667 12.746 1.00 0.00 C ATOM 590 C THR A 36 -2.317 17.637 11.646 1.00 0.00 C ATOM 591 O THR A 36 -2.768 18.755 11.888 1.00 0.00 O ATOM 592 CB THR A 36 -1.088 17.279 13.796 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.700 18.368 14.472 1.00 0.00 O ATOM 594 CG2 THR A 36 0.261 17.723 13.199 1.00 0.00 C ATOM 0 H THR A 36 -0.467 15.521 11.941 1.00 0.00 H new ATOM 0 HA THR A 36 -2.921 16.413 13.273 1.00 0.00 H new ATOM 0 HB THR A 36 -0.900 16.490 14.524 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.674 18.298 14.390 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.882 18.154 13.984 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.769 16.861 12.767 1.00 0.00 H new ATOM 0 HG23 THR A 36 0.088 18.468 12.423 1.00 0.00 H new ATOM 602 N SER A 37 -2.104 17.216 10.387 1.00 0.00 N ATOM 603 CA SER A 37 -2.434 18.058 9.271 1.00 0.00 C ATOM 604 C SER A 37 -2.880 17.160 8.157 1.00 0.00 C ATOM 605 O SER A 37 -2.018 16.551 7.526 1.00 0.00 O ATOM 606 CB SER A 37 -1.242 18.892 8.770 1.00 0.00 C ATOM 607 OG SER A 37 -1.631 19.667 7.646 1.00 0.00 O ATOM 0 H SER A 37 -1.710 16.308 10.140 1.00 0.00 H new ATOM 0 HA SER A 37 -3.205 18.760 9.589 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.884 19.545 9.566 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.415 18.235 8.501 1.00 0.00 H new ATOM 0 HG SER A 37 -0.868 20.196 7.334 1.00 0.00 H new ATOM 613 N PRO A 38 -4.158 17.021 7.832 1.00 0.00 N ATOM 614 CA PRO A 38 -5.321 17.389 8.610 1.00 0.00 C ATOM 615 C PRO A 38 -5.425 16.424 9.758 1.00 0.00 C ATOM 616 O PRO A 38 -4.858 15.333 9.668 1.00 0.00 O ATOM 617 CB PRO A 38 -6.493 17.173 7.647 1.00 0.00 C ATOM 618 CG PRO A 38 -6.005 16.103 6.666 1.00 0.00 C ATOM 619 CD PRO A 38 -4.505 16.377 6.580 1.00 0.00 C ATOM 0 HA PRO A 38 -5.291 18.405 9.004 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.386 16.844 8.179 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.753 18.096 7.128 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.212 15.097 7.030 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.489 16.196 5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.944 15.452 6.445 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.271 17.018 5.730 1.00 0.00 H new ATOM 627 N CYS A 39 -6.150 16.816 10.838 1.00 0.00 N ATOM 628 CA CYS A 39 -6.350 16.001 11.991 1.00 0.00 C ATOM 629 C CYS A 39 -7.080 14.752 11.618 1.00 0.00 C ATOM 630 O CYS A 39 -8.168 14.805 11.041 1.00 0.00 O ATOM 631 CB CYS A 39 -7.258 16.678 13.024 1.00 0.00 C ATOM 632 SG CYS A 39 -6.828 18.403 13.396 1.00 0.00 S ATOM 0 H CYS A 39 -6.605 17.727 10.900 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.356 15.814 12.397 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.286 16.644 12.662 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.226 16.102 13.949 1.00 0.00 H new ATOM 637 N LYS A 40 -6.478 13.595 11.961 1.00 0.00 N ATOM 638 CA LYS A 40 -7.142 12.334 11.835 1.00 0.00 C ATOM 639 C LYS A 40 -8.054 12.284 13.012 1.00 0.00 C ATOM 640 O LYS A 40 -7.642 12.603 14.127 1.00 0.00 O ATOM 641 CB LYS A 40 -6.179 11.132 11.842 1.00 0.00 C ATOM 642 CG LYS A 40 -6.886 9.792 11.594 1.00 0.00 C ATOM 643 CD LYS A 40 -5.918 8.662 11.219 1.00 0.00 C ATOM 644 CE LYS A 40 -6.605 7.297 11.126 1.00 0.00 C ATOM 645 NZ LYS A 40 -7.657 7.314 10.088 1.00 0.00 N ATOM 0 H LYS A 40 -5.528 13.535 12.327 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.659 12.261 10.878 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.417 11.281 11.077 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.664 11.092 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.438 9.508 12.490 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.617 9.916 10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.450 8.894 10.262 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.121 8.612 11.960 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.868 6.528 10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -7.042 7.037 12.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.018 6.349 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -8.435 7.933 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.259 7.671 9.196 1.00 0.00 H new ATOM 659 N ASP A 41 -9.327 11.918 12.753 1.00 0.00 N ATOM 660 CA ASP A 41 -10.408 12.089 13.680 1.00 0.00 C ATOM 661 C ASP A 41 -10.318 11.159 14.834 1.00 0.00 C ATOM 662 O ASP A 41 -10.567 11.570 15.964 1.00 0.00 O ATOM 663 CB ASP A 41 -11.780 11.881 13.020 1.00 0.00 C ATOM 664 CG ASP A 41 -11.857 12.788 11.800 1.00 0.00 C ATOM 665 OD1 ASP A 41 -11.787 14.033 11.976 1.00 0.00 O ATOM 666 OD2 ASP A 41 -11.982 12.243 10.671 1.00 0.00 O ATOM 0 H ASP A 41 -9.612 11.490 11.872 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.316 13.118 14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.909 10.839 12.729 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.580 12.117 13.722 1.00 0.00 H new ATOM 671 N ILE A 42 -9.972 9.885 14.585 1.00 0.00 N ATOM 672 CA ILE A 42 -9.817 8.970 15.670 1.00 0.00 C ATOM 673 C ILE A 42 -8.742 8.029 15.227 1.00 0.00 C ATOM 674 O ILE A 42 -8.803 7.471 14.133 1.00 0.00 O ATOM 675 CB ILE A 42 -11.130 8.310 16.085 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.978 7.552 17.418 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.739 7.446 14.959 1.00 0.00 C ATOM 678 CD1 ILE A 42 -12.315 7.380 18.146 1.00 0.00 C ATOM 0 H ILE A 42 -9.803 9.496 13.658 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.523 9.466 16.595 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.855 9.105 16.259 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.542 6.571 17.228 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -10.283 8.091 18.062 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.671 7.000 15.306 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.938 8.071 14.088 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -11.038 6.657 14.687 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -12.154 6.840 19.079 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.740 8.360 18.362 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -13.003 6.817 17.515 1.00 0.00 H new ATOM 690 N ASN A 43 -7.696 7.877 16.065 1.00 0.00 N ATOM 691 CA ASN A 43 -6.592 7.029 15.701 1.00 0.00 C ATOM 692 C ASN A 43 -6.094 6.396 16.947 1.00 0.00 C ATOM 693 O ASN A 43 -5.778 7.069 17.926 1.00 0.00 O ATOM 694 CB ASN A 43 -5.418 7.762 15.027 1.00 0.00 C ATOM 695 CG ASN A 43 -4.412 6.752 14.473 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.691 6.059 13.489 1.00 0.00 O ATOM 697 ND2 ASN A 43 -3.205 6.694 15.111 1.00 0.00 N ATOM 0 H ASN A 43 -7.612 8.329 16.975 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.963 6.313 14.967 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.790 8.395 14.221 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.928 8.417 15.747 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.482 6.056 14.778 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.027 7.289 15.920 1.00 0.00 H new ATOM 704 N THR A 44 -6.020 5.057 16.907 1.00 0.00 N ATOM 705 CA THR A 44 -5.681 4.262 18.041 1.00 0.00 C ATOM 706 C THR A 44 -4.220 3.974 18.004 1.00 0.00 C ATOM 707 O THR A 44 -3.746 3.321 17.077 1.00 0.00 O ATOM 708 CB THR A 44 -6.435 2.970 17.973 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.794 3.275 17.719 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.345 2.212 19.298 1.00 0.00 C ATOM 0 H THR A 44 -6.201 4.513 16.064 1.00 0.00 H new ATOM 0 HA THR A 44 -5.935 4.791 18.959 1.00 0.00 H new ATOM 0 HB THR A 44 -6.009 2.346 17.188 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.350 2.497 17.934 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.901 1.278 19.221 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.301 1.995 19.523 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.769 2.822 20.096 1.00 0.00 H new ATOM 718 N PHE A 45 -3.477 4.430 19.037 1.00 0.00 N ATOM 719 CA PHE A 45 -2.092 4.075 19.143 1.00 0.00 C ATOM 720 C PHE A 45 -2.016 2.828 19.975 1.00 0.00 C ATOM 721 O PHE A 45 -2.379 2.838 21.147 1.00 0.00 O ATOM 722 CB PHE A 45 -1.143 5.156 19.691 1.00 0.00 C ATOM 723 CG PHE A 45 -1.140 6.323 18.746 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.264 6.446 17.672 1.00 0.00 C ATOM 725 CD2 PHE A 45 -2.061 7.324 18.961 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.327 7.547 16.839 1.00 0.00 C ATOM 727 CE2 PHE A 45 -2.153 8.399 18.101 1.00 0.00 C ATOM 728 CZ PHE A 45 -1.284 8.514 17.037 1.00 0.00 C ATOM 0 H PHE A 45 -3.827 5.031 19.783 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.728 3.930 18.126 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.466 5.474 20.682 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.135 4.754 19.798 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.470 5.676 17.488 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.720 7.267 19.814 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.379 7.648 16.028 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.909 9.153 18.262 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.354 9.356 16.365 1.00 0.00 H new ATOM 738 N ILE A 46 -1.554 1.713 19.361 1.00 0.00 N ATOM 739 CA ILE A 46 -1.538 0.406 19.952 1.00 0.00 C ATOM 740 C ILE A 46 -0.201 0.291 20.591 1.00 0.00 C ATOM 741 O ILE A 46 0.775 0.815 20.074 1.00 0.00 O ATOM 742 CB ILE A 46 -1.510 -0.698 18.910 1.00 0.00 C ATOM 743 CG1 ILE A 46 -2.408 -0.438 17.677 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.780 -2.068 19.550 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.900 -0.288 17.967 1.00 0.00 C ATOM 0 H ILE A 46 -1.177 1.727 18.413 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.412 0.303 20.596 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.496 -0.702 18.509 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.060 0.468 17.181 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.274 -1.259 16.973 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.754 -2.840 18.781 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.016 -2.276 20.299 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.761 -2.061 20.024 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.436 -0.109 17.035 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.274 -1.201 18.431 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.057 0.553 18.642 1.00 0.00 H new ATOM 757 N HIS A 47 -0.127 -0.418 21.725 1.00 0.00 N ATOM 758 CA HIS A 47 1.084 -0.577 22.474 1.00 0.00 C ATOM 759 C HIS A 47 1.216 -2.006 22.851 1.00 0.00 C ATOM 760 O HIS A 47 0.249 -2.633 23.284 1.00 0.00 O ATOM 761 CB HIS A 47 1.056 0.149 23.818 1.00 0.00 C ATOM 762 CG HIS A 47 0.319 1.444 23.765 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.715 2.492 22.969 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.775 1.885 24.446 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.139 3.509 23.199 1.00 0.00 C ATOM 766 NE2 HIS A 47 -1.060 3.192 24.089 1.00 0.00 N ATOM 0 H HIS A 47 -0.928 -0.896 22.137 1.00 0.00 H new ATOM 0 HA HIS A 47 1.883 -0.188 21.843 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.592 -0.496 24.564 