USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=32 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 25 TYR OH : rot 13:sc= 0.108 USER MOD Set 1.2: A 47 HIS : no HE2:sc= -3.77! C(o=-3.1!,f=-9.9!) USER MOD Set 1.3: A 77 GLN : amide:sc= -0.0968 K(o=-3.1,f=-4.1) USER MOD Set 1.4: A 79 THR OG1 : rot 83:sc= 0.708 USER MOD Set 2.1: A 61 ASN : amide:sc= -0.496 X(o=-0.31,f=-0.51) USER MOD Set 2.2: A 74 SER OG : rot 55:sc= 0.187 USER MOD Set 3.1: A 12 GLN : amide:sc= -0.0521 K(o=-1.2,f=-2.9!) USER MOD Set 3.2: A 13 HIS :FLIP no HE2:sc= -2.19 F(o=-2.2,f=-1.2) USER MOD Set 3.3: A 40 LYS NZ :NH3+ -172:sc=-0.00879 (180deg=-0.0994) USER MOD Set 3.4: A 43 ASN :FLIP amide:sc= 0.731 F(o=-3.9!,f=-1.2) USER MOD Set 3.5: A 44 THR OG1 : rot 175:sc= 0.456 USER MOD Set 3.6: A 80 THR OG1 : rot 180:sc= 0 USER MOD Set 3.7: A 117 GLN :FLIP amide:sc= -0.149 X(o=-1.7,f=-1.2) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 8 HIS :FLIP no HD1:sc= -0.324 F(o=-0.89,f=-0.32) USER MOD Set 5.1: A 1 GLN : amide:sc= 0.00976 X(o=0.021,f=-0.42) USER MOD Set 5.2: A 3 ASN : amide:sc= 0.0115 X(o=0.021,f=-0.42) USER MOD Single : A 1 GLN N :NH3+ -177:sc= 0 (180deg=-0.00891) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -2:sc= 0.309 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0528 X(o=-0.053,f=-0.053) USER MOD Single : A 28 SER OG : rot -26:sc= 0.221 USER MOD Single : A 30 MET CE :methyl 156:sc= -1.33 (180deg=-3.75!) USER MOD Single : A 36 THR OG1 : rot 38:sc= 0.924 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.27 K(o=-0.27,f=-0.88) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -125:sc= 1.22 (180deg=-0.0868) USER MOD Single : A 59 ASN : amide:sc= 0.0883 K(o=0.088,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.102) USER MOD Single : A 63 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.255 X(o=-0.25,f=-0.25) USER MOD Single : A 68 ASN : amide:sc= 0.034 X(o=0.034,f=-0.0013) USER MOD Single : A 72 SER OG : rot 160:sc= 0.144 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -118:sc= 0.825 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 87 SER OG : rot 45:sc= 0.208 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.00083) USER MOD Single : A 94 TYR OH : rot -89:sc= 0.323 USER MOD Single : A 97 THR OG1 : rot 160:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -1.63! C(o=-2.3!,f=-1.6!) USER MOD Single : A 109 ASN : amide:sc= -0.0976 X(o=-0.098,f=-0.47) USER MOD Single : A 114 HIS :FLIP no HE2:sc= -2.13! C(o=-5!,f=-2.1!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 6.288 -4.336 -3.243 1.00 0.00 N ATOM 2 CA GLN A 1 6.198 -4.854 -1.859 1.00 0.00 C ATOM 3 C GLN A 1 5.011 -4.288 -1.170 1.00 0.00 C ATOM 4 O GLN A 1 4.739 -3.092 -1.272 1.00 0.00 O ATOM 5 CB GLN A 1 7.424 -4.418 -1.037 1.00 0.00 C ATOM 6 CG GLN A 1 8.738 -5.030 -1.528 1.00 0.00 C ATOM 7 CD GLN A 1 9.854 -4.521 -0.619 1.00 0.00 C ATOM 8 OE1 GLN A 1 9.862 -4.776 0.592 1.00 0.00 O ATOM 9 NE2 GLN A 1 10.818 -3.776 -1.238 1.00 0.00 N ATOM 0 H1 GLN A 1 7.094 -4.780 -3.728 1.00 0.00 H new ATOM 0 H2 GLN A 1 5.410 -4.559 -3.755 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.423 -3.305 -3.220 1.00 0.00 H new ATOM 0 HA GLN A 1 6.136 -5.940 -1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.505 -3.331 -1.068 1.00 0.00 H new ATOM 0 HB3 GLN A 1 7.270 -4.696 0.006 1.00 0.00 H new ATOM 0 HG2 GLN A 1 8.687 -6.118 -1.499 1.00 0.00 H new ATOM 0 HG3 GLN A 1 8.929 -4.747 -2.563 1.00 0.00 H new ATOM 0 HE21 GLN A 1 10.759 -3.598 -2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 1 11.596 -3.398 -0.697 1.00 0.00 H new ATOM 20 N ASP A 2 4.298 -5.155 -0.419 1.00 0.00 N ATOM 21 CA ASP A 2 3.254 -4.722 0.465 1.00 0.00 C ATOM 22 C ASP A 2 3.657 -5.178 1.819 1.00 0.00 C ATOM 23 O ASP A 2 2.886 -5.784 2.562 1.00 0.00 O ATOM 24 CB ASP A 2 1.871 -5.309 0.160 1.00 0.00 C ATOM 25 CG ASP A 2 1.454 -4.885 -1.240 1.00 0.00 C ATOM 26 OD1 ASP A 2 1.302 -3.655 -1.464 1.00 0.00 O ATOM 27 OD2 ASP A 2 1.282 -5.786 -2.104 1.00 0.00 O ATOM 0 H ASP A 2 4.447 -6.164 -0.425 1.00 0.00 H new ATOM 0 HA ASP A 2 3.148 -3.642 0.359 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.899 -6.396 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.143 -4.959 0.892 1.00 0.00 H new ATOM 32 N ASN A 3 4.911 -4.829 2.153 1.00 0.00 N ATOM 33 CA ASN A 3 5.457 -4.959 3.468 1.00 0.00 C ATOM 34 C ASN A 3 5.416 -3.586 4.039 1.00 0.00 C ATOM 35 O ASN A 3 5.640 -3.382 5.230 1.00 0.00 O ATOM 36 CB ASN A 3 6.911 -5.453 3.481 1.00 0.00 C ATOM 37 CG ASN A 3 6.931 -6.868 2.911 1.00 0.00 C ATOM 38 OD1 ASN A 3 6.264 -7.774 3.426 1.00 0.00 O ATOM 39 ND2 ASN A 3 7.730 -7.049 1.818 1.00 0.00 N ATOM 0 H ASN A 3 5.572 -4.440 1.480 1.00 0.00 H new ATOM 0 HA ASN A 3 4.884 -5.697 4.030 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.543 -4.793 2.887 1.00 0.00 H new ATOM 0 HB3 ASN A 3 7.308 -5.445 4.496 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.799 -7.969 1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.258 -6.264 1.436 1.00 0.00 H new ATOM 46 N SER A 4 5.120 -2.611 3.153 1.00 0.00 N ATOM 47 CA SER A 4 4.973 -1.233 3.501 1.00 0.00 C ATOM 48 C SER A 4 3.543 -0.965 3.832 1.00 0.00 C ATOM 49 O SER A 4 3.236 0.084 4.388 1.00 0.00 O ATOM 50 CB SER A 4 5.357 -0.300 2.343 1.00 0.00 C ATOM 51 OG SER A 4 6.704 -0.534 1.962 1.00 0.00 O ATOM 0 H SER A 4 4.979 -2.793 2.159 1.00 0.00 H new ATOM 0 HA SER A 4 5.633 -1.040 4.347 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.695 -0.468 1.494 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.230 0.740 2.645 1.00 0.00 H new ATOM 0 HG SER A 4 6.943 0.062 1.222 1.00 0.00 H new ATOM 57 N ARG A 5 2.632 -1.900 3.478 1.00 0.00 N ATOM 58 CA ARG A 5 1.229 -1.730 3.727 1.00 0.00 C ATOM 59 C ARG A 5 0.983 -1.929 5.190 1.00 0.00 C ATOM 60 O ARG A 5 0.280 -1.120 5.806 1.00 0.00 O ATOM 61 CB ARG A 5 0.345 -2.692 2.903 1.00 0.00 C ATOM 62 CG ARG A 5 -1.169 -2.426 2.990 1.00 0.00 C ATOM 63 CD ARG A 5 -1.596 -1.051 2.469 1.00 0.00 C ATOM 64 NE ARG A 5 -3.079 -0.954 2.595 1.00 0.00 N ATOM 65 CZ ARG A 5 -3.726 0.192 2.231 1.00 0.00 C ATOM 66 NH1 ARG A 5 -3.021 1.254 1.746 1.00 0.00 N ATOM 67 NH2 ARG A 5 -5.083 0.275 2.350 1.00 0.00 N ATOM 0 H ARG A 5 2.871 -2.778 3.017 1.00 0.00 H new ATOM 0 HA ARG A 5 0.951 -0.723 3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.649 -2.634 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.538 -3.712 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.695 -3.196 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.484 -2.522 4.029 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.112 -0.259 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.292 -0.925 1.430 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.612 -1.746 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -2.007 1.194 1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -3.508 2.108 1.475 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -5.613 -0.519 2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -5.567 1.131 2.078 1.00 0.00 H new ATOM 81 N TYR A 6 1.588 -2.997 5.774 1.00 0.00 N ATOM 82 CA TYR A 6 1.650 -3.191 7.167 1.00 0.00 C ATOM 83 C TYR A 6 2.281 -2.041 7.846 1.00 0.00 C ATOM 84 O TYR A 6 1.632 -1.505 8.724 1.00 0.00 O ATOM 85 CB TYR A 6 2.500 -4.420 7.294 1.00 0.00 C ATOM 86 CG TYR A 6 3.065 -4.691 8.615 1.00 0.00 C ATOM 87 CD1 TYR A 6 2.301 -4.825 9.744 1.00 0.00 C ATOM 88 CD2 TYR A 6 4.401 -4.984 8.641 1.00 0.00 C ATOM 89 CE1 TYR A 6 2.884 -5.226 10.920 1.00 0.00 C ATOM 90 CE2 TYR A 6 4.997 -5.366 9.819 1.00 0.00 C ATOM 91 CZ TYR A 6 4.241 -5.469 10.973 1.00 0.00 C ATOM 92 OH TYR A 6 4.845 -5.836 12.194 1.00 0.00 O ATOM 0 H TYR A 6 2.042 -3.738 5.240 1.00 0.00 H new ATOM 0 HA TYR A 6 0.667 -3.291 7.628 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.901 -5.281 6.996 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.321 -4.341 6.582 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.242 -4.616 9.709 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.987 -4.915 7.736 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.279 -5.352 11.806 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.054 -5.585 9.844 1.00 0.00 H new ATOM 0 HH TYR A 6 5.806 -5.971 12.056 1.00 0.00 H new ATOM 102 N THR A 7 3.508 -1.595 7.506 1.00 0.00 N ATOM 103 CA THR A 7 4.106 -0.616 8.352 1.00 0.00 C ATOM 104 C THR A 7 3.665 0.803 8.119 1.00 0.00 C ATOM 105 O THR A 7 4.090 1.689 8.855 1.00 0.00 O ATOM 106 CB THR A 7 5.595 -0.644 8.387 1.00 0.00 C ATOM 107 OG1 THR A 7 6.144 -0.038 7.225 1.00 0.00 O ATOM 108 CG2 THR A 7 6.111 -2.079 8.543 1.00 0.00 C ATOM 0 H THR A 7 4.054 -1.892 6.697 1.00 0.00 H new ATOM 0 HA THR A 7 3.722 -0.934 9.321 1.00 0.00 H new ATOM 0 HB THR A 7 5.919 -0.069 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.122 -0.067 7.272 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.201 -2.073 8.566 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.731 -2.503 9.472 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.769 -2.682 7.702 1.00 0.00 H new ATOM 116 N HIS A 8 2.774 1.061 7.134 1.00 0.00 N ATOM 117 CA HIS A 8 2.130 2.342 7.034 1.00 0.00 C ATOM 118 C HIS A 8 0.922 2.336 7.917 1.00 0.00 C ATOM 119 O HIS A 8 0.570 3.364 8.497 1.00 0.00 O ATOM 120 CB HIS A 8 1.769 2.758 5.605 1.00 0.00 C ATOM 121 CG HIS A 8 3.013 3.019 4.803 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.306 2.681 5.043 1.00 0.00 N flip ATOM 123 CD2 HIS A 8 2.986 3.690 3.612 1.00 0.00 C flip ATOM 124 CE1 HIS A 8 5.046 3.159 3.996 1.00 0.00 C flip ATOM 125 NE2 HIS A 8 4.227 3.764 3.147 1.00 0.00 N flip ATOM 0 H HIS A 8 2.503 0.390 6.415 1.00 0.00 H new ATOM 0 HA HIS A 8 2.847 3.094 7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 8 1.180 1.974 5.129 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.148 3.654 5.626 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.106 4.091 3.132 1.00 0.00 H new ATOM 0 HE1 HIS A 8 6.115 3.060 3.881 1.00 0.00 H new ATOM 0 HE2 HIS A 8 4.506 4.214 2.275 1.00 0.00 H new ATOM 134 N PHE A 9 0.305 1.143 8.083 1.00 0.00 N ATOM 135 CA PHE A 9 -0.651 0.883 9.137 1.00 0.00 C ATOM 136 C PHE A 9 -0.003 0.992 10.505 1.00 0.00 C ATOM 137 O PHE A 9 -0.685 1.333 11.464 1.00 0.00 O ATOM 138 CB PHE A 9 -1.376 -0.478 8.942 1.00 0.00 C ATOM 139 CG PHE A 9 -1.912 -1.107 10.193 1.00 0.00 C ATOM 140 CD1 PHE A 9 -3.098 -0.667 10.753 1.00 0.00 C ATOM 141 CD2 PHE A 9 -1.281 -2.205 10.756 1.00 0.00 C ATOM 142 CE1 PHE A 9 -3.621 -1.311 11.854 1.00 0.00 C ATOM 143 CE2 PHE A 9 -1.821 -2.864 11.841 1.00 0.00 C ATOM 144 CZ PHE A 9 -3.002 -2.413 12.393 1.00 0.00 C ATOM 0 H PHE A 9 0.471 0.341 7.475 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.419 1.654 9.079 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.202 -0.334 8.246 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.682 -1.176 8.473 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.614 0.181 10.328 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.348 -2.552 10.337 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.533 -0.943 12.301 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.322 -3.728 12.256 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.436 -2.921 13.241 1.00 0.00 H new ATOM 154 N LEU A 10 1.316 0.711 10.639 1.00 0.00 N ATOM 155 CA LEU A 10 2.039 0.828 11.886 1.00 0.00 C ATOM 156 C LEU A 10 2.532 2.224 12.128 1.00 0.00 C ATOM 157 O LEU A 10 2.772 2.567 13.281 1.00 0.00 O ATOM 158 CB LEU A 10 3.307 -0.050 12.017 1.00 0.00 C ATOM 159 CG LEU A 10 3.109 -1.582 12.123 1.00 0.00 C ATOM 160 CD1 LEU A 10 3.399 -2.151 13.495 1.00 0.00 C ATOM 161 CD2 LEU A 10 1.701 -2.086 11.894 1.00 0.00 C ATOM 0 H LEU A 10 1.896 0.394 9.862 1.00 0.00 H new ATOM 0 HA LEU A 10 1.286 0.500 12.602 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.943 0.148 11.154 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.855 0.280 12.900 1.00 0.00 H new ATOM 0 HG LEU A 10 3.802 -1.900 11.344 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.236 -3.229 13.484 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.435 -1.943 13.764 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.735 -1.691 14.227 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.682 -3.171 11.993 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.032 -1.643 12.631 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.373 -1.807 10.892 1.00 0.00 H new ATOM 173 N THR A 11 2.719 3.074 11.088 1.00 0.00 N ATOM 174 CA THR A 11 3.082 4.446 11.363 1.00 0.00 C ATOM 175 C THR A 11 1.897 5.164 11.905 1.00 0.00 C ATOM 176 O THR A 11 2.027 5.973 12.821 1.00 0.00 O ATOM 177 CB THR A 11 3.665 5.261 10.233 1.00 0.00 C ATOM 178 OG1 THR A 11 2.878 5.155 9.059 1.00 0.00 O ATOM 179 CG2 THR A 11 5.107 4.800 9.955 1.00 0.00 C ATOM 0 H THR A 11 2.625 2.830 10.102 1.00 0.00 H new ATOM 0 HA THR A 11 3.902 4.355 12.075 1.00 0.00 H new ATOM 0 HB THR A 11 3.670 6.309 10.532 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.133 4.539 9.219 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.526 5.389 9.139 1.00 0.00 H new ATOM 0 HG22 THR A 11 5.712 4.938 10.851 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.105 3.746 9.678 1.00 0.00 H new ATOM 187 N GLN A 12 0.714 4.850 11.360 1.00 0.00 N ATOM 188 CA GLN A 12 -0.537 5.307 11.833 1.00 0.00 C ATOM 189 C GLN A 12 -0.859 4.784 13.195 1.00 0.00 C ATOM 190 O GLN A 12 -1.091 5.577 14.099 1.00 0.00 O ATOM 191 CB GLN A 12 -1.492 4.745 10.788 1.00 0.00 C ATOM 192 CG GLN A 12 -2.678 5.555 10.313 1.00 0.00 C ATOM 193 CD GLN A 12 -2.332 7.008 9.995 1.00 0.00 C ATOM 194 OE1 GLN A 12 -2.996 7.928 10.486 1.00 0.00 O ATOM 195 NE2 GLN A 12 -1.294 7.204 9.127 1.00 0.00 N ATOM 0 H GLN A 12 0.633 4.243 10.544 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.581 6.390 11.946 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.897 4.500 9.908 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.881 3.806 11.181 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.096 5.086 9.422 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.454 5.533 11.079 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.783 6.404 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.031 8.150 8.852 1.00 0.00 H new ATOM 204 N HIS A 13 -0.903 3.450 13.372 1.00 0.00 N ATOM 205 CA HIS A 13 -1.593 2.873 14.484 1.00 0.00 C ATOM 206 C HIS A 13 -0.723 1.958 15.282 1.00 0.00 C ATOM 207 O HIS A 13 -1.228 1.035 15.917 1.00 0.00 O ATOM 208 CB HIS A 13 -2.783 2.029 14.016 1.00 0.00 C ATOM 209 CG HIS A 13 -3.814 2.802 13.255 1.00 0.00 C ATOM 210 ND1 HIS A 13 -4.089 2.821 11.931 1.00 0.00 N flip ATOM 211 CD2 HIS A 13 -4.816 3.486 13.886 1.00 0.00 C flip ATOM 212 CE1 HIS A 13 -5.272 3.491 11.775 1.00 0.00 C flip ATOM 213 NE2 HIS A 13 -5.693 3.875 12.973 1.00 0.00 N flip ATOM 0 H HIS A 13 -0.463 2.774 12.748 1.00 0.00 H new ATOM 0 HA HIS A 13 -1.913 3.718 15.094 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -2.415 1.217 13.388 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.255 1.571 14.885 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -3.521 2.413 11.188 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.881 3.676 14.947 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -5.776 3.675 10.838 1.00 0.00 H new ATOM 222 N TYR A 14 0.600 2.183 15.295 1.00 0.00 N ATOM 223 CA TYR A 14 1.435 1.530 16.256 1.00 