USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 986 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 114 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 117 GLN : amide:sc= -0.368 K(o=-0.37,f=-0.93) USER MOD Set 2.1: A 92 GLN : amide:sc= 0 K(o=-0.29,f=-1.3) USER MOD Set 2.2: A 105 SER OG : rot -80:sc= -0.292 USER MOD Set 3.1: A 35 GLN :FLIP amide:sc= -0.568 F(o=-2.2,f=-0.56) USER MOD Set 3.2: A 37 SER OG : rot -127:sc= 0.00576 USER MOD Set 4.1: A 15 THR OG1 : rot 83:sc= 0.0699 USER MOD Set 4.2: A 72 HIS : no HD1:sc= 0 K(o=0.07,f=-0.58) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0.00855 USER MOD Single : A 10 ASN : amide:sc= 0.393 K(o=0.39,f=-0.18) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.4 K(o=-0.4,f=-1.6) USER MOD Single : A 18 MET CE :methyl -148:sc= -3.34! (180deg=-5.69!) USER MOD Single : A 19 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.7) USER MOD Single : A 24 THR OG1 : rot 85:sc= 0.0665 USER MOD Single : A 27 ASN : amide:sc= -0.295 X(o=-0.29,f=-0.095) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -164:sc=-0.00598 (180deg=-0.128) USER MOD Single : A 63 LYS NZ :NH3+ -149:sc= -0.601 (180deg=-2.35) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -3.16! C(o=-3.2!,f=-3.9!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 120:sc= -1.08 USER MOD Single : A 76 SER OG : rot 9:sc= 0.511 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 162:sc= -0.476 (180deg=-1.22) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS :FLIP no HE2:sc= 0.0695 F(o=-0.46,f=0.069) USER MOD Single : A 90 ASN : amide:sc= 0.639 K(o=0.64,f=-2.1!) USER MOD Single : A 93 THR OG1 : rot 75:sc= 0.297 USER MOD Single : A 95 ASN : amide:sc= -3.14! C(o=-3.1!,f=-8.7!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN :FLIP amide:sc= -0.0504 F(o=-0.79,f=-0.05) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot 101:sc= 1.27 USER MOD Single : A 121 SER OG : rot 180:sc= 0.00206 USER MOD Single : A 122 SER OG : rot -70:sc= 0.202 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.609 23.371 14.985 1.00 0.00 N ATOM 2 CA GLY A 1 9.875 23.589 13.575 1.00 0.00 C ATOM 3 C GLY A 1 11.178 24.326 13.338 1.00 0.00 C ATOM 4 O GLY A 1 11.297 25.509 13.659 1.00 0.00 O ATOM 0 H1 GLY A 1 8.708 22.864 15.094 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.377 22.805 15.400 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.552 24.287 15.473 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.906 22.628 13.062 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.055 24.158 13.137 1.00 0.00 H new ATOM 8 N SER A 2 12.159 23.627 12.777 1.00 0.00 N ATOM 9 CA SER A 2 13.462 24.221 12.502 1.00 0.00 C ATOM 10 C SER A 2 13.866 23.997 11.048 1.00 0.00 C ATOM 11 O SER A 2 14.177 24.944 10.326 1.00 0.00 O ATOM 12 CB SER A 2 14.522 23.632 13.435 1.00 0.00 C ATOM 13 OG SER A 2 15.734 24.362 13.356 1.00 0.00 O ATOM 0 H SER A 2 12.076 22.648 12.504 1.00 0.00 H new ATOM 0 HA SER A 2 13.389 25.294 12.679 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.154 23.642 14.461 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.704 22.590 13.172 1.00 0.00 H new ATOM 0 HG SER A 2 16.394 23.967 13.963 1.00 0.00 H new ATOM 19 N SER A 3 13.859 22.736 10.627 1.00 0.00 N ATOM 20 CA SER A 3 14.228 22.385 9.260 1.00 0.00 C ATOM 21 C SER A 3 13.997 20.900 9.000 1.00 0.00 C ATOM 22 O SER A 3 14.015 20.086 9.922 1.00 0.00 O ATOM 23 CB SER A 3 15.694 22.739 8.999 1.00 0.00 C ATOM 24 OG SER A 3 16.554 22.025 9.870 1.00 0.00 O ATOM 0 H SER A 3 13.602 21.941 11.212 1.00 0.00 H new ATOM 0 HA SER A 3 13.597 22.957 8.580 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.948 22.510 7.964 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.842 23.810 9.134 1.00 0.00 H new ATOM 0 HG SER A 3 17.485 22.267 9.682 1.00 0.00 H new ATOM 30 N GLY A 4 13.781 20.554 7.734 1.00 0.00 N ATOM 31 CA GLY A 4 13.549 19.168 7.373 1.00 0.00 C ATOM 32 C GLY A 4 13.112 19.010 5.930 1.00 0.00 C ATOM 33 O GLY A 4 12.544 19.930 5.342 1.00 0.00 O ATOM 0 H GLY A 4 13.763 21.209 6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.462 18.595 7.538 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.786 18.748 8.028 1.00 0.00 H new ATOM 37 N SER A 5 13.378 17.840 5.358 1.00 0.00 N ATOM 38 CA SER A 5 13.013 17.566 3.973 1.00 0.00 C ATOM 39 C SER A 5 12.297 16.224 3.854 1.00 0.00 C ATOM 40 O SER A 5 12.917 15.166 3.966 1.00 0.00 O ATOM 41 CB SER A 5 14.258 17.573 3.084 1.00 0.00 C ATOM 42 OG SER A 5 14.629 18.896 2.736 1.00 0.00 O ATOM 0 H SER A 5 13.845 17.067 5.832 1.00 0.00 H new ATOM 0 HA SER A 5 12.333 18.351 3.641 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.083 17.086 3.604 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.066 16.996 2.179 1.00 0.00 H new ATOM 0 HG SER A 5 15.428 18.873 2.169 1.00 0.00 H new ATOM 48 N SER A 6 10.989 16.276 3.628 1.00 0.00 N ATOM 49 CA SER A 6 10.187 15.066 3.498 1.00 0.00 C ATOM 50 C SER A 6 8.765 15.400 3.055 1.00 0.00 C ATOM 51 O SER A 6 8.183 16.391 3.495 1.00 0.00 O ATOM 52 CB SER A 6 10.154 14.305 4.825 1.00 0.00 C ATOM 53 OG SER A 6 9.479 15.050 5.823 1.00 0.00 O ATOM 0 H SER A 6 10.462 17.144 3.531 1.00 0.00 H new ATOM 0 HA SER A 6 10.647 14.436 2.737 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.657 13.345 4.685 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.172 14.093 5.151 1.00 0.00 H new ATOM 0 HG SER A 6 9.470 14.542 6.661 1.00 0.00 H new ATOM 59 N GLY A 7 8.212 14.565 2.181 1.00 0.00 N ATOM 60 CA GLY A 7 6.864 14.789 1.692 1.00 0.00 C ATOM 61 C GLY A 7 5.839 14.811 2.809 1.00 0.00 C ATOM 62 O GLY A 7 6.099 14.323 3.909 1.00 0.00 O ATOM 0 H GLY A 7 8.673 13.738 1.803 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.829 15.735 1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.604 14.006 0.980 1.00 0.00 H new ATOM 66 N SER A 8 4.672 15.381 2.527 1.00 0.00 N ATOM 67 CA SER A 8 3.606 15.470 3.518 1.00 0.00 C ATOM 68 C SER A 8 2.986 14.100 3.774 1.00 0.00 C ATOM 69 O SER A 8 2.977 13.223 2.910 1.00 0.00 O ATOM 70 CB SER A 8 2.529 16.452 3.053 1.00 0.00 C ATOM 71 OG SER A 8 2.143 16.188 1.715 1.00 0.00 O ATOM 0 H SER A 8 4.441 15.788 1.621 1.00 0.00 H new ATOM 0 HA SER A 8 4.040 15.833 4.450 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.660 16.380 3.707 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.904 17.472 3.132 1.00 0.00 H new ATOM 0 HG SER A 8 1.453 16.828 1.441 1.00 0.00 H new ATOM 77 N PRO A 9 2.453 13.911 4.991 1.00 0.00 N ATOM 78 CA PRO A 9 1.820 12.650 5.390 1.00 0.00 C ATOM 79 C PRO A 9 0.499 12.410 4.667 1.00 0.00 C ATOM 80 O PRO A 9 -0.388 13.263 4.676 1.00 0.00 O ATOM 81 CB PRO A 9 1.582 12.833 6.891 1.00 0.00 C ATOM 82 CG PRO A 9 1.498 14.307 7.085 1.00 0.00 C ATOM 83 CD PRO A 9 2.428 14.912 6.070 1.00 0.00 C ATOM 0 HA PRO A 9 2.439 11.787 5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.664 12.339 7.209 1.00 0.00 H new ATOM 0 HB3 PRO A 9 2.395 12.403 7.476 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.478 14.662 6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.791 14.585 8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.063 15.876 5.715 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.422 15.080 6.485 1.00 0.00 H new ATOM 91 N ASN A 10 0.376 11.244 4.041 1.00 0.00 N ATOM 92 CA ASN A 10 -0.838 10.893 3.313 1.00 0.00 C ATOM 93 C ASN A 10 -2.081 11.306 4.095 1.00 0.00 C ATOM 94 O ASN A 10 -2.082 11.359 5.325 1.00 0.00 O ATOM 95 CB ASN A 10 -0.873 9.389 3.034 1.00 0.00 C ATOM 96 CG ASN A 10 -0.050 9.006 1.819 1.00 0.00 C ATOM 97 OD1 ASN A 10 -0.494 9.161 0.682 1.00 0.00 O ATOM 98 ND2 ASN A 10 1.155 8.502 2.056 1.00 0.00 N ATOM 0 H ASN A 10 1.101 10.527 4.023 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.832 11.432 2.365 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -0.500 8.852 3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -1.906 9.074 2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.754 8.225 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 10 1.482 8.392 3.016 1.00 0.00 H new ATOM 105 N PRO A 11 -3.166 11.605 3.366 1.00 0.00 N ATOM 106 CA PRO A 11 -4.437 12.017 3.970 1.00 0.00 C ATOM 107 C PRO A 11 -5.126 10.874 4.707 1.00 0.00 C ATOM 108 O PRO A 11 -4.744 9.709 4.592 1.00 0.00 O ATOM 109 CB PRO A 11 -5.274 12.460 2.768 1.00 0.00 C ATOM 110 CG PRO A 11 -4.707 11.708 1.613 1.00 0.00 C ATOM 111 CD PRO A 11 -3.237 11.563 1.896 1.00 0.00 C ATOM 0 HA PRO A 11 -4.298 12.796 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.329 12.227 2.913 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.204 13.537 2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.183 10.733 1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.874 12.244 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.842 10.627 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.659 12.369 1.443 1.00 0.00 H new ATOM 119 N PRO A 12 -6.167 11.211 5.483 1.00 0.00 N ATOM 120 CA PRO A 12 -6.933 10.227 6.253 1.00 0.00 C ATOM 121 C PRO A 12 -7.767 9.314 5.360 1.00 0.00 C ATOM 122 O PRO A 12 -8.211 8.248 5.787 1.00 0.00 O ATOM 123 CB PRO A 12 -7.840 11.091 7.131 1.00 0.00 C ATOM 124 CG PRO A 12 -7.983 12.372 6.384 1.00 0.00 C ATOM 125 CD PRO A 12 -6.678 12.580 5.666 1.00 0.00 C ATOM 0 HA PRO A 12 -6.284 9.557 6.817 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.808 10.615 7.289 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.400 11.254 8.115 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.813 12.322 5.679 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -8.191 13.199 7.063 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.821 13.086 4.711 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.990 13.191 6.251 1.00 0.00 H new ATOM 133 N LYS A 13 -7.977 9.739 4.119 1.00 0.00 N ATOM 134 CA LYS A 13 -8.757 8.960 3.165 1.00 0.00 C ATOM 135 C LYS A 13 -7.877 7.944 2.444 1.00 0.00 C ATOM 136 O LYS A 13 -8.326 6.848 2.106 1.00 0.00 O ATOM 137 CB LYS A 13 -9.426 9.885 2.146 1.00 0.00 C ATOM 138 CG LYS A 13 -10.674 9.293 1.514 1.00 0.00 C ATOM 139 CD LYS A 13 -11.603 10.377 0.993 1.00 0.00 C ATOM 140 CE LYS A 13 -12.359 11.055 2.125 1.00 0.00 C ATOM 141 NZ LYS A 13 -13.251 12.138 1.626 1.00 0.00 N ATOM 0 H LYS A 13 -7.618 10.619 3.750 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.527 8.421 3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.687 10.823 2.636 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.710 10.125 1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.390 8.632 0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.201 8.683 2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.025 11.120 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.313 9.942 0.289 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.952 10.314 2.661 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.648 11.470 2.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.748 12.575 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.682 12.858 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.946 11.738 0.964 1.00 0.00 H new ATOM 155 N LEU A 14 -6.622 8.314 2.212 1.00 0.00 N ATOM 156 CA LEU A 14 -5.678 7.434 1.533 1.00 0.00 C ATOM 157 C LEU A 14 -5.015 6.480 2.521 1.00 0.00 C ATOM 158 O LEU A 14 -5.072 5.260 2.358 1.00 0.00 O ATOM 159 CB LEU A 14 -4.613 8.258 0.809 1.00 0.00 C ATOM 160 CG LEU A 14 -3.767 7.507 -0.220 1.00 0.00 C ATOM 161 CD1 LEU A 14 -2.825 6.534 0.472 1.00 0.00 C ATOM 162 CD2 LEU A 14 -4.659 6.774 -1.211 1.00 0.00 C ATOM 0 H LEU A 14 -6.235 9.218 2.484 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.231 6.844 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.106 9.090 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.945 8.687 1.556 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.168 8.233 -0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.231 6.009 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.163 7.083 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.405 5.812 1.047 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.040 6.245 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.284 6.058 -0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.293 7.493 -1.731 1.00 0.00 H new ATOM 174 N THR A 15 -4.386 7.043 3.548 1.00 0.00 N ATOM 175 CA THR A 15 -3.713 6.243 4.563 1.00 0.00 C ATOM 176 C THR A 15 -4.610 5.115 5.060 1.00 0.00 C ATOM 177 O THR A 15 -4.223 3.947 5.046 1.00 0.00 O ATOM 178 CB THR A 15 -3.281 7.107 5.764 1.00 0.00 C ATOM 179 OG1 THR A 15 -2.342 8.101 5.339 1.00 0.00 O ATOM 180 CG2 THR A 15 -2.658 6.246 6.853 1.00 0.00 C ATOM 0 H THR A 15 -4.329 8.050 3.698 1.00 0.00 H new ATOM 0 HA THR A 15 -2.827 5.817 4.093 1.00 0.00 H new ATOM 0 HB THR A 15 -4.167 7.595 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.824 8.871 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.361 6.877 7.690 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.385 5.509 7.194 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.782 5.734 6.455 1.00 0.00 H new ATOM 188 N LYS A 16 -5.813 5.472 5.498 1.00 0.00 N ATOM 189 CA LYS A 16 -6.768 4.490 5.998 1.00 0.00 C ATOM 190 C LYS A 16 -6.974 3.368 4.985 1.00 0.00 C ATOM 191 O LYS A 16 -6.959 2.190 5.340 1.00 0.00 O ATOM 192 CB LYS A 16 -8.107 5.163 6.309 1.00 0.00 C ATOM 193 CG LYS A 16 -8.063 6.068 7.528 1.00 0.00 C ATOM 194 CD LYS A 16 -8.196 5.274 8.817 1.00 0.00 C ATOM 195 CE LYS A 16 -7.811 6.110 10.028 1.00 0.00 C ATOM 196 NZ LYS A 16 -8.384 5.558 11.287 1.00 0.00 N ATOM 0 H LYS A 16 -6.150 6.435 5.517 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.363 4.060 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.420 5.747 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.863 4.394 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.125 6.623 7.537 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.867 6.802 7.467 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -9.223 4.925 8.926 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.562 4.389 8.768 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.725 6.151 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.159 7.133 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -8.099 6.155 12.