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.079 0.332 24.147 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.506 2.499 22.325 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.337 1.301 25.160 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.077 4.471 22.712 1.00 0.00 H new ATOM 774 N GLY A 48 2.442 -2.544 22.748 1.00 0.00 N ATOM 775 CA GLY A 48 2.676 -3.865 23.240 1.00 0.00 C ATOM 776 C GLY A 48 3.862 -4.389 22.523 1.00 0.00 C ATOM 777 O GLY A 48 4.714 -3.623 22.076 1.00 0.00 O ATOM 0 H GLY A 48 3.252 -2.081 22.336 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.851 -3.851 24.316 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.808 -4.501 23.066 1.00 0.00 H new ATOM 781 N ASN A 49 3.922 -5.728 22.408 1.00 0.00 N ATOM 782 CA ASN A 49 4.955 -6.381 21.667 1.00 0.00 C ATOM 783 C ASN A 49 4.563 -6.353 20.236 1.00 0.00 C ATOM 784 O ASN A 49 3.419 -6.616 19.870 1.00 0.00 O ATOM 785 CB ASN A 49 5.143 -7.862 22.031 1.00 0.00 C ATOM 786 CG ASN A 49 6.032 -7.969 23.265 1.00 0.00 C ATOM 787 OD1 ASN A 49 5.675 -7.534 24.367 1.00 0.00 O ATOM 788 ND2 ASN A 49 7.237 -8.580 23.048 1.00 0.00 N ATOM 0 H ASN A 49 3.247 -6.364 22.833 1.00 0.00 H new ATOM 0 HA ASN A 49 5.884 -5.857 21.891 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.176 -8.326 22.224 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.594 -8.399 21.196 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.896 -8.697 23.818 1.00 0.00 H new ATOM 0 HD22 ASN A 49 7.476 -8.919 22.116 1.00 0.00 H new ATOM 795 N LYS A 50 5.561 -6.080 19.373 1.00 0.00 N ATOM 796 CA LYS A 50 5.351 -6.066 17.959 1.00 0.00 C ATOM 797 C LYS A 50 5.502 -7.473 17.444 1.00 0.00 C ATOM 798 O LYS A 50 5.207 -7.760 16.285 1.00 0.00 O ATOM 799 CB LYS A 50 6.431 -5.244 17.245 1.00 0.00 C ATOM 800 CG LYS A 50 5.864 -4.218 16.268 1.00 0.00 C ATOM 801 CD LYS A 50 5.450 -4.722 14.889 1.00 0.00 C ATOM 802 CE LYS A 50 6.537 -4.546 13.825 1.00 0.00 C ATOM 803 NZ LYS A 50 7.632 -5.521 14.012 1.00 0.00 N ATOM 0 H LYS A 50 6.517 -5.868 19.658 1.00 0.00 H new ATOM 0 HA LYS A 50 4.364 -5.643 17.771 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.037 -4.729 17.990 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.095 -5.920 16.706 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.994 -3.754 16.733 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.609 -3.434 16.131 1.00 0.00 H new ATOM 0 HD2 LYS A 50 5.189 -5.778 14.960 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.552 -4.192 14.571 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.102 -4.670 12.833 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.936 -3.533 13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.293 -5.458 13.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.137 -5.310 14.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.237 -6.482 14.060 1.00 0.00 H new ATOM 817 N ARG A 51 5.974 -8.386 18.323 1.00 0.00 N ATOM 818 CA ARG A 51 6.036 -9.799 18.092 1.00 0.00 C ATOM 819 C ARG A 51 4.635 -10.308 18.112 1.00 0.00 C ATOM 820 O ARG A 51 4.279 -11.196 17.341 1.00 0.00 O ATOM 821 CB ARG A 51 6.780 -10.584 19.195 1.00 0.00 C ATOM 822 CG ARG A 51 8.320 -10.516 19.196 1.00 0.00 C ATOM 823 CD ARG A 51 8.948 -9.142 19.467 1.00 0.00 C ATOM 824 NE ARG A 51 9.169 -8.454 18.161 1.00 0.00 N ATOM 825 CZ ARG A 51 9.643 -7.175 18.116 1.00 0.00 C ATOM 826 NH1 ARG A 51 9.870 -6.481 19.269 1.00 0.00 N ATOM 827 NH2 ARG A 51 9.886 -6.585 16.909 1.00 0.00 N ATOM 0 H ARG A 51 6.330 -8.121 19.241 1.00 0.00 H new ATOM 0 HA ARG A 51 6.567 -9.943 17.151 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.426 -10.225 20.161 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.489 -11.632 19.118 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.691 -11.214 19.946 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.677 -10.869 18.228 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.294 -8.546 20.103 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.892 -9.256 19.999 1.00 0.00 H new ATOM 0 HE ARG A 51 8.963 -8.946 17.291 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.685 -6.918 20.172 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.224 -5.525 19.228 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.713 -7.100 16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.240 -5.629 16.871 1.00 0.00 H new ATOM 841 N SER A 52 3.816 -9.729 19.012 1.00 0.00 N ATOM 842 CA SER A 52 2.427 -10.014 19.141 1.00 0.00 C ATOM 843 C SER A 52 1.634 -9.358 18.053 1.00 0.00 C ATOM 844 O SER A 52 0.614 -9.926 17.676 1.00 0.00 O ATOM 845 CB SER A 52 1.871 -9.603 20.507 1.00 0.00 C ATOM 846 OG SER A 52 2.445 -10.409 21.524 1.00 0.00 O ATOM 0 H SER A 52 4.143 -9.030 19.679 1.00 0.00 H new ATOM 0 HA SER A 52 2.328 -11.096 19.051 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.089 -8.552 20.697 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.786 -9.710 20.515 1.00 0.00 H new ATOM 0 HG SER A 52 2.087 -10.140 22.396 1.00 0.00 H new ATOM 852 N ILE A 53 2.065 -8.178 17.525 1.00 0.00 N ATOM 853 CA ILE A 53 1.440 -7.596 16.347 1.00 0.00 C ATOM 854 C ILE A 53 1.523 -8.554 15.179 1.00 0.00 C ATOM 855 O ILE A 53 0.484 -8.912 14.634 1.00 0.00 O ATOM 856 CB ILE A 53 1.902 -6.182 15.960 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.080 -5.094 16.693 1.00 0.00 C ATOM 858 CG2 ILE A 53 1.770 -5.893 14.448 1.00 0.00 C ATOM 859 CD1 ILE A 53 1.524 -4.803 18.120 1.00 0.00 C ATOM 0 H ILE A 53 2.837 -7.631 17.907 1.00 0.00 H new ATOM 0 HA ILE A 53 0.398 -7.446 16.631 1.00 0.00 H new ATOM 0 HB ILE A 53 2.952 -6.148 16.250 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.133 -4.170 16.117 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.034 -5.400 16.709 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.112 -4.879 14.240 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.378 -6.603 13.887 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.727 -5.992 14.148 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.888 -4.028 18.548 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.443 -5.710 18.718 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.559 -4.462 18.117 1.00 0.00 H new ATOM 871 N LYS A 54 2.728 -9.008 14.757 1.00 0.00 N ATOM 872 CA LYS A 54 2.840 -9.789 13.543 1.00 0.00 C ATOM 873 C LYS A 54 2.192 -11.139 13.709 1.00 0.00 C ATOM 874 O LYS A 54 1.508 -11.629 12.806 1.00 0.00 O ATOM 875 CB LYS A 54 4.294 -9.982 13.069 1.00 0.00 C ATOM 876 CG LYS A 54 4.388 -10.327 11.570 1.00 0.00 C ATOM 877 CD LYS A 54 5.809 -10.544 11.019 1.00 0.00 C ATOM 878 CE LYS A 54 6.647 -9.273 10.803 1.00 0.00 C ATOM 879 NZ LYS A 54 7.189 -8.738 12.073 1.00 0.00 N ATOM 0 H LYS A 54 3.610 -8.841 15.242 1.00 0.00 H new ATOM 0 HA LYS A 54 2.320 -9.214 12.777 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.860 -9.071 13.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.759 -10.778 13.651 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.806 -11.231 11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.917 -9.525 11.002 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.347 -11.199 11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.732 -11.071 10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.470 -9.494 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.032 -8.512 10.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.130 -8.329 11.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.552 -8.002 12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.266 -9.507 12.769 1.00 0.00 H new ATOM 893 N ALA A 55 2.355 -11.735 14.912 1.00 0.00 N ATOM 894 CA ALA A 55 1.845 -13.042 15.213 1.00 0.00 C ATOM 895 C ALA A 55 0.374 -13.098 15.475 1.00 0.00 C ATOM 896 O ALA A 55 -0.111 -14.205 15.709 1.00 0.00 O ATOM 897 CB ALA A 55 2.507 -13.687 16.439 1.00 0.00 C ATOM 0 H ALA A 55 2.851 -11.299 15.689 1.00 0.00 H new ATOM 0 HA ALA A 55 2.081 -13.585 14.298 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.074 -14.673 16.610 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.578 -13.786 16.264 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.339 -13.061 17.315 1.00 0.00 H new ATOM 903 N ILE A 56 -0.387 -11.965 15.424 1.00 0.00 N ATOM 904 CA ILE A 56 -1.817 -12.146 15.483 1.00 0.00 C ATOM 905 C ILE A 56 -2.340 -12.555 14.141 1.00 0.00 C ATOM 906 O ILE A 56 -3.379 -13.208 14.096 1.00 0.00 O ATOM 907 CB ILE A 56 -2.689 -11.061 16.086 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.534 -9.685 15.416 1.00 0.00 C ATOM 909 CG2 ILE A 56 -2.533 -11.035 17.614 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.739 -8.505 16.366 1.00 0.00 C ATOM 0 H ILE A 56 -0.046 -11.006 15.349 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.910 -12.933 16.231 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.725 -11.323 15.871 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.539 -9.616 14.977 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.250 -9.608 14.597 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.165 -10.251 18.031 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.831 -11.999 18.027 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.492 -10.836 17.870 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.613 -7.571 15.818 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.744 -8.547 16.786 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.006 -8.555 17.171 1.00 0.00 H new ATOM 922 N CYS A 57 -1.633 -12.238 13.025 1.00 0.00 N ATOM 923 CA CYS A 57 -2.110 -12.644 11.723 1.00 0.00 C ATOM 924 C CYS A 57 -1.410 -13.891 11.255 1.00 0.00 C ATOM 925 O CYS A 57 -1.199 -14.063 10.056 1.00 0.00 O ATOM 926 CB CYS A 57 -1.972 -11.581 10.615 1.00 0.00 C ATOM 927 SG CYS A 57 -3.021 -10.134 10.880 1.00 0.00 S ATOM 0 H CYS A 57 -0.757 -11.716 13.021 1.00 0.00 H new ATOM 0 HA CYS A 57 -3.175 -12.815 11.878 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.932 -11.261 10.555 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -2.222 -12.032 9.655 1.00 0.00 H new ATOM 932 N GLU A 58 -1.071 -14.825 12.182 1.00 0.00 N ATOM 933 CA GLU A 58 -0.724 -16.169 11.796 1.00 0.00 C ATOM 934 C GLU A 58 -1.715 -17.068 12.422 1.00 0.00 C ATOM 935 O GLU A 58 -1.479 -18.261 12.613 1.00 0.00 O ATOM 936 CB GLU A 58 0.649 -16.660 12.293 1.00 0.00 C ATOM 937 CG GLU A 58 1.787 -15.648 12.140 1.00 0.00 C ATOM 938 CD GLU A 58 2.047 -15.361 10.668 1.00 0.00 C ATOM 939 OE1 GLU A 58 2.304 -16.331 9.908 1.00 0.00 O ATOM 940 OE2 GLU A 58 2.000 -14.161 10.287 1.00 0.00 O ATOM 0 H GLU A 58 -1.038 -14.650 13.186 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.702 -16.175 10.706 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.563 -16.932 13.345 1.00 0.00 H new ATOM 0 HB3 GLU A 58 0.913 -17.567 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 58 1.532 -14.723 12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.692 -16.036 12.607 1.00 0.00 H new ATOM 947 N ASN A 59 -2.848 -16.423 12.736 1.00 0.00 N ATOM 948 CA ASN A 59 -3.980 -16.796 13.560 1.00 0.00 C ATOM 949 C ASN A 59 -3.703 -17.797 14.657 1.00 0.00 C ATOM 950 O ASN A 59 -4.469 -18.739 14.856 1.00 0.00 O