0.00 C ATOM 224 C TYR A 14 2.314 2.604 16.796 1.00 0.00 C ATOM 225 O TYR A 14 2.853 3.424 16.055 1.00 0.00 O ATOM 226 CB TYR A 14 2.277 0.395 15.643 1.00 0.00 C ATOM 227 CG TYR A 14 3.056 -0.373 16.656 1.00 0.00 C ATOM 228 CD1 TYR A 14 2.514 -1.492 17.262 1.00 0.00 C ATOM 229 CD2 TYR A 14 4.383 -0.060 16.890 1.00 0.00 C ATOM 230 CE1 TYR A 14 3.273 -2.250 18.132 1.00 0.00 C ATOM 231 CE2 TYR A 14 5.120 -0.781 17.799 1.00 0.00 C ATOM 232 CZ TYR A 14 4.552 -1.850 18.454 1.00 0.00 C ATOM 233 OH TYR A 14 5.331 -2.587 19.365 1.00 0.00 O ATOM 0 H TYR A 14 1.088 2.806 14.652 1.00 0.00 H new ATOM 0 HA TYR A 14 0.832 1.050 17.027 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.618 -0.288 15.107 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.964 0.817 14.909 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.493 -1.774 17.054 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.843 0.757 16.354 1.00 0.00 H new ATOM 0 HE1 TYR A 14 2.865 -3.154 18.559 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.146 -0.508 17.999 1.00 0.00 H new ATOM 0 HH TYR A 14 6.206 -2.157 19.470 1.00 0.00 H new ATOM 243 N ASP A 15 2.488 2.601 18.126 1.00 0.00 N ATOM 244 CA ASP A 15 3.466 3.417 18.760 1.00 0.00 C ATOM 245 C ASP A 15 3.734 2.610 19.972 1.00 0.00 C ATOM 246 O ASP A 15 2.864 2.510 20.828 1.00 0.00 O ATOM 247 CB ASP A 15 2.990 4.825 19.167 1.00 0.00 C ATOM 248 CG ASP A 15 4.182 5.532 19.798 1.00 0.00 C ATOM 249 OD1 ASP A 15 5.221 5.681 19.100 1.00 0.00 O ATOM 250 OD2 ASP A 15 4.067 5.949 20.981 1.00 0.00 O ATOM 0 H ASP A 15 1.943 2.025 18.768 1.00 0.00 H new ATOM 0 HA ASP A 15 4.308 3.629 18.102 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.630 5.376 18.299 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.161 4.763 19.872 1.00 0.00 H new ATOM 255 N ALA A 16 4.929 1.985 20.023 1.00 0.00 N ATOM 256 CA ALA A 16 5.320 0.909 20.912 1.00 0.00 C ATOM 257 C ALA A 16 4.990 1.023 22.366 1.00 0.00 C ATOM 258 O ALA A 16 4.682 0.013 22.996 1.00 0.00 O ATOM 259 CB ALA A 16 6.818 0.585 20.849 1.00 0.00 C ATOM 0 H ALA A 16 5.687 2.249 19.394 1.00 0.00 H new ATOM 0 HA ALA A 16 4.689 0.121 20.500 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.044 -0.229 21.538 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.083 0.286 19.835 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.393 1.468 21.129 1.00 0.00 H new ATOM 265 N LYS A 17 5.051 2.239 22.933 1.00 0.00 N ATOM 266 CA LYS A 17 4.568 2.434 24.268 1.00 0.00 C ATOM 267 C LYS A 17 3.974 3.809 24.343 1.00 0.00 C ATOM 268 O LYS A 17 4.380 4.677 23.570 1.00 0.00 O ATOM 269 CB LYS A 17 5.665 2.294 25.351 1.00 0.00 C ATOM 270 CG LYS A 17 6.876 3.224 25.177 1.00 0.00 C ATOM 271 CD LYS A 17 7.939 3.010 26.262 1.00 0.00 C ATOM 272 CE LYS A 17 9.129 3.961 26.112 1.00 0.00 C ATOM 273 NZ LYS A 17 10.113 3.721 27.190 1.00 0.00 N ATOM 0 H LYS A 17 5.426 3.073 22.481 1.00 0.00 H new ATOM 0 HA LYS A 17 3.834 1.654 24.473 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.217 2.485 26.326 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.017 1.262 25.358 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.322 3.055 24.197 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.541 4.261 25.200 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.486 3.152 27.243 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.294 1.980 26.221 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.600 3.815 25.140 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.785 4.995 26.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.916 4.372 27.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.663 3.882 28.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.453 2.740 27.137 1.00 0.00 H new ATOM 287 N PRO A 18 3.044 4.064 25.251 1.00 0.00 N ATOM 288 CA PRO A 18 2.635 5.387 25.610 1.00 0.00 C ATOM 289 C PRO A 18 3.755 6.014 26.377 1.00 0.00 C ATOM 290 O PRO A 18 4.396 5.340 27.184 1.00 0.00 O ATOM 291 CB PRO A 18 1.435 5.181 26.544 1.00 0.00 C ATOM 292 CG PRO A 18 1.510 3.725 27.004 1.00 0.00 C ATOM 293 CD PRO A 18 2.134 3.073 25.787 1.00 0.00 C ATOM 0 HA PRO A 18 2.387 6.015 24.755 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.479 5.862 27.394 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.497 5.379 26.025 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.123 3.605 27.897 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.527 3.314 27.235 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.662 2.159 26.057 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.375 2.798 25.055 1.00 0.00 H new ATOM 301 N GLN A 19 3.959 7.329 26.157 1.00 0.00 N ATOM 302 CA GLN A 19 4.819 8.118 26.984 1.00 0.00 C ATOM 303 C GLN A 19 3.999 8.446 28.184 1.00 0.00 C ATOM 304 O GLN A 19 4.412 8.220 29.320 1.00 0.00 O ATOM 305 CB GLN A 19 5.278 9.429 26.319 1.00 0.00 C ATOM 306 CG GLN A 19 6.488 9.269 25.383 1.00 0.00 C ATOM 307 CD GLN A 19 6.117 8.467 24.133 1.00 0.00 C ATOM 308 OE1 GLN A 19 5.374 8.946 23.268 1.00 0.00 O ATOM 309 NE2 GLN A 19 6.668 7.217 24.046 1.00 0.00 N ATOM 0 H GLN A 19 3.521 7.849 25.396 1.00 0.00 H new ATOM 0 HA GLN A 19 5.731 7.563 27.203 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.446 9.847 25.752 1.00 0.00 H new ATOM 0 HB3 GLN A 19 5.527 10.151 27.097 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.858 10.252 25.091 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.298 8.768 25.913 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.274 6.874 24.791 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.472 6.629 23.236 1.00 0.00 H new ATOM 318 N GLY A 20 2.788 8.960 27.920 1.00 0.00 N ATOM 319 CA GLY A 20 1.749 9.020 28.903 1.00 0.00 C ATOM 320 C GLY A 20 0.557 8.507 28.195 1.00 0.00 C ATOM 321 O GLY A 20 0.623 8.163 27.019 1.00 0.00 O ATOM 0 H GLY A 20 2.523 9.340 27.011 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.988 8.411 29.775 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.594 10.039 29.259 1.00 0.00 H new ATOM 325 N ARG A 21 -0.571 8.450 28.916 1.00 0.00 N ATOM 326 CA ARG A 21 -1.813 7.975 28.369 1.00 0.00 C ATOM 327 C ARG A 21 -2.772 9.099 28.579 1.00 0.00 C ATOM 328 O ARG A 21 -3.832 8.927 29.178 1.00 0.00 O ATOM 329 CB ARG A 21 -2.348 6.705 29.071 1.00 0.00 C ATOM 330 CG ARG A 21 -1.485 5.453 28.826 1.00 0.00 C ATOM 331 CD ARG A 21 -1.847 4.273 29.733 1.00 0.00 C ATOM 332 NE ARG A 21 -3.234 3.830 29.408 1.00 0.00 N ATOM 333 CZ ARG A 21 -3.964 3.082 30.287 1.00 0.00 C ATOM 334 NH1 ARG A 21 -3.436 2.712 31.489 1.00 0.00 N ATOM 335 NH2 ARG A 21 -5.226 2.685 29.953 1.00 0.00 N ATOM 0 H ARG A 21 -0.630 8.736 29.893 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.679 7.694 27.324 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.407 6.891 30.143 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.363 6.509 28.725 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.591 5.147 27.785 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -0.436 5.709 28.978 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.144 3.453 29.586 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.779 4.567 30.781 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.645 4.091 28.512 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.488 2.994 31.738 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.989 2.153 32.139 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.621 2.947 29.050 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.775 2.126 30.607 1.00 0.00 H new ATOM 349 N ASP A 22 -2.380 10.298 28.098 1.00 0.00 N ATOM 350 CA ASP A 22 -3.095 11.504 28.388 1.00 0.00 C ATOM 351 C ASP A 22 -3.130 12.332 27.147 1.00 0.00 C ATOM 352 O ASP A 22 -2.614 11.929 26.103 1.00 0.00 O ATOM 353 CB ASP A 22 -2.493 12.311 29.563 1.00 0.00 C ATOM 354 CG ASP A 22 -1.118 12.889 29.231 1.00 0.00 C ATOM 355 OD1 ASP A 22 -0.178 12.110 28.927 1.00 0.00 O ATOM 356 OD2 ASP A 22 -0.992 14.140 29.306 1.00 0.00 O ATOM 0 H ASP A 22 -1.561 10.430 27.504 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.101 11.232 28.708 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.171 13.123 29.827 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.411 11.666 30.438 1.00 0.00 H new ATOM 361 N ASP A 23 -3.758 13.524 27.257 1.00 0.00 N ATOM 362 CA ASP A 23 -4.057 14.399 26.157 1.00 0.00 C ATOM 363 C ASP A 23 -2.834 15.025 25.554 1.00 0.00 C ATOM 364 O ASP A 23 -2.866 15.424 24.392 1.00 0.00 O ATOM 365 CB ASP A 23 -5.049 15.528 26.529 1.00 0.00 C ATOM 366 CG ASP A 23 -4.456 16.510 27.538 1.00 0.00 C ATOM 367 OD1 ASP A 23 -4.174 16.101 28.695 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.298 17.703 27.160 1.00 0.00 O ATOM 0 H ASP A 23 -4.071 13.894 28.154 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.523 13.744 25.421 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.338 16.067 25.627 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.957 15.089 26.942 1.00 0.00 H new ATOM 373 N ARG A 24 -1.728 15.115 26.328 1.00 0.00 N ATOM 374 CA ARG A 24 -0.503 15.702 25.872 1.00 0.00 C ATOM 375 C ARG A 24 0.329 14.678 25.168 1.00 0.00 C ATOM 376 O ARG A 24 1.209 15.049 24.393 1.00 0.00 O ATOM 377 CB ARG A 24 0.359 16.282 27.009 1.00 0.00 C ATOM 378 CG ARG A 24 -0.370 17.313 27.885 1.00 0.00 C ATOM 379 CD ARG A 24 -0.808 18.573 27.128 1.00 0.00 C ATOM 380 NE ARG A 24 -1.532 19.467 28.080 1.00 0.00 N ATOM 381 CZ ARG A 24 -0.887 20.404 28.839 1.00 0.00 C ATOM 382 NH1 ARG A 24 0.465 20.562 28.761 1.00 0.00 N ATOM 383 NH2 ARG A 24 -1.610 21.191 29.690 1.00 0.00 N ATOM 0 H ARG A 24 -1.688 14.773 27.288 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.799 16.515 25.209 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.706 15.464 27.641 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.244 16.749 26.577 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.248 16.843 28.327 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.284 17.604 28.707 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.059 19.086 26.711 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.454 18.307 26.291 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.544 19.375 28.167 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.011 19.976 28.129 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.930 21.266 29.334 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.621 21.077 29.755 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.138 21.893 30.260 1.00 0.00 H new ATOM 397 N TYR A 25 0.065 13.369 25.413 1.00 0.00 N ATOM 398 CA TYR A 25 0.737 12.317 24.697 1.00 0.00 C ATOM 399 C TYR A 25 0.112 12.254 23.354 1.00 0.00 C ATOM 400 O TYR A 25 0.825 12.090 22.370 1.00 0.00 O ATOM 401 CB TYR A 25 0.634 10.922 25.354 1.00 0.00 C ATOM 402 CG TYR A 25 0.776 9.787 24.368 1.00 0.00 C ATOM 403 CD1 TYR A 25 1.970 9.480 23.726 1.00 0.00 C ATOM 404 CD2 TYR A 25 -0.329 8.986 24.117 1.00 0.00 C ATOM 405 CE1 TYR A 25 2.043 8.421 22.843 1.00 0.00 C ATOM 406 CE2 TYR A 25 -0.254 7.930 23.233 1.00 0.00 C ATOM 407 CZ TYR A 25 0.932 7.646 22.597 1.00 0.00 C ATOM 408 OH TYR A 25 1.010 6.568 21.693 1.00 0.00 O ATOM 0 H TYR A 25 -0.611 13.044 26.104 1.00 0.00 H new ATOM 0 HA TYR A 25 1.800 12.555 24.678 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.406 10.830 26.118 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.327 10.836 25.860 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.850 10.076 23.920 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.261 9.193 24.621 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.975 8.200 22.344 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.128 7.325 23.040 1.00 0.00 H new ATOM 0 HH TYR A 25 1.950 6.379 21.490 1.00 0.00 H new ATOM 418 N CYS A 26 -1.232 12.377 23.296 1.00 0.00 N ATOM 419 CA CYS A 26 -1.955 12.274 22.063 1.00 0.00 C ATOM 420 C CYS A 26 -1.702 13.427 21.146 1.00 0.00 C ATOM 421 O CYS A 26 -1.653 13.242 19.929 1.00 0.00 O ATOM 422 CB CYS A 26 -3.467 12.185 22.252 1.00 0.00 C ATOM 423 SG CYS A 26 -4.005 10.539 22.763 1.00 0.00 S ATOM 0 H CYS A 26 -1.820 12.549 24.112 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.581 11.348 21.626 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.780 12.914 22.999 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.963 12.452 21.319 1.00 0.00 H new ATOM 428 N GLU A 27 -1.532 14.635 21.715 1.00 0.00 N ATOM 429 CA GLU A 27 -1.259 15.809 20.934 1.00 0.00 C ATOM 430 C GLU A 27 0.144 15.763 20.412 1.00 0.00 C ATOM 431 O GLU A 27 0.374 16.151 19.268 1.00 0.00 O ATOM 432 CB GLU A 27 -1.462 17.137 21.690 1.00 0.00 C ATOM 433 CG GLU A 27 -2.347 18.148 20.941 1.00 0.00 C ATOM 434 CD GLU A 27 -1.654 18.646 19.676 1.00 0.00 C ATOM 435 OE1 GLU A 27 -0.588 19.306 19.805 1.00 0.00 O ATOM 436 OE2 GLU A 27 -2.183 18.375 18.566 1.00 0.00 O ATOM 0 H GLU A 27 -1.583 14.802 22.720 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.987 15.793 20.123 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.909 16.927 22.662 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.489 17.590 21.878 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.297 17.682 20.680 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.574 18.992 21.593 1.00 0.00 H new ATOM 443 N SER A 28 1.112 15.281 21.230 1.00 0.00 N ATOM 444 CA SER A 28 2.479 15.244 20.822 1.00 0.00 C ATOM 445 C SER A 28 2.766 14.146 19.847 1.00 0.00 C ATOM 446 O SER A 28 3.721 14.270 19.086 1.00 0.00 O ATOM 447 CB SER A 28 3.454 15.105 21.999 1.00 0.00 C ATOM 448 OG SER A 28 3.396 13.804 22.564 1.00 0.00 O ATOM 0 H SER A 28 0.940 14.920 22.168 1.00 0.00 H new ATOM 0 HA SER A 28 2.637 16.208 20.338 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.469 15.312 21.660 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.215 15.846 22.762 1.00 0.00 H new ATOM 0 HG SER A 28 2.515 13.412 22.392 1.00 0.00 H new ATOM 454 N ILE A 29 1.957 13.060 19.829 1.00 0.00 N ATOM 455 CA ILE A 29 2.185 11.992 18.896 1.00 0.00 C ATOM 456 C ILE A 29 1.577 12.337 17.588 1.00 0.00 C ATOM 457 O ILE A 29 2.127 11.979 16.555 1.00 0.00 O ATOM 458 CB ILE A 29 1.846 10.575 19.340 1.00 0.00 C ATOM 459 CG1 ILE A 29 2.312 9.554 18.288 1.00 0.00 C ATOM 460 CG2 ILE A 29 0.353 10.358 19.632 1.00 0.00 C ATOM 461 CD1 ILE A 29 2.522 8.176 18.876 1.00 0.00 C ATOM 0 H ILE A 29 1.159 12.924 20.450 1.00 0.00 H new ATOM 0 HA ILE A 29 3.270 11.929 18.815 1.00 0.00 H new ATOM 0 HB ILE A 29 2.379 10.425 20.279 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.573 9.496 17.489 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.242 9.900 17.837 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.189 9.326 19.942 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.036 11.031 20.429 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.227 10.563 18.732 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.850 7.492 18.093 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.281 8.225 19.657 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.586 7.816 19.303 1.00 0.00 H new ATOM 473 N MET A 30 0.451 13.072 17.576 1.00 0.00 N ATOM 474 CA MET A 30 -0.134 13.435 16.315 1.00 0.00 C ATOM 475 C MET A 30 0.619 14.579 15.691 1.00 0.00 C ATOM 476 O MET A 30 0.550 14.760 14.480 1.00 0.00 O ATOM 477 CB MET A 30 -1.626 13.767 16.404 1.00 0.00 C ATOM 478 CG MET A 30 -2.471 12.569 16.873 1.00 0.00 C ATOM 479 SD MET A 30 -3.499 11.856 15.560 1.00 0.00 S ATOM 480 CE MET A 30 -4.653 11.041 16.690 1.00 0.00 C ATOM 0 H MET A 30 -0.042 13.407 18.404 1.00 0.00 H new ATOM 0 HA MET A 30 -0.052 12.553 15.680 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.769 14.600 17.093 1.00 0.00 H new ATOM 0 HB3 MET A 30 -1.980 14.097 15.427 1.00 0.00 H new ATOM 0 HG2 MET A 30 -1.808 11.797 17.265 1.00 0.00 H new ATOM 0 HG3 MET A 30 -3.113 12.886 17.695 1.00 0.00 H new ATOM 0 HE1 MET A 30 -5.607 10.886 16.186 1.00 0.00 H new ATOM 0 HE2 MET A 30 -4.243 10.078 16.997 1.00 0.00 H new ATOM 0 HE3 MET A 30 -4.805 11.667 17.569 1.00 0.00 H new ATOM 490 N ARG A 31 1.379 15.359 16.494 1.00 0.00 N ATOM 491 CA ARG A 31 2.291 16.346 15.981 1.00 0.00 C ATOM 492 C ARG A 31 3.500 15.716 15.350 1.00 0.00 C ATOM 493 O ARG A 31 3.922 16.154 14.280 1.00 0.00 O ATOM 494 CB ARG A 31 2.817 17.301 17.070 1.00 0.00 C ATOM 495 CG ARG A 31 1.906 18.512 17.312 1.00 0.00 C ATOM 496 CD ARG A 31 2.055 19.571 16.216 1.00 0.00 C ATOM 497 NE ARG A 31 1.067 20.661 16.463 1.00 0.00 N ATOM 498 CZ ARG A 31 0.753 21.549 15.472 1.00 0.00 C ATOM 499 NH1 ARG A 31 1.274 21.407 14.219 1.00 0.00 N ATOM 500 NH2 ARG A 31 -0.081 22.595 15.738 1.00 0.00 N ATOM 0 H ARG A 31 1.360 15.303 17.512 1.00 0.00 H new ATOM 0 HA ARG A 31 1.707 16.900 15.247 1.00 0.00 H new ATOM 0 HB2 ARG A 31 2.930 16.749 18.003 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.809 17.653 16.786 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.868 18.181 17.358 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.142 18.956 18.279 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.068 19.973 16.215 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.888 19.125 15.235 1.00 0.00 H new ATOM 0 HE ARG A 31 0.623 20.744 17.377 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.905 20.632 14.014 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.033 22.076 13.488 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.468 22.713 16.674 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.317 23.259 15.001 1.00 0.00 H new ATOM 514 N ARG A 32 4.100 14.699 16.012 1.00 0.00 N ATOM 515 CA ARG A 32 5.347 14.112 15.584 1.00 0.00 C ATOM 516 C ARG A 32 5.162 13.194 14.415 1.00 0.00 C ATOM 517 O ARG A 32 5.997 13.179 13.510 1.00 0.00 O ATOM 518 CB ARG A 32 6.032 13.286 16.683 1.00 0.00 C ATOM 519 CG ARG A 32 6.634 14.160 17.791 1.00 0.00 C ATOM 520 CD ARG A 32 6.992 13.361 19.045 1.00 0.00 C ATOM 521 NE ARG A 32 7.374 14.341 20.104 1.00 0.00 N ATOM 522 CZ ARG A 32 7.382 13.989 21.424 1.00 0.00 C ATOM 523 NH1 ARG A 32 7.074 12.715 21.805 1.00 0.00 N ATOM 524 NH2 ARG A 32 7.699 14.923 22.369 1.00 0.00 N ATOM 0 H ARG A 32 3.715 14.277 16.857 1.00 0.00 H new ATOM 0 HA ARG A 32 5.969 14.967 15.318 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.308 12.599 17.121 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.819 12.678 16.238 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.529 14.654 17.412 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.925 14.944 18.055 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.145 12.756 19.369 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.815 12.675 18.842 1.00 0.00 H new ATOM 0 HE ARG A 32 7.634 15.291 19.837 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.835 12.016 21.102 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.083 12.462 22.793 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.928 15.876 22.087 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.707 14.667 23.356 1.00 0.00 H new ATOM 538 N ARG A 33 4.067 12.402 14.418 1.00 0.00 N ATOM 539 CA ARG A 33 3.769 11.464 13.372 1.00 0.00 C ATOM 540 C ARG A 33 3.250 12.184 12.162 1.00 0.00 C ATOM 541 O ARG A 33 3.463 11.739 11.034 1.00 0.00 O ATOM 542 CB ARG A 33 2.719 10.429 13.822 1.00 0.00 C ATOM 543 CG ARG A 33 2.966 8.981 13.380 1.00 0.00 C ATOM 544 CD ARG A 33 4.276 8.357 13.893 1.00 0.00 C ATOM 545 NE ARG A 33 4.404 8.581 15.362 1.00 0.00 N ATOM 546 CZ ARG A 33 5.556 8.239 16.011 1.00 0.00 C ATOM 547 NH1 ARG A 33 6.566 7.614 15.338 1.00 0.00 N ATOM 548 NH2 ARG A 33 5.703 8.525 17.338 1.00 0.00 N ATOM 0 H ARG A 33 3.373 12.414 15.165 1.00 0.00 H new ATOM 0 HA ARG A 33 4.695 10.942 13.130 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.661 10.450 14.910 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.745 10.742 13.444 1.00 0.00 H new ATOM 0 HG2 ARG A 33 2.132 8.367 13.719 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.967 8.945 12.291 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.289 7.289 13.677 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.127 8.798 13.374 1.00 0.00 H new ATOM 0 HE ARG A 33 3.629 8.991 15.883 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.462 7.400 14.346 1.00 0.00 H new ATOM 0 HH12 ARG A 33 7.424 7.361 15.827 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.952 8.994 17.845 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.563 8.269 17.823 1.00 0.00 H new ATOM 562 N GLY A 34 2.576 13.332 12.386 1.00 0.00 N ATOM 563 CA GLY A 34 2.200 14.233 11.333 1.00 0.00 C ATOM 564 C GLY A 34 0.846 13.871 10.824 1.00 0.00 C ATOM 565 O GLY A 34 0.652 13.701 9.622 1.00 0.00 O ATOM 0 H GLY A 34 2.287 13.640 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.199 15.259 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.928 14.186 10.523 1.00 0.00 H new ATOM 569 N LEU A 35 -0.125 13.759 11.756 1.00 0.00 N ATOM 570 CA LEU A 35 -1.494 13.464 11.442 1.00 0.00 C ATOM 571 C LEU A 35 -2.308 14.595 11.984 1.00 0.00 C ATOM 572 O LEU A 35 -3.515 14.474 12.184 1.00 0.00 O ATOM 573 CB LEU A 35 -2.037 12.232 12.180 1.00 0.00 C ATOM 574 CG LEU A 35 -1.195 10.938 12.081 1.00 0.00 C ATOM 575 CD1 LEU A 35 -1.847 9.798 12.886 1.00 0.00 C ATOM 576 CD2 LEU A 35 -0.947 10.503 10.626 1.00 0.00 C ATOM 0 H LEU A 35 0.047 13.877 12.754 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.551 13.302 10.366 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.147 12.487 13.234 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.035 12.019 11.798 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.221 11.163 12.515 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.237 8.898 12.802 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.922 10.089 13.934 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.844 9.599 12.493 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.351 9.590 10.616 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.902 10.319 10.133 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.412 11.291 10.097 1.00 0.00 H new ATOM 588 N THR A 36 -1.627 15.726 12.251 1.00 0.00 N ATOM 589 CA THR A 36 -2.192 16.882 12.891 1.00 0.00 C ATOM 590 C THR A 36 -2.709 17.811 11.839 1.00 0.00 C ATOM 591 O THR A 36 -3.423 18.767 12.134 1.00 0.00 O ATOM 592 CB THR A 36 -1.172 17.584 13.770 1.00 0.00 C ATOM 593 OG1 THR A 36 -1.691 18.763 14.366 1.00 0.00 O ATOM 594 CG2 THR A 36 0.111 17.923 12.981 1.00 0.00 C ATOM 0 H THR A 36 -0.642 15.842 12.012 1.00 0.00 H new ATOM 0 HA THR A 36 -3.009 16.565 13.539 1.00 0.00 H new ATOM 0 HB THR A 36 -0.926 16.884 14.568 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.624 18.615 14.626 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.821 18.425 13.639 1.00 0.00 H new ATOM 0 HG22 THR A 36 0.557 17.004 12.599 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.137 18.579 12.147 1.00 0.00 H new ATOM 602 N SER A 37 -2.361 17.526 10.569 1.00 0.00 N ATOM 603 CA SER A 37 -2.722 18.389 9.476 1.00 0.00 C ATOM 604 C SER A 37 -3.361 17.550 8.408 1.00 0.00 C ATOM 605 O SER A 37 -2.635 16.851 7.705 1.00 0.00 O ATOM 606 CB SER A 37 -1.506 19.102 8.863 1.00 0.00 C ATOM 607 OG SER A 37 -1.924 19.940 7.796 1.00 0.00 O ATOM 0 H SER A 37 -1.830 16.699 10.296 1.00 0.00 H new ATOM 0 HA SER A 37 -3.399 19.152 9.861 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.999 19.694 9.625 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.788 18.367 8.500 1.00 0.00 H new ATOM 0 HG SER A 37 -1.145 20.392 7.411 1.00 0.00 H new ATOM 613 N PRO A 38 -4.673 17.564 8.193 1.00 0.00 N ATOM 614 CA PRO A 38 -5.710 18.000 9.098 1.00 0.00 C ATOM 615 C PRO A 38 -5.818 16.963 10.180 1.00 0.00 C ATOM 616 O PRO A 38 -5.374 15.831 9.977 1.00 0.00 O ATOM 617 CB PRO A 38 -6.976 18.004 8.239 1.00 0.00 C ATOM 618 CG PRO A 38 -6.720 16.943 7.165 1.00 0.00 C ATOM 619 CD PRO A 38 -5.205 17.008 6.965 1.00 0.00 C ATOM 0 HA PRO A 38 -5.532 18.972 9.558 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.858 17.762 8.832 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.150 18.984 7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.041 15.954 7.491 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.258 17.165 6.243 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.792 16.018 6.772 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.949 17.632 6.109 1.00 0.00 H new ATOM 627 N CYS A 39 -6.399 17.355 11.342 1.00 0.00 N ATOM 628 CA CYS A 39 -6.535 16.516 12.488 1.00 0.00 C ATOM 629 C CYS A 39 -7.409 15.348 12.152 1.00 0.00 C ATOM 630 O CYS A 39 -8.549 15.512 11.717 1.00 0.00 O ATOM 631 CB CYS A 39 -7.217 17.251 13.655 1.00 0.00 C ATOM 632 SG CYS A 39 -6.426 18.830 14.072 1.00 0.00 S ATOM 0 H CYS A 39 -6.784 18.290 11.478 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.530 16.208 12.778 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.261 17.432 13.400 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -7.211 16.607 14.534 1.00 0.00 H new ATOM 637 N LYS A 40 -6.846 14.138 12.354 1.00 0.00 N ATOM 638 CA LYS A 40 -7.515 12.885 12.167 1.00 0.00 C ATOM 639 C LYS A 40 -8.503 12.761 13.283 1.00 0.00 C ATOM 640 O LYS A 40 -8.213 13.159 14.408 1.00 0.00 O ATOM 641 CB LYS A 40 -6.506 11.712 12.222 1.00 0.00 C ATOM 642 CG LYS A 40 -7.078 10.305 11.980 1.00 0.00 C ATOM 643 CD LYS A 40 -7.699 10.092 10.592 1.00 0.00 C ATOM 644 CE LYS A 40 -8.359 8.717 10.438 1.00 0.00 C ATOM 645 NZ LYS A 40 -7.367 7.633 10.615 1.00 0.00 N ATOM 0 H LYS A 40 -5.880 14.030 12.662 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.004 12.849 11.193 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.728 11.896 11.482 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.024 11.721 13.200 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.281 9.575 12.122 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.836 10.101 12.737 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.442 10.868 10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.926 10.205 9.832 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.158 8.608 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.818 8.638 9.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.803 6.720 10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.552 7.803 9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.047 7.613 11.604 1.00 0.00 H new ATOM 659 N ASP A 41 -9.704 12.226 12.969 1.00 0.00 N ATOM 660 CA ASP A 41 -10.806 12.187 13.888 1.00 0.00 C ATOM 661 C ASP A 41 -10.576 11.167 14.961 1.00 0.00 C ATOM 662 O ASP A 41 -10.800 11.449 16.135 1.00 0.00 O ATOM 663 CB ASP A 41 -12.146 11.866 13.200 1.00 0.00 C ATOM 664 CG ASP A 41 -13.276 11.970 14.218 1.00 0.00 C ATOM 665 OD1 ASP A 41 -13.470 13.083 14.779 1.00 0.00 O ATOM 666 OD2 ASP A 41 -13.966 10.940 14.443 1.00 0.00 O ATOM 0 H ASP A 41 -9.912 11.813 12.060 1.00 0.00 H new ATOM 0 HA ASP A 41 -10.865 13.187 14.318 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.319 12.558 12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -12.117 10.863 12.773 1.00 0.00 H new ATOM 671 N ILE A 42 -10.147 9.949 14.581 1.00 0.00 N ATOM 672 CA ILE A 42 -9.901 8.927 15.554 1.00 0.00 C ATOM 673 C ILE A 42 -8.697 8.202 15.059 1.00 0.00 C ATOM 674 O ILE A 42 -8.616 7.842 13.885 1.00 0.00 O ATOM 675 CB ILE A 42 -11.110 8.015 15.794 1.00 0.00 C ATOM 676 CG1 ILE A 42 -10.875 6.957 16.904 1.00 0.00 C ATOM 677 CG2 ILE A 42 -11.669 7.421 14.479 1.00 0.00 C ATOM 678 CD1 ILE A 42 -10.415 5.570 16.432 1.00 0.00 C ATOM 0 H ILE A 42 -9.972 9.673 13.615 1.00 0.00 H new ATOM 0 HA ILE A 42 -9.725 9.352 16.542 1.00 0.00 H new ATOM 0 HB ILE A 42 -11.898 8.656 16.190 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -10.130 7.347 17.597 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -11.802 6.838 17.466 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -12.524 6.783 14.703 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -11.983 8.230 13.819 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -10.895 6.832 13.988 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -10.284 4.917 17.295 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -11.166 5.145 15.766 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.468 5.662 15.900 1.00 0.00 H new ATOM 690 N ASN A 43 -7.721 7.972 15.960 1.00 0.00 N ATOM 691 CA ASN A 43 -6.576 7.205 15.576 1.00 0.00 C ATOM 692 C ASN A 43 -6.062 6.523 16.797 1.00 0.00 C ATOM 693 O ASN A 43 -5.672 7.172 17.766 1.00 0.00 O ATOM 694 CB ASN A 43 -5.447 8.054 14.974 1.00 0.00 C ATOM 695 CG ASN A 43 -4.536 7.135 14.173 1.00 0.00 C ATOM 696 OD1 ASN A 43 -4.887 6.968 12.863 1.00 0.00 O flip ATOM 697 ND2 ASN A 43 -3.557 6.596 14.697 1.00 0.00 N flip ATOM 0 H ASN A 43 -7.722 8.305 16.924 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.887 6.503 14.802 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.858 8.834 14.333 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -4.885 8.553 15.763 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.350 6.762 15.682 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.955 5.984 14.145 1.00 0.00 H new ATOM 704 N THR A 44 -6.054 5.177 16.754 1.00 0.00 N ATOM 705 CA THR A 44 -5.641 4.375 17.867 1.00 0.00 C ATOM 706 C THR A 44 -4.212 4.003 17.686 1.00 0.00 C ATOM 707 O THR A 44 -3.891 3.223 16.795 1.00 0.00 O ATOM 708 CB THR A 44 -6.464 3.120 17.960 1.00 0.00 C ATOM 709 OG1 THR A 44 -7.831 3.492 17.984 1.00 0.00 O ATOM 710 CG2 THR A 44 -6.132 2.337 19.241 1.00 0.00 C ATOM 0 H THR A 44 -6.338 4.638 15.936 1.00 0.00 H new ATOM 0 HA THR A 44 -5.778 4.950 18.783 1.00 0.00 H new ATOM 0 HB THR A 44 -6.245 2.482 17.104 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.390 2.687 17.958 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.741 1.434 19.284 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.077 2.063 19.237 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.342 2.958 20.112 1.00 0.00 H new ATOM 718 N PHE A 45 -3.325 4.528 18.559 1.00 0.00 N ATOM 719 CA PHE A 45 -1.960 4.076 18.580 1.00 0.00 C ATOM 720 C PHE A 45 -1.942 2.901 19.504 1.00 0.00 C ATOM 721 O PHE A 45 -2.268 3.021 20.684 1.00 0.00 O ATOM 722 CB PHE A 45 -0.925 5.102 19.078 1.00 0.00 C ATOM 723 CG PHE A 45 -0.915 6.293 18.173 1.00 0.00 C ATOM 724 CD1 PHE A 45 -0.113 6.374 17.044 1.00 0.00 C ATOM 725 CD2 PHE A 45 -1.713 7.372 18.498 1.00 0.00 C ATOM 726 CE1 PHE A 45 -0.144 7.496 16.243 1.00 0.00 C ATOM 727 CE2 PHE A 45 -1.772 8.478 17.675 1.00 0.00 C ATOM 728 CZ PHE A 45 -0.992 8.539 16.538 1.00 0.00 C ATOM 0 H PHE A 45 -3.547 5.254 19.240 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.666 3.860 17.553 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.165 5.409 20.096 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.065 4.648 19.107 