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.422 5.542 11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.032 4.590 11.434 1.00 0.00 H new ATOM 210 N GLN A 17 -7.166 3.743 3.724 1.00 0.00 N ATOM 211 CA GLN A 17 -7.374 2.767 2.662 1.00 0.00 C ATOM 212 C GLN A 17 -6.501 1.535 2.875 1.00 0.00 C ATOM 213 O GLN A 17 -7.006 0.423 3.028 1.00 0.00 O ATOM 214 CB GLN A 17 -7.071 3.392 1.299 1.00 0.00 C ATOM 215 CG GLN A 17 -7.872 2.784 0.159 1.00 0.00 C ATOM 216 CD GLN A 17 -7.726 3.561 -1.135 1.00 0.00 C ATOM 217 OE1 GLN A 17 -6.710 4.217 -1.368 1.00 0.00 O ATOM 218 NE2 GLN A 17 -8.742 3.489 -1.987 1.00 0.00 N ATOM 0 H GLN A 17 -7.182 4.715 3.414 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.419 2.458 2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.276 4.462 1.346 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.008 3.280 1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.547 1.756 -0.000 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.925 2.746 0.439 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.565 2.934 -1.754 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.699 3.989 -2.875 1.00 0.00 H new ATOM 227 N MET A 18 -5.188 1.741 2.882 1.00 0.00 N ATOM 228 CA MET A 18 -4.244 0.646 3.078 1.00 0.00 C ATOM 229 C MET A 18 -4.649 -0.214 4.270 1.00 0.00 C ATOM 230 O MET A 18 -4.758 -1.434 4.158 1.00 0.00 O ATOM 231 CB MET A 18 -2.831 1.194 3.285 1.00 0.00 C ATOM 232 CG MET A 18 -2.261 1.887 2.058 1.00 0.00 C ATOM 233 SD MET A 18 -2.650 3.647 2.010 1.00 0.00 S ATOM 234 CE MET A 18 -1.109 4.318 1.392 1.00 0.00 C ATOM 0 H MET A 18 -4.754 2.655 2.754 1.00 0.00 H new ATOM 0 HA MET A 18 -4.257 0.023 2.183 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.842 1.898 4.117 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.171 0.375 3.569 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.179 1.758 2.042 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.652 1.408 1.160 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.951 5.312 1.811 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.286 3.666 1.683 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.152 4.386 0.305 1.00 0.00 H new ATOM 244 N ASN A 19 -4.869 0.430 5.412 1.00 0.00 N ATOM 245 CA ASN A 19 -5.261 -0.278 6.625 1.00 0.00 C ATOM 246 C ASN A 19 -6.533 -1.088 6.396 1.00 0.00 C ATOM 247 O ASN A 19 -6.547 -2.305 6.578 1.00 0.00 O ATOM 248 CB ASN A 19 -5.474 0.713 7.772 1.00 0.00 C ATOM 249 CG ASN A 19 -4.172 1.122 8.432 1.00 0.00 C ATOM 250 OD1 ASN A 19 -3.250 0.317 8.563 1.00 0.00 O ATOM 251 ND2 ASN A 19 -4.091 2.379 8.852 1.00 0.00 N ATOM 0 H ASN A 19 -4.782 1.440 5.522 1.00 0.00 H new ATOM 0 HA ASN A 19 -4.457 -0.965 6.890 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.980 1.601 7.392 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.131 0.266 8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -3.239 2.712 9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.880 3.012 8.722 1.00 0.00 H new ATOM 258 N ALA A 20 -7.599 -0.405 5.994 1.00 0.00 N ATOM 259 CA ALA A 20 -8.875 -1.061 5.737 1.00 0.00 C ATOM 260 C ALA A 20 -8.674 -2.387 5.011 1.00 0.00 C ATOM 261 O ALA A 20 -9.280 -3.398 5.366 1.00 0.00 O ATOM 262 CB ALA A 20 -9.785 -0.148 4.929 1.00 0.00 C ATOM 0 H ALA A 20 -7.605 0.603 5.839 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.348 -1.270 6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -10.734 -0.651 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -9.964 0.772 5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.310 0.090 3.977 1.00 0.00 H new ATOM 268 N ILE A 21 -7.820 -2.375 3.993 1.00 0.00 N ATOM 269 CA ILE A 21 -7.539 -3.577 3.218 1.00 0.00 C ATOM 270 C ILE A 21 -6.810 -4.617 4.062 1.00 0.00 C ATOM 271 O ILE A 21 -7.386 -5.637 4.443 1.00 0.00 O ATOM 272 CB ILE A 21 -6.693 -3.259 1.971 1.00 0.00 C ATOM 273 CG1 ILE A 21 -7.509 -2.438 0.970 1.00 0.00 C ATOM 274 CG2 ILE A 21 -6.193 -4.543 1.328 1.00 0.00 C ATOM 275 CD1 ILE A 21 -6.664 -1.755 -0.082 1.00 0.00 C ATOM 0 H ILE A 21 -7.311 -1.546 3.686 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.501 -3.979 2.900 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.829 -2.669 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.229 -3.092 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.081 -1.684 1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.597 -4.301 0.448 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.580 -5.093 2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.044 -5.157 1.032 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.308 -1.192 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.961 -1.076 0.400 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.112 -2.505 -0.649 1.00 0.00 H new ATOM 287 N ILE A 22 -5.541 -4.352 4.351 1.00 0.00 N ATOM 288 CA ILE A 22 -4.733 -5.264 5.152 1.00 0.00 C ATOM 289 C ILE A 22 -5.512 -5.768 6.362 1.00 0.00 C ATOM 290 O ILE A 22 -5.702 -6.972 6.533 1.00 0.00 O ATOM 291 CB ILE A 22 -3.435 -4.590 5.635 1.00 0.00 C ATOM 292 CG1 ILE A 22 -2.439 -4.466 4.480 1.00 0.00 C ATOM 293 CG2 ILE A 22 -2.826 -5.378 6.785 1.00 0.00 C ATOM 294 CD1 ILE A 22 -2.102 -5.789 3.828 1.00 0.00 C ATOM 0 H ILE A 22 -5.050 -3.513 4.043 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.477 -6.107 4.510 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.674 -3.588 5.993 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.850 -3.793 3.727 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.521 -4.008 4.850 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.909 -4.890 7.116 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.534 -5.420 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.598 -6.390 6.452 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.391 -5.625 3.018 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.661 -6.457 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.010 -6.239 3.428 1.00 0.00 H new ATOM 306 N ASP A 23 -5.961 -4.839 7.199 1.00 0.00 N ATOM 307 CA ASP A 23 -6.722 -5.188 8.393 1.00 0.00 C ATOM 308 C ASP A 23 -7.606 -6.405 8.137 1.00 0.00 C ATOM 309 O ASP A 23 -7.535 -7.401 8.857 1.00 0.00 O ATOM 310 CB ASP A 23 -7.579 -4.004 8.842 1.00 0.00 C ATOM 311 CG ASP A 23 -6.806 -3.020 9.697 1.00 0.00 C ATOM 312 OD1 ASP A 23 -6.500 -3.358 10.860 1.00 0.00 O ATOM 313 OD2 ASP A 23 -6.507 -1.912 9.204 1.00 0.00 O ATOM 0 H ASP A 23 -5.811 -3.838 7.072 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.015 -5.435 9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.970 -3.489 7.964 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.437 -4.373 9.404 1.00 0.00 H new ATOM 318 N THR A 24 -8.441 -6.317 7.106 1.00 0.00 N ATOM 319 CA THR A 24 -9.341 -7.409 6.756 1.00 0.00 C ATOM 320 C THR A 24 -8.562 -8.653 6.346 1.00 0.00 C ATOM 321 O THR A 24 -8.751 -9.730 6.911 1.00 0.00 O ATOM 322 CB THR A 24 -10.289 -7.009 5.610 1.00 0.00 C ATOM 323 OG1 THR A 24 -11.145 -5.942 6.032 1.00 0.00 O ATOM 324 CG2 THR A 24 -11.131 -8.196 5.166 1.00 0.00 C ATOM 0 H THR A 24 -8.513 -5.501 6.499 1.00 0.00 H new ATOM 0 HA THR A 24 -9.931 -7.630 7.645 1.00 0.00 H new ATOM 0 HB THR A 24 -9.684 -6.676 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.688 -5.085 5.901 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.793 -7.890 4.356 1.00 0.00 H new ATOM 0 HG22 THR A 24 -10.477 -8.996 4.818 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.727 -8.554 6.006 1.00 0.00 H new ATOM 332 N VAL A 25 -7.685 -8.498 5.359 1.00 0.00 N ATOM 333 CA VAL A 25 -6.875 -9.609 4.874 1.00 0.00 C ATOM 334 C VAL A 25 -6.240 -10.372 6.031 1.00 0.00 C ATOM 335 O VAL A 25 -6.473 -11.569 6.201 1.00 0.00 O ATOM 336 CB VAL A 25 -5.765 -9.123 3.924 1.00 0.00 C ATOM 337 CG1 VAL A 25 -4.862 -10.278 3.521 1.00 0.00 C ATOM 338 CG2 VAL A 25 -6.369 -8.455 2.697 1.00 0.00 C ATOM 0 H VAL A 25 -7.517 -7.613 4.880 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.545 -10.273 4.328 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.158 -8.386 4.450 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.084 -9.914 2.850 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.402 -10.708 4.411 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.452 -11.041 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.570 -8.118 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.000 -9.169 2.168 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.969 -7.600 3.007 1.00 0.00 H new ATOM 348 N ILE A 26 -5.436 -9.672 6.824 1.00 0.00 N ATOM 349 CA ILE A 26 -4.768 -10.283 7.966 1.00 0.00 C ATOM 350 C ILE A 26 -5.781 -10.818 8.973 1.00 0.00 C ATOM 351 O ILE A 26 -5.614 -11.910 9.515 1.00 0.00 O ATOM 352 CB ILE A 26 -3.836 -9.282 8.675 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.687 -8.879 7.750 1.00 0.00 C ATOM 354 CG2 ILE A 26 -3.299 -9.882 9.966 1.00 0.00 C ATOM 355 CD1 ILE A 26 -1.845 -7.745 8.290 1.00 0.00 C ATOM 0 H ILE A 26 -5.231 -8.681 6.696 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.172 -11.110 7.578 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.408 -8.388 8.923 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.048 -9.745 7.579 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.096 -8.588 6.782 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.642 -9.163 10.456 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.130 -10.124 10.628 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.739 -10.790 9.740 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.050 -7.513 7.582 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.471 -6.864 8.435 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.407 -8.039 9.244 1.00 0.00 H new ATOM 367 N ASN A 27 -6.832 -10.042 9.217 1.00 0.00 N ATOM 368 CA ASN A 27 -7.873 -10.439 10.158 1.00 0.00 C ATOM 369 C ASN A 27 -9.054 -11.071 9.428 1.00 0.00 C ATOM 370 O ASN A 27 -10.212 -10.800 9.748 1.00 0.00 O ATOM 371 CB ASN A 27 -8.347 -9.230 10.967 1.00 0.00 C ATOM 372 CG ASN A 27 -7.209 -8.537 11.691 1.00 0.00 C ATOM 373 OD1 ASN A 27 -6.369 -9.186 12.315 1.00 0.00 O ATOM 374 ND2 ASN A 27 -7.176 -7.212 11.611 1.00 0.00 N ATOM 0 H ASN A 27 -6.985 -9.135 8.776 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.450 -11.179 10.837 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.836 -8.520 10.301 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.093 -9.552 11.693 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.434 -6.691 12.078 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.893 -6.715 11.083 1.00 0.00 H new ATOM 381 N TYR A 28 -8.754 -11.914 8.446 1.00 0.00 N ATOM 382 CA TYR A 28 -9.790 -12.583 7.669 1.00 0.00 C ATOM 383 C TYR A 28 -9.938 -14.039 8.098 1.00 0.00 C ATOM 384 O TYR A 28 -8.956 -14.705 8.428 1.00 0.00 O ATOM 385 CB TYR A 28 -9.465 -12.509 6.176 1.00 0.00 C ATOM 386 CG TYR A 28 -10.201 -13.535 5.345 1.00 0.00 C ATOM 387 CD1 TYR A 28 -9.753 -14.848 5.269 1.00 0.00 C ATOM 388 CD2 TYR A 28 -11.346 -13.192 4.636 1.00 0.00 C ATOM 389 CE1 TYR A 28 -10.423 -15.789 4.510 1.00 0.00 C ATOM 390 CE2 TYR A 28 -12.022 -14.126 3.875 1.00 0.00 C ATOM 391 CZ TYR A 28 -11.557 -15.423 3.815 1.00 0.00 C ATOM 392 OH TYR A 28 -12.227 -16.357 3.059 1.00 0.00 O ATOM 0 H TYR A 28 -7.801 -12.150 8.169 1.00 0.00 H new ATOM 0 HA TYR A 28 -10.735 -12.072 7.854 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -9.710 -11.513 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.392 -12.645 6.039 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.866 -15.138 5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -11.714 -12.178 4.681 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -10.061 -16.805 4.461 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -12.910 -13.842 3.330 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.004 -15.938 2.635 1.00 0.00 H new ATOM 402 N LYS A 29 -11.173 -14.530 8.089 1.00 0.00 N ATOM 403 CA LYS A 29 -11.452 -15.908 8.474 1.00 0.00 C ATOM 404 C LYS A 29 -11.727 -16.771 7.247 1.00 0.00 C ATOM 405 O LYS A 29 -12.451 -16.362 6.338 1.00 0.00 O ATOM 406 CB LYS A 29 -12.649 -15.960 9.426 1.00 0.00 C ATOM 407 CG LYS A 29 -13.992 -15.955 8.716 1.00 0.00 C ATOM 408 CD LYS A 29 -15.142 -15.823 9.700 1.00 0.00 C ATOM 409 CE LYS A 29 -16.424 -16.423 9.142 1.00 0.00 C ATOM 410 NZ LYS A 29 -17.635 -15.767 9.707 1.00 0.00 N ATOM 0 H LYS A 29 -11.997 -13.993 7.819 1.00 0.00 H new ATOM 0 HA LYS A 29 -10.573 -16.302 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.575 -16.858 10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.602 -15.107 10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.025 -15.131 8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.105 -16.876 8.144 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.882 -16.321 10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.303 -14.771 9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -16.430 -16.323 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.452 -17.490 9.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -18.487 -16.204 9.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -17.643 -15.884 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -17.621 -14.754 9.474 1.00 0.00 H new ATOM 424 N ASP A 30 -11.147 -17.966 7.228 1.00 0.00 N ATOM 425 CA ASP A 30 -11.332 -18.888 6.113 1.00 0.00 C ATOM 426 C ASP A 30 -12.241 -20.046 6.511 1.00 0.00 C ATOM 427 O ASP A 30 -13.036 -20.529 5.705 1.00 0.00 O ATOM 428 CB ASP A 30 -9.980 -19.423 5.637 1.00 0.00 C ATOM 429 CG ASP A 30 -9.173 -20.039 6.763 1.00 0.00 C ATOM 430 OD1 ASP A 30 -8.845 -19.312 7.723 1.00 0.00 O ATOM 431 OD2 ASP A 30 -8.868 -21.248 6.682 1.00 0.00 O ATOM 0 H ASP A 30 -10.545 -18.319 7.972 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.806 -18.343 5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -10.141 -20.169 4.859 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.409 -18.611 5.187 1.00 0.00 H new ATOM 436 N SER A 31 -12.116 -20.488 7.758 1.00 0.00 N ATOM 437 CA SER A 31 -12.923 -21.593 8.262 1.00 0.00 C ATOM 438 C SER A 31 -13.921 -21.105 9.308 1.00 0.00 C ATOM 439 O SER A 31 -15.121 -21.021 9.045 1.00 0.00 O ATOM 440 CB SER A 31 -12.025 -22.675 8.864 1.00 0.00 C ATOM 441 OG SER A 31 -12.781 -23.810 9.248 1.00 0.00 O ATOM 0 H SER A 31 -11.464 -20.098 8.438 1.00 0.00 H new ATOM 0 HA SER A 31 -13.478 -22.016 7.425 1.00 0.00 H new ATOM 0 HB2 SER A 31 -11.267 -22.968 8.138 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.499 -22.275 9.731 1.00 0.00 H new ATOM 0 HG SER A 31 -12.184 -24.488 9.628 1.00 0.00 H new ATOM 447 N SER A 32 -13.416 -20.785 10.494 1.00 0.00 N ATOM 448 CA SER A 32 -14.262 -20.308 11.582 1.00 0.00 C ATOM 449 C SER A 32 -13.845 -18.908 12.022 1.00 0.00 C ATOM 450 O SER A 32 -14.681 -18.018 12.172 1.00 0.00 O ATOM 451 CB SER A 32 -14.191 -21.270 12.770 1.00 0.00 C ATOM 452 OG SER A 32 -15.026 -22.396 12.565 1.00 0.00 O ATOM 0 H SER A 32 -12.425 -20.847 10.727 1.00 0.00 H new ATOM 0 HA SER A 32 -15.289 -20.265 11.218 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.162 -21.598 12.915 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.492 -20.751 13.680 1.00 0.00 H new ATOM 0 HG SER A 32 -14.961 -22.996 13.337 1.00 0.00 H new ATOM 458 N GLY A 33 -12.544 -18.721 12.226 1.00 0.00 N ATOM 459 CA GLY A 33 -12.038 -17.428 12.646 1.00 0.00 C ATOM 460 C GLY A 33 -10.534 -17.316 12.491 1.00 0.00 C ATOM 461 O GLY A 33 -10.022 -16.277 12.074 1.00 0.00 O ATOM 0 H GLY A 33 -11.832 -19.442 12.108 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.520 -16.645 12.060 