ATOM 951 CB ASN A 59 -5.264 -17.154 12.764 1.00 0.00 C ATOM 952 CG ASN A 59 -5.110 -18.382 11.855 1.00 0.00 C ATOM 953 OD1 ASN A 59 -4.366 -18.375 10.868 1.00 0.00 O ATOM 954 ND2 ASN A 59 -5.888 -19.456 12.194 1.00 0.00 N ATOM 0 H ASN A 59 -3.000 -15.490 12.353 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.182 -15.861 14.082 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.077 -17.334 13.467 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.553 -16.297 12.155 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.870 -20.300 11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -6.486 -19.412 13.019 1.00 0.00 H new ATOM 961 N LYS A 60 -2.606 -17.588 15.426 1.00 0.00 N ATOM 962 CA LYS A 60 -2.271 -18.436 16.536 1.00 0.00 C ATOM 963 C LYS A 60 -2.646 -17.697 17.776 1.00 0.00 C ATOM 964 O LYS A 60 -2.783 -18.278 18.852 1.00 0.00 O ATOM 965 CB LYS A 60 -0.774 -18.820 16.595 1.00 0.00 C ATOM 966 CG LYS A 60 0.215 -17.639 16.551 1.00 0.00 C ATOM 967 CD LYS A 60 1.693 -18.044 16.699 1.00 0.00 C ATOM 968 CE LYS A 60 2.424 -18.364 15.387 1.00 0.00 C ATOM 969 NZ LYS A 60 1.885 -19.573 14.727 1.00 0.00 N ATOM 0 H LYS A 60 -1.948 -16.824 15.274 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.813 -19.375 16.427 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.597 -19.385 17.510 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.554 -19.487 15.761 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.088 -17.109 15.607 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.039 -16.938 17.346 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.224 -17.237 17.203 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.749 -18.917 17.349 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.340 -17.514 14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.486 -18.506 15.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.575 -19.927 14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.704 -20.307 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.996 -19.336 14.241 1.00 0.00 H new ATOM 983 N ASN A 61 -2.788 -16.367 17.624 1.00 0.00 N ATOM 984 CA ASN A 61 -2.961 -15.448 18.702 1.00 0.00 C ATOM 985 C ASN A 61 -4.192 -14.668 18.347 1.00 0.00 C ATOM 986 O ASN A 61 -4.365 -13.520 18.742 1.00 0.00 O ATOM 987 CB ASN A 61 -1.675 -14.599 18.800 1.00 0.00 C ATOM 988 CG ASN A 61 -1.613 -13.686 20.022 1.00 0.00 C ATOM 989 OD1 ASN A 61 -2.286 -13.894 21.037 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.747 -12.634 19.877 1.00 0.00 N ATOM 0 H ASN A 61 -2.782 -15.915 16.710 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.102 -15.899 19.684 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.814 -15.267 18.817 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.588 -13.989 17.901 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.628 -11.963 20.636 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.221 -12.522 19.010 1.00 0.00 H new ATOM 997 N GLY A 62 -5.113 -15.304 17.595 1.00 0.00 N ATOM 998 CA GLY A 62 -6.351 -14.659 17.281 1.00 0.00 C ATOM 999 C GLY A 62 -7.223 -15.629 16.554 1.00 0.00 C ATOM 1000 O GLY A 62 -6.741 -16.634 16.034 1.00 0.00 O ATOM 0 H GLY A 62 -5.004 -16.243 17.213 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.842 -14.319 18.193 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.173 -13.777 16.667 1.00 0.00 H new ATOM 1004 N ASN A 63 -8.544 -15.334 16.518 1.00 0.00 N ATOM 1005 CA ASN A 63 -9.524 -16.159 15.861 1.00 0.00 C ATOM 1006 C ASN A 63 -10.199 -15.275 14.848 1.00 0.00 C ATOM 1007 O ASN A 63 -10.311 -14.090 15.154 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.629 -16.645 16.811 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.983 -17.496 17.900 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -9.482 -18.597 17.645 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.997 -16.940 19.148 1.00 0.00 N ATOM 0 H ASN A 63 -8.940 -14.502 16.956 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.020 -17.032 15.446 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.151 -15.796 17.252 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -11.371 -17.227 16.264 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.578 -17.438 19.933 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.427 -16.027 19.295 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.675 -15.748 13.690 1.00 0.00 N ATOM 1019 CA PRO A 64 -11.165 -14.887 12.634 1.00 0.00 C ATOM 1020 C PRO A 64 -12.456 -14.224 13.010 1.00 0.00 C ATOM 1021 O PRO A 64 -13.200 -14.754 13.836 1.00 0.00 O ATOM 1022 CB PRO A 64 -11.404 -15.819 11.450 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.368 -16.921 11.640 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.281 -17.047 13.161 1.00 0.00 C ATOM 0 HA PRO A 64 -10.454 -14.089 12.421 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.418 -16.218 11.454 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.268 -15.302 10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.682 -17.855 11.174 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.407 -16.653 11.201 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.940 -17.834 13.526 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.270 -17.307 13.475 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.723 -13.056 12.385 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.848 -12.233 12.703 1.00 0.00 C ATOM 1034 C HIS A 65 -14.567 -12.028 11.408 1.00 0.00 C ATOM 1035 O HIS A 65 -14.782 -10.902 10.960 1.00 0.00 O ATOM 1036 CB HIS A 65 -13.404 -10.886 13.313 1.00 0.00 C ATOM 1037 CG HIS A 65 -14.490 -10.068 13.936 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -15.019 -10.374 15.160 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -15.041 -8.898 13.541 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.866 -9.413 15.498 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -15.901 -8.506 14.532 1.00 0.00 N ATOM 0 H HIS A 65 -12.139 -12.678 11.640 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.488 -12.701 13.451 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.644 -11.083 14.069 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.930 -10.292 12.531 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.841 -8.372 12.619 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -16.437 -9.375 16.414 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.471 -7.660 14.528 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.956 -13.172 10.804 1.00 0.00 N ATOM 1051 CA ARG A 66 -15.788 -13.299 9.638 1.00 0.00 C ATOM 1052 C ARG A 66 -15.031 -13.105 8.349 1.00 0.00 C ATOM 1053 O ARG A 66 -14.392 -14.039 7.869 1.00 0.00 O ATOM 1054 CB ARG A 66 -17.121 -12.504 9.704 1.00 0.00 C ATOM 1055 CG ARG A 66 -18.256 -13.049 8.814 1.00 0.00 C ATOM 1056 CD ARG A 66 -18.726 -14.471 9.152 1.00 0.00 C ATOM 1057 NE ARG A 66 -19.175 -14.503 10.574 1.00 0.00 N ATOM 1058 CZ ARG A 66 -19.414 -15.687 11.209 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -19.271 -16.870 10.542 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -19.797 -15.689 12.519 1.00 0.00 N ATOM 0 H ARG A 66 -14.664 -14.082 11.161 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.107 -14.341 9.641 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.466 -12.490 10.738 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.923 -11.470 9.420 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -19.109 -12.375 8.887 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.923 -13.031 7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.542 -14.766 8.492 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.916 -15.183 8.996 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.305 -13.627 11.079 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.984 -16.872 9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.451 -17.751 11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.904 -14.807 13.020 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.976 -16.572 12.997 1.00 0.00 H new ATOM 1074 N GLU A 67 -15.127 -11.904 7.742 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.707 -11.649 6.390 1.00 0.00 C ATOM 1076 C GLU A 67 -13.431 -10.883 6.407 1.00 0.00 C ATOM 1077 O GLU A 67 -13.421 -9.674 6.185 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.700 -10.807 5.561 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.025 -11.524 5.280 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.889 -10.655 4.375 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.444 -9.535 4.008 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -19.018 -11.105 4.039 1.00 0.00 O ATOM 0 H GLU A 67 -15.510 -11.081 8.207 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.620 -12.633 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.905 -9.876 6.090 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.233 -10.539 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.836 -12.487 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.547 -11.726 6.215 1.00 0.00 H new ATOM 1089 N ASN A 68 -12.329 -11.617 6.665 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.928 -11.244 6.556 1.00 0.00 C ATOM 1091 C ASN A 68 -10.459 -10.331 7.650 1.00 0.00 C ATOM 1092 O ASN A 68 -9.339 -9.824 7.603 1.00 0.00 O ATOM 1093 CB ASN A 68 -10.396 -10.773 5.157 1.00 0.00 C ATOM 1094 CG ASN A 68 -10.886 -9.400 4.652 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -11.784 -9.340 3.802 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -10.262 -8.292 5.156 1.00 0.00 N ATOM 0 H ASN A 68 -12.422 -12.581 6.986 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.461 -12.220 6.687 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -9.307 -10.751 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.672 -11.525 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.532 -7.363 4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.527 -8.395 5.856 1.00 0.00 H new ATOM 1103 N LEU A 69 -11.306 -10.116 8.675 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.984 -9.267 9.775 1.00 0.00 C ATOM 1105 C LEU A 69 -10.675 -10.298 10.771 1.00 0.00 C ATOM 1106 O LEU A 69 -11.094 -11.440 10.594 1.00 0.00 O ATOM 1107 CB LEU A 69 -12.172 -8.423 10.263 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.309 -7.044 9.577 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -12.349 -7.091 8.040 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -13.541 -6.305 10.127 1.00 0.00 C ATOM 0 H LEU A 69 -12.231 -10.541 8.738 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.210 -8.532 9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.091 -8.987 10.102 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.075 -8.271 11.338 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.398 -6.498 9.821 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.446 -6.079 7.647 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.428 -7.538 7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.201 -7.689 7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -13.631 -5.334 9.639 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -14.437 -6.894 