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.540 5.552 16.791 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.297 7.350 19.406 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.501 7.557 15.379 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.430 9.298 17.921 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.047 9.398 15.885 1.00 0.00 H new ATOM 738 N ILE A 46 -1.569 1.730 18.952 1.00 0.00 N ATOM 739 CA ILE A 46 -1.549 0.486 19.664 1.00 0.00 C ATOM 740 C ILE A 46 -0.159 0.368 20.180 1.00 0.00 C ATOM 741 O ILE A 46 0.786 0.892 19.608 1.00 0.00 O ATOM 742 CB ILE A 46 -1.844 -0.694 18.757 1.00 0.00 C ATOM 743 CG1 ILE A 46 -3.244 -0.530 18.124 1.00 0.00 C ATOM 744 CG2 ILE A 46 -1.673 -2.043 19.486 1.00 0.00 C ATOM 745 CD1 ILE A 46 -3.561 -1.604 17.085 1.00 0.00 C ATOM 0 H ILE A 46 -1.272 1.646 17.980 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.308 0.475 20.446 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.111 -0.706 17.951 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.998 -0.560 18.911 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.312 0.452 17.655 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.894 -2.859 18.798 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.647 -2.137 19.842 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.357 -2.088 20.334 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.558 -1.433 16.678 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.828 -1.559 16.280 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.524 -2.587 17.555 1.00 0.00 H new ATOM 757 N HIS A 47 -0.030 -0.345 21.298 1.00 0.00 N ATOM 758 CA HIS A 47 1.179 -0.454 22.060 1.00 0.00 C ATOM 759 C HIS A 47 1.358 -1.880 22.446 1.00 0.00 C ATOM 760 O HIS A 47 0.434 -2.515 22.961 1.00 0.00 O ATOM 761 CB HIS A 47 1.138 0.290 23.397 1.00 0.00 C ATOM 762 CG HIS A 47 0.345 1.558 23.380 1.00 0.00 C ATOM 763 ND1 HIS A 47 0.681 2.626 22.586 1.00 0.00 N ATOM 764 CD2 HIS A 47 -0.690 1.985 24.157 1.00 0.00 C ATOM 765 CE1 HIS A 47 -0.146 3.639 22.912 1.00 0.00 C ATOM 766 NE2 HIS A 47 -0.995 3.301 23.859 1.00 0.00 N ATOM 0 H HIS A 47 -0.803 -0.876 21.699 1.00 0.00 H new ATOM 0 HA HIS A 47 1.965 -0.039 21.430 1.00 0.00 H new ATOM 0 HB2 HIS A 47 0.721 -0.374 24.154 1.00 0.00 H new ATOM 0 HB3 HIS A 47 2.159 0.520 23.702 1.00 0.00 H new ATOM 0 HD1 HIS A 47 1.418 2.649 21.881 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -1.198 1.384 24.897 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.116 4.615 22.450 1.00 0.00 H new ATOM 774 N GLY A 48 2.578 -2.411 22.257 1.00 0.00 N ATOM 775 CA GLY A 48 2.823 -3.737 22.732 1.00 0.00 C ATOM 776 C GLY A 48 4.084 -4.215 22.114 1.00 0.00 C ATOM 777 O GLY A 48 5.149 -3.630 22.309 1.00 0.00 O ATOM 0 H GLY A 48 3.363 -1.949 21.797 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.904 -3.744 23.819 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.995 -4.396 22.469 1.00 0.00 H new ATOM 781 N ASN A 49 3.966 -5.318 21.351 1.00 0.00 N ATOM 782 CA ASN A 49 5.077 -5.940 20.701 1.00 0.00 C ATOM 783 C ASN A 49 4.588 -6.161 19.311 1.00 0.00 C ATOM 784 O ASN A 49 3.435 -6.544 19.116 1.00 0.00 O ATOM 785 CB ASN A 49 5.422 -7.286 21.368 1.00 0.00 C ATOM 786 CG ASN A 49 6.703 -7.894 20.796 1.00 0.00 C ATOM 787 OD1 ASN A 49 7.634 -7.195 20.379 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.742 -9.261 20.815 1.00 0.00 N ATOM 0 H ASN A 49 3.077 -5.788 21.183 1.00 0.00 H new ATOM 0 HA ASN A 49 5.984 -5.337 20.748 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.538 -7.140 22.442 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.596 -7.983 21.228 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.568 -9.752 20.474 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.945 -9.789 21.170 1.00 0.00 H new ATOM 795 N LYS A 50 5.451 -5.913 18.299 1.00 0.00 N ATOM 796 CA LYS A 50 5.000 -5.949 16.935 1.00 0.00 C ATOM 797 C LYS A 50 5.066 -7.340 16.371 1.00 0.00 C ATOM 798 O LYS A 50 4.597 -7.576 15.257 1.00 0.00 O ATOM 799 CB LYS A 50 5.821 -5.116 15.930 1.00 0.00 C ATOM 800 CG LYS A 50 6.308 -3.739 16.385 1.00 0.00 C ATOM 801 CD LYS A 50 7.409 -3.141 15.492 1.00 0.00 C ATOM 802 CE LYS A 50 6.982 -2.879 14.044 1.00 0.00 C ATOM 803 NZ LYS A 50 8.133 -2.396 13.248 1.00 0.00 N ATOM 0 H LYS A 50 6.439 -5.692 18.421 1.00 0.00 H new ATOM 0 HA LYS A 50 3.993 -5.541 17.023 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.693 -5.702 15.640 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.217 -4.980 15.033 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.460 -3.054 16.408 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.683 -3.816 17.405 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.747 -2.203 15.933 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.263 -3.818 15.488 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.585 -3.794 13.604 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.181 -2.141 14.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.829 -2.222 12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.494 -1.512 13.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.886 -3.114 13.255 1.00 0.00 H new ATOM 817 N ARG A 51 5.654 -8.293 17.127 1.00 0.00 N ATOM 818 CA ARG A 51 5.670 -9.681 16.765 1.00 0.00 C ATOM 819 C ARG A 51 4.338 -10.232 17.154 1.00 0.00 C ATOM 820 O ARG A 51 3.818 -11.127 16.489 1.00 0.00 O ATOM 821 CB ARG A 51 6.836 -10.440 17.443 1.00 0.00 C ATOM 822 CG ARG A 51 7.056 -11.920 17.063 1.00 0.00 C ATOM 823 CD ARG A 51 6.261 -12.967 17.867 1.00 0.00 C ATOM 824 NE ARG A 51 6.509 -12.752 19.328 1.00 0.00 N ATOM 825 CZ ARG A 51 5.528 -12.911 20.266 1.00 0.00 C ATOM 826 NH1 ARG A 51 4.271 -13.307 19.914 1.00 0.00 N ATOM 827 NH2 ARG A 51 5.812 -12.664 21.580 1.00 0.00 N ATOM 0 H ARG A 51 6.128 -8.093 18.008 1.00 0.00 H new ATOM 0 HA ARG A 51 5.839 -9.803 15.695 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.757 -9.899 17.226 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.684 -10.391 18.521 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.808 -12.041 16.008 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.117 -12.144 17.169 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.197 -12.880 17.649 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.564 -13.973 17.578 1.00 0.00 H new ATOM 0 HE ARG A 51 7.443 -12.477 19.634 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.049 -13.490 18.935 1.00 0.00 H new ATOM 0 HH12 ARG A 51 3.553 -13.420 20.629 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.748 -12.364 21.852 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.088 -12.779 22.289 1.00 0.00 H new ATOM 841 N SER A 52 3.758 -9.687 18.243 1.00 0.00 N ATOM 842 CA SER A 52 2.446 -10.016 18.697 1.00 0.00 C ATOM 843 C SER A 52 1.415 -9.470 17.762 1.00 0.00 C ATOM 844 O SER A 52 0.412 -10.143 17.547 1.00 0.00 O ATOM 845 CB SER A 52 2.174 -9.529 20.121 1.00 0.00 C ATOM 846 OG SER A 52 3.042 -10.186 21.030 1.00 0.00 O ATOM 0 H SER A 52 4.224 -8.992 18.826 1.00 0.00 H new ATOM 0 HA SER A 52 2.384 -11.104 18.712 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.320 -8.450 20.180 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.136 -9.725 20.390 1.00 0.00 H new ATOM 0 HG SER A 52 2.864 -9.868 21.940 1.00 0.00 H new ATOM 852 N ILE A 53 1.646 -8.259 17.193 1.00 0.00 N ATOM 853 CA ILE A 53 0.807 -7.643 16.182 1.00 0.00 C ATOM 854 C ILE A 53 0.687 -8.515 14.964 1.00 0.00 C ATOM 855 O ILE A 53 -0.428 -8.819 14.535 1.00 0.00 O ATOM 856 CB ILE A 53 1.316 -6.255 15.798 1.00 0.00 C ATOM 857 CG1 ILE A 53 1.098 -5.262 16.956 1.00 0.00 C ATOM 858 CG2 ILE A 53 0.694 -5.704 14.501 1.00 0.00 C ATOM 859 CD1 ILE A 53 -0.374 -4.935 17.190 1.00 0.00 C ATOM 0 H ILE A 53 2.449 -7.683 17.446 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.185 -7.528 16.618 1.00 0.00 H new ATOM 0 HB ILE A 53 2.382 -6.368 15.603 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.522 -5.679 17.870 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.640 -4.340 16.744 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.103 -4.715 14.293 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.925 -6.374 13.673 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.387 -5.632 14.618 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.463 -4.231 18.018 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.796 -4.490 16.289 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.916 -5.849 17.431 1.00 0.00 H new ATOM 871 N LYS A 54 1.838 -8.935 14.400 1.00 0.00 N ATOM 872 CA LYS A 54 1.911 -9.837 13.263 1.00 0.00 C ATOM 873 C LYS A 54 1.227 -11.150 13.510 1.00 0.00 C ATOM 874 O LYS A 54 0.574 -11.685 12.615 1.00 0.00 O ATOM 875 CB LYS A 54 3.326 -10.270 12.851 1.00 0.00 C ATOM 876 CG LYS A 54 4.115 -9.244 12.033 1.00 0.00 C ATOM 877 CD LYS A 54 5.394 -9.878 11.466 1.00 0.00 C ATOM 878 CE LYS A 54 6.344 -8.900 10.774 1.00 0.00 C ATOM 879 NZ LYS A 54 5.766 -8.446 9.496 1.00 0.00 N ATOM 0 H LYS A 54 2.754 -8.643 14.739 1.00 0.00 H new ATOM 0 HA LYS A 54 1.439 -9.228 12.492 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.893 -10.504 13.752 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.252 -11.191 12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 54 3.497 -8.867 11.218 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.372 -8.390 12.660 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.930 -10.369 12.278 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.113 -10.654 10.754 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.531 -8.043 11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.306 -9.381 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 6.439 -8.632 8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.880 -8.959 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.571 -7.426 9.546 1.00 0.00 H new ATOM 893 N ALA A 55 1.365 -11.697 14.741 1.00 0.00 N ATOM 894 CA ALA A 55 0.853 -12.991 15.098 1.00 0.00 C ATOM 895 C ALA A 55 -0.600 -12.961 15.486 1.00 0.00 C ATOM 896 O ALA A 55 -1.121 -13.978 15.944 1.00 0.00 O ATOM 897 CB ALA A 55 1.627 -13.626 16.261 1.00 0.00 C ATOM 0 H ALA A 55 1.846 -11.225 15.507 1.00 0.00 H new ATOM 0 HA ALA A 55 0.977 -13.588 14.194 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.201 -14.602 16.492 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.674 -13.744 15.980 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.557 -12.983 17.138 1.00 0.00 H new ATOM 903 N ILE A 56 -1.303 -11.816 15.278 1.00 0.00 N ATOM 904 CA ILE A 56 -2.736 -11.778 15.387 1.00 0.00 C ATOM 905 C ILE A 56 -3.281 -12.362 14.116 1.00 0.00 C ATOM 906 O ILE A 56 -4.363 -12.947 14.113 1.00 0.00 O ATOM 907 CB ILE A 56 -3.323 -10.385 15.596 1.00 0.00 C ATOM 908 CG1 ILE A 56 -2.750 -9.698 16.852 1.00 0.00 C ATOM 909 CG2 ILE A 56 -4.861 -10.443 15.702 1.00 0.00 C ATOM 910 CD1 ILE A 56 -2.730 -10.581 18.099 1.00 0.00 C ATOM 0 H ILE A 56 -0.876 -10.922 15.035 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.018 -12.341 16.277 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.042 -9.795 14.724 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.733 -9.368 16.639 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.338 -8.805 17.063 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -5.254 -9.437 15.851 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.273 -10.862 14.784 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.144 -11.071 16.546 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.312 -10.020 18.935 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.746 -10.891 18.342 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.117 -11.462 17.911 1.00 0.00 H new ATOM 922 N CYS A 57 -2.520 -12.237 13.002 1.00 0.00 N ATOM 923 CA CYS A 57 -2.946 -12.743 11.726 1.00 0.00 C ATOM 924 C CYS A 57 -2.751 -14.228 11.646 1.00 0.00 C ATOM 925 O CYS A 57 -3.394 -14.904 10.845 1.00 0.00 O ATOM 926 CB CYS A 57 -2.218 -12.104 10.537 1.00 0.00 C ATOM 927 SG CYS A 57 -3.057 -12.437 8.954 1.00 0.00 S ATOM 0 H CYS A 57 -1.607 -11.783 12.988 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.002 -12.483 11.657 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -2.151 -11.027 10.691 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.197 -12.484 10.492 1.00 0.00 H new ATOM 932 N GLU A 58 -1.862 -14.772 12.502 1.00 0.00 N ATOM 933 CA GLU A 58 -1.704 -16.188 12.649 1.00 0.00 C ATOM 934 C GLU A 58 -2.792 -16.694 13.545 1.00 0.00 C ATOM 935 O GLU A 58 -3.516 -15.931 14.183 1.00 0.00 O ATOM 936 CB GLU A 58 -0.354 -16.571 13.293 1.00 0.00 C ATOM 937 CG GLU A 58 0.866 -16.058 12.516 1.00 0.00 C ATOM 938 CD GLU A 58 0.846 -16.640 11.109 1.00 0.00 C ATOM 939 OE1 GLU A 58 0.901 -17.891 10.981 1.00 0.00 O ATOM 940 OE2 GLU A 58 0.774 -15.835 10.142 1.00 0.00 O ATOM 0 H GLU A 58 -1.245 -14.221 13.099 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.745 -16.628 11.652 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.320 -16.175 14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.294 -17.656 13.372 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.852 -14.969 12.472 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.785 -16.345 13.028 1.00 0.00 H new ATOM 947 N ASN A 59 -2.900 -18.037 13.630 1.00 0.00 N ATOM 948 CA ASN A 59 -3.903 -18.712 14.409 1.00 0.00 C ATOM 949 C ASN A 59 -3.429 -18.919 15.820 1.00 0.00 C ATOM 950 O ASN A 59 -4.101 -19.590 16.603 1.00 0.00 O ATOM 951 CB ASN A 59 -4.237 -20.110 13.855 1.00 0.00 C ATOM 952 CG ASN A 59 -4.846 -19.979 12.458 1.00 0.00 C ATOM 953 OD1 ASN A 59 -6.059 -19.779 12.316 1.00 0.00 O ATOM 954 ND2 ASN A 59 -3.977 -20.120 11.412 1.00 0.00 N ATOM 0 H ASN A 59 -2.270 -18.674 13.142 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.785 -18.073 14.367 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.335 -20.720 13.813 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.935 -20.618 14.520 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.320 -20.062 10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.986 -20.283 11.591 1.00 0.00 H new ATOM 961 N LYS A 60 -2.250 -18.358 16.163 1.00 0.00 N ATOM 962 CA LYS A 60 -1.635 -18.518 17.443 1.00 0.00 C ATOM 963 C LYS A 60 -2.339 -17.692 18.456 1.00 0.00 C ATOM 964 O LYS A 60 -2.900 -18.218 19.418 1.00 0.00 O ATOM 965 CB LYS A 60 -0.147 -18.120 17.442 1.00 0.00 C ATOM 966 CG LYS A 60 0.694 -18.993 16.503 1.00 0.00 C ATOM 967 CD LYS A 60 2.176 -18.598 16.497 1.00 0.00 C ATOM 968 CE LYS A 60 3.013 -19.413 15.505 1.00 0.00 C ATOM 969 NZ LYS A 60 2.990 -20.850 15.861 1.00 0.00 N ATOM 0 H LYS A 60 -1.710 -17.774 15.525 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.705 -19.578 17.688 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.054 -17.076 17.143 1.00 0.00 H new ATOM 0 HB3 LYS A 60 0.247 -18.198 18.455 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.602 -20.037 16.804 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.298 -18.917 15.490 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.262 -17.539 16.252 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.584 -18.727 17.499 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.625 -19.277 14.496 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.041 -19.050 15.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.679 -21.364 15.