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.306 -17.257 13.689 1.00 0.00 H new ATOM 465 N ARG A 34 -9.825 -18.387 12.829 1.00 0.00 N ATOM 466 CA ARG A 34 -8.370 -18.404 12.728 1.00 0.00 C ATOM 467 C ARG A 34 -7.907 -17.727 11.441 1.00 0.00 C ATOM 468 O ARG A 34 -8.457 -17.971 10.368 1.00 0.00 O ATOM 469 CB ARG A 34 -7.851 -19.842 12.776 1.00 0.00 C ATOM 470 CG ARG A 34 -6.444 -19.963 13.339 1.00 0.00 C ATOM 471 CD ARG A 34 -6.436 -19.825 14.853 1.00 0.00 C ATOM 472 NE ARG A 34 -6.739 -21.089 15.519 1.00 0.00 N ATOM 473 CZ ARG A 34 -6.898 -21.208 16.833 1.00 0.00 C ATOM 474 NH1 ARG A 34 -6.784 -20.144 17.616 1.00 0.00 N ATOM 475 NH2 ARG A 34 -7.172 -22.392 17.364 1.00 0.00 N ATOM 0 H ARG A 34 -10.234 -19.255 13.175 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.965 -17.851 13.575 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.529 -20.444 13.382 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.868 -20.259 11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.020 -20.927 13.058 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.808 -19.195 12.899 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.459 -19.468 15.179 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.166 -19.073 15.152 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.834 -21.926 14.944 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.574 -19.232 17.210 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.906 -20.237 18.624 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.261 -23.212 16.764 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.294 -22.483 18.373 1.00 0.00 H new ATOM 489 N GLN A 35 -6.893 -16.875 11.559 1.00 0.00 N ATOM 490 CA GLN A 35 -6.358 -16.163 10.405 1.00 0.00 C ATOM 491 C GLN A 35 -5.193 -16.927 9.785 1.00 0.00 C ATOM 492 O GLN A 35 -4.241 -17.295 10.474 1.00 0.00 O ATOM 493 CB GLN A 35 -5.903 -14.760 10.811 1.00 0.00 C ATOM 494 CG GLN A 35 -5.000 -14.743 12.034 1.00 0.00 C ATOM 495 CD GLN A 35 -4.014 -13.592 12.016 1.00 0.00 C ATOM 496 OE1 GLN A 35 -4.518 -12.384 11.796 1.00 0.00 O flip ATOM 497 NE2 GLN A 35 -2.812 -13.786 12.198 1.00 0.00 N flip ATOM 0 H GLN A 35 -6.427 -16.662 12.441 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.151 -16.080 9.662 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.376 -14.302 9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.781 -14.146 11.010 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.613 -14.677 12.933 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.453 -15.684 12.090 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.467 -14.732 12.364 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -2.161 -13.001 12.183 1.00 0.00 H new ATOM 506 N LEU A 36 -5.275 -17.165 8.480 1.00 0.00 N ATOM 507 CA LEU A 36 -4.228 -17.887 7.767 1.00 0.00 C ATOM 508 C LEU A 36 -2.919 -17.104 7.783 1.00 0.00 C ATOM 509 O LEU A 36 -1.841 -17.674 7.612 1.00 0.00 O ATOM 510 CB LEU A 36 -4.657 -18.153 6.323 1.00 0.00 C ATOM 511 CG LEU A 36 -6.160 -18.316 6.089 1.00 0.00 C ATOM 512 CD1 LEU A 36 -6.804 -16.969 5.800 1.00 0.00 C ATOM 513 CD2 LEU A 36 -6.420 -19.288 4.948 1.00 0.00 C ATOM 0 H LEU A 36 -6.056 -16.868 7.895 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.068 -18.839 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -4.300 -17.332 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.155 -19.057 5.976 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.607 -18.723 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.873 -17.104 5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.649 -16.302 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.353 -16.534 4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.494 -19.392 4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.959 -18.910 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.993 -20.260 5.194 1.00 0.00 H new ATOM 525 N SER A 37 -3.020 -15.796 7.993 1.00 0.00 N ATOM 526 CA SER A 37 -1.844 -14.934 8.030 1.00 0.00 C ATOM 527 C SER A 37 -0.905 -15.346 9.160 1.00 0.00 C ATOM 528 O SER A 37 0.219 -14.855 9.257 1.00 0.00 O ATOM 529 CB SER A 37 -2.261 -13.473 8.206 1.00 0.00 C ATOM 530 OG SER A 37 -3.391 -13.364 9.055 1.00 0.00 O ATOM 0 H SER A 37 -3.904 -15.309 8.140 1.00 0.00 H new ATOM 0 HA SER A 37 -1.315 -15.041 7.083 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.432 -12.903 8.624 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.489 -13.037 7.233 1.00 0.00 H new ATOM 0 HG SER A 37 -4.091 -12.847 8.604 1.00 0.00 H new ATOM 536 N GLU A 38 -1.376 -16.252 10.012 1.00 0.00 N ATOM 537 CA GLU A 38 -0.578 -16.729 11.136 1.00 0.00 C ATOM 538 C GLU A 38 0.800 -17.190 10.668 1.00 0.00 C ATOM 539 O GLU A 38 1.814 -16.880 11.292 1.00 0.00 O ATOM 540 CB GLU A 38 -1.297 -17.877 11.848 1.00 0.00 C ATOM 541 CG GLU A 38 -2.230 -17.417 12.956 1.00 0.00 C ATOM 542 CD GLU A 38 -2.457 -18.485 14.008 1.00 0.00 C ATOM 543 OE1 GLU A 38 -2.519 -19.676 13.639 1.00 0.00 O ATOM 544 OE2 GLU A 38 -2.574 -18.129 15.199 1.00 0.00 O ATOM 0 H GLU A 38 -2.304 -16.670 9.945 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.448 -15.902 11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.869 -18.446 11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.554 -18.555 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.814 -16.528 13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.188 -17.129 12.523 1.00 0.00 H new ATOM 551 N VAL A 39 0.827 -17.932 9.566 1.00 0.00 N ATOM 552 CA VAL A 39 2.079 -18.435 9.014 1.00 0.00 C ATOM 553 C VAL A 39 2.758 -17.384 8.144 1.00 0.00 C ATOM 554 O VAL A 39 3.836 -17.616 7.597 1.00 0.00 O ATOM 555 CB VAL A 39 1.852 -19.709 8.178 1.00 0.00 C ATOM 556 CG1 VAL A 39 0.953 -20.684 8.924 1.00 0.00 C ATOM 557 CG2 VAL A 39 1.261 -19.357 6.821 1.00 0.00 C ATOM 0 H VAL A 39 -0.004 -18.198 9.038 1.00 0.00 H new ATOM 0 HA VAL A 39 2.724 -18.674 9.860 1.00 0.00 H new ATOM 0 HB VAL A 39 2.815 -20.192 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.804 -21.578 8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.421 -20.960 9.869 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.011 -20.214 9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.107 -20.269 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.306 -18.850 6.960 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.946 -18.700 6.285 1.00 0.00 H new ATOM 567 N PHE A 40 2.119 -16.225 8.019 1.00 0.00 N ATOM 568 CA PHE A 40 2.661 -15.136 7.215 1.00 0.00 C ATOM 569 C PHE A 40 3.039 -13.946 8.093 1.00 0.00 C ATOM 570 O PHE A 40 3.456 -12.901 7.594 1.00 0.00 O ATOM 571 CB PHE A 40 1.645 -14.701 6.157 1.00 0.00 C ATOM 572 CG PHE A 40 1.197 -15.820 5.261 1.00 0.00 C ATOM 573 CD1 PHE A 40 0.303 -16.775 5.718 1.00 0.00 C ATOM 574 CD2 PHE A 40 1.668 -15.917 3.962 1.00 0.00 C ATOM 575 CE1 PHE A 40 -0.111 -17.806 4.895 1.00 0.00 C ATOM 576 CE2 PHE A 40 1.258 -16.945 3.135 1.00 0.00 C ATOM 577 CZ PHE A 40 0.366 -17.891 3.602 1.00 0.00 C ATOM 0 H PHE A 40 1.225 -16.016 8.464 1.00 0.00 H new ATOM 0 HA PHE A 40 3.561 -15.498 6.718 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.774 -14.274 6.655 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.083 -13.911 5.547 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.074 -16.713 6.728 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.365 -15.180 3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.807 -18.545 5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.634 -17.009 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 40 0.043 -18.695 2.957 1.00 0.00 H new ATOM 587 N ILE A 41 2.888 -14.114 9.402 1.00 0.00 N ATOM 588 CA ILE A 41 3.214 -13.055 10.350 1.00 0.00 C ATOM 589 C ILE A 41 4.723 -12.906 10.511 1.00 0.00 C ATOM 590 O ILE A 41 5.320 -11.958 10.003 1.00 0.00 O ATOM 591 CB ILE A 41 2.585 -13.323 11.730 1.00 0.00 C ATOM 592 CG1 ILE A 41 1.062 -13.405 11.614 1.00 0.00 C ATOM 593 CG2 ILE A 41 2.989 -12.236 12.716 1.00 0.00 C ATOM 594 CD1 ILE A 41 0.484 -12.471 10.573 1.00 0.00 C ATOM 0 H ILE A 41 2.542 -14.973 9.831 1.00 0.00 H new ATOM 0 HA ILE A 41 2.802 -12.131 9.945 1.00 0.00 H new ATOM 0 HB ILE A 41 2.954 -14.279 12.101 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.779 -14.429 11.369 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.619 -13.175 12.583 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.537 -12.439 13.687 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.074 -12.222 12.817 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.646 -11.268 12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.600 -12.583 10.546 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.736 -11.442 10.828 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.899 -12.715 9.595 1.00 0.00 H new ATOM 606 N GLN A 42 5.333 -13.850 11.220 1.00 0.00 N ATOM 607 CA GLN A 42 6.773 -13.824 11.447 1.00 0.00 C ATOM 608 C GLN A 42 7.493 -14.763 10.484 1.00 0.00 C ATOM 609 O GLN A 42 7.099 -15.917 10.314 1.00 0.00 O ATOM 610 CB GLN A 42 7.090 -14.215 12.891 1.00 0.00 C ATOM 611 CG GLN A 42 6.420 -13.324 13.924 1.00 0.00 C ATOM 612 CD GLN A 42 6.104 -14.059 15.212 1.00 0.00 C ATOM 613 OE1 GLN A 42 5.020 -14.620 15.371 1.00 0.00 O ATOM 614 NE2 GLN A 42 7.053 -14.059 16.141 1.00 0.00 N ATOM 0 H GLN A 42 4.853 -14.642 11.647 1.00 0.00 H new ATOM 0 HA GLN A 42 7.125 -12.808 11.267 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.778 -15.246 13.056 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.169 -14.181 13.039 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.070 -12.477 14.144 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.498 -12.919 13.506 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.937 -13.581 15.967 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.898 -14.537 17.029 1.00 0.00 H new ATOM 623 N LEU A 43 8.549 -14.260 9.854 1.00 0.00 N ATOM 624 CA LEU A 43 9.324 -15.053 8.907 1.00 0.00 C ATOM 625 C LEU A 43 10.476 -15.766 9.608 1.00 0.00 C ATOM 626 O LEU A 43 10.931 -15.360 10.678 1.00 0.00 O ATOM 627 CB LEU A 43 9.867 -14.161 7.789 1.00 0.00 C ATOM 628 CG LEU A 43 8.950 -13.965 6.581 1.00 0.00 C ATOM 629 CD1 LEU A 43 9.498 -12.882 5.665 1.00 0.00 C ATOM 630 CD2 LEU A 43 8.780 -15.273 5.822 1.00 0.00 C ATOM 0 H LEU A 43 8.888 -13.307 9.982 1.00 0.00 H new ATOM 0 HA LEU A 43 8.664 -15.805 8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.093 -13.182 8.211 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.809 -14.583 7.440 1.00 0.00 H new ATOM 0 HG LEU A 43 7.971 -13.647 6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.832 -12.757 4.811 1.00 0.00 H new ATOM 0 HD12 LEU A 43 9.566 -11.942 6.213 1.00 0.00 H new ATOM 0 HD13 LEU A 43 10.489 -13.170 5.313 1.00 0.00 H new ATOM 0 HD21 LEU A 43 8.124 -15.114 4.966 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.753 -15.621 5.475 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.341 -16.022 6.481 1.00 0.00 H new ATOM 642 N PRO A 44 10.961 -16.854 8.992 1.00 0.00 N ATOM 643 CA PRO A 44 12.067 -17.646 9.538 1.00 0.00 C ATOM 644 C PRO A 44 13.397 -16.901 9.481 1.00 0.00 C ATOM 645 O PRO A 44 13.802 -16.416 8.425 1.00 0.00 O ATOM 646 CB PRO A 44 12.105 -18.877 8.630 1.00 0.00 C ATOM 647 CG PRO A 44 11.505 -18.419 7.345 1.00 0.00 C ATOM 648 CD PRO A 44 10.467 -17.396 7.715 1.00 0.00 C ATOM 0 HA PRO A 44 11.918 -17.881 10.592 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.126 -19.231 8.486 1.00 0.00 H new ATOM 0 HB3 PRO A 44 11.538 -19.703 9.059 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.263 -17.987 6.692 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.056 -19.253 6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.380 -16.619 6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.480 -17.846 7.825 1.00 0.00 H new ATOM 656 N SER A 45 14.071 -16.813 10.623 1.00 0.00 N ATOM 657 CA SER A 45 15.353 -16.124 10.703 1.00 0.00 C ATOM 658 C SER A 45 16.368 -16.752 9.752 1.00 0.00 C ATOM 659 O SER A 45 16.216 -17.900 9.336 1.00 0.00 O ATOM 660 CB SER A 45 15.888 -16.162 12.136 1.00 0.00 C ATOM 661 OG SER A 45 16.810 -15.110 12.364 1.00 0.00 O ATOM 0 H SER A 45 13.750 -17.211 11.506 1.00 0.00 H new ATOM 0 HA SER A 45 15.199 -15.086 10.408 1.00 0.00 H new ATOM 0 HB2 SER A 45 15.059 -16.082 12.839 1.00 0.00 H new ATOM 0 HB3 SER A 45 16.372 -17.121 12.322 1.00 0.00 H new ATOM 0 HG SER A 45 17.136 -15.155 13.287 1.00 0.00 H new ATOM 667 N ARG A 46 17.402 -15.989 9.413 1.00 0.00 N ATOM 668 CA ARG A 46 18.441 -16.469 8.510 1.00 0.00 C ATOM 669 C ARG A 46 19.229 -17.611 9.147 1.00 0.00 C ATOM 670 O ARG A 46 19.451 -18.649 8.524 1.00 0.00 O ATOM 671 CB ARG A 46 19.389 -15.328 8.136 1.00 0.00 C ATOM 672 CG ARG A 46 20.208 -15.601 6.886 1.00 0.00 C ATOM 673 CD ARG A 46 20.887 -14.339 6.377 1.00 0.00 C ATOM 674 NE ARG A 46 21.994 -13.929 7.236 1.00 0.00 N ATOM 675 CZ ARG A 46 22.548 -12.722 7.196 1.00 0.00 C ATOM 676 NH1 ARG A 46 22.098 -11.811 6.343 1.00 0.00 N ATOM 677 NH2 ARG A 46 23.552 -12.424 8.009 1.00 0.00 N ATOM 0 H ARG A 46 17.542 -15.037 9.750 1.00 0.00 H new ATOM 0 HA ARG A 46 17.958 -16.842 7.607 1.00 0.00 H new ATOM 0 HB2 ARG A 46 18.808 -14.418 7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 46 20.066 -15.141 8.970 1.00 0.00 H new ATOM 0 HG2 ARG A 46 20.961 -16.359 7.102 1.00 0.00 H new ATOM 0 HG3 ARG A 46 19.562 -16.007 6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 46 21.257 -14.509 5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 46 20.156 -13.533 6.318 1.00 0.00 H new ATOM 0 HE ARG A 46 22.362 -14.606 7.904 1.00 0.00 H new ATOM 0 HH11 ARG A 46 21.325 -12.037 5.716 1.00 0.00 H new ATOM 0 HH12 ARG A 46 22.525 -10.885 6.314 1.00 0.00 H new ATOM 0 HH21 ARG A 46 23.900 -13.122 8.666 1.00 0.00 H new ATOM 0 HH22 ARG A 46 23.976 -11.497 7.977 1.00 0.00 H new ATOM 691 N LYS A 47 19.650 -17.410 10.391 1.00 0.00 N ATOM 692 CA LYS A 47 20.413 -18.421 11.113 1.00 0.00 C ATOM 693 C LYS A 47 19.652 -19.742 11.166 1.00 0.00 C ATOM 694 O LYS A 47 20.234 -20.811 10.987 1.00 0.00 O ATOM 695 CB LYS A 47 20.720 -17.941 12.533 1.00 0.00 C ATOM 696 CG LYS A 47 21.494 -18.950 13.363 1.00 0.00 C ATOM 697 CD LYS A 47 20.566 -19.940 14.046 1.00 0.00 C ATOM 698 CE LYS A 47 21.275 -20.690 15.163 1.00 0.00 C ATOM 699 NZ LYS A 47 22.123 -21.796 14.638 1.00 0.00 N ATOM 0 H LYS A 47 19.476 -16.556 10.920 1.00 0.00 H new ATOM 0 HA LYS A 47 21.350 -18.582 10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.291 -17.014 12.479 1.00 0.00 H new ATOM 0 HB3 LYS A 47 19.783 -17.709 13.039 1.00 0.00 H new ATOM 0 HG2 LYS A 47 22.194 -19.488 12.724 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.086 -18.427 14.114 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.704 -19.411 14.452 1.00 0.00 H new ATOM 0 HD3 LYS A 47 20.187 -20.651 13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 47 21.895 -19.995 15.730 1.00 0.00 H new ATOM 0 HE3 LYS A 47 20.536 -21.096 15.