9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.430 -6.162 11.202 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.916 -9.957 11.823 1.00 0.00 N ATOM 1123 CA ARG A 70 -9.533 -11.007 12.707 1.00 0.00 C ATOM 1124 C ARG A 70 -9.351 -10.348 14.032 1.00 0.00 C ATOM 1125 O ARG A 70 -8.809 -9.247 14.124 1.00 0.00 O ATOM 1126 CB ARG A 70 -8.285 -11.749 12.168 1.00 0.00 C ATOM 1127 CG ARG A 70 -7.886 -13.019 12.935 1.00 0.00 C ATOM 1128 CD ARG A 70 -6.445 -13.061 13.436 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.341 -12.101 14.576 1.00 0.00 N ATOM 1130 CZ ARG A 70 -5.852 -10.837 14.420 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -5.273 -10.458 13.252 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -5.946 -9.936 15.440 1.00 0.00 N ATOM 0 H ARG A 70 -9.585 -9.020 12.053 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.278 -11.798 12.797 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.465 -12.016 11.127 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.441 -11.059 12.179 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.553 -13.130 13.790 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.052 -13.880 12.288 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.179 -14.068 13.757 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.753 -12.787 12.639 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.646 -12.401 15.502 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.200 -11.121 12.480 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.911 -9.510 13.146 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.382 -10.207 16.321 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.580 -8.991 15.321 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.838 -11.029 15.088 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.867 -10.511 16.422 1.00 0.00 C ATOM 1148 C ILE A 71 -8.669 -11.086 17.113 1.00 0.00 C ATOM 1149 O ILE A 71 -8.370 -12.265 16.948 1.00 0.00 O ATOM 1150 CB ILE A 71 -11.178 -10.954 17.094 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -12.086 -9.767 17.465 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -11.036 -11.938 18.282 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -11.486 -8.786 18.476 1.00 0.00 C ATOM 0 H ILE A 71 -10.224 -11.970 15.010 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.833 -9.422 16.458 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.664 -11.535 16.310 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.335 -9.221 16.555 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -13.021 -10.156 17.869 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.024 -12.179 18.675 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.548 -12.851 17.942 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.436 -11.477 19.067 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.199 -7.986 18.674 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -11.264 -9.311 19.405 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.568 -8.362 18.070 1.00 0.00 H new ATOM 1165 N SER A 72 -7.938 -10.255 17.890 1.00 0.00 N ATOM 1166 CA SER A 72 -6.798 -10.728 18.631 1.00 0.00 C ATOM 1167 C SER A 72 -7.224 -11.316 19.937 1.00 0.00 C ATOM 1168 O SER A 72 -8.337 -11.088 20.410 1.00 0.00 O ATOM 1169 CB SER A 72 -5.764 -9.633 18.946 1.00 0.00 C ATOM 1170 OG SER A 72 -6.296 -8.660 19.821 1.00 0.00 O ATOM 0 H SER A 72 -8.134 -9.261 18.005 1.00 0.00 H new ATOM 0 HA SER A 72 -6.333 -11.471 17.983 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.879 -10.084 19.395 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.443 -9.156 18.020 1.00 0.00 H new ATOM 0 HG SER A 72 -5.577 -8.070 20.131 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.312 -12.097 20.552 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.525 -12.676 21.847 1.00 0.00 C ATOM 1178 C LYS A 73 -5.361 -12.296 22.700 1.00 0.00 C ATOM 1179 O LYS A 73 -5.331 -12.624 23.887 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.658 -14.214 21.827 1.00 0.00 C ATOM 1181 CG LYS A 73 -8.044 -14.706 21.376 1.00 0.00 C ATOM 1182 CD LYS A 73 -9.150 -14.392 22.399 1.00 0.00 C ATOM 1183 CE LYS A 73 -10.532 -14.915 22.004 1.00 0.00 C ATOM 1184 NZ LYS A 73 -11.015 -14.231 20.786 1.00 0.00 N ATOM 0 H LYS A 73 -5.408 -12.331 20.141 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.471 -12.297 22.233 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.900 -14.627 21.161 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.451 -14.601 22.825 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -8.296 -14.243 20.422 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.006 -15.782 21.208 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.872 -14.821 23.362 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.207 -13.312 22.536 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.485 -15.990 21.830 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.235 -14.755 22.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.849 -14.730 20.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.273 -13.250 21.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.264 -14.231 20.067 1.00 0.00 H new ATOM 1198 N SER A 74 -4.394 -11.553 22.121 1.00 0.00 N ATOM 1199 CA SER A 74 -3.429 -10.834 22.893 1.00 0.00 C ATOM 1200 C SER A 74 -3.937 -9.446 22.854 1.00 0.00 C ATOM 1201 O SER A 74 -3.650 -8.692 21.931 1.00 0.00 O ATOM 1202 CB SER A 74 -1.996 -10.826 22.340 1.00 0.00 C ATOM 1203 OG SER A 74 -1.179 -9.950 23.102 1.00 0.00 O ATOM 0 H SER A 74 -4.283 -11.452 21.112 1.00 0.00 H new ATOM 0 HA SER A 74 -3.338 -11.301 23.874 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.583 -11.834 22.366 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.003 -10.512 21.296 1.00 0.00 H new ATOM 0 HG SER A 74 -0.268 -9.955 22.741 1.00 0.00 H new ATOM 1209 N SER A 75 -4.736 -9.116 23.874 1.00 0.00 N ATOM 1210 CA SER A 75 -5.204 -7.787 24.167 1.00 0.00 C ATOM 1211 C SER A 75 -4.045 -6.861 24.381 1.00 0.00 C ATOM 1212 O SER A 75 -3.157 -7.135 25.188 1.00 0.00 O ATOM 1213 CB SER A 75 -6.075 -7.727 25.429 1.00 0.00 C ATOM 1214 OG SER A 75 -7.227 -8.538 25.262 1.00 0.00 O ATOM 0 H SER A 75 -5.081 -9.809 24.538 1.00 0.00 H new ATOM 0 HA SER A 75 -5.803 -7.486 23.308 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.503 -8.067 26.292 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.371 -6.697 25.628 1.00 0.00 H new ATOM 0 HG SER A 75 -7.777 -8.496 26.072 1.00 0.00 H new ATOM 1220 N PHE A 76 -4.047 -5.739 23.629 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.951 -4.809 23.621 1.00 0.00 C ATOM 1222 C PHE A 76 -3.409 -3.610 24.347 1.00 0.00 C ATOM 1223 O PHE A 76 -4.611 -3.390 24.495 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.571 -4.289 22.218 1.00 0.00 C ATOM 1225 CG PHE A 76 -2.104 -5.385 21.327 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -3.042 -6.062 20.582 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.761 -5.699 21.181 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.665 -7.093 19.754 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.372 -6.723 20.335 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.333 -7.439 19.647 1.00 0.00 C ATOM 0 H PHE A 76 -4.819 -5.473 23.018 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.094 -5.330 24.047 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.433 -3.797 21.767 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.787 -3.537 22.310 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -4.083 -5.781 20.648 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -0.016 -5.142 21.730 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.410 -7.632 19.188 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.675 -6.961 20.214 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.041 -8.271 19.024 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.433 -2.792 24.798 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.752 -1.538 25.390 1.00 0.00 C ATOM 1242 C GLN A 77 -3.022 -0.595 24.290 1.00 0.00 C ATOM 1243 O GLN A 77 -2.515 -0.756 23.185 1.00 0.00 O ATOM 1244 CB GLN A 77 -1.686 -0.948 26.338 1.00 0.00 C ATOM 1245 CG GLN A 77 -0.872 -1.934 27.178 1.00 0.00 C ATOM 1246 CD GLN A 77 -0.278 -1.116 28.321 1.00 0.00 C ATOM 1247 OE1 GLN A 77 0.858 -0.629 28.252 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -1.111 -0.961 29.396 1.00 0.00 N ATOM 0 H GLN A 77 -1.436 -3.002 24.750 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.614 -1.704 26.036 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.990 -0.360 25.739 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -2.184 -0.257 27.018 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.503 -2.737 27.559 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.087 -2.400 26.582 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -2.037 -1.389 29.390 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -0.806 -0.417 30.203 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.876 0.403 24.563 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.396 1.236 23.527 1.00 0.00 C ATOM 1259 C VAL A 78 -4.492 2.598 24.146 1.00 0.00 C ATOM 1260 O VAL A 78 -4.764 2.732 25.336 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.751 0.689 23.093 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.813 1.770 22.820 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.485 -0.203 21.869 1.00 0.00 C ATOM 0 H VAL A 78 -4.207 0.634 25.500 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.778 1.272 22.630 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.193 0.118 23.910 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.746 1.295 22.517 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.980 2.353 23.726 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.466 2.428 22.024 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.426 -0.624 21.514 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.032 0.392 21.076 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.808 -1.011 22.148 1.00 0.00 H new ATOM 1273 N THR A 79 -4.272 3.655 23.340 1.00 0.00 N ATOM 1274 CA THR A 79 -4.637 4.986 23.725 1.00 0.00 C ATOM 1275 C THR A 79 -5.284 5.524 22.497 1.00 0.00 C ATOM 1276 O THR A 79 -4.604 5.868 21.531 1.00 0.00 O ATOM 1277 CB THR A 79 -3.486 5.867 24.157 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.882 5.334 25.326 1.00 0.00 O ATOM 1279 CG2 THR A 79 -3.982 7.284 24.497 1.00 0.00 C ATOM 0 H THR A 79 -3.840 3.587 22.419 1.00 0.00 H new ATOM 0 HA THR A 79 -5.273 4.970 24.610 1.00 0.00 H new ATOM 0 HB THR A 79 -2.772 5.908 23.334 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.248 4.630 25.075 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.138 7.901 24.805 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.452 7.725 23.618 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.708 7.231 25.309 1.00 0.00 H new ATOM 1287 N THR A 80 -6.632 5.588 22.520 1.00 0.00 N ATOM 1288 CA THR A 80 -7.400 6.046 21.399 1.00 0.00 C ATOM 1289 C THR A 80 -7.450 7.536 21.468 1.00 0.00 C ATOM 1290 O THR A 80 -8.216 8.108 22.240 1.00 0.00 O ATOM 