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.236 -20.963 16.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.038 -21.234 15.693 1.00 0.00 H new ATOM 983 N ASN A 61 -2.297 -16.368 18.254 1.00 0.00 N ATOM 984 CA ASN A 61 -2.876 -15.450 19.185 1.00 0.00 C ATOM 985 C ASN A 61 -4.293 -15.243 18.801 1.00 0.00 C ATOM 986 O ASN A 61 -5.194 -15.321 19.633 1.00 0.00 O ATOM 987 CB ASN A 61 -2.241 -14.049 19.180 1.00 0.00 C ATOM 988 CG ASN A 61 -0.759 -14.099 19.548 1.00 0.00 C ATOM 989 OD1 ASN A 61 -0.229 -15.080 20.079 1.00 0.00 O ATOM 990 ND2 ASN A 61 -0.079 -12.953 19.235 1.00 0.00 N ATOM 0 H ASN A 61 -1.861 -15.928 17.443 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.727 -15.891 20.171 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.356 -13.601 18.193 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -2.770 -13.407 19.885 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.917 -12.879 19.440 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.569 -12.173 18.797 1.00 0.00 H new ATOM 997 N GLY A 62 -4.495 -14.932 17.512 1.00 0.00 N ATOM 998 CA GLY A 62 -5.734 -14.364 17.075 1.00 0.00 C ATOM 999 C GLY A 62 -6.616 -15.418 16.505 1.00 0.00 C ATOM 1000 O GLY A 62 -6.150 -16.408 15.943 1.00 0.00 O ATOM 0 H GLY A 62 -3.806 -15.072 16.773 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.233 -13.877 17.913 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.545 -13.595 16.326 1.00 0.00 H new ATOM 1004 N ASN A 63 -7.937 -15.197 16.663 1.00 0.00 N ATOM 1005 CA ASN A 63 -8.958 -16.100 16.221 1.00 0.00 C ATOM 1006 C ASN A 63 -9.511 -15.496 14.964 1.00 0.00 C ATOM 1007 O ASN A 63 -9.411 -14.277 14.829 1.00 0.00 O ATOM 1008 CB ASN A 63 -10.105 -16.193 17.243 1.00 0.00 C ATOM 1009 CG ASN A 63 -9.507 -16.560 18.602 1.00 0.00 C ATOM 1010 OD1 ASN A 63 -8.933 -17.642 18.776 1.00 0.00 O ATOM 1011 ND2 ASN A 63 -9.650 -15.613 19.580 1.00 0.00 N ATOM 0 H ASN A 63 -8.306 -14.360 17.114 1.00 0.00 H new ATOM 0 HA ASN A 63 -8.546 -17.099 16.083 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -10.636 -15.243 17.306 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -10.831 -16.944 16.932 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.273 -15.782 20.512 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.134 -14.739 19.376 1.00 0.00 H new ATOM 1018 N PRO A 64 -10.088 -16.252 14.036 1.00 0.00 N ATOM 1019 CA PRO A 64 -10.719 -15.710 12.861 1.00 0.00 C ATOM 1020 C PRO A 64 -12.002 -15.081 13.309 1.00 0.00 C ATOM 1021 O PRO A 64 -12.671 -15.617 14.194 1.00 0.00 O ATOM 1022 CB PRO A 64 -10.957 -16.914 11.948 1.00 0.00 C ATOM 1023 CG PRO A 64 -10.977 -18.124 12.886 1.00 0.00 C ATOM 1024 CD PRO A 64 -10.040 -17.705 14.020 1.00 0.00 C ATOM 0 HA PRO A 64 -10.136 -14.955 12.334 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -11.898 -16.819 11.406 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -10.168 -17.006 11.202 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.982 -18.333 13.251 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -10.625 -19.026 12.386 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.366 -18.120 14.974 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.026 -18.064 13.846 1.00 0.00 H new ATOM 1032 N HIS A 65 -12.340 -13.925 12.699 1.00 0.00 N ATOM 1033 CA HIS A 65 -13.413 -13.106 13.174 1.00 0.00 C ATOM 1034 C HIS A 65 -14.200 -12.708 11.983 1.00 0.00 C ATOM 1035 O HIS A 65 -14.750 -11.610 11.900 1.00 0.00 O ATOM 1036 CB HIS A 65 -12.843 -11.864 13.888 1.00 0.00 C ATOM 1037 CG HIS A 65 -13.819 -10.967 14.581 1.00 0.00 C ATOM 1038 ND1 HIS A 65 -14.390 -11.285 15.782 1.00 0.00 N ATOM 1039 CD2 HIS A 65 -14.195 -9.702 14.279 1.00 0.00 C ATOM 1040 CE1 HIS A 65 -15.089 -10.239 16.199 1.00 0.00 C ATOM 1041 NE2 HIS A 65 -14.990 -9.266 15.303 1.00 0.00 N ATOM 0 H HIS A 65 -11.866 -13.559 11.873 1.00 0.00 H new ATOM 0 HA HIS A 65 -14.039 -13.640 13.889 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -12.113 -12.202 14.624 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.301 -11.270 13.152 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.919 -9.143 13.397 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.649 -10.187 17.121 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -15.432 -8.349 15.367 1.00 0.00 H new ATOM 1050 N ARG A 66 -14.246 -13.668 11.040 1.00 0.00 N ATOM 1051 CA ARG A 66 -14.856 -13.629 9.725 1.00 0.00 C ATOM 1052 C ARG A 66 -14.262 -12.596 8.803 1.00 0.00 C ATOM 1053 O ARG A 66 -13.698 -11.600 9.232 1.00 0.00 O ATOM 1054 CB ARG A 66 -16.388 -13.430 9.720 1.00 0.00 C ATOM 1055 CG ARG A 66 -17.170 -14.446 10.569 1.00 0.00 C ATOM 1056 CD ARG A 66 -17.018 -15.895 10.095 1.00 0.00 C ATOM 1057 NE ARG A 66 -17.867 -16.750 10.971 1.00 0.00 N ATOM 1058 CZ ARG A 66 -17.911 -18.103 10.791 1.00 0.00 C ATOM 1059 NH1 ARG A 66 -17.177 -18.690 9.802 1.00 0.00 N ATOM 1060 NH2 ARG A 66 -18.692 -18.871 11.605 1.00 0.00 N ATOM 0 H ARG A 66 -13.810 -14.574 11.211 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.632 -14.629 9.355 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -16.612 -12.426 10.081 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.745 -13.485 8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.835 -14.375 11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.227 -14.179 10.557 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.325 -15.991 9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.975 -16.208 10.150 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.421 -16.321 11.712 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.592 -18.118 9.193 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.213 -19.701 9.672 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.241 -18.434 12.345 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.727 -19.882 11.473 1.00 0.00 H new ATOM 1074 N GLU A 67 -14.425 -12.836 7.483 1.00 0.00 N ATOM 1075 CA GLU A 67 -14.049 -12.014 6.348 1.00 0.00 C ATOM 1076 C GLU A 67 -12.694 -11.371 6.426 1.00 0.00 C ATOM 1077 O GLU A 67 -12.576 -10.155 6.284 1.00 0.00 O ATOM 1078 CB GLU A 67 -15.086 -10.917 6.049 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.473 -11.514 5.803 1.00 0.00 C ATOM 1080 CD GLU A 67 -17.423 -10.389 5.426 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.624 -9.474 6.269 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -17.963 -10.429 4.288 1.00 0.00 O ATOM 0 H GLU A 67 -14.869 -13.700 7.173 1.00 0.00 H new ATOM 0 HA GLU A 67 -14.010 -12.742 5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -15.131 -10.219 6.885 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.773 -10.347 5.174 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.430 -12.256 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.829 -12.026 6.697 1.00 0.00 H new ATOM 1089 N ASN A 68 -11.651 -12.210 6.647 1.00 0.00 N ATOM 1090 CA ASN A 68 -10.247 -11.882 6.840 1.00 0.00 C ATOM 1091 C ASN A 68 -9.979 -10.851 7.914 1.00 0.00 C ATOM 1092 O ASN A 68 -9.040 -10.063 7.818 1.00 0.00 O ATOM 1093 CB ASN A 68 -9.421 -11.606 5.545 1.00 0.00 C ATOM 1094 CG ASN A 68 -9.936 -10.442 4.685 1.00 0.00 C ATOM 1095 OD1 ASN A 68 -10.728 -10.655 3.758 1.00 0.00 O ATOM 1096 ND2 ASN A 68 -9.457 -9.198 4.986 1.00 0.00 N ATOM 0 H ASN A 68 -11.802 -13.218 6.696 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.860 -12.828 7.218 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.388 -11.401 5.827 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -9.412 -12.511 4.938 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.751 -8.391 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.805 -9.076 5.761 1.00 0.00 H new ATOM 1103 N LEU A 69 -10.793 -10.867 8.990 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.635 -9.988 10.110 1.00 0.00 C ATOM 1105 C LEU A 69 -10.134 -10.913 11.148 1.00 0.00 C ATOM 1106 O LEU A 69 -10.427 -12.107 11.100 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.954 -9.378 10.621 1.00 0.00 C ATOM 1108 CG LEU A 69 -12.718 -8.559 9.556 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -14.222 -8.471 9.874 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -12.083 -7.177 9.342 1.00 0.00 C ATOM 0 H LEU A 69 -11.581 -11.508 9.082 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.002 -9.138 9.856 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.599 -10.180 10.980 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.739 -8.735 11.475 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.632 -9.093 8.610 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -14.724 -7.887 9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.647 -9.474 9.904 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -14.362 -7.989 10.842 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.647 -6.630 8.586 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.098 -6.621 10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.052 -7.298 9.008 1.00 0.00 H new ATOM 1122 N ARG A 70 -9.347 -10.392 12.102 1.00 0.00 N ATOM 1123 CA ARG A 70 -8.736 -11.234 13.082 1.00 0.00 C ATOM 1124 C ARG A 70 -8.809 -10.492 14.360 1.00 0.00 C ATOM 1125 O ARG A 70 -8.226 -9.419 14.494 1.00 0.00 O ATOM 1126 CB ARG A 70 -7.248 -11.492 12.808 1.00 0.00 C ATOM 1127 CG ARG A 70 -6.975 -12.542 11.725 1.00 0.00 C ATOM 1128 CD ARG A 70 -7.155 -13.967 12.239 1.00 0.00 C ATOM 1129 NE ARG A 70 -6.724 -14.904 11.168 1.00 0.00 N ATOM 1130 CZ ARG A 70 -6.501 -16.220 11.452 1.00 0.00 C ATOM 1131 NH1 ARG A 70 -6.703 -16.696 12.714 1.00 0.00 N ATOM 1132 NH2 ARG A 70 -6.060 -17.061 10.471 1.00 0.00 N ATOM 0 H ARG A 70 -9.134 -9.399 12.196 1.00 0.00 H new ATOM 0 HA ARG A 70 -9.249 -12.195 13.082 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.778 -10.554 12.514 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.771 -11.811 13.735 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.647 -12.375 10.883 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.958 -12.419 11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.564 -14.123 13.141 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.197 -14.147 12.505 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.594 -14.561 10.216 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.022 -16.067 13.451 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.535 -17.681 12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.898 -16.705 9.529 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.892 -18.045 10.680 1.00 0.00 H new ATOM 1146 N ILE A 71 -9.522 -11.082 15.337 1.00 0.00 N ATOM 1147 CA ILE A 71 -9.618 -10.524 16.648 1.00 0.00 C ATOM 1148 C ILE A 71 -8.399 -11.060 17.332 1.00 0.00 C ATOM 1149 O ILE A 71 -7.978 -12.177 17.044 1.00 0.00 O ATOM 1150 CB ILE A 71 -10.924 -10.970 17.329 1.00 0.00 C ATOM 1151 CG1 ILE A 71 -11.711 -9.839 18.030 1.00 0.00 C ATOM 1152 CG2 ILE A 71 -10.780 -12.199 18.256 1.00 0.00 C ATOM 1153 CD1 ILE A 71 -10.894 -8.930 18.945 1.00 0.00 C ATOM 0 H ILE A 71 -10.036 -11.954 15.215 1.00 0.00 H new ATOM 0 HA ILE A 71 -9.652 -9.435 16.668 1.00 0.00 H new ATOM 0 HB ILE A 71 -11.527 -11.286 16.478 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.184 -9.223 17.265 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -12.512 -10.289 18.617 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -11.749 -12.441 18.692 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -10.419 -13.050 17.679 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.070 -11.973 19.052 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.546 -8.174 19.383 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.443 -9.524 19.739 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -10.110 -8.442 18.367 1.00 0.00 H new ATOM 1165 N SER A 72 -7.796 -10.276 18.247 1.00 0.00 N ATOM 1166 CA SER A 72 -6.663 -10.753 18.992 1.00 0.00 C ATOM 1167 C SER A 72 -7.140 -11.354 20.272 1.00 0.00 C ATOM 1168 O SER A 72 -8.300 -11.198 20.651 1.00 0.00 O ATOM 1169 CB SER A 72 -5.665 -9.654 19.373 1.00 0.00 C ATOM 1170 OG SER A 72 -6.210 -8.774 20.331 1.00 0.00 O ATOM 0 H SER A 72 -8.086 -9.324 18.471 1.00 0.00 H new ATOM 0 HA SER A 72 -6.158 -11.467 18.342 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.756 -10.107 19.768 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.381 -9.094 18.482 1.00 0.00 H new ATOM 0 HG SER A 72 -5.485 -8.297 20.787 1.00 0.00 H new ATOM 1176 N LYS A 73 -6.224 -12.050 20.975 1.00 0.00 N ATOM 1177 CA LYS A 73 -6.529 -12.616 22.255 1.00 0.00 C ATOM 1178 C LYS A 73 -5.414 -12.213 23.166 1.00 0.00 C ATOM 1179 O LYS A 73 -5.471 -12.451 24.372 1.00 0.00 O ATOM 1180 CB LYS A 73 -6.653 -14.150 22.202 1.00 0.00 C ATOM 1181 CG LYS A 73 -7.441 -14.776 23.360 1.00 0.00 C ATOM 1182 CD LYS A 73 -7.661 -16.282 23.159 1.00 0.00 C ATOM 1183 CE LYS A 73 -8.470 -16.924 24.288 1.00 0.00 C ATOM 1184 NZ LYS A 73 -8.651 -18.368 24.029 1.00 0.00 N ATOM 0 H LYS A 73 -5.270 -12.221 20.655 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.495 -12.251 22.605 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.132 -14.429 21.263 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.652 -14.580 22.189 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.905 -14.610 24.295 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.406 -14.278 23.453 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.176 -16.445 22.212 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.693 -16.778 23.085 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.959 -16.779 25.240 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.442 -16.437 24.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.202 -18.793 24.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.158 -18.499 23.