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 22.589 -22.282 15.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 21.528 -22.473 14.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 22.845 -21.407 13.998 1.00 0.00 H new ATOM 713 N GLU A 48 18.348 -19.659 11.411 1.00 0.00 N ATOM 714 CA GLU A 48 17.508 -20.849 11.486 1.00 0.00 C ATOM 715 C GLU A 48 17.322 -21.471 10.105 1.00 0.00 C ATOM 716 O GLU A 48 17.631 -22.645 9.893 1.00 0.00 O ATOM 717 CB GLU A 48 16.146 -20.502 12.089 1.00 0.00 C ATOM 718 CG GLU A 48 16.235 -19.849 13.458 1.00 0.00 C ATOM 719 CD GLU A 48 14.889 -19.761 14.151 1.00 0.00 C ATOM 720 OE1 GLU A 48 14.095 -18.865 13.794 1.00 0.00 O ATOM 721 OE2 GLU A 48 14.629 -20.588 15.051 1.00 0.00 O ATOM 0 H GLU A 48 17.851 -18.781 11.561 1.00 0.00 H new ATOM 0 HA GLU A 48 18.007 -21.575 12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 48 15.617 -19.833 11.410 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.551 -21.412 12.168 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.925 -20.416 14.083 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.651 -18.847 13.352 1.00 0.00 H new ATOM 728 N LEU A 49 16.813 -20.678 9.169 1.00 0.00 N ATOM 729 CA LEU A 49 16.585 -21.149 7.807 1.00 0.00 C ATOM 730 C LEU A 49 17.109 -20.144 6.787 1.00 0.00 C ATOM 731 O LEU A 49 16.359 -19.347 6.223 1.00 0.00 O ATOM 732 CB LEU A 49 15.093 -21.397 7.577 1.00 0.00 C ATOM 733 CG LEU A 49 14.709 -21.954 6.205 1.00 0.00 C ATOM 734 CD1 LEU A 49 15.357 -23.311 5.980 1.00 0.00 C ATOM 735 CD2 LEU A 49 13.196 -22.055 6.075 1.00 0.00 C ATOM 0 H LEU A 49 16.550 -19.705 9.328 1.00 0.00 H new ATOM 0 HA LEU A 49 17.128 -22.085 7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 49 14.738 -22.089 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.561 -20.457 7.727 1.00 0.00 H new ATOM 0 HG LEU A 49 15.074 -21.269 5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.073 -23.692 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.441 -23.209 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 49 15.022 -24.006 6.750 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.941 -22.453 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.808 -22.719 6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 49 12.754 -21.065 6.191 1.00 0.00 H new ATOM 747 N PRO A 50 18.427 -20.181 6.543 1.00 0.00 N ATOM 748 CA PRO A 50 19.081 -19.281 5.588 1.00 0.00 C ATOM 749 C PRO A 50 18.705 -19.597 4.144 1.00 0.00 C ATOM 750 O PRO A 50 18.604 -18.698 3.309 1.00 0.00 O ATOM 751 CB PRO A 50 20.571 -19.539 5.820 1.00 0.00 C ATOM 752 CG PRO A 50 20.635 -20.922 6.370 1.00 0.00 C ATOM 753 CD PRO A 50 19.381 -21.104 7.180 1.00 0.00 C ATOM 0 HA PRO A 50 18.786 -18.243 5.739 1.00 0.00 H new ATOM 0 HB2 PRO A 50 21.136 -19.456 4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 50 20.994 -18.816 6.517 1.00 0.00 H new ATOM 0 HG2 PRO A 50 20.692 -21.658 5.568 1.00 0.00 H new ATOM 0 HG3 PRO A 50 21.522 -21.055 6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 50 19.027 -22.134 7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 50 19.541 -20.856 8.229 1.00 0.00 H new ATOM 761 N GLU A 51 18.498 -20.878 3.857 1.00 0.00 N ATOM 762 CA GLU A 51 18.133 -21.311 2.513 1.00 0.00 C ATOM 763 C GLU A 51 16.966 -20.488 1.975 1.00 0.00 C ATOM 764 O GLU A 51 16.907 -20.179 0.784 1.00 0.00 O ATOM 765 CB GLU A 51 17.767 -22.796 2.513 1.00 0.00 C ATOM 766 CG GLU A 51 16.295 -23.060 2.785 1.00 0.00 C ATOM 767 CD GLU A 51 15.989 -24.536 2.957 1.00 0.00 C ATOM 768 OE1 GLU A 51 16.752 -25.220 3.671 1.00 0.00 O ATOM 769 OE2 GLU A 51 14.988 -25.006 2.379 1.00 0.00 O ATOM 0 H GLU A 51 18.577 -21.634 4.537 1.00 0.00 H new ATOM 0 HA GLU A 51 18.994 -21.157 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.032 -23.227 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.365 -23.309 3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 51 15.994 -22.523 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.700 -22.663 1.962 1.00 0.00 H new ATOM 776 N TYR A 52 16.040 -20.137 2.860 1.00 0.00 N ATOM 777 CA TYR A 52 14.872 -19.353 2.474 1.00 0.00 C ATOM 778 C TYR A 52 15.290 -18.010 1.881 1.00 0.00 C ATOM 779 O TYR A 52 14.672 -17.517 0.938 1.00 0.00 O ATOM 780 CB TYR A 52 13.961 -19.128 3.682 1.00 0.00 C ATOM 781 CG TYR A 52 12.824 -18.168 3.412 1.00 0.00 C ATOM 782 CD1 TYR A 52 11.728 -18.555 2.652 1.00 0.00 C ATOM 783 CD2 TYR A 52 12.847 -16.875 3.919 1.00 0.00 C ATOM 784 CE1 TYR A 52 10.687 -17.681 2.403 1.00 0.00 C ATOM 785 CE2 TYR A 52 11.810 -15.995 3.677 1.00 0.00 C ATOM 786 CZ TYR A 52 10.733 -16.402 2.917 1.00 0.00 C ATOM 787 OH TYR A 52 9.698 -15.529 2.672 1.00 0.00 O ATOM 0 H TYR A 52 16.075 -20.383 3.849 1.00 0.00 H new ATOM 0 HA TYR A 52 14.325 -19.912 1.714 1.00 0.00 H new ATOM 0 HB2 TYR A 52 13.549 -20.086 3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 52 14.558 -18.747 4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.689 -19.556 2.249 1.00 0.00 H new ATOM 0 HD2 TYR A 52 13.690 -16.552 4.512 1.00 0.00 H new ATOM 0 HE1 TYR A 52 9.842 -17.998 1.809 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.842 -14.994 4.081 1.00 0.00 H new ATOM 0 HH TYR A 52 9.885 -14.670 3.106 1.00 0.00 H new ATOM 797 N TYR A 53 16.343 -17.426 2.441 1.00 0.00 N ATOM 798 CA TYR A 53 16.843 -16.140 1.970 1.00 0.00 C ATOM 799 C TYR A 53 17.582 -16.295 0.645 1.00 0.00 C ATOM 800 O TYR A 53 17.813 -15.318 -0.067 1.00 0.00 O ATOM 801 CB TYR A 53 17.771 -15.516 3.015 1.00 0.00 C ATOM 802 CG TYR A 53 17.040 -14.929 4.201 1.00 0.00 C ATOM 803 CD1 TYR A 53 16.493 -15.749 5.180 1.00 0.00 C ATOM 804 CD2 TYR A 53 16.897 -13.554 4.342 1.00 0.00 C ATOM 805 CE1 TYR A 53 15.824 -15.217 6.265 1.00 0.00 C ATOM 806 CE2 TYR A 53 16.230 -13.013 5.425 1.00 0.00 C ATOM 807 CZ TYR A 53 15.695 -13.848 6.383 1.00 0.00 C ATOM 808 OH TYR A 53 15.030 -13.314 7.463 1.00 0.00 O ATOM 0 H TYR A 53 16.867 -17.822 3.221 1.00 0.00 H new ATOM 0 HA TYR A 53 15.988 -15.482 1.813 1.00 0.00 H new ATOM 0 HB2 TYR A 53 18.469 -16.275 3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 53 18.364 -14.734 2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 53 16.593 -16.821 5.091 1.00 0.00 H new ATOM 0 HD2 TYR A 53 17.314 -12.897 3.593 1.00 0.00 H new ATOM 0 HE1 TYR A 53 15.404 -15.869 7.017 1.00 0.00 H new ATOM 0 HE2 TYR A 53 16.128 -11.942 5.520 1.00 0.00 H new ATOM 0 HH TYR A 53 15.029 -12.336 7.396 1.00 0.00 H new ATOM 818 N GLU A 54 17.950 -17.531 0.321 1.00 0.00 N ATOM 819 CA GLU A 54 18.663 -17.814 -0.919 1.00 0.00 C ATOM 820 C GLU A 54 17.722 -17.738 -2.117 1.00 0.00 C ATOM 821 O GLU A 54 17.982 -17.015 -3.080 1.00 0.00 O ATOM 822 CB GLU A 54 19.313 -19.198 -0.854 1.00 0.00 C ATOM 823 CG GLU A 54 20.244 -19.378 0.334 1.00 0.00 C ATOM 824 CD GLU A 54 21.044 -20.665 0.258 1.00 0.00 C ATOM 825 OE1 GLU A 54 20.565 -21.625 -0.380 1.00 0.00 O ATOM 826 OE2 GLU A 54 22.149 -20.710 0.838 1.00 0.00 O ATOM 0 H GLU A 54 17.766 -18.351 0.899 1.00 0.00 H new ATOM 0 HA GLU A 54 19.441 -17.060 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.531 -19.956 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.873 -19.371 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.929 -18.531 0.386 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.659 -19.372 1.254 1.00 0.00 H new ATOM 833 N LEU A 55 16.629 -18.489 -2.052 1.00 0.00 N ATOM 834 CA LEU A 55 15.648 -18.508 -3.132 1.00 0.00 C ATOM 835 C LEU A 55 14.827 -17.222 -3.144 1.00 0.00 C ATOM 836 O LEU A 55 14.636 -16.606 -4.193 1.00 0.00 O ATOM 837 CB LEU A 55 14.722 -19.717 -2.985 1.00 0.00 C ATOM 838 CG LEU A 55 14.516 -20.235 -1.561 1.00 0.00 C ATOM 839 CD1 LEU A 55 13.108 -20.786 -1.393 1.00 0.00 C ATOM 840 CD2 LEU A 55 15.551 -21.299 -1.226 1.00 0.00 C ATOM 0 H LEU A 55 16.399 -19.093 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 55 16.186 -18.583 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 55 13.748 -19.456 -3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 55 15.120 -20.530 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 55 14.643 -19.402 -0.869 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.979 -21.150 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.382 -19.997 -1.591 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.952 -21.606 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 55 15.389 -21.656 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 55 15.455 -22.132 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.551 -20.872 -1.306 1.00 0.00 H new ATOM 852 N ILE A 56 14.345 -16.823 -1.972 1.00 0.00 N ATOM 853 CA ILE A 56 13.547 -15.609 -1.848 1.00 0.00 C ATOM 854 C ILE A 56 14.390 -14.368 -2.119 1.00 0.00 C ATOM 855 O ILE A 56 15.609 -14.384 -1.951 1.00 0.00 O ATOM 856 CB ILE A 56 12.915 -15.492 -0.448 1.00 0.00 C ATOM 857 CG1 ILE A 56 11.970 -16.667 -0.190 1.00 0.00 C ATOM 858 CG2 ILE A 56 12.175 -14.169 -0.311 1.00 0.00 C ATOM 859 CD1 ILE A 56 11.250 -17.146 -1.431 1.00 0.00 C ATOM 0 H ILE A 56 14.493 -17.322 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 56 12.753 -15.675 -2.592 1.00 0.00 H new ATOM 0 HB ILE A 56 13.710 -15.521 0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.539 -17.495 0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.233 -16.373 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.734 -14.100 0.683 1.00 0.00 H new ATOM 0 HG22 ILE A 56 12.873 -13.345 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.387 -14.113 -1.062 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.597 -17.980 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.653 -16.332 -1.842 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.980 -17.471 -2.172 1.00 0.00 H new ATOM 871 N ARG A 57 13.731 -13.293 -2.539 1.00 0.00 N ATOM 872 CA ARG A 57 14.419 -12.042 -2.833 1.00 0.00 C ATOM 873 C ARG A 57 14.020 -10.955 -1.839 1.00 0.00 C ATOM 874 O ARG A 57 14.869 -10.228 -1.322 1.00 0.00 O ATOM 875 CB ARG A 57 14.105 -11.585 -4.259 1.00 0.00 C ATOM 876 CG ARG A 57 12.729 -12.010 -4.745 1.00 0.00 C ATOM 877 CD ARG A 57 12.761 -13.398 -5.365 1.00 0.00 C ATOM 878 NE ARG A 57 11.552 -13.683 -6.133 1.00 0.00 N ATOM 879 CZ ARG A 57 11.211 -14.900 -6.540 1.00 0.00 C ATOM 880 NH1 ARG A 57 11.982 -15.940 -6.254 1.00 0.00 N ATOM 881 NH2 ARG A 57 10.095 -15.079 -7.235 1.00 0.00 N ATOM 0 H ARG A 57 12.722 -13.263 -2.683 1.00 0.00 H new ATOM 0 HA ARG A 57 15.491 -12.216 -2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 57 14.179 -10.499 -4.308 1.00 0.00 H new ATOM 0 HB3 ARG A 57 14.860 -11.987 -4.935 1.00 0.00 H new ATOM 0 HG2 ARG A 57 12.028 -11.999 -3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 57 12.363 -11.291 -5.478 1.00 0.00 H new ATOM 0 HD2 ARG A 57 13.632 -13.485 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 57 12.875 -14.144 -4.578 1.00 0.00 H new ATOM 0 HE ARG A 57 10.936 -12.905 -6.370 1.00 0.00 H new ATOM 0 HH11 ARG A 57 12.840 -15.807 -5.720 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.717 -16.873 -6.568 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.499 -14.282 -7.457 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.833 -16.014 -7.548 1.00 0.00 H new ATOM 895 N LYS A 58 12.722 -10.848 -1.577 1.00 0.00 N ATOM 896 CA LYS A 58 12.208 -9.851 -0.646 1.00 0.00 C ATOM 897 C LYS A 58 11.326 -10.501 0.415 1.00 0.00 C ATOM 898 O LYS A 58 10.098 -10.501 0.321 1.00 0.00 O ATOM 899 CB LYS A 58 11.415 -8.780 -1.398 1.00 0.00 C ATOM 900 CG LYS A 58 12.285 -7.835 -2.208 1.00 0.00 C ATOM 901 CD LYS A 58 11.450 -6.799 -2.942 1.00 0.00 C ATOM 902 CE LYS A 58 10.976 -7.318 -4.291 1.00 0.00 C ATOM 903 NZ LYS A 58 12.086 -7.377 -5.283 1.00 0.00 N ATOM 0 H LYS A 58 12.006 -11.441 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 58 13.058 -9.382 -0.150 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.704 -9.268 -2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.833 -8.200 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.991 -7.332 -1.547 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.872 -8.406 -2.927 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.588 -6.527 -2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.038 -5.892 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.546 -8.312 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.184 -6.673 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.691 -7.469 -6.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.651 -6.506 -5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.692 -8.197 -5.078 1.00 0.00 H new ATOM 917 N PRO A 59 11.964 -11.067 1.451 1.00 0.00 N ATOM 918 CA PRO A 59 11.255 -11.729 2.550 1.00 0.00 C ATOM 919 C PRO A 59 10.498 -10.741 3.431 1.00 0.00 C ATOM 920 O PRO A 59 10.992 -10.322 4.478 1.00 0.00 O ATOM 921 CB PRO A 59 12.380 -12.399 3.344 1.00 0.00 C ATOM 922 CG PRO A 59 13.592 -11.588 3.042 1.00 0.00 C ATOM 923 CD PRO A 59 13.425 -11.104 1.628 1.00 0.00 C ATOM 0 HA PRO A 59 10.498 -12.424 2.186 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.163 -12.403 4.412 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.513 -13.438 3.042 1.00 0.00 H new ATOM 0 HG2 PRO A 59 13.683 -10.750 3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.497 -12.186 3.145 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.872 -10.120 1.484 1.00 0.00 H new ATOM 0 HD3 PRO A 59 13.899 -11.777 0.914 1.00 0.00 H new ATOM 931 N VAL A 60 9.296 -10.371 2.999 1.00 0.00 N ATOM 932 CA VAL A 60 8.470 -9.433 3.749 1.00 0.00 C ATOM 933 C VAL A 60 7.386 -10.162 4.535 1.00 0.00 C ATOM 934 O VAL A 60 7.040 -11.302 4.225 1.00 0.00 O ATOM 935 CB VAL A 60 7.807 -8.400 2.818 1.00 0.00 C ATOM 936 CG1 VAL A 60 6.791 -9.075 1.910 1.00 0.00 C ATOM 937 CG2 VAL A 60 7.155 -7.292 3.631 1.00 0.00 C ATOM 0 H VAL A 60 8.873 -10.707 2.134 1.00 0.00 H new ATOM 0 HA VAL A 60 9.131 -8.914 4.443 1.00 0.00 H new ATOM 0 HB VAL A 60 8.578 -7.953 2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.333 -8.330 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.291 -9.829 1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.020 -9.550 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.692 -6.571 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.394 -7.719 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.911 -6.790 4.235 1.00 0.00 H new ATOM 947 N ASP A 61 6.853 -9.496 5.554 1.00 0.00 N ATOM 948 CA ASP A 61 5.806 -10.080 6.385 1.00 0.00 C ATOM 949 C ASP A 61 4.590 -9.162 6.450 1.00 0.00 C ATOM 950 O ASP A 61 4.541 -8.129 5.781 1.00 0.00 O ATOM 951 CB ASP A 61 6.334 -10.349 7.794 1.00 0.00 C ATOM 952 CG ASP A 61 6.934 -11.734 7.933 1.00 0.00 C ATOM 953 OD1 ASP A 61 6.182 -12.722 7.801 1.00 0.00 O ATOM 954 OD2 ASP A 61 8.156 -11.831 8.175 1.00 0.00 O ATOM 0 H ASP A 61 7.129 -8.552 5.824 1.00 0.00 H new ATOM 0 HA ASP A 61 5.502 -11.025 5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.088 -9.603 8.045 1.00 0.00 H new ATOM 0 HB3 ASP A 61 5.521 -10.235 8.511 1.00 0.00 H new ATOM 959 N PHE A 62 3.608 -9.545 7.260 1.00 0.00 N ATOM 960 CA PHE A 62 2.390 -8.758 7.412 1.00 0.00 C ATOM 961 C PHE A 62 2.605 -7.607 8.391 1.00 0.00 C ATOM 962 O PHE A 62 1.836 -6.646 8.416 1.00 0.00 O ATOM 963 CB PHE A 62 1.241 -9.645 7.895 1.00 0.00 C ATOM 964 CG PHE A 62 0.452 -10.265 6.777 1.00 0.00 C ATOM 965 CD1 PHE A 62 -0.036 -9.486 5.741 1.00 0.00 C ATOM 966 CD2 PHE A 62 0.199 -11.627 6.763 1.00 0.00 C ATOM 967 CE1 PHE A 62 -0.763 -10.054 4.711 1.00 0.00 C ATOM 968 CE2 PHE A 62 -0.527 -12.201 5.736 1.00 0.00 C ATOM 969 CZ PHE A 62 -1.008 -11.414 4.709 1.00 0.00 C ATOM 0 H PHE A 62 3.632 -10.396 7.821 1.00 0.00 H new ATOM 0 HA PHE A 62 2.133 -8.341 6.438 1.00 0.00 H new ATOM 0 HB2 PHE A 62 1.644 -10.436 8.527 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.571 -9.051 8.516 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.153 -8.423 5.738 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.573 -12.248 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.139 -9.436 3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -0.718 -13.264 5.737 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.575 -11.860 3.905 1.00 0.00 H new ATOM 979 N LYS A 63 3.656 -7.712 9.197 1.00 0.00 N ATOM 980 CA LYS A 63 3.975 -6.682 10.178 1.00 0.00 C ATOM 981 C LYS A 63 4.745 -5.535 9.531 1.00 0.00 C ATOM 982 O LYS A 63 4.622 -4.381 9.942 1.00 0.00 O ATOM 983 CB LYS A 63 4.794 -7.277 11.325 1.00 0.00 C ATOM 984 CG LYS A 63 4.374 -8.687 11.704 1.00 0.00 C ATOM 985 CD LYS A 63 4.872 -9.063 13.090 1.00 0.00 C ATOM 986 CE LYS A 63 6.362 -9.365 13.084 1.00 0.00 C ATOM 987 NZ LYS A 63 6.682 -10.563 12.258 1.00 0.00 N ATOM 0 H LYS A 63 4.302 -8.501 9.190 1.00 0.00 H new ATOM 0 HA LYS A 63 3.038 -6.290 10.574 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.847 -7.284 11.043 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.702 -6.632 12.199 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.287 -8.765 11.673 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.765 -9.393 10.972 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.668 -8.248 13.785 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.325 -9.934 13.451 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.906 -8.502 12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.704 -9.527 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.513 -11.046 12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.870 -11.213 12.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.886 -10.267 11.282 1.00 0.00 H new ATOM 1001 N LYS A 64 5.540 -5.860 8.517 1.00 0.00 N ATOM 1002 CA LYS A 64 6.329 -4.857 7.811 1.00 0.00 C ATOM 1003 C LYS A 64 5.434 -3.956 6.966 1.00 0.00 C ATOM 1004 O LYS A 64 5.545 -2.731 7.017 1.00 0.00 O ATOM 1005 CB LYS A 64 7.374 -5.534 6.921 1.00 0.00 C ATOM 1006 CG LYS A 64 8.656 -5.891 7.653 1.00 0.00 C ATOM 1007 CD LYS A 64 9.448 -4.649 8.030 1.00 0.00 C ATOM 1008 CE LYS A 64 10.945 -4.917 8.014 1.00 0.00 C ATOM 1009 NZ LYS A 64 11.550 -4.608 6.689 1.00 0.00 N ATOM 0 H LYS A 64 5.655 -6.811 8.166 1.00 0.00 H new ATOM 0 HA LYS A 64 6.837 -4.242 8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.944 -6.441 6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.613 -4.873 6.088 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.416 -6.458 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.268 -6.537 7.023 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.214 -3.842 7.335 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.148 -4.312 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 64 11.430 -4.316 8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.129 -5.962 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.571 -4.804 6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.106 -5.199 5.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 11.397 -3.605 6.463 1.00 0.00 H new ATOM 1023 N ILE A 65 4.546 -4.571 6.191 1.00 0.00 N ATOM 1024 CA ILE A 65 3.631 -3.824 5.338 1.00 0.00 C ATOM 1025 C ILE A 65 2.994 -2.664 6.097 1.00 0.00 C ATOM 1026 O ILE A 65 2.950 -1.536 5.606 1.00 0.00 O ATOM 1027 CB ILE A 65 2.517 -4.729 4.778 1.00 0.00 C ATOM 1028 CG1 ILE A 65 3.120 -5.855 3.936 1.00 0.00 C ATOM 1029 CG2 ILE A 65 1.535 -3.911 3.954 1.00 0.00 C ATOM 1030 CD1 ILE A 65 2.178 -7.018 3.719 1.00 0.00 C ATOM 0 H ILE A 65 4.441 -5.584 6.137 1.00 0.00 H new ATOM 0 HA ILE A 65 4.221 -3.433 4.509 1.00 0.00 H new ATOM 0 HB ILE A 65 1.977 -5.175 5.613 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.418 -5.454 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.025 -6.217 4.423 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.754 -4.564 3.565 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.086 -3.142 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.061 -3.440 3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.672 -7.778 3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.899 -7.445 4.682 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.283 -6.670 3.204 1.00 0.00 H new ATOM 1042 N LYS A 66 2.504 -2.949 7.298 1.00 0.00 N ATOM 1043 CA LYS A 66 1.872 -1.930 8.129 1.00 0.00 C ATOM 1044 C LYS A 66 2.897 -0.908 8.610 1.00 0.00 C ATOM 1045 O LYS A 66 2.662 0.298 8.542 1.00 0.00 O ATOM 1046 CB LYS A 66 1.180 -2.579 9.330 1.00 0.00 C ATOM 1047 CG LYS A 66 -0.032 -3.414 8.956 1.00 0.00 C ATOM 1048 CD LYS A 66 -0.618 -4.120 10.167 1.00 0.00 C ATOM 1049 CE LYS A 66 0.207 -5.336 10.556 1.00 0.00 C ATOM 1050 NZ LYS A 66 -0.290 -5.966 11.810 1.00 0.00 N ATOM 0 H LYS A 66 2.532 -3.878 7.719 1.00 0.00 H new ATOM 0 HA LYS A 66 1.127 -1.414 7.524 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.897 -3.210 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.872 -1.799 10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.790 -2.774 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.251 -4.152 8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.664 -3.427 11.007 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.641 -4.427 9.951 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.180 -6.067 9.747 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.249 -5.042 10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.299 -6.791 12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.241 -5.277 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.276 -6.270 11.679 1.00 0.00 H new ATOM 1064 N GLU A 67 4.034 -1.399 9.094 1.00 0.00 N ATOM 1065 CA GLU A 67 5.094 -0.527 9.585 1.00 0.00 C ATOM 1066 C GLU A 67 5.241 0.704 8.696 1.00 0.00 C ATOM 1067 O GLU A 67 5.683 1.760 9.148 1.00 0.00 O ATOM 1068 CB GLU A 67 6.421 -1.286 9.647 1.00 0.00 C ATOM 1069 CG GLU A 67 7.583 -0.441 10.142 1.00 0.00 C ATOM 1070 CD GLU A 67 8.894 -1.202 10.156 1.00 0.00 C ATOM 1071 OE1 GLU A 67 9.223 -1.837 9.132 1.00 0.00 O ATOM 1072 OE2 GLU A 67 9.591 -1.163 11.191 1.00 0.00 O ATOM 0 H GLU A 67 4.244 -2.395 9.156 1.00 0.00 H new ATOM 0 HA GLU A 67 4.824 -0.199 10.589 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.306 -2.150 10.302 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.658 -1.668 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.685 0.438 9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.364 -0.083 11.148 1.00 0.00 H new ATOM 1079 N ARG A 68 4.867 0.560 7.429 1.00 0.00 N ATOM 1080 CA ARG A 68 4.959 1.659 6.475 1.00 0.00 C ATOM 1081 C ARG A 68 3.701 2.522 6.517 1.00 0.00 C ATOM 1082 O ARG A 68 3.779 3.750 6.542 1.00 0.00 O ATOM 1083 CB ARG A 68 5.173 1.119 5.060 1.00 0.00 C ATOM 1084 CG ARG A 68 6.628 0.827 4.733 1.00 0.00 C ATOM 1085 CD ARG A 68 7.046 -0.547 5.232 1.00 0.00 C ATOM 1086 NE ARG A 68 8.497 -0.714 5.226 1.00 0.00 N ATOM 1087 CZ ARG A 68 9.208 -0.927 4.124 1.00 0.00 C ATOM 1088 NH1 ARG A 68 8.605 -1.000 2.946 1.00 0.00 N ATOM 1089 NH2 ARG A 68 10.525 -1.068 4.200 1.00 0.00 N ATOM 0 H ARG A 68 4.497 -0.307 7.039 1.00 0.00 H new ATOM 0 HA ARG A 68 5.813 2.277 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.591 0.205 4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.786 1.842 4.342 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.779 0.885 3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.264 1.588 5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.668 -0.695 6.244 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.590 -1.314 4.606 1.00 0.00 H new ATOM 0 HE ARG A 68 8.992 -0.664 6.117 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.593 -0.893 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.153 -1.164 2.102 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.992 -1.013 5.105 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.070 -1.232 3.354 1.00 0.00 H new ATOM 1103 N ILE A 69 2.543 1.870 6.524 1.00 0.00 N ATOM 1104 CA ILE A 69 1.269 2.577 6.563 1.00 0.00 C ATOM 1105 C ILE A 69 1.254 3.622 7.674 1.00 0.00 C ATOM 1106 O ILE A 69 0.926 4.786 7.441 1.00 0.00 O ATOM 1107 CB ILE A 69 0.092 1.606 6.772 1.00 0.00 C ATOM 1108 CG1 ILE A 69 -0.021 0.645 5.587 1.00 0.00 C ATOM 1109 CG2 ILE A 69 -1.205 2.378 6.961 1.00 0.00 C ATOM 1110 CD1 ILE A 69 -0.825 -0.600 5.893 1.00 0.00 C ATOM 0 H ILE A 69 2.461 0.854 6.503 1.00 0.00 H new ATOM 0 HA ILE A 69 1.154 3.073 5.599 1.00 0.00 H new ATOM 0 HB ILE A 69 0.278 1.022 7.673 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.481 1.168 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.980 0.352 5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.027 1.678 7.107 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.119 3.025 7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.399 2.985 6.077 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.863 -1.235 5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.354 -1.145 6.711 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.838 -0.318 6.181 1.00 0.00 H new ATOM 1122 N ARG A 70 1.614 3.199 8.882 1.00 0.00 N ATOM 1123 CA ARG A 70 1.643 4.099 10.029 1.00 0.00 C ATOM 1124 C ARG A 70 2.799 5.087 9.916 1.00 0.00 C ATOM 1125 O ARG A 70 2.800 6.134 10.562 1.00 0.00 O ATOM 1126 CB ARG A 70 1.766 3.299 11.327 1.00 0.00 C ATOM 1127 CG ARG A 70 2.991 2.401 11.376 1.00 0.00 C ATOM 1128 CD ARG A 70 3.165 1.770 12.749 1.00 0.00 C ATOM 1129 NE ARG A 70 2.211 0.689 12.980 1.00 0.00 N ATOM 1130 CZ ARG A 70 0.976 0.883 13.431 1.00 0.00 C ATOM 1131 NH1 ARG A 70 0.549 2.109 13.698 1.00 0.00 N ATOM 1132 NH2 ARG A 70 0.167 -0.152 13.616 1.00 0.00 N ATOM 0 H ARG A 70 1.889 2.239 9.091 1.00 0.00 H new ATOM 0 HA ARG A 70 0.709 4.661 10.043 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.800 3.991 12.168 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.873 2.687 11.453 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.900 1.618 10.623 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.879 2.981 11.126 1.00 0.00 H new ATOM 0 HD2 ARG A 70 4.180 1.384 12.844 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.041 2.533 13.517 1.00 0.00 H new ATOM 0 HE ARG A 70 2.509 -0.267 12.785 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.169 2.907 13.557 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.399 2.255 14.044 1.00 0.00 H new ATOM 0 HH21 ARG A 70 0.493 -1.097 13.412 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.781 -0.003 13.962 1.00 0.00 H new ATOM 1146 N ASN A 71 3.784 4.746 9.090 1.00 0.00 N ATOM 1147 CA ASN A 71 4.948 5.603 8.893 1.00 0.00 C ATOM 1148 C ASN A 71 4.807 6.426 7.617 1.00 0.00 C ATOM 1149 O ASN A 71 5.741 7.112 7.202 1.00 0.00 O ATOM 1150 CB ASN A 71 6.223 4.760 8.832 1.00 0.00 C ATOM 1151 CG ASN A 71 6.539 4.093 10.157 1.00 0.00 C ATOM 1152 OD1 ASN A 71 5.932 4.403 11.182 1.00 0.00 O ATOM 1153 ND2 ASN A 71 7.494 3.170 10.142 1.00 0.00 N ATOM 0 H ASN A 71 3.799 3.883 8.547 1.00 0.00 H new ATOM 0 HA ASN A 71 5.013 6.287 9.740 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.114 3.997 8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 71 7.060 5.393 8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.750 2.687 11.003 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.971 2.944 9.269 1.00 0.00 H new ATOM 1160 N HIS A 72 3.633 6.352 6.998 1.00 0.00 N ATOM 1161 CA HIS A 72 3.369 7.091 5.768 1.00 0.00 C ATOM 1162 C HIS A 72 4.534 6.956 4.792 1.00 0.00 C ATOM 1163 O HIS A 72 5.038 7.949 4.268 1.00 0.00 O ATOM 1164 CB HIS A 72 3.119 8.567 6.080 1.00 0.00 C ATOM 1165 CG HIS A 72 1.973 8.796 7.016 1.00 0.00 C ATOM 1166 ND1 HIS A 72 0.683 9.022 6.586 1.00 0.00 N ATOM 1167 CD2 HIS A 72 1.928 8.831 8.369 1.00 0.00 C ATOM 1168 CE1 HIS A 72 -0.106 9.188 7.633 1.00 0.00 C ATOM 1169 NE2 HIS A 72 0.625 9.076 8.727 1.00 0.00 N ATOM 0 H HIS A 72 2.850 5.788 7.328 1.00 0.00 H new ATOM 0 HA HIS A 72 2.478 6.669 5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.022 8.996 6.513 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.928 9.099 5.148 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.762 8.692 9.041 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.168 9.382 7.600 1.00 0.00 H new ATOM 0 HE2 HIS A 72 0.278 9.158 9.683 1.00 0.00 H new ATOM 1178 N LYS A 73 4.957 5.719 4.552 1.00 0.00 N ATOM 1179 CA LYS A 73 6.062 5.452 3.639 1.00 0.00 C ATOM 1180 C LYS A 73 5.547 5.158 2.233 1.00 0.00 C ATOM 1181 O LYS A 73 6.244 5.391 1.245 1.00 0.00 O ATOM 1182 CB LYS A 73 6.895 4.273 4.145 1.00 0.00 C ATOM 1183 CG LYS A 73 7.841 4.637 5.277 1.00 0.00 C ATOM 1184 CD LYS A 73 9.195 5.083 4.751 1.00 0.00 C ATOM 1185 CE LYS A 73 9.194 6.561 4.390 1.00 0.00 C ATOM 1186 NZ LYS A 73 10.568 7.134 4.398 1.00 0.00 N ATOM 0 H LYS A 73 4.551 4.886 4.977 1.00 0.00 H new ATOM 0 HA LYS A 73 6.690 6.342 3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.224 3.484 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.474 3.866 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.402 5.434 5.877 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.970 3.778 5.935 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.960 4.892 5.504 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.458 4.493 3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 73 8.751 6.694 3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.569 7.107 5.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.525 8.142 4.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.982 7.030 5.