1291 CB THR A 80 -8.803 5.485 21.376 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.751 4.077 21.534 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.481 5.806 20.035 1.00 0.00 C ATOM 0 H THR A 80 -7.195 5.318 23.327 1.00 0.00 H new ATOM 0 HA THR A 80 -6.920 5.699 20.484 1.00 0.00 H new ATOM 0 HB THR A 80 -9.374 5.935 22.189 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.275 3.649 20.825 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.491 5.397 20.031 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.527 6.887 19.900 1.00 0.00 H new ATOM 0 HG23 THR A 80 -8.907 5.363 19.222 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.616 8.193 20.641 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.546 9.619 20.595 1.00 0.00 C ATOM 1303 C CYS A 81 -7.609 10.064 19.653 1.00 0.00 C ATOM 1304 O CYS A 81 -7.565 9.776 18.459 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.198 10.117 20.068 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.823 9.598 21.135 1.00 0.00 S ATOM 0 H CYS A 81 -5.981 7.726 19.994 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.671 10.017 21.602 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.039 9.736 19.059 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.214 11.205 19.999 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.607 10.762 20.212 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.838 11.057 19.544 1.00 0.00 C ATOM 1313 C LYS A 82 -9.914 12.545 19.581 1.00 0.00 C ATOM 1314 O LYS A 82 -9.627 13.122 20.626 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.006 10.417 20.340 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.437 10.868 19.999 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.030 11.843 21.030 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.475 12.237 20.721 1.00 0.00 C ATOM 1319 NZ LYS A 82 -14.946 13.241 21.700 1.00 0.00 N ATOM 0 H LYS A 82 -8.560 11.135 21.160 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.895 10.672 18.526 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.953 9.337 20.202 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -10.836 10.612 21.399 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.437 11.343 19.018 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -13.080 9.991 19.928 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.988 11.387 22.019 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.415 12.742 21.067 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.542 12.642 19.711 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.116 11.356 20.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.981 13.185 21.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.513 13.052 22.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.676 14.193 21.379 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.290 13.196 18.452 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.445 14.630 18.409 1.00 0.00 C ATOM 1335 C LEU A 83 -11.567 15.063 19.288 1.00 0.00 C ATOM 1336 O LEU A 83 -12.725 14.721 19.055 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.926 15.194 17.054 1.00 0.00 C ATOM 1338 CG LEU A 83 -9.869 15.449 15.966 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -10.595 15.779 14.650 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -8.905 16.589 16.338 1.00 0.00 C ATOM 0 H LEU A 83 -10.487 12.728 17.568 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.449 14.982 18.677 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.665 14.503 16.647 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.441 16.135 17.247 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.263 14.550 15.859 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.861 15.963 13.866 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -11.229 14.940 14.364 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -11.210 16.668 14.787 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.179 16.728 15.537 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.469 17.511 16.480 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.383 16.337 17.261 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.220 15.877 20.301 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.191 16.557 21.094 1.00 0.00 C ATOM 1354 C HIS A 84 -12.431 17.837 20.367 1.00 0.00 C ATOM 1355 O HIS A 84 -11.489 18.562 20.053 1.00 0.00 O ATOM 1356 CB HIS A 84 -11.678 16.839 22.515 1.00 0.00 C ATOM 1357 CG HIS A 84 -12.768 17.144 23.498 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -13.343 18.378 23.640 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -13.381 16.315 24.373 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -14.277 18.297 24.578 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -14.319 17.054 25.041 1.00 0.00 N ATOM 0 H HIS A 84 -10.254 16.064 20.571 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.094 15.960 21.220 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.115 15.975 22.867 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.985 17.680 22.482 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -13.170 15.266 24.518 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -14.903 19.112 24.911 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.943 16.709 25.770 1.00 0.00 H new ATOM 1370 N GLY A 85 -13.714 18.128 20.074 1.00 0.00 N ATOM 1371 CA GLY A 85 -14.073 19.262 19.271 1.00 0.00 C ATOM 1372 C GLY A 85 -14.573 18.724 17.980 1.00 0.00 C ATOM 1373 O GLY A 85 -15.776 18.548 17.795 1.00 0.00 O ATOM 0 H GLY A 85 -14.508 17.574 20.395 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -14.839 19.860 19.765 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.213 19.913 19.113 1.00 0.00 H new ATOM 1377 N GLY A 86 -13.628 18.449 17.061 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.937 17.884 15.781 1.00 0.00 C ATOM 1379 C GLY A 86 -13.588 18.887 14.739 1.00 0.00 C ATOM 1380 O GLY A 86 -14.290 19.014 13.737 1.00 0.00 O ATOM 0 H GLY A 86 -12.634 18.621 17.208 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.376 16.962 15.626 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.995 17.627 15.723 1.00 0.00 H new ATOM 1384 N SER A 87 -12.473 19.609 14.965 1.00 0.00 N ATOM 1385 CA SER A 87 -11.902 20.493 13.985 1.00 0.00 C ATOM 1386 C SER A 87 -10.989 19.646 13.143 1.00 0.00 C ATOM 1387 O SER A 87 -10.095 19.031 13.723 1.00 0.00 O ATOM 1388 CB SER A 87 -11.031 21.594 14.613 1.00 0.00 C ATOM 1389 OG SER A 87 -10.459 22.400 13.593 1.00 0.00 O ATOM 0 H SER A 87 -11.956 19.580 15.844 1.00 0.00 H new ATOM 0 HA SER A 87 -12.710 20.974 13.434 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.634 22.210 15.280 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.243 21.145 15.218 1.00 0.00 H new ATOM 0 HG SER A 87 -9.549 22.091 13.404 1.00 0.00 H new ATOM 1395 N PRO A 88 -11.117 19.564 11.820 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.346 18.621 11.058 1.00 0.00 C ATOM 1397 C PRO A 88 -9.103 19.310 10.563 1.00 0.00 C ATOM 1398 O PRO A 88 -8.366 18.670 9.819 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.248 18.250 9.880 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.145 19.470 9.678 1.00 0.00 C ATOM 1401 CD PRO A 88 -12.282 20.038 11.089 1.00 0.00 C ATOM 0 HA PRO A 88 -10.044 17.744 11.630 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.663 18.036 8.985 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.836 17.358 10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.696 20.191 8.995 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.113 19.194 9.259 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.316 21.127 11.071 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -13.204 19.698 11.560 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.849 20.586 10.928 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.699 21.307 10.466 1.00 0.00 C ATOM 1411 C TRP A 89 -6.900 21.647 11.685 1.00 0.00 C ATOM 1412 O TRP A 89 -7.481 21.608 12.769 1.00 0.00 O ATOM 1413 CB TRP A 89 -8.113 22.593 9.735 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.904 22.270 8.497 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -10.246 22.383 8.282 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -8.354 21.636 7.329 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -10.562 21.896 7.037 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.409 21.422 6.445 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -7.081 21.244 7.026 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.203 20.815 5.237 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -6.874 20.615 5.818 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -7.919 20.406 4.934 1.00 0.00 C ATOM 0 H TRP A 89 -9.451 21.123 11.552 1.00 0.00 H new ATOM 0 HA TRP A 89 -7.125 20.707 9.760 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -8.708 23.219 10.400 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -7.226 23.166 9.466 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.955 22.794 8.986 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -11.493 21.886 6.620 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.264 21.421 7.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.017 20.661 4.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.881 20.280 5.556 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -7.727 19.915 3.992 1.00 0.00 H new ATOM 1433 N PRO A 90 -5.610 21.971 11.582 1.00 0.00 N ATOM 1434 CA PRO A 90 -4.776 22.130 12.741 1.00 0.00 C ATOM 1435 C PRO A 90 -5.122 23.453 13.396 1.00 0.00 C ATOM 1436 O PRO A 90 -5.430 24.374 12.640 1.00 0.00 O ATOM 1437 CB PRO A 90 -3.332 22.148 12.223 1.00 0.00 C ATOM 1438 CG PRO A 90 -3.438 22.267 10.701 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.820 21.693 10.398 1.00 0.00 C ATOM 0 HA PRO A 90 -4.912 21.334 13.474 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.776 22.986 12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.803 21.239 12.508 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -3.352 23.302 10.372 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.650 21.706 10.198 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.256 22.159 9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.768 20.622 10.201 1.00 0.00 H new ATOM 1447 N PRO A 91 -5.078 23.635 14.712 1.00 0.00 N ATOM 1448 CA PRO A 91 -4.554 22.683 15.652 1.00 0.00 C ATOM 1449 C PRO A 91 -5.597 21.669 15.965 1.00 0.00 C ATOM 1450 O PRO A 91 -6.785 21.887 15.723 1.00 0.00 O ATOM 1451 CB PRO A 91 -4.269 23.455 16.928 1.00 0.00 C ATOM 1452 CG PRO A 91 -4.127 24.898 16.465 1.00 0.00 C ATOM 1453 CD PRO A 91 -5.061 24.978 15.256 1.00 0.00 C ATOM 0 HA PRO A 91 -3.668 22.189 15.252 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -5.079 23.346 17.649 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.360 23.101 17.414 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.419 25.601 17.245 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.098 25.133 16.194 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.061 25.299 15.549 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -4.698 