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.721 -18.830 23.972 1.00 0.00 H new ATOM 1198 N SER A 74 -4.368 -11.568 22.599 1.00 0.00 N ATOM 1199 CA SER A 74 -3.260 -11.073 23.345 1.00 0.00 C ATOM 1200 C SER A 74 -3.440 -9.590 23.379 1.00 0.00 C ATOM 1201 O SER A 74 -2.803 -8.863 22.621 1.00 0.00 O ATOM 1202 CB SER A 74 -1.922 -11.428 22.679 1.00 0.00 C ATOM 1203 OG SER A 74 -1.985 -11.223 21.276 1.00 0.00 O ATOM 0 H SER A 74 -4.299 -11.391 21.597 1.00 0.00 H new ATOM 0 HA SER A 74 -3.231 -11.514 24.341 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.126 -10.817 23.105 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.672 -12.468 22.888 1.00 0.00 H new ATOM 0 HG SER A 74 -2.268 -10.303 21.092 1.00 0.00 H new ATOM 1209 N SER A 75 -4.347 -9.155 24.282 1.00 0.00 N ATOM 1210 CA SER A 75 -4.782 -7.802 24.533 1.00 0.00 C ATOM 1211 C SER A 75 -3.649 -6.828 24.642 1.00 0.00 C ATOM 1212 O SER A 75 -2.696 -7.043 25.389 1.00 0.00 O ATOM 1213 CB SER A 75 -5.592 -7.722 25.837 1.00 0.00 C ATOM 1214 OG SER A 75 -6.037 -6.396 26.071 1.00 0.00 O ATOM 0 H SER A 75 -4.823 -9.815 24.897 1.00 0.00 H new ATOM 0 HA SER A 75 -5.393 -7.531 23.672 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.449 -8.394 25.780 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.978 -8.058 26.673 1.00 0.00 H new ATOM 0 HG SER A 75 -5.656 -6.066 26.911 1.00 0.00 H new ATOM 1220 N PHE A 76 -3.742 -5.734 23.853 1.00 0.00 N ATOM 1221 CA PHE A 76 -2.659 -4.811 23.677 1.00 0.00 C ATOM 1222 C PHE A 76 -3.054 -3.580 24.396 1.00 0.00 C ATOM 1223 O PHE A 76 -4.236 -3.335 24.615 1.00 0.00 O ATOM 1224 CB PHE A 76 -2.419 -4.385 22.211 1.00 0.00 C ATOM 1225 CG PHE A 76 -1.987 -5.527 21.347 1.00 0.00 C ATOM 1226 CD1 PHE A 76 -2.947 -6.364 20.824 1.00 0.00 C ATOM 1227 CD2 PHE A 76 -0.658 -5.725 20.988 1.00 0.00 C ATOM 1228 CE1 PHE A 76 -2.596 -7.406 20.007 1.00 0.00 C ATOM 1229 CE2 PHE A 76 -0.297 -6.778 20.162 1.00 0.00 C ATOM 1230 CZ PHE A 76 -1.275 -7.634 19.696 1.00 0.00 C ATOM 0 H PHE A 76 -4.583 -5.489 23.330 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.751 -5.297 24.033 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.335 -3.954 21.807 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.659 -3.604 22.183 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.988 -6.197 21.060 1.00 0.00 H new ATOM 0 HD2 PHE A 76 0.101 -5.051 21.357 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.361 -8.053 19.604 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.737 -6.927 19.886 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.003 -8.483 19.087 1.00 0.00 H new ATOM 1240 N GLN A 77 -2.043 -2.768 24.765 1.00 0.00 N ATOM 1241 CA GLN A 77 -2.242 -1.484 25.356 1.00 0.00 C ATOM 1242 C GLN A 77 -2.641 -0.609 24.230 1.00 0.00 C ATOM 1243 O GLN A 77 -2.134 -0.734 23.122 1.00 0.00 O ATOM 1244 CB GLN A 77 -0.959 -1.027 26.101 1.00 0.00 C ATOM 1245 CG GLN A 77 -1.051 -0.707 27.604 1.00 0.00 C ATOM 1246 CD GLN A 77 -2.098 0.373 27.878 1.00 0.00 C ATOM 1247 OE1 GLN A 77 -2.073 1.469 27.308 1.00 0.00 O ATOM 1248 NE2 GLN A 77 -3.036 0.033 28.812 1.00 0.00 N ATOM 0 H GLN A 77 -1.060 -3.015 24.647 1.00 0.00 H new ATOM 0 HA GLN A 77 -3.014 -1.468 26.126 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.208 -1.807 25.975 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.583 -0.137 25.596 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -1.306 -1.612 28.156 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -0.079 -0.375 27.968 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.008 -0.887 29.251 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.764 0.700 29.070 1.00 0.00 H new ATOM 1257 N VAL A 78 -3.619 0.276 24.487 1.00 0.00 N ATOM 1258 CA VAL A 78 -4.242 1.032 23.442 1.00 0.00 C ATOM 1259 C VAL A 78 -4.393 2.411 23.995 1.00 0.00 C ATOM 1260 O VAL A 78 -4.705 2.587 25.170 1.00 0.00 O ATOM 1261 CB VAL A 78 -5.575 0.388 23.075 1.00 0.00 C ATOM 1262 CG1 VAL A 78 -6.719 1.383 22.788 1.00 0.00 C ATOM 1263 CG2 VAL A 78 -5.289 -0.529 21.873 1.00 0.00 C ATOM 0 H VAL A 78 -3.981 0.470 25.421 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.662 1.061 22.520 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.951 -0.169 23.933 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.625 0.832 22.536 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.900 1.995 23.672 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.441 2.026 21.953 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.211 -1.021 21.563 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.899 0.065 21.047 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.554 -1.282 22.157 1.00 0.00 H new ATOM 1273 N THR A 79 -4.169 3.438 23.150 1.00 0.00 N ATOM 1274 CA THR A 79 -4.597 4.766 23.480 1.00 0.00 C ATOM 1275 C THR A 79 -5.276 5.232 22.246 1.00 0.00 C ATOM 1276 O THR A 79 -4.636 5.461 21.220 1.00 0.00 O ATOM 1277 CB THR A 79 -3.510 5.734 23.893 1.00 0.00 C ATOM 1278 OG1 THR A 79 -2.915 5.301 25.107 1.00 0.00 O ATOM 1279 CG2 THR A 79 -4.097 7.136 24.139 1.00 0.00 C ATOM 0 H THR A 79 -3.698 3.351 22.250 1.00 0.00 H new ATOM 0 HA THR A 79 -5.227 4.735 24.369 1.00 0.00 H new ATOM 0 HB THR A 79 -2.774 5.771 23.090 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.236 4.621 24.914 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.300 7.818 24.435 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.565 7.500 23.224 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.843 7.084 24.932 1.00 0.00 H new ATOM 1287 N THR A 80 -6.615 5.373 22.343 1.00 0.00 N ATOM 1288 CA THR A 80 -7.414 5.854 21.260 1.00 0.00 C ATOM 1289 C THR A 80 -7.440 7.338 21.400 1.00 0.00 C ATOM 1290 O THR A 80 -8.176 7.880 22.222 1.00 0.00 O ATOM 1291 CB THR A 80 -8.815 5.298 21.290 1.00 0.00 C ATOM 1292 OG1 THR A 80 -8.749 3.880 21.339 1.00 0.00 O ATOM 1293 CG2 THR A 80 -9.589 5.719 20.031 1.00 0.00 C ATOM 0 H THR A 80 -7.146 5.150 23.185 1.00 0.00 H new ATOM 0 HA THR A 80 -6.990 5.537 20.307 1.00 0.00 H new ATOM 0 HB THR A 80 -9.330 5.686 22.169 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.657 3.511 21.361 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.598 5.309 20.070 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.641 6.807 19.983 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.077 5.341 19.146 1.00 0.00 H new ATOM 1301 N CYS A 81 -6.617 8.024 20.586 1.00 0.00 N ATOM 1302 CA CYS A 81 -6.531 9.451 20.620 1.00 0.00 C ATOM 1303 C CYS A 81 -7.622 9.942 19.739 1.00 0.00 C ATOM 1304 O CYS A 81 -7.615 9.699 18.534 1.00 0.00 O ATOM 1305 CB CYS A 81 -5.206 9.978 20.056 1.00 0.00 C ATOM 1306 SG CYS A 81 -3.770 9.479 21.051 1.00 0.00 S ATOM 0 H CYS A 81 -6.006 7.585 19.898 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.604 9.791 21.653 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.080 9.614 19.036 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -5.246 11.066 20.004 1.00 0.00 H new ATOM 1311 N LYS A 82 -8.602 10.627 20.355 1.00 0.00 N ATOM 1312 CA LYS A 82 -9.826 10.950 19.691 1.00 0.00 C ATOM 1313 C LYS A 82 -9.925 12.438 19.740 1.00 0.00 C ATOM 1314 O LYS A 82 -9.777 13.041 20.801 1.00 0.00 O ATOM 1315 CB LYS A 82 -11.039 10.274 20.372 1.00 0.00 C ATOM 1316 CG LYS A 82 -12.383 10.463 19.651 1.00 0.00 C ATOM 1317 CD LYS A 82 -13.288 11.523 20.295 1.00 0.00 C ATOM 1318 CE LYS A 82 -14.605 11.722 19.543 1.00 0.00 C ATOM 1319 NZ LYS A 82 -15.402 12.783 20.196 1.00 0.00 N ATOM 0 H LYS A 82 -8.546 10.959 21.318 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.832 10.584 18.664 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.838 9.206 20.459 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.131 10.664 21.386 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.193 10.742 18.615 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.912 9.510 19.632 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.504 11.232 21.323 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -12.753 12.472 20.337 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.405 11.992 18.506 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.169 10.789 19.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.296 12.913 19.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.606 12.509 21.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.866 13.674 20.189 1.00 0.00 H new ATOM 1333 N LEU A 83 -10.170 13.043 18.561 1.00 0.00 N ATOM 1334 CA LEU A 83 -10.279 14.460 18.371 1.00 0.00 C ATOM 1335 C LEU A 83 -11.576 14.907 18.955 1.00 0.00 C ATOM 1336 O LEU A 83 -12.652 14.534 18.489 1.00 0.00 O ATOM 1337 CB LEU A 83 -10.290 14.788 16.861 1.00 0.00 C ATOM 1338 CG LEU A 83 -10.309 16.274 16.440 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -8.975 16.975 16.741 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -10.649 16.370 14.941 1.00 0.00 C ATOM 0 H LEU A 83 -10.299 12.517 17.696 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.436 14.961 18.848 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.411 14.326 16.413 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.163 14.306 16.421 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.073 16.787 17.024 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.033 18.018 16.429 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.772 16.927 17.811 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.172 16.478 16.197 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.664 17.417 14.638 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.896 15.835 14.362 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -11.628 15.926 14.761 1.00 0.00 H new ATOM 1352 N HIS A 84 -11.470 15.728 20.012 1.00 0.00 N ATOM 1353 CA HIS A 84 -12.598 16.208 20.741 1.00 0.00 C ATOM 1354 C HIS A 84 -12.283 17.641 21.007 1.00 0.00 C ATOM 1355 O HIS A 84 -11.579 17.979 21.956 1.00 0.00 O ATOM 1356 CB HIS A 84 -12.777 15.437 22.062 1.00 0.00 C ATOM 1357 CG HIS A 84 -13.702 16.091 23.041 1.00 0.00 C ATOM 1358 ND1 HIS A 84 -15.031 16.314 22.799 1.00 0.00 N ATOM 1359 CD2 HIS A 84 -13.435 16.561 24.280 1.00 0.00 C ATOM 1360 CE1 HIS A 84 -15.551 16.909 23.864 1.00 0.00 C ATOM 1361 NE2 HIS A 84 -14.603 17.071 24.778 1.00 0.00 N ATOM 0 H HIS A 84 -10.576 16.067 20.369 1.00 0.00 H new ATOM 0 HA HIS A 84 -13.529 16.078 20.189 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -13.152 14.439 21.838 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.801 15.313 22.531 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.479 16.538 24.782 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -16.582 17.213 23.970 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.724 17.502 25.695 1.00 0.00 H new ATOM 1370 N GLY A 85 -12.799 18.532 20.144 1.00 0.00 N ATOM 1371 CA GLY A 85 -12.503 19.923 20.292 1.00 0.00 C ATOM 1372 C GLY A 85 -13.287 20.639 19.260 1.00 0.00 C ATOM 1373 O GLY A 85 -13.849 21.703 19.513 1.00 0.00 O ATOM 0 H GLY A 85 -13.408 18.298 19.360 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.769 20.271 21.290 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -11.436 20.107 20.164 1.00 0.00 H new ATOM 1377 N GLY A 86 -13.317 20.041 18.056 1.00 0.00 N ATOM 1378 CA GLY A 86 -13.984 20.615 16.927 1.00 0.00 C ATOM 1379 C GLY A 86 -13.018 21.519 16.242 1.00 0.00 C ATOM 1380 O GLY A 86 -13.379 22.609 15.801 1.00 0.00 O ATOM 0 H GLY A 86 -12.871 19.144 17.862 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -14.326 19.835 16.247 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.867 21.169 17.245 1.00 0.00 H new ATOM 1384 N SER A 87 -11.760 21.053 16.142 1.00 0.00 N ATOM 1385 CA SER A 87 -10.717 21.731 15.425 1.00 0.00 C ATOM 1386 C SER A 87 -10.288 20.813 14.308 1.00 0.00 C ATOM 1387 O SER A 87 -9.615 19.825 14.594 1.00 0.00 O ATOM 1388 CB SER A 87 -9.509 22.040 16.330 1.00 0.00 C ATOM 1389 OG SER A 87 -9.232 20.949 17.197 1.00 0.00 O ATOM 0 H SER A 87 -11.456 20.179 16.571 1.00 0.00 H new ATOM 0 HA SER A 87 -11.088 22.685 15.050 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.634 22.252 15.715 1.00 0.00 H new ATOM 0 HB3 SER A 87 -9.710 22.935 16.918 1.00 0.00 H new ATOM 0 HG SER A 87 -9.262 20.112 16.689 1.00 0.00 H new ATOM 1395 N PRO A 88 -10.615 21.059 13.038 1.00 0.00 N ATOM 1396 CA PRO A 88 -10.209 20.177 11.976 1.00 0.00 C ATOM 1397 C PRO A 88 -8.808 20.513 11.575 1.00 0.00 C ATOM 1398 O PRO A 88 -8.169 19.671 10.953 1.00 0.00 O ATOM 1399 CB PRO A 88 -11.124 20.505 10.795 1.00 0.00 C ATOM 1400 CG PRO A 88 -12.335 21.192 11.423 1.00 0.00 C ATOM 1401 CD PRO A 88 -11.730 21.899 12.633 1.00 0.00 C ATOM 0 HA PRO A 88 -10.265 19.131 12.277 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.626 21.157 10.078 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -11.415 19.603 10.257 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -12.803 21.896 10.735 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.102 20.474 11.715 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -11.395 22.904 12.377 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.460 22.002 13.436 1.00 0.00 H new ATOM 1409 N TRP A 89 -8.341 21.741 11.869 1.00 0.00 N ATOM 1410 CA TRP A 89 -7.085 22.229 11.390 1.00 0.00 C ATOM 1411 C TRP A 89 -6.149 22.244 12.556 1.00 0.00 C ATOM 1412 O TRP A 89 -6.643 22.196 13.680 1.00 0.00 O ATOM 1413 CB TRP A 89 -7.257 23.647 10.820 1.00 0.00 C ATOM 1414 CG TRP A 89 -8.276 23.641 9.709 1.00 0.00 C ATOM 1415 CD1 TRP A 89 -9.552 24.124 9.708 1.00 0.00 C ATOM 1416 CD2 TRP A 89 -8.093 22.962 8.454 1.00 0.00 C ATOM 1417 NE1 TRP A 89 -10.170 23.805 8.523 1.00 0.00 N ATOM 1418 CE2 TRP A 89 -9.288 23.084 7.747 1.00 0.00 C ATOM 1419 CE3 TRP A 89 -7.026 22.279 7.942 1.00 0.00 C ATOM 1420 CZ2 TRP A 89 -9.432 22.523 6.510 1.00 0.00 C ATOM 1421 CZ3 TRP A 89 -7.176 21.700 6.700 1.00 0.00 C ATOM 1422 CH2 TRP A 89 -8.360 21.821 5.994 1.00 0.00 C ATOM 0 H TRP A 89 -8.847 22.408 12.452 1.00 0.00 H new ATOM 0 HA TRP A 89 -6.695 21.596 10.593 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -7.573 24.328 11.610 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -6.302 24.015 10.445 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -10.008 24.675 10.517 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -11.122 24.059 8.261 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -6.099 22.196 8.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -10.352 22.625 5.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -6.356 21.143 6.271 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -8.448 21.358 5.022 1.00 0.00 H new ATOM 1433 N PRO A 90 -4.831 22.299 12.361 1.00 0.00 N ATOM 1434 CA PRO A 90 -3.887 22.236 13.443 1.00 0.00 C ATOM 1435 C PRO A 90 -3.929 23.569 14.162 1.00 0.00 C ATOM 1436 O PRO A 90 -4.054 24.568 13.454 1.00 0.00 O ATOM 1437 CB PRO A 90 -2.517 22.025 12.782 1.00 0.00 C ATOM 1438 CG PRO A 90 -2.727 22.330 11.297 1.00 0.00 C ATOM 1439 CD PRO A 90 -4.204 22.014 11.082 1.00 0.00 C ATOM 0 HA PRO A 90 -4.097 21.441 14.159 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -1.766 22.686 13.216 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -2.165 21.004 12.927 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -2.500 23.370 11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.087 21.714 10.665 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.629 22.627 10.287 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.348 20.973 10.793 1.00 0.00 H new ATOM 1447 N PRO A 91 -3.818 23.685 15.482 1.00 0.00 N ATOM 1448 CA PRO A 91 -3.548 22.605 16.390 1.00 0.00 C ATOM 1449 C PRO A 91 -4.823 21.903 16.692 1.00 0.00 C ATOM 1450 O PRO A 91 -5.908 22.447 16.492 1.00 0.00 O ATOM 1451 CB PRO A 91 -3.071 23.241 17.684 1.00 0.00 C ATOM 1452 CG PRO A 91 -2.656 24.654 17.293 1.00 0.00 C ATOM 1453 CD PRO A 91 -3.529 24.971 16.078 1.00 0.00 C ATOM 0 HA PRO A 91 -2.821 21.911 15.969 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.862 23.254 18.434 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -2.235 22.687 18.112 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -2.830 25.360 18.105 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -1.595 24.705 17.047 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -4.444 25.485 16.372 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.009 25.623 15.377 1.00 0.00 H new ATOM 1461 N CYS A 92 -4.657 20.678 17.196 1.00 0.00 N ATOM 1462 CA CYS A 92 -5.741 19.776 17.423 1.00 0.00 C ATOM 1463 C CYS A 92 -5.910 19.673 18.897 1.00 0.00 C ATOM 1464 O CYS A 92 -4.982 19.961 19.652 1.00 0.00 O ATOM 1465 CB CYS A 92 -5.432 18.361 16.921 1.00 0.00 C ATOM 1466 SG CYS A 92 -4.831 18.322 15.207 1.00 0.00 S ATOM 0 H CYS A 92 -3.746 20.299 17.455 1.00 0.00 H new ATOM 0 HA CYS A 92 -6.620 20.151 16.899 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -4.684 17.907 17.571 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -6.332 17.751 16.997 1.00 0.00 H new ATOM 1471 N GLN A 93 -7.109 19.239 19.332 1.00 0.00 N ATOM 