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 11.158 6.630 3.706 1.00 0.00 H new ATOM 1200 N TYR A 74 4.324 4.647 2.152 1.00 0.00 N ATOM 1201 CA TYR A 74 3.716 4.321 0.867 1.00 0.00 C ATOM 1202 C TYR A 74 3.213 5.580 0.166 1.00 0.00 C ATOM 1203 O TYR A 74 2.523 6.404 0.766 1.00 0.00 O ATOM 1204 CB TYR A 74 2.562 3.336 1.060 1.00 0.00 C ATOM 1205 CG TYR A 74 3.014 1.915 1.310 1.00 0.00 C ATOM 1206 CD1 TYR A 74 3.869 1.271 0.424 1.00 0.00 C ATOM 1207 CD2 TYR A 74 2.586 1.216 2.432 1.00 0.00 C ATOM 1208 CE1 TYR A 74 4.284 -0.027 0.647 1.00 0.00 C ATOM 1209 CE2 TYR A 74 2.996 -0.082 2.664 1.00 0.00 C ATOM 1210 CZ TYR A 74 3.845 -0.700 1.769 1.00 0.00 C ATOM 1211 OH TYR A 74 4.257 -1.993 1.996 1.00 0.00 O ATOM 0 H TYR A 74 3.734 4.449 2.960 1.00 0.00 H new ATOM 0 HA TYR A 74 4.479 3.859 0.241 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.950 3.667 1.899 1.00 0.00 H new ATOM 0 HB3 TYR A 74 1.927 3.356 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 74 4.215 1.795 -0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.921 1.696 3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 74 4.948 -0.513 -0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.654 -0.611 3.541 1.00 0.00 H new ATOM 0 HH TYR A 74 4.737 -2.038 2.849 1.00 0.00 H new ATOM 1221 N ARG A 75 3.565 5.720 -1.108 1.00 0.00 N ATOM 1222 CA ARG A 75 3.151 6.878 -1.891 1.00 0.00 C ATOM 1223 C ARG A 75 1.696 6.745 -2.330 1.00 0.00 C ATOM 1224 O ARG A 75 0.951 7.725 -2.350 1.00 0.00 O ATOM 1225 CB ARG A 75 4.052 7.040 -3.117 1.00 0.00 C ATOM 1226 CG ARG A 75 5.515 7.264 -2.772 1.00 0.00 C ATOM 1227 CD ARG A 75 6.404 7.126 -3.998 1.00 0.00 C ATOM 1228 NE ARG A 75 7.803 6.912 -3.639 1.00 0.00 N ATOM 1229 CZ ARG A 75 8.811 7.048 -4.493 1.00 0.00 C ATOM 1230 NH1 ARG A 75 8.576 7.398 -5.750 1.00 0.00 N ATOM 1231 NH2 ARG A 75 10.057 6.836 -4.091 1.00 0.00 N ATOM 0 H ARG A 75 4.135 5.047 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 75 3.243 7.763 -1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.967 6.150 -3.740 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.695 7.881 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.640 8.257 -2.340 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.825 6.545 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 75 6.055 6.292 -4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.320 8.024 -4.609 1.00 0.00 H new ATOM 0 HE ARG A 75 8.018 6.643 -2.679 1.00 0.00 H new ATOM 0 HH11 ARG A 75 7.619 7.563 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 75 9.352 7.502 -6.404 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.242 6.568 -3.124 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.830 6.941 -4.748 1.00 0.00 H new ATOM 1245 N SER A 76 1.298 5.526 -2.681 1.00 0.00 N ATOM 1246 CA SER A 76 -0.067 5.266 -3.124 1.00 0.00 C ATOM 1247 C SER A 76 -0.462 3.820 -2.843 1.00 0.00 C ATOM 1248 O SER A 76 0.390 2.971 -2.575 1.00 0.00 O ATOM 1249 CB SER A 76 -0.206 5.563 -4.619 1.00 0.00 C ATOM 1250 OG SER A 76 -0.206 6.958 -4.863 1.00 0.00 O ATOM 0 H SER A 76 1.901 4.703 -2.667 1.00 0.00 H new ATOM 0 HA SER A 76 -0.735 5.923 -2.567 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.614 5.095 -5.164 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.130 5.125 -4.996 1.00 0.00 H new ATOM 0 HG SER A 76 0.030 7.434 -4.040 1.00 0.00 H new ATOM 1256 N LEU A 77 -1.761 3.546 -2.905 1.00 0.00 N ATOM 1257 CA LEU A 77 -2.272 2.202 -2.657 1.00 0.00 C ATOM 1258 C LEU A 77 -1.622 1.190 -3.595 1.00 0.00 C ATOM 1259 O LEU A 77 -1.254 0.092 -3.181 1.00 0.00 O ATOM 1260 CB LEU A 77 -3.791 2.173 -2.830 1.00 0.00 C ATOM 1261 CG LEU A 77 -4.508 0.944 -2.269 1.00 0.00 C ATOM 1262 CD1 LEU A 77 -4.614 1.034 -0.754 1.00 0.00 C ATOM 1263 CD2 LEU A 77 -5.887 0.799 -2.894 1.00 0.00 C ATOM 0 H LEU A 77 -2.479 4.236 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.024 1.929 -1.631 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.208 3.061 -2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.017 2.246 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.923 0.059 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.127 0.151 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.615 1.088 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.176 1.927 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.382 -0.081 -2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.481 1.686 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.787 0.688 -3.974 1.00 0.00 H new ATOM 1275 N GLY A 78 -1.482 1.570 -4.861 1.00 0.00 N ATOM 1276 CA GLY A 78 -0.874 0.685 -5.838 1.00 0.00 C ATOM 1277 C GLY A 78 0.382 0.019 -5.314 1.00 0.00 C ATOM 1278 O GLY A 78 0.756 -1.063 -5.769 1.00 0.00 O ATOM 0 H GLY A 78 -1.778 2.474 -5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.594 -0.081 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.633 1.252 -6.737 1.00 0.00 H new ATOM 1282 N ASP A 79 1.037 0.665 -4.356 1.00 0.00 N ATOM 1283 CA ASP A 79 2.260 0.128 -3.769 1.00 0.00 C ATOM 1284 C ASP A 79 1.943 -0.991 -2.782 1.00 0.00 C ATOM 1285 O ASP A 79 2.479 -2.095 -2.887 1.00 0.00 O ATOM 1286 CB ASP A 79 3.044 1.238 -3.067 1.00 0.00 C ATOM 1287 CG ASP A 79 4.473 0.834 -2.763 1.00 0.00 C ATOM 1288 OD1 ASP A 79 4.717 -0.372 -2.550 1.00 0.00 O ATOM 1289 OD2 ASP A 79 5.348 1.724 -2.740 1.00 0.00 O ATOM 0 H ASP A 79 0.742 1.561 -3.969 1.00 0.00 H new ATOM 0 HA ASP A 79 2.870 -0.284 -4.573 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.047 2.129 -3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.539 1.504 -2.138 1.00 0.00 H new ATOM 1294 N LEU A 80 1.071 -0.699 -1.824 1.00 0.00 N ATOM 1295 CA LEU A 80 0.683 -1.680 -0.817 1.00 0.00 C ATOM 1296 C LEU A 80 0.522 -3.064 -1.438 1.00 0.00 C ATOM 1297 O LEU A 80 0.981 -4.061 -0.883 1.00 0.00 O ATOM 1298 CB LEU A 80 -0.622 -1.257 -0.140 1.00 0.00 C ATOM 1299 CG LEU A 80 -1.182 -2.226 0.902 1.00 0.00 C ATOM 1300 CD1 LEU A 80 -0.363 -2.166 2.182 1.00 0.00 C ATOM 1301 CD2 LEU A 80 -2.644 -1.916 1.186 1.00 0.00 C ATOM 0 H LEU A 80 0.619 0.210 -1.723 1.00 0.00 H new ATOM 0 HA LEU A 80 1.474 -1.728 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.463 -0.291 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.377 -1.109 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.117 -3.238 0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.777 -2.862 2.912 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.670 -2.438 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.395 -1.155 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.026 -2.615 1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.733 -0.898 1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.222 -2.012 0.267 1.00 0.00 H new ATOM 1313 N GLU A 81 -0.131 -3.115 -2.595 1.00 0.00 N ATOM 1314 CA GLU A 81 -0.351 -4.377 -3.292 1.00 0.00 C ATOM 1315 C GLU A 81 0.969 -5.104 -3.530 1.00 0.00 C ATOM 1316 O GLU A 81 1.173 -6.219 -3.050 1.00 0.00 O ATOM 1317 CB GLU A 81 -1.058 -4.131 -4.627 1.00 0.00 C ATOM 1318 CG GLU A 81 -1.799 -5.348 -5.156 1.00 0.00 C ATOM 1319 CD GLU A 81 -2.380 -5.121 -6.538 1.00 0.00 C ATOM 1320 OE1 GLU A 81 -1.758 -4.381 -7.328 1.00 0.00 O ATOM 1321 OE2 GLU A 81 -3.457 -5.683 -6.829 1.00 0.00 O ATOM 0 H GLU A 81 -0.516 -2.298 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.984 -5.004 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.764 -3.309 -4.509 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.322 -3.815 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.118 -6.198 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.602 -5.608 -4.466 1.00 0.00 H new ATOM 1328 N LYS A 82 1.865 -4.464 -4.275 1.00 0.00 N ATOM 1329 CA LYS A 82 3.166 -5.048 -4.578 1.00 0.00 C ATOM 1330 C LYS A 82 3.692 -5.850 -3.392 1.00 0.00 C ATOM 1331 O LYS A 82 4.257 -6.930 -3.563 1.00 0.00 O ATOM 1332 CB LYS A 82 4.166 -3.950 -4.948 1.00 0.00 C ATOM 1333 CG LYS A 82 3.703 -3.065 -6.092 1.00 0.00 C ATOM 1334 CD LYS A 82 4.865 -2.322 -6.728 1.00 0.00 C ATOM 1335 CE LYS A 82 4.414 -1.508 -7.932 1.00 0.00 C ATOM 1336 NZ LYS A 82 4.446 -2.310 -9.186 1.00 0.00 N ATOM 0 H LYS A 82 1.713 -3.540 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 82 3.045 -5.723 -5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.351 -3.329 -4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.116 -4.411 -5.218 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.204 -3.674 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.969 -2.348 -5.724 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.323 -1.661 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.630 -3.035 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.403 -1.139 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.058 -0.635 -8.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.132 -1.721 -9.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.416 -2.641 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.812 -3.129 -9.091 1.00 0.00 H new ATOM 1350 N ASP A 83 3.500 -5.316 -2.191 1.00 0.00 N ATOM 1351 CA ASP A 83 3.953 -5.984 -0.976 1.00 0.00 C ATOM 1352 C ASP A 83 3.051 -7.168 -0.639 1.00 0.00 C ATOM 1353 O ASP A 83 3.508 -8.309 -0.567 1.00 0.00 O ATOM 1354 CB ASP A 83 3.980 -4.999 0.193 1.00 0.00 C ATOM 1355 CG ASP A 83 4.714 -3.717 -0.147 1.00 0.00 C ATOM 1356 OD1 ASP A 83 4.066 -2.782 -0.664 1.00 0.00 O ATOM 1357 OD2 ASP A 83 5.936 -3.647 0.102 1.00 0.00 O ATOM 0 H ASP A 83 3.034 -4.423 -2.032 1.00 0.00 H new ATOM 0 HA ASP A 83 4.962 -6.357 -1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 83 2.958 -4.762 0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.458 -5.471 1.051 1.00 0.00 H new ATOM 1362 N VAL A 84 1.768 -6.888 -0.431 1.00 0.00 N ATOM 1363 CA VAL A 84 0.802 -7.929 -0.101 1.00 0.00 C ATOM 1364 C VAL A 84 0.990 -9.154 -0.989 1.00 0.00 C ATOM 1365 O VAL A 84 1.215 -10.260 -0.499 1.00 0.00 O ATOM 1366 CB VAL A 84 -0.644 -7.419 -0.247 1.00 0.00 C ATOM 1367 CG1 VAL A 84 -1.625 -8.420 0.344 1.00 0.00 C ATOM 1368 CG2 VAL A 84 -0.797 -6.057 0.414 1.00 0.00 C ATOM 0 H VAL A 84 1.374 -5.949 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 84 0.978 -8.207 0.938 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.868 -7.310 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.642 -8.043 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.532 -9.372 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.406 -8.563 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.825 -5.711 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.555 -6.138 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.121 -5.345 -0.059 1.00 0.00 H new ATOM 1378 N MET A 85 0.895 -8.948 -2.299 1.00 0.00 N ATOM 1379 CA MET A 85 1.056 -10.036 -3.257 1.00 0.00 C ATOM 1380 C MET A 85 2.378 -10.764 -3.036 1.00 0.00 C ATOM 1381 O MET A 85 2.455 -11.986 -3.166 1.00 0.00 O ATOM 1382 CB MET A 85 0.988 -9.499 -4.687 1.00 0.00 C ATOM 1383 CG MET A 85 -0.260 -8.679 -4.971 1.00 0.00 C ATOM 1384 SD MET A 85 -1.779 -9.618 -4.720 1.00 0.00 S ATOM 1385 CE MET A 85 -2.264 -9.048 -3.092 1.00 0.00 C ATOM 0 H MET A 85 0.708 -8.038 -2.721 1.00 0.00 H new ATOM 0 HA MET A 85 0.242 -10.745 -3.104 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.868 -8.884 -4.877 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.028 -10.337 -5.383 1.00 0.00 H new ATOM 0 HG2 MET A 85 -0.269 -7.802 -4.324 1.00 0.00 H new ATOM 0 HG3 MET A 85 -0.226 -8.317 -5.999 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.317 -9.275 -2.926 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.661 -9.551 -2.336 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.110 -7.971 -3.023 1.00 0.00 H new ATOM 1395 N LEU A 86 3.416 -10.006 -2.701 1.00 0.00 N ATOM 1396 CA LEU A 86 4.737 -10.578 -2.462 1.00 0.00 C ATOM 1397 C LEU A 86 4.712 -11.524 -1.266 1.00 0.00 C ATOM 1398 O LEU A 86 5.154 -12.670 -1.357 1.00 0.00 O ATOM 1399 CB LEU A 86 5.762 -9.468 -2.228 1.00 0.00 C ATOM 1400 CG LEU A 86 7.231 -9.884 -2.301 1.00 0.00 C ATOM 1401 CD1 LEU A 86 7.618 -10.230 -3.730 1.00 0.00 C ATOM 1402 CD2 LEU A 86 8.126 -8.779 -1.757 1.00 0.00 C ATOM 0 H LEU A 86 3.369 -8.993 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 86 5.024 -11.147 -3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.591 -8.682 -2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.577 -9.032 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 86 7.368 -10.772 -1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.667 -10.524 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.999 -11.054 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.465 -9.360 -4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.168 -9.092 -1.817 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.985 -7.873 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.866 -8.579 -0.717 1.00 0.00 H new ATOM 1414 N LEU A 87 4.190 -11.038 -0.145 1.00 0.00 N ATOM 1415 CA LEU A 87 4.104 -11.840 1.070 1.00 0.00 C ATOM 1416 C LEU A 87 3.440 -13.184 0.790 1.00 0.00 C ATOM 1417 O LEU A 87 3.741 -14.185 1.441 1.00 0.00 O ATOM 1418 CB LEU A 87 3.323 -11.087 2.148 1.00 0.00 C ATOM 1419 CG LEU A 87 2.852 -11.919 3.341 1.00 0.00 C ATOM 1420 CD1 LEU A 87 2.747 -11.055 4.588 1.00 0.00 C ATOM 1421 CD2 LEU A 87 1.516 -12.582 3.035 1.00 0.00 C ATOM 0 H LEU A 87 3.820 -10.092 -0.053 1.00 0.00 H new ATOM 0 HA LEU A 87 5.118 -12.024 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.948 -10.275 2.521 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.450 -10.629 1.683 1.00 0.00 H new ATOM 0 HG LEU A 87 3.589 -12.700 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.410 -11.665 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.723 -10.629 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.032 -10.251 4.414 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.196 -13.170 3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.770 -11.816 2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.624 -13.235 2.169 1.00 0.00 H new ATOM 1433 N CYS A 88 2.536 -13.199 -0.184 1.00 0.00 N ATOM 1434 CA CYS A 88 1.829 -14.421 -0.552 1.00 0.00 C ATOM 1435 C CYS A 88 2.622 -15.218 -1.583 1.00 0.00 C ATOM 1436 O CYS A 88 2.663 -16.448 -1.535 1.00 0.00 O ATOM 1437 CB CYS A 88 0.443 -14.087 -1.103 1.00 0.00 C ATOM 1438 SG CYS A 88 -0.654 -13.287 0.091 1.00 0.00 S ATOM 0 H CYS A 88 2.276 -12.379 -0.733 1.00 0.00 H new ATOM 0 HA CYS A 88 1.717 -15.031 0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 88 0.556 -13.436 -1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -0.028 -15.005 -1.454 1.00 0.00 H new ATOM 0 HG CYS A 88 -1.801 -13.042 -0.470 1.00 0.00 H new ATOM 1444 N HIS A 89 3.249 -14.509 -2.516 1.00 0.00 N ATOM 1445 CA HIS A 89 4.040 -15.151 -3.560 1.00 0.00 C ATOM 1446 C HIS A 89 5.221 -15.908 -2.960 1.00 0.00 C ATOM 1447 O HIS A 89 5.524 -17.028 -3.368 1.00 0.00 O ATOM 1448 CB HIS A 89 4.543 -14.109 -4.561 1.00 0.00 C ATOM 1449 CG HIS A 89 3.599 -13.867 -5.698 1.00 0.00 C ATOM 1450 ND1 HIS A 89 2.790 -12.816 -5.970 1.00 0.00 N flip ATOM 1451 CD2 HIS A 89 3.406 -14.772 -6.722 1.00 0.00 C flip ATOM 1452 CE1 HIS A 89 2.132 -13.101 -7.141 1.00 0.00 C flip ATOM 1453 NE2 HIS A 89 2.521 -14.286 -7.574 1.00 0.00 N flip ATOM 0 H HIS A 89 3.225 -13.491 -2.571 1.00 0.00 H new ATOM 0 HA HIS A 89 3.400 -15.865 -4.079 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.717 -13.169 -4.038 1.00 0.00 H new ATOM 0 HB3 HIS A 89 