25.697 14.522 1.00 0.00 H new ATOM 1461 N CYS A 92 -5.112 20.549 16.507 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.906 19.384 16.736 1.00 0.00 C ATOM 1463 C CYS A 92 -5.861 19.127 18.205 1.00 0.00 C ATOM 1464 O CYS A 92 -4.816 18.763 18.741 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.338 18.131 16.041 1.00 0.00 C ATOM 1466 SG CYS A 92 -5.013 18.333 14.267 1.00 0.00 S ATOM 0 H CYS A 92 -4.139 20.445 16.796 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.908 19.562 16.344 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.410 17.846 16.537 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.038 17.307 16.177 1.00 0.00 H new ATOM 1471 N GLN A 93 -7.007 19.307 18.891 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.105 18.967 20.282 1.00 0.00 C ATOM 1473 C GLN A 93 -7.450 17.519 20.329 1.00 0.00 C ATOM 1474 O GLN A 93 -8.458 17.114 19.756 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.224 19.722 21.019 1.00 0.00 C ATOM 1476 CG GLN A 93 -7.977 21.230 21.116 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.147 21.843 21.884 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.314 21.678 21.510 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -8.806 22.569 22.992 1.00 0.00 N ATOM 0 H GLN A 93 -7.863 19.686 18.486 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.163 19.225 20.766 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.169 19.548 20.505 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.328 19.313 22.024 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.036 21.431 21.628 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.900 21.670 20.122 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.825 22.671 23.253 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.533 23.008 23.558 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.608 16.709 21.004 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.798 15.286 21.052 1.00 0.00 C ATOM 1490 C TYR A 94 -6.943 14.860 22.469 1.00 0.00 C ATOM 1491 O TYR A 94 -5.972 14.874 23.223 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.586 14.496 20.554 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.501 14.553 19.079 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.461 13.909 18.331 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.445 15.178 18.447 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.393 13.904 16.958 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.379 15.181 17.070 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.349 14.544 16.326 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.241 14.508 14.924 1.00 0.00 O ATOM 0 H TYR A 94 -5.792 17.041 21.519 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.668 15.088 20.426 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.675 14.902 20.993 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.662 13.459 20.880 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.275 13.403 18.828 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.674 15.662 19.028 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.153 13.402 16.378 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.564 15.685 16.572 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.937 13.923 14.557 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.161 14.421 22.838 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.411 13.859 24.137 1.00 0.00 C ATOM 1511 C ARG A 95 -8.068 12.408 24.051 1.00 0.00 C ATOM 1512 O ARG A 95 -8.540 11.709 23.155 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.892 13.972 24.555 1.00 0.00 C ATOM 1514 CG ARG A 95 -10.207 13.485 25.980 1.00 0.00 C ATOM 1515 CD ARG A 95 -11.701 13.553 26.311 1.00 0.00 C ATOM 1516 NE ARG A 95 -12.401 12.554 25.449 1.00 0.00 N ATOM 1517 CZ ARG A 95 -13.764 12.479 25.425 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -14.517 13.351 26.156 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -14.377 11.525 24.665 1.00 0.00 N ATOM 0 H ARG A 95 -8.981 14.455 22.233 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.818 14.400 24.874 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.200 15.014 24.468 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -10.497 13.401 23.851 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -9.860 12.458 26.094 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.652 14.090 26.697 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -11.870 13.334 27.365 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -12.089 14.555 26.128 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.853 11.918 24.870 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -14.062 14.065 26.725 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.535 13.289 26.133 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.817 10.871 24.118 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -15.395 11.466 24.644 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.250 11.921 25.008 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.962 10.518 25.094 1.00 0.00 C ATOM 1535 C ALA A 96 -8.090 9.818 25.774 1.00 0.00 C ATOM 1536 O ALA A 96 -8.486 10.183 26.880 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.735 10.195 25.949 1.00 0.00 C ATOM 0 H ALA A 96 -6.792 12.494 25.717 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.795 10.198 24.066 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.579 9.116 25.968 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.857 10.681 25.524 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.894 10.557 26.965 1.00 0.00 H new ATOM 1543 N THR A 97 -8.601 8.764 25.111 1.00 0.00 N ATOM 1544 CA THR A 97 -9.541 7.850 25.683 1.00 0.00 C ATOM 1545 C THR A 97 -8.785 6.562 25.735 1.00 0.00 C ATOM 1546 O THR A 97 -8.755 5.805 24.765 1.00 0.00 O ATOM 1547 CB THR A 97 -10.796 7.713 24.857 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.359 9.002 24.663 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.821 6.816 25.577 1.00 0.00 C ATOM 0 H THR A 97 -8.352 8.541 24.147 1.00 0.00 H new ATOM 0 HA THR A 97 -9.895 8.185 26.658 1.00 0.00 H new ATOM 0 HB THR A 97 -10.545 7.259 23.899 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.096 8.944 24.020 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.720 6.728 24.967 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.391 5.827 25.734 1.00 0.00 H new ATOM 0 HG23 THR A 97 -12.078 7.257 26.540 1.00 0.00 H new ATOM 1557 N ALA A 98 -8.129 6.308 26.883 1.00 0.00 N ATOM 1558 CA ALA A 98 -7.228 5.200 27.008 1.00 0.00 C ATOM 1559 C ALA A 98 -7.985 3.963 27.362 1.00 0.00 C ATOM 1560 O ALA A 98 -8.941 4.007 28.135 1.00 0.00 O ATOM 1561 CB ALA A 98 -6.163 5.432 28.086 1.00 0.00 C ATOM 0 H ALA A 98 -8.222 6.872 27.728 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.730 5.092 26.044 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.506 4.564 28.141 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.577 6.316 27.834 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.648 5.582 29.051 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.554 2.821 26.784 1.00 0.00 N ATOM 1568 CA GLY A 99 -8.207 1.569 27.025 1.00 0.00 C ATOM 1569 C GLY A 99 -7.184 0.484 26.945 1.00 0.00 C ATOM 1570 O GLY A 99 -5.986 0.737 26.848 1.00 0.00 O ATOM 0 H GLY A 99 -6.755 2.767 26.152 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.682 1.571 28.006 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.994 1.404 26.290 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.651 -0.772 26.999 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.785 -1.909 26.938 1.00 0.00 C ATOM 1576 C PHE A 100 -7.703 -2.976 26.442 1.00 0.00 C ATOM 1577 O PHE A 100 -8.572 -3.435 27.182 1.00 0.00 O ATOM 1578 CB PHE A 100 -6.189 -2.273 28.325 1.00 0.00 C ATOM 1579 CG PHE A 100 -5.386 -3.533 28.272 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -4.069 -3.507 27.856 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.933 -4.734 28.690 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -3.343 -4.681 27.783 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -5.202 -5.902 28.635 1.00 0.00 C ATOM 1584 CZ PHE A 100 -3.904 -5.878 28.171 1.00 0.00 C ATOM 0 H PHE A 100 -8.640 -1.005 27.086 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.911 -1.747 26.307 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.559 -1.455 28.676 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.996 -2.387 29.049 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.606 -2.569 27.588 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.946 -4.757 29.064 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -2.327 -4.660 27.418 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -5.645 -6.833 28.955 1.00 0.00 H new ATOM 0 HZ PHE A 100 -3.331 -6.791 28.112 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.557 -3.376 25.158 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.494 -4.306 24.591 1.00 0.00 C ATOM 1596 C ARG A 101 -7.893 -4.969 23.387 1.00 0.00 C ATOM 1597 O ARG A 101 -6.842 -4.571 22.884 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.872 -3.691 24.218 1.00 0.00 C ATOM 1599 CG ARG A 101 -9.842 -2.526 23.212 1.00 0.00 C ATOM 1600 CD ARG A 101 -10.689 -2.769 21.951 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.141 -2.483 22.184 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.085 -3.465 22.310 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.737 -4.782 22.371 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.405 -3.113 22.362 1.00 0.00 N ATOM 0 H ARG A 101 -6.815 -3.067 24.530 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.696 -5.034 25.376 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -10.502 -4.481 23.809 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.351 -3.343 25.133 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.197 -1.622 23.707 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -8.810 -2.342 22.914 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -10.321 -2.139 21.141 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.571 -3.804 21.629 1.00 0.00 H new ATOM 0 HE ARG A 101 -12.440 -1.510 22.252 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.755 -5.053 22.323 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -13.459 -5.496 22.465 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -14.673 -2.130 22.307 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.121 -3.833 22.456 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.587 -6.030 22.924 1.00 0.00 N ATOM 1619 CA ASN A 102 -8.215 -6.827 21.790 1.00 0.00 C ATOM 1620 C ASN A 102 -8.633 -6.133 20.537 1.00 0.00 C ATOM 1621 O ASN A 102 -9.776 -5.710 20.379 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.862 -8.228 21.824 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.185 -8.220 22.597 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -10.207 -8.439 23.815 1.00 0.00 O ATOM 1625 ND2 ASN A 102 -11.315 -7.999 21.859 1.00 0.00 N ATOM 0 H ASN A 102 -9.451 -6.347 23.363 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.133 -6.954 21.821 