1472 CA GLN A 93 -7.375 18.982 20.718 1.00 0.00 C ATOM 1473 C GLN A 93 -7.667 17.527 20.822 1.00 0.00 C ATOM 1474 O GLN A 93 -8.815 17.108 20.700 1.00 0.00 O ATOM 1475 CB GLN A 93 -8.600 19.738 21.250 1.00 0.00 C ATOM 1476 CG GLN A 93 -8.368 21.247 21.351 1.00 0.00 C ATOM 1477 CD GLN A 93 -9.667 21.885 21.833 1.00 0.00 C ATOM 1478 OE1 GLN A 93 -10.162 21.587 22.926 1.00 0.00 O ATOM 1479 NE2 GLN A 93 -10.228 22.787 20.970 1.00 0.00 N ATOM 0 H GLN A 93 -7.903 19.064 18.716 1.00 0.00 H new ATOM 0 HA GLN A 93 -6.515 19.308 21.303 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -9.451 19.549 20.595 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.862 19.349 22.234 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.555 21.463 22.045 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.078 21.655 20.383 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -9.773 22.993 20.081 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -11.101 23.253 21.216 1.00 0.00 H new ATOM 1488 N TYR A 94 -6.614 16.723 21.053 1.00 0.00 N ATOM 1489 CA TYR A 94 -6.772 15.305 21.167 1.00 0.00 C ATOM 1490 C TYR A 94 -6.881 14.939 22.595 1.00 0.00 C ATOM 1491 O TYR A 94 -5.936 15.133 23.355 1.00 0.00 O ATOM 1492 CB TYR A 94 -5.568 14.512 20.673 1.00 0.00 C ATOM 1493 CG TYR A 94 -5.545 14.547 19.201 1.00 0.00 C ATOM 1494 CD1 TYR A 94 -6.495 13.833 18.508 1.00 0.00 C ATOM 1495 CD2 TYR A 94 -4.571 15.241 18.517 1.00 0.00 C ATOM 1496 CE1 TYR A 94 -6.504 13.829 17.134 1.00 0.00 C ATOM 1497 CE2 TYR A 94 -4.580 15.247 17.140 1.00 0.00 C ATOM 1498 CZ TYR A 94 -5.543 14.546 16.452 1.00 0.00 C ATOM 1499 OH TYR A 94 -5.477 14.514 15.052 1.00 0.00 O ATOM 0 H TYR A 94 -5.655 17.053 21.161 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.652 15.068 20.569 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.647 14.935 21.075 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.625 13.482 21.025 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.241 13.270 19.049 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.805 15.777 19.058 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.255 13.271 16.594 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.829 15.803 16.599 1.00 0.00 H new ATOM 0 HH TYR A 94 -4.908 13.768 14.768 1.00 0.00 H new ATOM 1509 N ARG A 95 -8.042 14.370 22.973 1.00 0.00 N ATOM 1510 CA ARG A 95 -8.222 13.861 24.303 1.00 0.00 C ATOM 1511 C ARG A 95 -8.088 12.377 24.213 1.00 0.00 C ATOM 1512 O ARG A 95 -8.680 11.741 23.342 1.00 0.00 O ATOM 1513 CB ARG A 95 -9.577 14.208 24.951 1.00 0.00 C ATOM 1514 CG ARG A 95 -9.627 15.633 25.533 1.00 0.00 C ATOM 1515 CD ARG A 95 -9.753 16.751 24.491 1.00 0.00 C ATOM 1516 NE ARG A 95 -9.666 18.071 25.185 1.00 0.00 N ATOM 1517 CZ ARG A 95 -8.490 18.760 25.291 1.00 0.00 C ATOM 1518 NH1 ARG A 95 -7.326 18.248 24.795 1.00 0.00 N ATOM 1519 NH2 ARG A 95 -8.481 19.982 25.902 1.00 0.00 N ATOM 0 H ARG A 95 -8.852 14.262 22.363 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.473 14.329 24.942 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.366 14.099 24.207 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.786 13.491 25.745 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -10.470 15.700 26.220 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.724 15.802 26.119 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.962 16.664 23.747 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -10.701 16.666 23.960 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.511 18.471 25.593 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -7.324 17.337 24.336 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.458 18.776 24.883 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.347 20.372 26.274 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.609 20.504 25.986 1.00 0.00 H new ATOM 1533 N ALA A 96 -7.279 11.806 25.130 1.00 0.00 N ATOM 1534 CA ALA A 96 -6.990 10.400 25.137 1.00 0.00 C ATOM 1535 C ALA A 96 -8.097 9.645 25.787 1.00 0.00 C ATOM 1536 O ALA A 96 -8.531 9.977 26.889 1.00 0.00 O ATOM 1537 CB ALA A 96 -5.731 10.051 25.939 1.00 0.00 C ATOM 0 H ALA A 96 -6.819 12.327 25.877 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.855 10.131 24.089 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.566 8.974 25.907 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.871 10.563 25.507 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.860 10.367 26.974 1.00 0.00 H new ATOM 1543 N THR A 97 -8.545 8.579 25.096 1.00 0.00 N ATOM 1544 CA THR A 97 -9.459 7.616 25.635 1.00 0.00 C ATOM 1545 C THR A 97 -8.674 6.342 25.625 1.00 0.00 C ATOM 1546 O THR A 97 -8.722 5.572 24.666 1.00 0.00 O ATOM 1547 CB THR A 97 -10.718 7.478 24.813 1.00 0.00 C ATOM 1548 OG1 THR A 97 -11.280 8.765 24.609 1.00 0.00 O ATOM 1549 CG2 THR A 97 -11.739 6.591 25.552 1.00 0.00 C ATOM 0 H THR A 97 -8.264 8.381 24.136 1.00 0.00 H new ATOM 0 HA THR A 97 -9.810 7.905 26.626 1.00 0.00 H new ATOM 0 HB THR A 97 -10.474 7.018 23.855 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.886 8.739 23.839 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.643 6.498 24.950 1.00 0.00 H new ATOM 0 HG22 THR A 97 -11.310 5.603 25.717 1.00 0.00 H new ATOM 0 HG23 THR A 97 -11.987 7.044 26.512 1.00 0.00 H new ATOM 1557 N ALA A 98 -7.899 6.114 26.703 1.00 0.00 N ATOM 1558 CA ALA A 98 -6.980 5.017 26.733 1.00 0.00 C ATOM 1559 C ALA A 98 -7.627 3.827 27.354 1.00 0.00 C ATOM 1560 O ALA A 98 -8.475 3.952 28.236 1.00 0.00 O ATOM 1561 CB ALA A 98 -5.703 5.335 27.516 1.00 0.00 C ATOM 0 H ALA A 98 -7.908 6.685 27.548 1.00 0.00 H new ATOM 0 HA ALA A 98 -6.703 4.817 25.698 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.044 4.467 27.505 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.195 6.182 27.055 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.960 5.582 28.546 1.00 0.00 H new ATOM 1567 N GLY A 99 -7.213 2.630 26.891 1.00 0.00 N ATOM 1568 CA GLY A 99 -7.734 1.404 27.411 1.00 0.00 C ATOM 1569 C GLY A 99 -6.686 0.356 27.232 1.00 0.00 C ATOM 1570 O GLY A 99 -5.514 0.653 27.015 1.00 0.00 O ATOM 0 H GLY A 99 -6.516 2.514 26.155 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.990 1.513 28.465 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.649 1.124 26.888 1.00 0.00 H new ATOM 1574 N PHE A 100 -7.109 -0.914 27.337 1.00 0.00 N ATOM 1575 CA PHE A 100 -6.240 -2.039 27.173 1.00 0.00 C ATOM 1576 C PHE A 100 -7.170 -3.031 26.558 1.00 0.00 C ATOM 1577 O PHE A 100 -7.975 -3.645 27.256 1.00 0.00 O ATOM 1578 CB PHE A 100 -5.687 -2.534 28.529 1.00 0.00 C ATOM 1579 CG PHE A 100 -4.715 -3.663 28.393 1.00 0.00 C ATOM 1580 CD1 PHE A 100 -3.430 -3.468 27.912 1.00 0.00 C ATOM 1581 CD2 PHE A 100 -5.069 -4.916 28.857 1.00 0.00 C ATOM 1582 CE1 PHE A 100 -2.528 -4.513 27.884 1.00 0.00 C ATOM 1583 CE2 PHE A 100 -4.168 -5.961 28.828 1.00 0.00 C ATOM 1584 CZ PHE A 100 -2.895 -5.761 28.340 1.00 0.00 C ATOM 0 H PHE A 100 -8.076 -1.167 27.540 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.348 -1.836 26.580 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -5.200 -1.704 29.040 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.518 -2.853 29.158 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -3.132 -2.492 27.557 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -6.063 -5.079 29.247 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -1.530 -4.352 27.503 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -4.461 -6.936 29.188 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.189 -6.578 28.315 1.00 0.00 H new ATOM 1594 N ARG A 101 -7.116 -3.155 25.213 1.00 0.00 N ATOM 1595 CA ARG A 101 -8.176 -3.785 24.482 1.00 0.00 C ATOM 1596 C ARG A 101 -7.567 -4.746 23.523 1.00 0.00 C ATOM 1597 O ARG A 101 -6.502 -4.494 22.960 1.00 0.00 O ATOM 1598 CB ARG A 101 -9.019 -2.785 23.662 1.00 0.00 C ATOM 1599 CG ARG A 101 -10.469 -3.249 23.443 1.00 0.00 C ATOM 1600 CD ARG A 101 -11.243 -2.385 22.440 1.00 0.00 C ATOM 1601 NE ARG A 101 -12.685 -2.774 22.481 1.00 0.00 N ATOM 1602 CZ ARG A 101 -13.177 -3.858 21.810 1.00 0.00 C ATOM 1603 NH1 ARG A 101 -12.375 -4.620 21.014 1.00 0.00 N ATOM 1604 NH2 ARG A 101 -14.501 -4.176 21.931 1.00 0.00 N ATOM 0 H ARG A 101 -6.343 -2.821 24.637 1.00 0.00 H new ATOM 0 HA ARG A 101 -8.832 -4.266 25.207 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -9.026 -1.822 24.172 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -8.544 -2.629 22.693 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -10.463 -4.281 23.092 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -10.993 -3.240 24.399 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -11.130 -1.329 22.685 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -10.843 -2.523 21.435 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.329 -2.207 23.033 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -11.388 -4.385 20.911 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -12.762 -5.425 20.522 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.111 -3.606 22.518 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -14.879 -4.983 21.435 1.00 0.00 H new ATOM 1618 N ASN A 102 -8.272 -5.875 23.321 1.00 0.00 N ATOM 1619 CA ASN A 102 -7.976 -6.822 22.292 1.00 0.00 C ATOM 1620 C ASN A 102 -8.438 -6.217 21.003 1.00 0.00 C ATOM 1621 O ASN A 102 -9.585 -5.797 20.860 1.00 0.00 O ATOM 1622 CB ASN A 102 -8.620 -8.211 22.526 1.00 0.00 C ATOM 1623 CG ASN A 102 -10.056 -8.126 23.062 1.00 0.00 C ATOM 1624 OD1 ASN A 102 -11.022 -8.534 22.184 1.00 0.00 O flip ATOM 1625 ND2 ASN A 102 -10.305 -7.767 24.218 1.00 0.00 N flip ATOM 0 H ASN A 102 -9.075 -6.136 23.894 1.00 0.00 H new ATOM 0 HA ASN A 102 -6.904 -7.017 22.281 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -8.621 -8.767 21.589 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -8.008 -8.775 23.230 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.548 -7.471 24.834 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.267 -7.766 24.556 1.00 0.00 H new ATOM 1632 N VAL A 103 -7.491 -6.133 20.049 1.00 0.00 N ATOM 1633 CA VAL A 103 -7.629 -5.339 18.865 1.00 0.00 C ATOM 1634 C VAL A 103 -8.141 -6.195 17.753 1.00 0.00 C ATOM 1635 O VAL A 103 -7.724 -7.340 17.602 1.00 0.00 O ATOM 1636 CB VAL A 103 -6.319 -4.682 18.450 1.00 0.00 C ATOM 1637 CG1 VAL A 103 -5.904 -3.706 19.569 1.00 0.00 C ATOM 1638 CG2 VAL A 103 -5.203 -5.716 18.190 1.00 0.00 C ATOM 0 H VAL A 103 -6.603 -6.632 20.103 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.335 -4.538 19.084 1.00 0.00 H new ATOM 0 HB VAL A 103 -6.469 -4.151 17.510 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.967 -3.220 19.299 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.680 -2.952 19.700 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -5.772 -4.256 20.501 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -4.289 -5.199 17.897 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -5.020 -6.290 19.098 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.511 -6.390 17.391 1.00 0.00 H new ATOM 1648 N VAL A 104 -9.051 -5.635 16.926 1.00 0.00 N ATOM 1649 CA VAL A 104 -9.374 -6.252 15.670 1.00 0.00 C ATOM 1650 C VAL A 104 -8.441 -5.611 14.709 1.00 0.00 C ATOM 1651 O VAL A 104 -8.550 -4.413 14.456 1.00 0.00 O ATOM 1652 CB VAL A 104 -10.782 -6.004 15.163 1.00 0.00 C ATOM 1653 CG1 VAL A 104 -10.971 -6.606 13.751 1.00 0.00 C ATOM 1654 CG2 VAL A 104 -11.760 -6.665 16.138 1.00 0.00 C ATOM 0 H VAL A 104 -9.555 -4.770 17.122 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.295 -7.333 15.783 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.964 -4.931 15.100 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.988 -6.416 13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.263 -6.146 13.062 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.795 -7.681 13.787 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.782 -6.501 15.796 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.560 -7.736 16.184 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.635 -6.230 17.129 1.00 0.00 H new ATOM 1664 N VAL A 105 -7.524 -6.419 14.142 1.00 0.00 N ATOM 1665 CA VAL A 105 -6.723 -5.958 13.035 1.00 0.00 C ATOM 1666 C VAL A 105 -7.185 -6.753 11.851 1.00 0.00 C ATOM 1667 O VAL A 105 -7.495 -7.936 11.977 1.00 0.00 O ATOM 1668 CB VAL A 105 -5.212 -6.034 13.208 1.00 0.00 C ATOM 1669 CG1 VAL A 105 -4.799 -5.174 14.413 1.00 0.00 C ATOM 1670 CG2 VAL A 105 -4.675 -7.461 13.390 1.00 0.00 C ATOM 0 H VAL A 105 -7.335 -7.376 14.440 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.876 -4.884 12.926 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.774 -5.659 12.283 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.718 -5.224 14.542 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.096 -4.140 14.241 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -5.290 -5.548 15.312 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -3.592 -7.430 13.507 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.123 -7.908 14.278 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.929 -8.060 12.515 1.00 0.00 H new ATOM 1680 N ALA A 106 -7.256 -6.104 10.672 1.00 0.00 N ATOM 1681 CA ALA A 106 -7.664 -6.769 9.464 1.00 0.00 C ATOM 1682 C ALA A 106 -6.421 -7.055 8.703 1.00 0.00 C ATOM 1683 O ALA A 106 -5.744 -6.125 8.272 1.00 0.00 O ATOM 1684 CB ALA A 106 -8.608 -5.922 8.609 1.00 0.00 C ATOM 0 H ALA A 106 -7.031 -5.116 10.552 1.00 0.00 H new ATOM 0 HA ALA A 106 -8.217 -7.673 9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -8.881 -6.476 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.507 -5.690 9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.109 -4.995 8.326 1.00 0.00 H new ATOM 1690 N CYS A 107 -6.088 -8.361 8.555 1.00 0.00 N ATOM 1691 CA CYS A 107 -4.857 -8.761 7.975 1.00 0.00 C ATOM 1692 C CYS A 107 -5.026 -9.467 6.678 1.00 0.00 C ATOM 1693 O CYS A 107 -6.104 -9.944 6.324 1.00 0.00 O ATOM 1694 CB CYS A 107 -4.079 -9.701 8.896 1.00 0.00 C ATOM 1695 SG CYS A 107 -4.766 -11.357 9.078 1.00 0.00 S ATOM 0 H CYS A 107 -6.686 -9.135 8.844 1.00 0.00 H new ATOM 0 HA CYS A 107 -4.312 -7.830 7.815 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -3.060 -9.789 8.519 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.015 -9.243 9.883 1.00 0.00 H new ATOM 1700 N GLU A 108 -3.893 -9.542 5.955 1.00 0.00 N ATOM 1701 CA GLU A 108 -3.764 -10.265 4.734 1.00 0.00 C ATOM 1702 C GLU A 108 -2.308 -10.596 4.695 1.00 0.00 C ATOM 1703 O GLU A 108 -1.475 -9.749 5.007 1.00 0.00 O ATOM 1704 CB GLU A 108 -4.128 -9.414 3.495 1.00 0.00 C ATOM 1705 CG GLU A 108 -4.129 -10.175 2.160 1.00 0.00 C ATOM 1706 CD GLU A 108 -5.135 -11.316 2.238 1.00 0.00 C ATOM 1707 OE1 GLU A 108 -6.343 -11.031 2.456 1.00 0.00 O ATOM 1708 OE2 GLU A 108 -4.707 -12.491 2.081 1.00 0.00 O ATOM 0 H GLU A 108 -3.030 -9.077 6.237 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.432 -11.126 4.703 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.116 -8.980 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.424 -8.585 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.387 -9.501 1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -3.133 -10.565 1.949 1.00 0.00 H new ATOM 1715 N ASN A 109 -1.983 -11.855 4.319 1.00 0.00 N ATOM 1716 CA ASN A 109 -0.659 -12.399 4.094 1.00 0.00 C ATOM 1717 C ASN A 109 0.184 -12.624 5.325 1.00 0.00 C ATOM 