5.504 -14.434 -4.960 1.00 0.00 H new ATOM 0 HD1 HIS A 89 2.688 -11.970 -5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.901 -15.728 -6.813 1.00 0.00 H new ATOM 0 HE1 HIS A 89 1.413 -12.460 -7.629 1.00 0.00 H new ATOM 1462 N ASN A 90 5.884 -15.287 -1.990 1.00 0.00 N ATOM 1463 CA ASN A 90 7.032 -15.903 -1.334 1.00 0.00 C ATOM 1464 C ASN A 90 6.695 -17.311 -0.854 1.00 0.00 C ATOM 1465 O ASN A 90 7.521 -18.219 -0.933 1.00 0.00 O ATOM 1466 CB ASN A 90 7.492 -15.045 -0.154 1.00 0.00 C ATOM 1467 CG ASN A 90 8.336 -13.863 -0.591 1.00 0.00 C ATOM 1468 OD1 ASN A 90 8.948 -13.885 -1.659 1.00 0.00 O ATOM 1469 ND2 ASN A 90 8.372 -12.824 0.235 1.00 0.00 N ATOM 0 H ASN A 90 5.646 -14.358 -1.641 1.00 0.00 H new ATOM 0 HA ASN A 90 7.841 -15.972 -2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.620 -14.683 0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.066 -15.662 0.538 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.923 -12.000 -0.006 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.849 -12.850 1.110 1.00 0.00 H new ATOM 1476 N ALA A 91 5.475 -17.483 -0.356 1.00 0.00 N ATOM 1477 CA ALA A 91 5.026 -18.781 0.135 1.00 0.00 C ATOM 1478 C ALA A 91 4.878 -19.779 -1.009 1.00 0.00 C ATOM 1479 O ALA A 91 5.526 -20.825 -1.018 1.00 0.00 O ATOM 1480 CB ALA A 91 3.711 -18.635 0.885 1.00 0.00 C ATOM 0 H ALA A 91 4.780 -16.740 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 91 5.782 -19.164 0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.388 -19.611 1.246 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.848 -17.962 1.732 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.954 -18.227 0.216 1.00 0.00 H new ATOM 1486 N GLN A 92 4.021 -19.448 -1.969 1.00 0.00 N ATOM 1487 CA GLN A 92 3.787 -20.317 -3.116 1.00 0.00 C ATOM 1488 C GLN A 92 5.107 -20.783 -3.724 1.00 0.00 C ATOM 1489 O GLN A 92 5.176 -21.844 -4.346 1.00 0.00 O ATOM 1490 CB GLN A 92 2.954 -19.590 -4.173 1.00 0.00 C ATOM 1491 CG GLN A 92 1.581 -19.165 -3.678 1.00 0.00 C ATOM 1492 CD GLN A 92 0.747 -18.510 -4.762 1.00 0.00 C ATOM 1493 OE1 GLN A 92 0.924 -18.786 -5.949 1.00 0.00 O ATOM 1494 NE2 GLN A 92 -0.168 -17.636 -4.358 1.00 0.00 N ATOM 0 H GLN A 92 3.477 -18.585 -1.975 1.00 0.00 H new ATOM 0 HA GLN A 92 3.237 -21.192 -2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.499 -18.708 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.834 -20.240 -5.039 1.00 0.00 H new ATOM 0 HG2 GLN A 92 1.051 -20.037 -3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 92 1.698 -18.471 -2.846 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -0.280 -17.438 -3.364 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -0.759 -17.163 -5.042 1.00 0.00 H new ATOM 1503 N THR A 93 6.152 -19.983 -3.540 1.00 0.00 N ATOM 1504 CA THR A 93 7.469 -20.312 -4.072 1.00 0.00 C ATOM 1505 C THR A 93 8.142 -21.397 -3.239 1.00 0.00 C ATOM 1506 O THR A 93 8.824 -22.271 -3.775 1.00 0.00 O ATOM 1507 CB THR A 93 8.383 -19.073 -4.115 1.00 0.00 C ATOM 1508 OG1 THR A 93 7.857 -18.108 -5.033 1.00 0.00 O ATOM 1509 CG2 THR A 93 9.796 -19.457 -4.528 1.00 0.00 C ATOM 0 H THR A 93 6.112 -19.102 -3.027 1.00 0.00 H new ATOM 0 HA THR A 93 7.318 -20.678 -5.088 1.00 0.00 H new ATOM 0 HB THR A 93 8.419 -18.640 -3.115 1.00 0.00 H new ATOM 0 HG1 THR A 93 7.080 -17.665 -4.632 1.00 0.00 H new ATOM 0 HG21 THR A 93 10.423 -18.566 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 93 10.204 -20.169 -3.811 1.00 0.00 H new ATOM 0 HG23 THR A 93 9.775 -19.912 -5.518 1.00 0.00 H new ATOM 1517 N PHE A 94 7.946 -21.336 -1.926 1.00 0.00 N ATOM 1518 CA PHE A 94 8.535 -22.314 -1.019 1.00 0.00 C ATOM 1519 C PHE A 94 7.586 -23.488 -0.795 1.00 0.00 C ATOM 1520 O PHE A 94 7.934 -24.639 -1.055 1.00 0.00 O ATOM 1521 CB PHE A 94 8.878 -21.658 0.320 1.00 0.00 C ATOM 1522 CG PHE A 94 10.054 -22.286 1.012 1.00 0.00 C ATOM 1523 CD1 PHE A 94 9.905 -23.459 1.734 1.00 0.00 C ATOM 1524 CD2 PHE A 94 11.309 -21.703 0.939 1.00 0.00 C ATOM 1525 CE1 PHE A 94 10.985 -24.038 2.372 1.00 0.00 C ATOM 1526 CE2 PHE A 94 12.393 -22.278 1.575 1.00 0.00 C ATOM 1527 CZ PHE A 94 12.231 -23.448 2.291 1.00 0.00 C ATOM 0 H PHE A 94 7.384 -20.620 -1.466 1.00 0.00 H new ATOM 0 HA PHE A 94 9.450 -22.691 -1.476 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.086 -20.601 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.009 -21.713 0.976 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.933 -23.926 1.799 1.00 0.00 H new ATOM 0 HD2 PHE A 94 11.442 -20.789 0.379 1.00 0.00 H new ATOM 0 HE1 PHE A 94 10.855 -24.951 2.934 1.00 0.00 H new ATOM 0 HE2 PHE A 94 13.366 -21.813 1.512 1.00 0.00 H new ATOM 0 HZ PHE A 94 13.077 -23.901 2.787 1.00 0.00 H new ATOM 1537 N ASN A 95 6.386 -23.187 -0.310 1.00 0.00 N ATOM 1538 CA ASN A 95 5.387 -24.217 -0.049 1.00 0.00 C ATOM 1539 C ASN A 95 4.997 -24.936 -1.337 1.00 0.00 C ATOM 1540 O ASN A 95 4.911 -24.322 -2.402 1.00 0.00 O ATOM 1541 CB ASN A 95 4.146 -23.600 0.600 1.00 0.00 C ATOM 1542 CG ASN A 95 4.280 -23.480 2.106 1.00 0.00 C ATOM 1543 OD1 ASN A 95 3.866 -24.370 2.849 1.00 0.00 O ATOM 1544 ND2 ASN A 95 4.860 -22.377 2.562 1.00 0.00 N ATOM 0 H ASN A 95 6.082 -22.239 -0.090 1.00 0.00 H new ATOM 0 HA ASN A 95 5.823 -24.946 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 95 3.970 -22.612 0.174 1.00 0.00 H new ATOM 0 HB3 ASN A 95 3.274 -24.210 0.363 1.00 0.00 H new ATOM 0 HD21 ASN A 95 4.978 -22.240 3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.188 -21.666 1.909 1.00 0.00 H new ATOM 1551 N LEU A 96 4.762 -26.239 -1.233 1.00 0.00 N ATOM 1552 CA LEU A 96 4.380 -27.042 -2.389 1.00 0.00 C ATOM 1553 C LEU A 96 3.023 -26.605 -2.932 1.00 0.00 C ATOM 1554 O LEU A 96 2.287 -25.873 -2.271 1.00 0.00 O ATOM 1555 CB LEU A 96 4.339 -28.525 -2.014 1.00 0.00 C ATOM 1556 CG LEU A 96 5.673 -29.271 -2.080 1.00 0.00 C ATOM 1557 CD1 LEU A 96 6.306 -29.112 -3.453 1.00 0.00 C ATOM 1558 CD2 LEU A 96 6.616 -28.773 -0.995 1.00 0.00 C ATOM 0 H LEU A 96 4.829 -26.762 -0.360 1.00 0.00 H new ATOM 0 HA LEU A 96 5.128 -26.891 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.946 -28.612 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.632 -29.027 -2.674 1.00 0.00 H new ATOM 0 HG LEU A 96 5.484 -30.331 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.254 -29.649 -3.481 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.636 -29.518 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.482 -28.055 -3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.560 -29.315 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.799 -27.707 -1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.165 -28.940 -0.017 1.00 0.00 H new ATOM 1570 N GLU A 97 2.699 -27.062 -4.137 1.00 0.00 N ATOM 1571 CA GLU A 97 1.429 -26.719 -4.767 1.00 0.00 C ATOM 1572 C GLU A 97 0.269 -27.430 -4.076 1.00 0.00 C ATOM 1573 O GLU A 97 0.468 -28.398 -3.342 1.00 0.00 O ATOM 1574 CB GLU A 97 1.455 -27.087 -6.252 1.00 0.00 C ATOM 1575 CG GLU A 97 2.126 -26.042 -7.127 1.00 0.00 C ATOM 1576 CD GLU A 97 1.882 -26.273 -8.605 1.00 0.00 C ATOM 1577 OE1 GLU A 97 2.634 -27.063 -9.214 1.00 0.00 O ATOM 1578 OE2 GLU A 97 0.938 -25.666 -9.153 1.00 0.00 O ATOM 0 H GLU A 97 3.297 -27.670 -4.696 1.00 0.00 H new ATOM 0 HA GLU A 97 1.283 -25.643 -4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.975 -28.038 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.432 -27.236 -6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 97 1.758 -25.053 -6.852 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.199 -26.048 -6.935 1.00 0.00 H new ATOM 1585 N GLY A 98 -0.944 -26.942 -4.315 1.00 0.00 N ATOM 1586 CA GLY A 98 -2.118 -27.542 -3.709 1.00 0.00 C ATOM 1587 C GLY A 98 -1.842 -28.078 -2.318 1.00 0.00 C ATOM 1588 O GLY A 98 -2.424 -29.081 -1.905 1.00 0.00 O ATOM 0 H GLY A 98 -1.135 -26.142 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -2.916 -26.801 -3.658 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -2.476 -28.353 -4.343 1.00 0.00 H new ATOM 1592 N SER A 99 -0.951 -27.409 -1.594 1.00 0.00 N ATOM 1593 CA SER A 99 -0.595 -27.827 -0.243 1.00 0.00 C ATOM 1594 C SER A 99 -1.414 -27.066 0.795 1.00 0.00 C ATOM 1595 O SER A 99 -2.081 -26.083 0.475 1.00 0.00 O ATOM 1596 CB SER A 99 0.898 -27.604 0.006 1.00 0.00 C ATOM 1597 OG SER A 99 1.403 -28.533 0.949 1.00 0.00 O ATOM 0 H SER A 99 -0.462 -26.575 -1.920 1.00 0.00 H new ATOM 0 HA SER A 99 -0.817 -28.890 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.444 -27.700 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.062 -26.589 0.368 1.00 0.00 H new ATOM 0 HG SER A 99 2.359 -28.370 1.089 1.00 0.00 H new ATOM 1603 N GLN A 100 -1.356 -27.528 2.040 1.00 0.00 N ATOM 1604 CA GLN A 100 -2.093 -26.892 3.126 1.00 0.00 C ATOM 1605 C GLN A 100 -1.910 -25.379 3.094 1.00 0.00 C ATOM 1606 O GLN A 100 -2.874 -24.630 2.930 1.00 0.00 O ATOM 1607 CB GLN A 100 -1.633 -27.446 4.475 1.00 0.00 C ATOM 1608 CG GLN A 100 -1.889 -28.935 4.642 1.00 0.00 C ATOM 1609 CD GLN A 100 -3.335 -29.245 4.976 1.00 0.00 C ATOM 1610 OE1 GLN A 100 -4.208 -29.147 3.980 1.00 0.00 O flip ATOM 1611 NE2 GLN A 100 -3.665 -29.568 6.118 1.00 0.00 N flip ATOM 0 H GLN A 100 -0.807 -28.340 2.322 1.00 0.00 H new ATOM 0 HA GLN A 100 -3.152 -27.114 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.566 -27.254 4.592 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.144 -26.907 5.273 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.613 -29.452 3.723 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.246 -29.324 5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.961 -29.631 6.854 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.642 -29.772 6.328 1.00 0.00 H new ATOM 1620 N ILE A 101 -0.667 -24.935 3.253 1.00 0.00 N ATOM 1621 CA ILE A 101 -0.358 -23.510 3.242 1.00 0.00 C ATOM 1622 C ILE A 101 -0.645 -22.896 1.876 1.00 0.00 C ATOM 1623 O ILE A 101 -1.203 -21.803 1.779 1.00 0.00 O ATOM 1624 CB ILE A 101 1.115 -23.251 3.610 1.00 0.00 C ATOM 1625 CG1 ILE A 101 1.389 -23.696 5.048 1.00 0.00 C ATOM 1626 CG2 ILE A 101 1.454 -21.779 3.432 1.00 0.00 C ATOM 1627 CD1 ILE A 101 2.792 -23.384 5.519 1.00 0.00 C ATOM 0 H ILE A 101 0.142 -25.541 3.391 1.00 0.00 H new ATOM 0 HA ILE A 101 -0.998 -23.042 3.990 1.00 0.00 H new ATOM 0 HB ILE A 101 1.749 -23.833 2.942 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.675 -23.210 5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.218 -24.770 5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 101 2.498 -21.612 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.292 -21.491 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 101 0.815 -21.178 4.079 1.00 0.00 H new ATOM 0 HD11 ILE A 101 2.916 -23.727 6.546 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.512 -23.892 4.878 1.00 0.00 H new ATOM 0 HD13 ILE A 101 2.960 -22.308 5.473 1.00 0.00 H new ATOM 1639 N TYR A 102 -0.260 -23.607 0.821 1.00 0.00 N ATOM 1640 CA TYR A 102 -0.475 -23.132 -0.540 1.00 0.00 C ATOM 1641 C TYR A 102 -1.867 -22.527 -0.693 1.00 0.00 C ATOM 1642 O TYR A 102 -2.011 -21.324 -0.910 1.00 0.00 O ATOM 1643 CB TYR A 102 -0.293 -24.278 -1.537 1.00 0.00 C ATOM 1644 CG TYR A 102 -0.003 -23.813 -2.947 1.00 0.00 C ATOM 1645 CD1 TYR A 102 1.297 -23.553 -3.361 1.00 0.00 C ATOM 1646 CD2 TYR A 102 -1.031 -23.636 -3.865 1.00 0.00 C ATOM 1647 CE1 TYR A 102 1.566 -23.128 -4.647 1.00 0.00 C ATOM 1648 CE2 TYR A 102 -0.772 -23.213 -5.155 1.00 0.00 C ATOM 1649 CZ TYR A 102 0.528 -22.960 -5.541 1.00 0.00 C ATOM 1650 OH TYR A 102 0.792 -22.538 -6.824 1.00 0.00 O ATOM 0 H TYR A 102 0.202 -24.514 0.883 1.00 0.00 H new ATOM 0 HA TYR A 102 0.263 -22.357 -0.748 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.523 -24.917 -1.199 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -1.195 -24.890 -1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.112 -23.686 -2.665 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -2.050 -23.832 -3.565 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.583 -22.928 -4.951 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.582 -23.081 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 102 -0.047 -22.471 -7.326 1.00 0.00 H new ATOM 1660 N GLU A 103 -2.888 -23.370 -0.577 1.00 0.00 N ATOM 1661 CA GLU A 103 -4.269 -22.919 -0.702 1.00 0.00 C ATOM 1662 C GLU A 103 -4.465 -21.571 -0.014 1.00 0.00 C ATOM 1663 O GLU A 103 -5.094 -20.667 -0.564 1.00 0.00 O ATOM 1664 CB GLU A 103 -5.223 -23.953 -0.102 1.00 0.00 C ATOM 1665 CG GLU A 103 -5.453 -25.159 -0.997 1.00 0.00 C ATOM 1666 CD GLU A 103 -6.026 -26.344 -0.243 1.00 0.00 C ATOM 1667 OE1 GLU A 103 -5.304 -26.918 0.598 1.00 0.00 O ATOM 1668 OE2 GLU A 103 -7.198 -26.697 -0.496 1.00 0.00 O ATOM 0 H GLU A 103 -2.785 -24.369 -0.397 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.492 -22.802 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.824 -24.291 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -6.181 -23.475 0.103 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.132 -24.884 -1.804 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -4.509 -25.449 -1.459 1.00 0.00 H new ATOM 1675 N ASP A 104 -3.923 -21.444 1.192 1.00 0.00 N ATOM 1676 CA ASP A 104 -4.037 -20.207 1.956 1.00 0.00 C ATOM 1677 C ASP A 104 -3.502 -19.023 1.156 1.00 0.00 C ATOM 1678 O ASP A 104 -4.217 -18.050 0.916 1.00 0.00 O ATOM 1679 CB ASP A 104 -3.280 -20.328 3.279 1.00 0.00 C ATOM 1680 CG ASP A 104 -3.645 -21.586 4.042 1.00 0.00 C ATOM 1681 OD1 ASP A 104 -4.127 -22.547 3.407 1.00 0.00 O ATOM 1682 OD2 ASP A 104 -3.447 -21.611 5.275 1.00 0.00 O ATOM 0 H ASP A 104 -3.400 -22.183 1.662 1.00 0.00 H new ATOM 0 HA ASP A 104 -5.093 -20.034 2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.208 -20.324 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -3.494 -19.456 3.898 1.00 0.00 H new ATOM 1687 N SER A 105 -2.241 -19.113 0.748 1.00 0.00 N ATOM 1688 CA SER A 105 -1.609 -18.047 -0.021 1.00 0.00 C ATOM 1689 C SER A 105 -2.552 -17.522 -1.099 1.00 0.00 C ATOM 1690 O SER A 105 -2.654 -16.314 -1.315 1.00 0.00 O ATOM 1691 CB SER A 105 -0.313 -18.550 -0.661 1.00 0.00 C ATOM 1692 OG SER A 105 -0.585 -19.434 -1.734 1.00 0.00 O ATOM 0 H SER A 105 -1.636 -19.913 0.937 1.00 0.00 H new ATOM 0 HA SER A 105 -1.375 -17.230 0.662 1.00 0.00 H new ATOM 0 HB2 SER A 105 0.271 -17.703 -1.022 1.00 0.00 H new ATOM 0 HB3 SER A 105 0.293 -19.058 0.089 1.00 0.00 H new ATOM 0 HG SER A 105 -0.789 -20.325 -1.380 1.00 0.00 H new ATOM 1698 N ILE A 106 -3.238 -18.439 -1.773 1.00 0.00 N ATOM 1699 CA ILE A 106 -4.173 -18.070 -2.829 1.00 0.00 C ATOM 1700 C ILE A 106 -5.389 -17.348 -2.258 1.00 0.00 C ATOM 1701 O ILE A 106 -5.827 -16.329 -2.792 1.00 0.00 O ATOM 1702 CB ILE A 106 -4.647 -19.304 -3.618 1.00 0.00 C ATOM 1703 CG1 ILE A 106 -3.462 -19.978 -4.313 1.00 0.00 C ATOM 1704 CG2 ILE A 106 -5.708 -18.908 -4.634 1.00 0.00 C ATOM 1705 CD1 ILE A 106 -2.790 -21.039 -3.469 1.00 0.00 C ATOM 0 H ILE A 106 -3.164 -19.443 