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -9.037 -8.573 20.805 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.174 -8.936 22.286 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.229 -8.010 22.311 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.243 -7.823 20.857 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.664 -6.017 19.612 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.790 -5.234 18.421 1.00 0.00 C ATOM 1634 C VAL A 103 -8.365 -6.085 17.332 1.00 0.00 C ATOM 1635 O VAL A 103 -8.043 -7.267 17.223 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.463 -4.653 17.969 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -6.042 -3.579 18.989 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.377 -5.743 17.843 1.00 0.00 C ATOM 0 H VAL A 103 -6.761 -6.484 19.695 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.451 -4.396 18.642 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.578 -4.212 16.979 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -5.089 -3.144 18.687 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.801 -2.798 19.029 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.938 -4.034 19.974 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.441 -5.288 17.517 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.230 -6.223 18.810 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.692 -6.488 17.112 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.228 -5.478 16.486 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.692 -6.125 15.290 1.00 0.00 C ATOM 1650 C VAL A 104 -8.797 -5.611 14.219 1.00 0.00 C ATOM 1651 O VAL A 104 -9.029 -4.528 13.687 1.00 0.00 O ATOM 1652 CB VAL A 104 -11.118 -5.777 14.892 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -11.494 -6.450 13.553 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -12.051 -6.292 15.989 1.00 0.00 C ATOM 0 H VAL A 104 -9.603 -4.541 16.631 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.678 -7.204 15.447 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.209 -4.698 14.771 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.518 -6.187 13.289 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.817 -6.106 12.770 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.412 -7.532 13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.083 -6.056 15.729 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.939 -7.372 16.085 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.797 -5.816 16.936 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.755 -6.386 13.870 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.880 -5.957 12.796 1.00 0.00 C ATOM 1666 C VAL A 105 -7.261 -6.847 11.651 1.00 0.00 C ATOM 1667 O VAL A 105 -7.513 -8.038 11.841 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.389 -5.917 13.087 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -5.167 -4.977 14.282 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.776 -7.287 13.375 1.00 0.00 C ATOM 0 H VAL A 105 -7.514 -7.277 14.304 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.032 -4.898 12.589 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.885 -5.557 12.190 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.103 -4.929 14.514 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.530 -3.980 14.033 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.710 -5.355 15.148 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.710 -7.174 13.573 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.262 -7.727 14.246 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.918 -7.938 12.512 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.348 -6.269 10.438 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.636 -7.039 9.264 1.00 0.00 C ATOM 1682 C ALA A 106 -6.327 -7.341 8.625 1.00 0.00 C ATOM 1683 O ALA A 106 -5.463 -6.466 8.511 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.548 -6.333 8.255 1.00 0.00 C ATOM 0 H ALA A 106 -7.219 -5.271 10.269 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.182 -7.933 9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.715 -6.985 7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.503 -6.102 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.075 -5.409 7.922 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.178 -8.625 8.225 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.929 -9.143 7.749 1.00 0.00 C ATOM 1692 C CYS A 107 -4.982 -9.333 6.274 1.00 0.00 C ATOM 1693 O CYS A 107 -6.039 -9.576 5.693 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.550 -10.532 8.306 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.797 -10.703 10.089 1.00 0.00 S ATOM 0 H CYS A 107 -6.935 -9.309 8.233 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.197 -8.406 8.079 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.141 -11.291 7.793 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -3.504 -10.732 8.074 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.790 -9.263 5.655 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.588 -9.677 4.302 1.00 0.00 C ATOM 1702 C GLU A 108 -2.160 -10.110 4.270 1.00 0.00 C ATOM 1703 O GLU A 108 -1.282 -9.364 4.699 1.00 0.00 O ATOM 1704 CB GLU A 108 -3.799 -8.546 3.270 1.00 0.00 C ATOM 1705 CG GLU A 108 -3.677 -8.971 1.797 1.00 0.00 C ATOM 1706 CD GLU A 108 -4.705 -10.054 1.497 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -5.923 -9.778 1.655 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.282 -11.174 1.104 1.00 0.00 O ATOM 0 H GLU A 108 -2.946 -8.910 6.106 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.306 -10.451 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.787 -8.114 3.426 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.072 -7.758 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.836 -8.112 1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -2.672 -9.342 1.596 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.918 -11.339 3.754 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.636 -11.975 3.513 1.00 0.00 C ATOM 1717 C ASN A 109 0.174 -12.299 4.743 1.00 0.00 C ATOM 1718 O ASN A 109 1.374 -12.552 4.641 1.00 0.00 O ATOM 1719 CB ASN A 109 0.244 -11.346 2.388 1.00 0.00 C ATOM 1720 CG ASN A 109 0.892 -9.988 2.710 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.841 -9.871 3.495 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.362 -8.926 2.028 1.00 0.00 N ATOM 0 H ASN A 109 -2.690 -11.947 3.479 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.969 -12.933 3.114 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.036 -12.052 2.137 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.372 -11.229 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.750 -7.992 2.158 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.421 -9.069 1.390 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.464 -12.323 5.936 1.00 0.00 N ATOM 1730 CA GLY A 110 0.201 -12.662 7.166 1.00 0.00 C ATOM 1731 C GLY A 110 0.643 -11.418 7.873 1.00 0.00 C ATOM 1732 O GLY A 110 1.243 -11.489 8.945 1.00 0.00 O ATOM 0 H GLY A 110 -1.454 -12.104 6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.471 -13.234 7.806 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.062 -13.298 6.960 1.00 0.00 H new ATOM 1736 N LEU A 111 0.344 -10.248 7.281 1.00 0.00 N ATOM 1737 CA LEU A 111 0.653 -8.972 7.853 1.00 0.00 C ATOM 1738 C LEU A 111 -0.668 -8.418 8.273 1.00 0.00 C ATOM 1739 O LEU A 111 -1.609 -8.589 7.506 1.00 0.00 O ATOM 1740 CB LEU A 111 1.160 -8.009 6.774 1.00 0.00 C ATOM 1741 CG LEU A 111 2.673 -7.732 6.780 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.603 -8.913 7.041 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.106 -7.036 5.483 1.00 0.00 C ATOM 0 H LEU A 111 -0.126 -10.186 6.378 1.00 0.00 H new ATOM 0 HA LEU A 111 1.395 -9.076 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.887 -8.411 5.798 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.636 -7.060 6.886 1.00 0.00 H new ATOM 0 HG LEU A 111 2.791 -7.089 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.638 -8.573 7.016 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.384 -9.339 8.020 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.452 -9.672 6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.180 -6.850 5.511 1.00 0.00 H new ATOM 0 HD22 LEU A 111 2.870 -7.674 4.631 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.577 -6.088 5.384 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.840 -7.762 9.402 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.011 -6.972 9.647 1.00 0.00 C ATOM 1757 C PRO A 112 -1.828 -5.734 8.828 1.00 0.00 C ATOM 1758 O PRO A 112 -0.916 -4.964 9.103 1.00 0.00 O ATOM 1759 CB PRO A 112 -1.988 -6.687 11.149 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.536 -6.902 11.588 1.00 0.00 C ATOM 1761 CD PRO A 112 0.023 -7.885 10.560 1.00 0.00 C ATOM 0 HA PRO A 112 -2.963 -7.434 9.384 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.314 -5.669 11.360 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.662 -7.355 11.685 1.00 0.00 H new ATOM 0 HG2 PRO A 112 0.023 -5.966 11.589 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.481 -7.308 12.598 1.00 0.00 H new ATOM 0 HD2 PRO A 112 1.056 -7.645 10.308 1.00 0.00 H new ATOM 0 HD3 PRO A 112 0.018 -8.904 10.947 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.687 -5.519 7.815 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.513 -4.417 6.914 1.00 0.00 C ATOM 1771 C VAL A 113 -3.432 -3.304 7.297 1.00 0.00 C ATOM 1772 O VAL A 113 -3.324 -2.206 6.753 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.752 -4.770 5.459 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.568 -5.630 4.976 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.111 -5.475 5.266 1.00 0.00 C ATOM 0 H VAL A 113 -3.499 -6.104 7.619 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.468 -4.118 7.001 1.00 0.00 H new ATOM 0 HB VAL A 113 -2.804 -3.864 4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.716 -5.898 3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.642 -5.064 5.078 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.508 -6.537 5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.250 -5.714 4.212 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.131 -6.394 5.852 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.913 -4.816 5.598 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.385 -3.566 8.215 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.469 -2.645 8.383 1.00 0.00 C ATOM 1787 C HIS A 114 -6.001 -2.915 9.747 1.00 0.00 C ATOM 1788 O HIS A 114 -5.533 -3.831 10.418 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.578 -2.911 7.339 1.00 0.00 C ATOM 1790 CG HIS A 114 -7.836 -2.133 7.476 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -7.990 -0.796 7.228 1.00 0.00 N ATOM 1792 CD2 HIS A 114 -9.030 -2.614 7.856 1.00 0.00 C ATOM 1793 CE1 HIS A 114 -9.260 -0.480 7.457 1.00 0.00 C ATOM 1794 NE2 HIS A 114 -9.913 -1.571 7.840 1.00 0.00 N ATOM 0 H HIS A 114 -4.407 -4.386 8.821 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.140 -1.614 8.255 