1718 O ASN A 109 1.333 -13.044 5.194 1.00 0.00 O ATOM 1719 CB ASN A 109 0.177 -11.763 2.933 1.00 0.00 C ATOM 1720 CG ASN A 109 0.855 -10.411 3.230 1.00 0.00 C ATOM 1721 OD1 ASN A 109 1.834 -10.310 3.980 1.00 0.00 O ATOM 1722 ND2 ASN A 109 0.328 -9.342 2.558 1.00 0.00 N ATOM 0 H ASN A 109 -2.707 -12.555 4.158 1.00 0.00 H new ATOM 0 HA ASN A 109 -0.939 -13.389 3.735 1.00 0.00 H new ATOM 0 HB2 ASN A 109 0.949 -12.474 2.640 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.479 -11.633 2.072 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.744 -8.417 2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -0.480 -9.470 1.949 1.00 0.00 H new ATOM 1729 N GLY A 110 -0.352 -12.370 6.543 1.00 0.00 N ATOM 1730 CA GLY A 110 0.392 -12.560 7.758 1.00 0.00 C ATOM 1731 C GLY A 110 0.741 -11.219 8.316 1.00 0.00 C ATOM 1732 O GLY A 110 1.349 -11.129 9.382 1.00 0.00 O ATOM 0 H GLY A 110 -1.304 -12.032 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.197 -13.128 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 110 1.297 -13.136 7.562 1.00 0.00 H new ATOM 1736 N LEU A 111 0.362 -10.146 7.592 1.00 0.00 N ATOM 1737 CA LEU A 111 0.673 -8.804 7.986 1.00 0.00 C ATOM 1738 C LEU A 111 -0.638 -8.139 8.245 1.00 0.00 C ATOM 1739 O LEU A 111 -1.481 -8.208 7.356 1.00 0.00 O ATOM 1740 CB LEU A 111 1.266 -7.977 6.843 1.00 0.00 C ATOM 1741 CG LEU A 111 2.797 -7.825 6.860 1.00 0.00 C ATOM 1742 CD1 LEU A 111 3.601 -9.100 7.045 1.00 0.00 C ATOM 1743 CD2 LEU A 111 3.330 -7.137 5.600 1.00 0.00 C ATOM 0 H LEU A 111 -0.167 -10.211 6.722 1.00 0.00 H new ATOM 0 HA LEU A 111 1.371 -8.853 8.822 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.974 -8.434 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 111 0.819 -6.983 6.867 1.00 0.00 H new ATOM 0 HG LEU A 111 2.944 -7.214 7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.665 -8.863 7.040 1.00 0.00 H new ATOM 0 HD12 LEU A 111 3.337 -9.562 7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.379 -9.791 6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.415 -7.054 5.662 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.060 -7.725 4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.894 -6.141 5.517 1.00 0.00 H new ATOM 1755 N PRO A 112 -0.888 -7.488 9.363 1.00 0.00 N ATOM 1756 CA PRO A 112 -2.083 -6.717 9.549 1.00 0.00 C ATOM 1757 C PRO A 112 -1.926 -5.479 8.730 1.00 0.00 C ATOM 1758 O PRO A 112 -0.990 -4.719 8.944 1.00 0.00 O ATOM 1759 CB PRO A 112 -2.168 -6.460 11.042 1.00 0.00 C ATOM 1760 CG PRO A 112 -0.750 -6.669 11.566 1.00 0.00 C ATOM 1761 CD PRO A 112 -0.142 -7.669 10.590 1.00 0.00 C ATOM 0 HA PRO A 112 -3.006 -7.200 9.229 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -2.519 -5.449 11.248 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -2.869 -7.144 11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -0.188 -5.735 11.582 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -0.754 -7.057 12.585 1.00 0.00 H new ATOM 0 HD2 PRO A 112 0.920 -7.478 10.439 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -0.233 -8.690 10.961 1.00 0.00 H new ATOM 1769 N VAL A 113 -2.842 -5.288 7.767 1.00 0.00 N ATOM 1770 CA VAL A 113 -2.684 -4.304 6.743 1.00 0.00 C ATOM 1771 C VAL A 113 -3.587 -3.144 7.005 1.00 0.00 C ATOM 1772 O VAL A 113 -3.402 -2.082 6.411 1.00 0.00 O ATOM 1773 CB VAL A 113 -2.993 -4.848 5.364 1.00 0.00 C ATOM 1774 CG1 VAL A 113 -1.733 -5.516 4.802 1.00 0.00 C ATOM 1775 CG2 VAL A 113 -4.121 -5.890 5.422 1.00 0.00 C ATOM 0 H VAL A 113 -3.707 -5.825 7.697 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.639 -3.996 6.764 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.312 -4.023 4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -1.943 -5.912 3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.930 -4.782 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -1.428 -6.330 5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.323 -6.264 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -3.819 -6.718 6.064 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.022 -5.428 5.825 1.00 0.00 H new ATOM 1785 N HIS A 114 -4.607 -3.321 7.873 1.00 0.00 N ATOM 1786 CA HIS A 114 -5.644 -2.335 7.997 1.00 0.00 C ATOM 1787 C HIS A 114 -6.174 -2.475 9.380 1.00 0.00 C ATOM 1788 O HIS A 114 -5.744 -3.357 10.125 1.00 0.00 O ATOM 1789 CB HIS A 114 -6.848 -2.591 7.074 1.00 0.00 C ATOM 1790 CG HIS A 114 -6.549 -2.866 5.652 1.00 0.00 C ATOM 1791 ND1 HIS A 114 -6.640 -4.067 5.065 1.00 0.00 N flip ATOM 1792 CD2 HIS A 114 -6.206 -1.959 4.689 1.00 0.00 C flip ATOM 1793 CE1 HIS A 114 -6.347 -3.896 3.741 1.00 0.00 C flip ATOM 1794 NE2 HIS A 114 -6.088 -2.610 3.538 1.00 0.00 N flip ATOM 0 H HIS A 114 -4.713 -4.134 8.480 1.00 0.00 H new ATOM 0 HA HIS A 114 -5.217 -1.364 7.747 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -7.409 -3.436 7.473 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -7.504 -1.722 7.122 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -6.883 -4.946 5.522 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -6.057 -0.900 4.838 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -6.329 -4.672 2.990 1.00 0.00 H new ATOM 1803 N LEU A 115 -7.132 -1.597 9.746 1.00 0.00 N ATOM 1804 CA LEU A 115 -7.635 -1.559 11.084 1.00 0.00 C ATOM 1805 C LEU A 115 -9.106 -1.338 11.044 1.00 0.00 C ATOM 1806 O LEU A 115 -9.600 -0.557 10.231 1.00 0.00 O ATOM 1807 CB LEU A 115 -7.037 -0.378 11.869 1.00 0.00 C ATOM 1808 CG LEU A 115 -6.927 -0.567 13.405 1.00 0.00 C ATOM 1809 CD1 LEU A 115 -6.459 -1.914 13.978 1.00 0.00 C ATOM 1810 CD2 LEU A 115 -6.161 0.567 14.082 1.00 0.00 C ATOM 0 H LEU A 115 -7.555 -0.917 9.115 1.00 0.00 H new ATOM 0 HA LEU A 115 -7.372 -2.502 11.564 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.041 -0.174 11.476 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.644 0.506 11.674 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.988 -0.550 13.656 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.444 -1.861 15.067 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.144 -2.701 13.663 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.457 -2.137 13.612 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.114 0.384 15.156 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.150 0.615 13.678 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.671 1.512 13.897 1.00 0.00 H new ATOM 1822 N ASP A 116 -9.831 -2.010 11.963 1.00 0.00 N ATOM 1823 CA ASP A 116 -11.209 -1.698 12.211 1.00 0.00 C ATOM 1824 C ASP A 116 -11.196 -0.713 13.333 1.00 0.00 C ATOM 1825 O ASP A 116 -10.599 -0.956 14.382 1.00 0.00 O ATOM 1826 CB ASP A 116 -12.069 -2.891 12.664 1.00 0.00 C ATOM 1827 CG ASP A 116 -12.382 -3.826 11.499 1.00 0.00 C ATOM 1828 OD1 ASP A 116 -11.871 -3.598 10.372 1.00 0.00 O ATOM 1829 OD2 ASP A 116 -13.158 -4.790 11.735 1.00 0.00 O ATOM 0 H ASP A 116 -9.462 -2.770 12.534 1.00 0.00 H new ATOM 0 HA ASP A 116 -11.647 -1.342 11.279 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.546 -3.443 13.445 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.999 -2.526 13.100 1.00 0.00 H new ATOM 1834 N GLN A 117 -11.867 0.437 13.109 1.00 0.00 N ATOM 1835 CA GLN A 117 -11.859 1.550 14.017 1.00 0.00 C ATOM 1836 C GLN A 117 -13.205 1.653 14.666 1.00 0.00 C ATOM 1837 O GLN A 117 -13.496 2.655 15.316 1.00 0.00 O ATOM 1838 CB GLN A 117 -11.636 2.891 13.277 1.00 0.00 C ATOM 1839 CG GLN A 117 -10.291 3.023 12.541 1.00 0.00 C ATOM 1840 CD GLN A 117 -9.254 3.682 13.455 1.00 0.00 C ATOM 1841 OE1 GLN A 117 -8.904 2.982 14.573 1.00 0.00 O flip ATOM 1842 NE2 GLN A 117 -8.780 4.787 13.167 1.00 0.00 N flip ATOM 0 H GLN A 117 -12.430 0.597 12.274 1.00 0.00 H new ATOM 0 HA GLN A 117 -11.055 1.380 14.733 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -12.441 3.026 12.555 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -11.717 3.703 14.000 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -9.940 2.039 12.230 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -10.419 3.617 11.636 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -9.079 5.265 12.317 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -8.089 5.221 13.779 1.00 0.00 H new ATOM 1851 N SER A 118 -14.068 0.623 14.493 1.00 0.00 N ATOM 1852 CA SER A 118 -15.465 0.723 14.819 1.00 0.00 C ATOM 1853 C SER A 118 -15.676 0.365 16.250 1.00 0.00 C ATOM 1854 O SER A 118 -16.635 0.806 16.882 1.00 0.00 O ATOM 1855 CB SER A 118 -16.336 -0.222 13.980 1.00 0.00 C ATOM 1856 OG SER A 118 -16.187 0.084 12.602 1.00 0.00 O ATOM 0 H SER A 118 -13.792 -0.287 14.123 1.00 0.00 H new ATOM 0 HA SER A 118 -15.757 1.752 14.611 1.00 0.00 H new ATOM 0 HB2 SER A 118 -16.049 -1.257 14.165 1.00 0.00 H new ATOM 0 HB3 SER A 118 -17.381 -0.124 14.273 1.00 0.00 H new ATOM 0 HG SER A 118 -16.743 -0.523 12.070 1.00 0.00 H new ATOM 1862 N ILE A 119 -14.750 -0.454 16.783 1.00 0.00 N ATOM 1863 CA ILE A 119 -14.740 -0.873 18.151 1.00 0.00 C ATOM 1864 C ILE A 119 -14.074 0.152 18.987 1.00 0.00 C ATOM 1865 O ILE A 119 -14.255 0.181 20.204 1.00 0.00 O ATOM 1866 CB ILE A 119 -13.941 -2.125 18.412 1.00 0.00 C ATOM 1867 CG1 ILE A 119 -12.762 -2.375 17.443 1.00 0.00 C ATOM 1868 CG2 ILE A 119 -14.928 -3.282 18.485 1.00 0.00 C ATOM 1869 CD1 ILE A 119 -13.091 -3.096 16.136 1.00 0.00 C ATOM 0 H ILE A 119 -13.978 -0.839 16.239 1.00 0.00 H new ATOM 0 HA ILE A 119 -15.791 -1.040 18.387 1.00 0.00 H new ATOM 0 HB ILE A 119 -13.416 -2.010 19.361 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -12.313 -1.413 17.197 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -12.005 -2.955 17.971 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -14.388 -4.210 18.673 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -15.637 -3.105 19.293 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -15.466 -3.361 17.541 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -12.182 -3.211 15.545 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.506 -4.079 16.357 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -13.819 -2.513 15.572 1.00 0.00 H new ATOM 1881 N PHE A 120 -13.250 1.001 18.340 1.00 0.00 N ATOM 1882 CA PHE A 120 -12.368 1.898 19.012 1.00 0.00 C ATOM 1883 C PHE A 120 -13.004 3.248 18.933 1.00 0.00 C ATOM 1884 O PHE A 120 -12.385 4.221 18.509 1.00 0.00 O ATOM 1885 CB PHE A 120 -10.965 1.958 18.372 1.00 0.00 C ATOM 1886 CG PHE A 120 -10.246 0.632 18.287 1.00 0.00 C ATOM 1887 CD1 PHE A 120 -10.530 -0.517 19.024 1.00 0.00 C ATOM 1888 CD2 PHE A 120 -9.197 0.575 17.387 1.00 0.00 C ATOM 1889 CE1 PHE A 120 -9.774 -1.664 18.855 1.00 0.00 C ATOM 1890 CE2 PHE A 120 -8.447 -0.565 17.219 1.00 0.00 C ATOM 1891 CZ PHE A 120 -8.738 -1.692 17.951 1.00 0.00 C ATOM 0 H PHE A 120 -13.199 1.062 17.323 1.00 0.00 H new ATOM 0 HA PHE A 120 -12.221 1.556 20.036 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.058 2.369 17.367 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -10.350 2.652 18.945 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -11.346 -0.512 19.732 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -8.961 1.450 16.800 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -10.000 -2.545 19.438 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -7.630 -0.575 16.513 1.00 0.00 H new ATOM 0 HZ PHE A 120 -8.157 -2.593 17.817 1.00 0.00 H new ATOM 1901 N ARG A 121 -14.279 3.293 19.373 1.00 0.00 N ATOM 1902 CA ARG A 121 -15.160 4.428 19.499 1.00 0.00 C ATOM 1903 C ARG A 121 -15.376 5.156 18.209 1.00 0.00 C ATOM 1904 O ARG A 121 -15.091 6.345 18.076 1.00 0.00 O ATOM 1905 CB ARG A 121 -14.931 5.388 20.701 1.00 0.00 C ATOM 1906 CG ARG A 121 -13.587 6.137 20.805 1.00 0.00 C ATOM 1907 CD ARG A 121 -13.539 7.103 21.994 1.00 0.00 C ATOM 1908 NE ARG A 121 -14.566 8.163 21.773 1.00 0.00 N ATOM 1909 CZ ARG A 121 -15.018 8.945 22.798 1.00 0.00 C ATOM 1910 NH1 ARG A 121 -14.520 8.795 24.059 1.00 0.00 N ATOM 1911 NH2 ARG A 121 -15.974 9.889 22.556 1.00 0.00 N ATOM 0 H ARG A 121 -14.745 2.437 19.675 1.00 0.00 H new ATOM 0 HA ARG A 121 -16.099 3.944 19.769 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -15.725 6.135 20.684 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -15.058 4.809 21.616 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -12.778 5.412 20.898 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -13.413 6.693 19.883 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -13.736 6.571 22.925 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -12.547 7.547 22.084 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.939 8.307 20.835 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -13.803 8.094 24.244 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -14.865 9.384 24.817 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -16.347 10.007 21.614 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -16.315 10.476 23.317 1.00 0.00 H new ATOM 1925 N ARG A 122 -15.957 4.434 17.231 1.00 0.00 N ATOM 1926 CA ARG A 122 -16.527 5.069 16.078 1.00 0.00 C ATOM 1927 C ARG A 122 -17.818 4.337 15.829 1.00 0.00 C ATOM 1928 O ARG A 122 -17.772 3.237 15.280 1.00 0.00 O ATOM 1929 CB ARG A 122 -15.605 5.022 14.836 1.00 0.00 C ATOM 1930 CG ARG A 122 -16.007 5.955 13.678 1.00 0.00 C ATOM 1931 CD ARG A 122 -16.909 5.314 12.618 1.00 0.00 C ATOM 1932 NE ARG A 122 -17.209 6.347 11.588 1.00 0.00 N ATOM 1933 CZ ARG A 122 -18.188 6.141 10.659 1.00 0.00 C ATOM 1934 NH1 ARG A 122 -18.898 4.976 10.649 1.00 0.00 N ATOM 1935 NH2 ARG A 122 -18.456 7.107 9.731 1.00 0.00 N ATOM 0 H ARG A 122 -16.032 3.417 17.237 1.00 0.00 H new ATOM 0 HA ARG A 122 -16.677 6.133 16.260 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -14.591 5.274 15.148 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -15.579 3.998 14.463 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -16.518 6.824 14.092 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -15.101 6.319 13.192 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -16.414 4.455 12.164 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -17.830 4.948 13.071 1.00 0.00 H new ATOM 0 HE ARG A 122 -16.677 7.217 11.577 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -18.699 4.251 11.339 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -19.628 4.830 9.952 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -17.925 7.978 9.734 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -19.187 6.957 9.035 1.00 0.00 H new ATOM 1949 N PRO A 123 -18.976 4.870 16.181 1.00 0.00 N ATOM 1950 CA PRO A 123 -20.221 4.241 15.845 1.00 0.00 C ATOM 1951 C PRO A 123 -20.369 4.394 14.358 1.00 0.00 C ATOM 1952 O PRO A 123 -20.532 3.350 13.667 1.00 0.00 O ATOM 1953 CB PRO A 123 -21.283 5.036 16.610 1.00 0.00 C ATOM 1954 CG PRO A 123 -20.524 5.622 17.800 1.00 0.00 C ATOM 1955 CD PRO A 123 -19.129 5.867 17.226 1.00 0.00 C ATOM 1956 OXT PRO A 123 -20.334 5.555 13.866 1.00 0.00 O ATOM 0 HA PRO A 123 -20.297 3.184 16.101 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -21.718 5.820 15.990 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -22.103 4.396 16.936 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -20.982 6.544 18.157 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -20.499 4.932 18.643 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -19.038 6.877 16.825 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -18.361 5.758 17.992 1.00 0.00 H new TER 1964 PRO A 123