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -6.165 -2.715 6.349 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -6.830 -3.971 7.375 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -9.252 -3.636 8.125 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -9.691 0.504 7.349 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -10.903 -1.622 8.081 1.00 0.00 H new ATOM 1803 N LEU A 115 -6.985 -2.104 10.184 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.583 -2.195 11.478 1.00 0.00 C ATOM 1805 C LEU A 115 -8.812 -1.370 11.366 1.00 0.00 C ATOM 1806 O LEU A 115 -8.769 -0.204 10.973 1.00 0.00 O ATOM 1807 CB LEU A 115 -6.576 -1.702 12.531 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.941 -1.121 13.917 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.990 0.405 13.847 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -8.028 -1.832 14.722 1.00 0.00 C ATOM 0 H LEU A 115 -7.377 -1.357 9.611 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.846 -3.204 11.796 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.914 -2.545 12.727 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.979 -0.937 12.036 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.121 -1.376 14.588 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.248 0.806 14.827 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.015 0.787 13.544 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.742 0.712 13.120 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -8.177 -1.314 15.669 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.960 -1.829 14.157 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -7.724 -2.861 14.915 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.945 -2.012 11.703 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.230 -1.389 11.673 1.00 0.00 C ATOM 1824 C ASP A 116 -11.402 -0.672 12.964 1.00 0.00 C ATOM 1825 O ASP A 116 -11.203 -1.229 14.042 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.390 -2.383 11.523 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.352 -2.948 10.111 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.417 -3.732 9.798 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.270 -2.602 9.320 1.00 0.00 O ATOM 0 H ASP A 116 -9.968 -2.987 12.003 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.261 -0.730 10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.301 -3.185 12.256 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -13.342 -1.886 11.708 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.814 0.607 12.858 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.933 1.508 13.967 1.00 0.00 C ATOM 1836 C GLN A 117 -13.388 1.547 14.346 1.00 0.00 C ATOM 1837 O GLN A 117 -13.944 2.614 14.599 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.575 2.960 13.557 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.206 3.157 12.879 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.133 3.499 13.913 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.386 4.470 13.748 1.00 0.00 O ATOM 1842 NE2 GLN A 117 -9.062 2.672 14.993 1.00 0.00 N ATOM 0 H GLN A 117 -12.074 1.030 11.967 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.271 1.170 14.764 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.348 3.326 12.881 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.609 3.586 14.449 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.926 2.250 12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.273 3.955 12.140 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.706 1.885 15.076 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.365 2.840 15.719 1.00 0.00 H new ATOM 1851 N SER A 118 -14.043 0.368 14.379 1.00 0.00 N ATOM 1852 CA SER A 118 -15.432 0.232 14.705 1.00 0.00 C ATOM 1853 C SER A 118 -15.546 -0.084 16.162 1.00 0.00 C ATOM 1854 O SER A 118 -16.612 0.073 16.755 1.00 0.00 O ATOM 1855 CB SER A 118 -16.114 -0.897 13.915 1.00 0.00 C ATOM 1856 OG SER A 118 -15.420 -2.120 14.111 1.00 0.00 O ATOM 0 H SER A 118 -13.589 -0.521 14.171 1.00 0.00 H new ATOM 0 HA SER A 118 -15.927 1.169 14.448 1.00 0.00 H new ATOM 0 HB2 SER A 118 -17.150 -1.002 14.238 1.00 0.00 H new ATOM 0 HB3 SER A 118 -16.134 -0.648 12.854 1.00 0.00 H new ATOM 0 HG SER A 118 -15.864 -2.833 13.605 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.423 -0.543 16.764 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.346 -0.877 18.160 1.00 0.00 C ATOM 1864 C ILE A 119 -13.769 0.326 18.822 1.00 0.00 C ATOM 1865 O ILE A 119 -13.884 0.516 20.033 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.529 -2.129 18.442 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.010 -1.919 18.575 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -13.769 -3.062 17.256 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -11.212 -3.228 18.594 1.00 0.00 C ATOM 0 H ILE A 119 -13.545 -0.685 16.264 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.335 -1.123 18.547 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.852 -2.514 19.409 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -11.662 -1.303 17.746 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -11.806 -1.365 19.491 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -13.206 -3.985 17.399 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -14.832 -3.293 17.184 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -13.440 -2.575 16.338 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -10.149 -3.005 18.690 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -11.532 -3.837 19.439 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -11.386 -3.774 17.667 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.125 1.166 17.983 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.514 2.402 18.355 1.00 0.00 C ATOM 1883 C PHE A 120 -13.353 3.468 17.760 1.00 0.00 C ATOM 1884 O PHE A 120 -12.865 4.385 17.103 1.00 0.00 O ATOM 1885 CB PHE A 120 -11.105 2.522 17.779 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.298 1.412 18.350 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.154 1.351 19.722 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.723 0.426 17.564 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.414 0.349 20.310 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.976 -0.566 18.157 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.806 -0.605 19.525 1.00 0.00 C ATOM 0 H PHE A 120 -13.028 0.965 16.988 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.439 2.472 19.440 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.128 2.460 16.691 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.666 3.487 18.034 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -10.627 2.098 20.342 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -9.860 0.436 16.493 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -9.311 0.312 21.384 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -8.516 -1.325 17.542 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.201 -1.377 19.977 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.665 3.318 17.990 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.677 4.235 17.554 1.00 0.00 C ATOM 1903 C ARG A 121 -16.287 4.777 18.806 1.00 0.00 C ATOM 1904 O ARG A 121 -17.156 5.649 18.770 1.00 0.00 O ATOM 1905 CB ARG A 121 -16.750 3.536 16.697 1.00 0.00 C ATOM 1906 CG ARG A 121 -17.660 4.472 15.890 1.00 0.00 C ATOM 1907 CD ARG A 121 -18.580 3.697 14.940 1.00 0.00 C ATOM 1908 NE ARG A 121 -19.416 4.677 14.181 1.00 0.00 N ATOM 1909 CZ ARG A 121 -20.632 5.105 14.635 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -21.136 4.661 15.822 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -21.352 5.993 13.887 1.00 0.00 N ATOM 0 H ARG A 121 -15.043 2.522 18.504 1.00 0.00 H new ATOM 0 HA ARG A 121 -15.250 5.018 16.927 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -16.252 2.856 16.006 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -17.373 2.926 17.351 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -18.264 5.069 16.573 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -17.048 5.167 15.316 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -17.990 3.091 14.253 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -19.216 3.013 15.503 1.00 0.00 H new ATOM 0 HE ARG A 121 -19.067 5.039 13.294 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.604 3.999 16.386 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.045 4.991 16.145 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -20.981 6.330 12.999 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.261 6.319 14.217 1.00 0.00 H new ATOM 1925 N ARG A 122 -15.821 4.246 19.956 1.00 0.00 N ATOM 1926 CA ARG A 122 -16.283 4.657 21.249 1.00 0.00 C ATOM 1927 C ARG A 122 -15.649 5.989 21.547 1.00 0.00 C ATOM 1928 O ARG A 122 -14.468 6.154 21.242 1.00 0.00 O ATOM 1929 CB ARG A 122 -15.866 3.674 22.363 1.00 0.00 C ATOM 1930 CG ARG A 122 -16.353 2.229 22.145 1.00 0.00 C ATOM 1931 CD ARG A 122 -17.874 2.074 22.016 1.00 0.00 C ATOM 1932 NE ARG A 122 -18.511 2.637 23.242 1.00 0.00 N ATOM 1933 CZ ARG A 122 -19.866 2.784 23.319 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -20.662 2.393 22.281 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -20.427 3.323 24.440 1.00 0.00 N ATOM 0 H ARG A 122 -15.109 3.516 19.987 1.00 0.00 H new ATOM 0 HA ARG A 122 -17.372 4.699 21.230 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -14.779 3.671 22.441 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -16.253 4.036 23.315 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -15.884 1.835 21.243 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -16.009 1.615 22.977 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -18.234 2.594 21.129 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -18.139 1.023 21.899 1.00 0.00 H new ATOM 0 HE ARG A 122 -17.928 2.915 24.031 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -20.245 1.989 21.443 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -21.674 2.505 22.344 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -19.834 3.615 25.217 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -21.439 3.434 24.501 1.00 0.00 H new ATOM 1949 N PRO A 123 -16.364 6.956 22.105 1.00 0.00 N ATOM 1950 CA PRO A 123 -15.930 8.323 22.129 1.00 0.00 C ATOM 1951 C PRO A 123 -14.779 8.390 23.095 1.00 0.00 C ATOM 1952 O PRO A 123 -14.966 8.049 24.291 1.00 0.00 O ATOM 1953 CB PRO A 123 -17.143 9.116 22.628 1.00 0.00 C ATOM 1954 CG PRO A 123 -18.010 8.092 23.370 1.00 0.00 C ATOM 1955 CD PRO A 123 -17.704 6.786 22.639 1.00 0.00 C ATOM 1956 OXT PRO A 123 -13.670 8.798 22.649 1.00 0.00 O ATOM 0 HA PRO A 123 -15.598 8.718 21.169 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -16.839 9.928 23.289 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -17.688 9.567 21.799 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -17.749 8.033 24.427 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -19.069 8.346 23.316 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -17.753 5.934 23.317 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.425 6.602 21.843 1.00 0.00 H new TER 1964 PRO A 123