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.639 -17.401 -3.504 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.088 -20.016 -2.920 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.806 -20.429 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.727 -19.218 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.033 -19.791 -5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -6.561 -18.468 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.291 -18.180 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.959 -21.474 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.415 -20.589 -2.549 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.511 -21.819 -3.224 1.00 0.00 H new ATOM 1717 N VAL A 107 -5.929 -17.882 -1.167 1.00 0.00 N ATOM 1718 CA VAL A 107 -7.093 -17.287 -0.521 1.00 0.00 C ATOM 1719 C VAL A 107 -6.819 -15.843 -0.116 1.00 0.00 C ATOM 1720 O VAL A 107 -7.490 -14.919 -0.578 1.00 0.00 O ATOM 1721 CB VAL A 107 -7.512 -18.087 0.727 1.00 0.00 C ATOM 1722 CG1 VAL A 107 -8.639 -17.378 1.462 1.00 0.00 C ATOM 1723 CG2 VAL A 107 -7.923 -19.500 0.340 1.00 0.00 C ATOM 0 H VAL A 107 -5.579 -18.725 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 107 -7.905 -17.310 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.657 -18.153 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.922 -17.958 2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -8.305 -16.388 1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.499 -17.279 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -8.216 -20.051 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -8.764 -19.458 -0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -7.084 -20.005 -0.139 1.00 0.00 H new ATOM 1733 N LEU A 108 -5.828 -15.655 0.749 1.00 0.00 N ATOM 1734 CA LEU A 108 -5.464 -14.322 1.216 1.00 0.00 C ATOM 1735 C LEU A 108 -5.629 -13.291 0.104 1.00 0.00 C ATOM 1736 O LEU A 108 -6.246 -12.244 0.302 1.00 0.00 O ATOM 1737 CB LEU A 108 -4.021 -14.315 1.724 1.00 0.00 C ATOM 1738 CG LEU A 108 -3.707 -15.279 2.868 1.00 0.00 C ATOM 1739 CD1 LEU A 108 -2.204 -15.430 3.042 1.00 0.00 C ATOM 1740 CD2 LEU A 108 -4.350 -14.799 4.161 1.00 0.00 C ATOM 0 H LEU A 108 -5.263 -16.408 1.141 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.132 -14.056 2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.362 -14.548 0.888 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.777 -13.304 2.050 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.123 -16.255 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.000 -16.120 3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -1.769 -15.820 2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.764 -14.459 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.116 -15.497 4.965 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -3.964 -13.812 4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -5.431 -14.744 4.031 1.00 0.00 H new ATOM 1752 N GLN A 109 -5.075 -13.595 -1.065 1.00 0.00 N ATOM 1753 CA GLN A 109 -5.162 -12.695 -2.209 1.00 0.00 C ATOM 1754 C GLN A 109 -6.604 -12.259 -2.449 1.00 0.00 C ATOM 1755 O GLN A 109 -6.928 -11.075 -2.360 1.00 0.00 O ATOM 1756 CB GLN A 109 -4.606 -13.373 -3.462 1.00 0.00 C ATOM 1757 CG GLN A 109 -3.091 -13.305 -3.569 1.00 0.00 C ATOM 1758 CD GLN A 109 -2.603 -13.390 -5.002 1.00 0.00 C ATOM 1759 OE1 GLN A 109 -3.050 -12.637 -5.868 1.00 0.00 O ATOM 1760 NE2 GLN A 109 -1.679 -14.308 -5.259 1.00 0.00 N ATOM 0 H GLN A 109 -4.561 -14.458 -1.245 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.565 -11.810 -1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -4.916 -14.418 -3.467 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -5.046 -12.906 -4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -2.741 -12.373 -3.124 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -2.653 -14.119 -2.991 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -1.337 -14.911 -4.511 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.311 -14.410 -6.205 1.00 0.00 H new ATOM 1769 N SER A 110 -7.465 -13.224 -2.755 1.00 0.00 N ATOM 1770 CA SER A 110 -8.872 -12.939 -3.013 1.00 0.00 C ATOM 1771 C SER A 110 -9.440 -12.001 -1.952 1.00 0.00 C ATOM 1772 O SER A 110 -10.319 -11.187 -2.233 1.00 0.00 O ATOM 1773 CB SER A 110 -9.679 -14.238 -3.047 1.00 0.00 C ATOM 1774 OG SER A 110 -11.061 -13.975 -3.217 1.00 0.00 O ATOM 0 H SER A 110 -7.213 -14.210 -2.830 1.00 0.00 H new ATOM 0 HA SER A 110 -8.946 -12.448 -3.983 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.323 -14.870 -3.861 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.522 -14.792 -2.121 1.00 0.00 H new ATOM 0 HG SER A 110 -11.555 -14.821 -3.237 1.00 0.00 H new ATOM 1780 N VAL A 111 -8.930 -12.122 -0.730 1.00 0.00 N ATOM 1781 CA VAL A 111 -9.384 -11.286 0.374 1.00 0.00 C ATOM 1782 C VAL A 111 -8.944 -9.839 0.185 1.00 0.00 C ATOM 1783 O VAL A 111 -9.713 -8.908 0.426 1.00 0.00 O ATOM 1784 CB VAL A 111 -8.851 -11.801 1.724 1.00 0.00 C ATOM 1785 CG1 VAL A 111 -9.534 -11.082 2.878 1.00 0.00 C ATOM 1786 CG2 VAL A 111 -9.044 -13.306 1.834 1.00 0.00 C ATOM 0 H VAL A 111 -8.202 -12.791 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.473 -11.334 0.380 1.00 0.00 H new ATOM 0 HB VAL A 111 -7.783 -11.590 1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -9.144 -11.459 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -9.339 -10.012 2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -10.609 -11.259 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.662 -13.653 2.794 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -10.105 -13.543 1.759 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.503 -13.802 1.028 1.00 0.00 H new ATOM 1796 N PHE A 112 -7.701 -9.656 -0.249 1.00 0.00 N ATOM 1797 CA PHE A 112 -7.157 -8.321 -0.471 1.00 0.00 C ATOM 1798 C PHE A 112 -8.077 -7.502 -1.372 1.00 0.00 C ATOM 1799 O PHE A 112 -8.551 -6.433 -0.987 1.00 0.00 O ATOM 1800 CB PHE A 112 -5.763 -8.413 -1.095 1.00 0.00 C ATOM 1801 CG PHE A 112 -5.232 -7.091 -1.571 1.00 0.00 C ATOM 1802 CD1 PHE A 112 -4.586 -6.233 -0.696 1.00 0.00 C ATOM 1803 CD2 PHE A 112 -5.377 -6.707 -2.895 1.00 0.00 C ATOM 1804 CE1 PHE A 112 -4.097 -5.016 -1.132 1.00 0.00 C ATOM 1805 CE2 PHE A 112 -4.890 -5.492 -3.336 1.00 0.00 C ATOM 1806 CZ PHE A 112 -4.248 -4.646 -2.454 1.00 0.00 C ATOM 0 H PHE A 112 -7.052 -10.415 -0.454 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.083 -7.820 0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.072 -8.831 -0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.795 -9.107 -1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -4.463 -6.518 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -5.877 -7.366 -3.590 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -3.597 -4.355 -0.439 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -5.011 -5.204 -4.370 1.00 0.00 H new ATOM 0 HZ PHE A 112 -3.865 -3.696 -2.797 1.00 0.00 H new ATOM 1816 N LYS A 113 -8.325 -8.011 -2.574 1.00 0.00 N ATOM 1817 CA LYS A 113 -9.188 -7.329 -3.531 1.00 0.00 C ATOM 1818 C LYS A 113 -10.536 -6.992 -2.903 1.00 0.00 C ATOM 1819 O LYS A 113 -10.978 -5.844 -2.939 1.00 0.00 O ATOM 1820 CB LYS A 113 -9.394 -8.199 -4.773 1.00 0.00 C ATOM 1821 CG LYS A 113 -8.110 -8.499 -5.526 1.00 0.00 C ATOM 1822 CD LYS A 113 -8.306 -9.611 -6.542 1.00 0.00 C ATOM 1823 CE LYS A 113 -8.394 -10.972 -5.869 1.00 0.00 C ATOM 1824 NZ LYS A 113 -8.174 -12.084 -6.835 1.00 0.00 N ATOM 0 H LYS A 113 -7.940 -8.894 -2.909 1.00 0.00 H new ATOM 0 HA LYS A 113 -8.701 -6.399 -3.824 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -9.858 -9.139 -4.475 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -10.091 -7.698 -5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -7.766 -7.598 -6.034 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.331 -8.784 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -9.216 -9.427 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.478 -9.607 -7.251 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.653 -11.032 -5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -9.373 -11.084 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.242 -12.995 -6.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -8.896 -12.043 -7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -7.230 -11.992 -7.261 1.00 0.00 H new ATOM 1838 N SER A 114 -11.185 -8.000 -2.328 1.00 0.00 N ATOM 1839 CA SER A 114 -12.485 -7.810 -1.694 1.00 0.00 C ATOM 1840 C SER A 114 -12.426 -6.691 -0.659 1.00 0.00 C ATOM 1841 O SER A 114 -13.401 -5.970 -0.452 1.00 0.00 O ATOM 1842 CB SER A 114 -12.948 -9.109 -1.033 1.00 0.00 C ATOM 1843 OG SER A 114 -14.359 -9.141 -0.904 1.00 0.00 O ATOM 0 H SER A 114 -10.832 -8.956 -2.288 1.00 0.00 H new ATOM 0 HA SER A 114 -13.201 -7.529 -2.466 1.00 0.00 H new ATOM 0 HB2 SER A 114 -12.614 -9.961 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.488 -9.205 -0.050 1.00 0.00 H new ATOM 0 HG SER A 114 -14.630 -9.982 -0.480 1.00 0.00 H new ATOM 1849 N ALA A 115 -11.274 -6.554 -0.010 1.00 0.00 N ATOM 1850 CA ALA A 115 -11.086 -5.523 1.003 1.00 0.00 C ATOM 1851 C ALA A 115 -10.822 -4.165 0.362 1.00 0.00 C ATOM 1852 O ALA A 115 -10.923 -3.128 1.018 1.00 0.00 O ATOM 1853 CB ALA A 115 -9.943 -5.900 1.934 1.00 0.00 C ATOM 0 H ALA A 115 -10.457 -7.144 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.005 -5.449 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -9.814 -5.121 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.172 -6.845 2.427 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.024 -6.004 1.358 1.00 0.00 H new ATOM 1859 N ARG A 116 -10.483 -4.178 -0.923 1.00 0.00 N ATOM 1860 CA ARG A 116 -10.203 -2.947 -1.652 1.00 0.00 C ATOM 1861 C ARG A 116 -11.470 -2.401 -2.303 1.00 0.00 C ATOM 1862 O ARG A 116 -11.786 -1.219 -2.172 1.00 0.00 O ATOM 1863 CB ARG A 116 -9.134 -3.193 -2.718 1.00 0.00 C ATOM 1864 CG ARG A 116 -8.879 -1.992 -3.614 1.00 0.00 C ATOM 1865 CD ARG A 116 -7.879 -2.317 -4.712 1.00 0.00 C ATOM 1866 NE ARG A 116 -7.623 -1.169 -5.577 1.00 0.00 N ATOM 1867 CZ ARG A 116 -7.073 -1.265 -6.782 1.00 0.00 C ATOM 1868 NH1 ARG A 116 -6.724 -2.450 -7.263 1.00 0.00 N ATOM 1869 NH2 ARG A 116 -6.872 -0.174 -7.510 1.00 0.00 N ATOM 0 H ARG A 116 -10.396 -5.028 -1.481 1.00 0.00 H new ATOM 0 HA ARG A 116 -9.834 -2.208 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -8.202 -3.474 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -9.437 -4.039 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -9.818 -1.665 -4.061 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -8.505 -1.162 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -6.943 -2.648 -4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -8.256 -3.146 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.881 -0.242 -5.237 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -6.878 -3.291 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -6.302 -2.520 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -7.140 0.740 -7.144 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -6.449 -0.249 -8.435 1.00 0.00 H new ATOM 1883 N GLN A 117 -12.190 -3.270 -3.006 1.00 0.00 N ATOM 1884 CA GLN A 117 -13.421 -2.873 -3.679 1.00 0.00 C ATOM 1885 C GLN A 117 -14.488 -2.468 -2.667 1.00 0.00 C ATOM 1886 O GLN A 117 -15.389 -1.690 -2.979 1.00 0.00 O ATOM 1887 CB GLN A 117 -13.939 -4.015 -4.555 1.00 0.00 C ATOM 1888 CG GLN A 117 -14.180 -5.307 -3.790 1.00 0.00 C ATOM 1889 CD GLN A 117 -14.659 -6.434 -4.684 1.00 0.00 C ATOM 1890 OE1 GLN A 117 -14.581 -6.345 -5.910 1.00 0.00 O ATOM 1891 NE2 GLN A 117 -15.159 -7.502 -4.074 1.00 0.00 N ATOM 0 H GLN A 117 -11.942 -4.252 -3.124 1.00 0.00 H new ATOM 0 HA GLN A 117 -13.199 -2.012 -4.310 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -14.870 -3.704 -5.030 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -13.221 -4.204 -5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -13.257 -5.609 -3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -14.919 -5.130 -3.008 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -15.204 -7.533 -3.055 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -15.498 -8.292 -4.624 1.00 0.00 H new ATOM 1900 N SER A 118 -14.379 -3.001 -1.454 1.00 0.00 N ATOM 1901 CA SER A 118 -15.337 -2.699 -0.398 1.00 0.00 C ATOM 1902 C SER A 118 -15.216 -1.244 0.045 1.00 0.00 C ATOM 1903 O SER A 118 -14.262 -0.867 0.725 1.00 0.00 O ATOM 1904 CB SER A 118 -15.120 -3.627 0.798 1.00 0.00 C ATOM 1905 OG SER A 118 -15.627 -4.924 0.536 1.00 0.00 O ATOM 0 H SER A 118 -13.637 -3.644 -1.179 1.00 0.00 H new ATOM 0 HA SER A 118 -16.340 -2.858 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 118 -14.056 -3.688 1.026 1.00 0.00 H new ATOM 0 HB3 SER A 118 -15.611 -3.212 1.678 1.00 0.00 H new ATOM 0 HG SER A 118 -14.888 -5.523 0.301 1.00 0.00 H new ATOM 1911 N GLY A 119 -16.191 -0.429 -0.346 1.00 0.00 N ATOM 1912 CA GLY A 119 -16.176 0.976 0.018 1.00 0.00 C ATOM 1913 C GLY A 119 -16.801 1.229 1.376 1.00 0.00 C ATOM 1914 O GLY A 119 -16.933 0.325 2.201 1.00 0.00 O ATOM 0 H GLY A 119 -16.992 -0.717 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -15.147 1.336 0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -16.712 1.550 -0.738 1.00 0.00 H new ATOM 1918 N PRO A 120 -17.196 2.486 1.624 1.00 0.00 N ATOM 1919 CA PRO A 120 -17.816 2.886 2.891 1.00 0.00 C ATOM 1920 C PRO A 120 -19.217 2.308 3.058 1.00 0.00 C ATOM 1921 O PRO A 120 -19.533 1.708 4.086 1.00 0.00 O ATOM 1922 CB PRO A 120 -17.876 4.412 2.791 1.00 0.00 C ATOM 1923 CG PRO A 120 -17.895 4.696 1.329 1.00 0.00 C ATOM 1924 CD PRO A 120 -17.069 3.615 0.687 1.00 0.00 C ATOM 0 HA PRO A 120 -17.254 2.524 3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -18.766 4.806 3.282 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -17.015 4.874 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -18.914 4.689 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -17.481 5.682 1.117 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -17.443 3.359 -0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -16.030 3.922 0.566 1.00 0.00 H new ATOM 1932 N SER A 121 -20.054 2.492 2.042 1.00 0.00 N ATOM 1933 CA SER A 121 -21.423 1.991 2.078 1.00 0.00 C ATOM 1934 C SER A 121 -21.447 0.495 2.373 1.00 0.00 C ATOM 1935 O SER A 121 -21.431 -0.330 1.459 1.00 0.00 O ATOM 1936 CB SER A 121 -22.126 2.272 0.749 1.00 0.00 C ATOM 1937 OG SER A 121 -21.912 3.608 0.330 1.00 0.00 O ATOM 0 H SER A 121 -19.808 2.985 1.183 1.00 0.00 H new ATOM 0 HA SER A 121 -21.952 2.509 2.878 1.00 0.00 H new ATOM 0 HB2 SER A 121 -21.757 1.585 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 121 -23.195 2.088 0.854 1.00 0.00 H new ATOM 0 HG SER A 121 -22.370 3.761 -0.523 1.00 0.00 H new ATOM 1943 N SER A 122 -21.484 0.152 3.657 1.00 0.00 N ATOM 1944 CA SER A 122 -21.506 -1.245 4.075 1.00 0.00 C ATOM 1945 C SER A 122 -22.770 -1.555 4.871 1.00 0.00 C ATOM 1946 O SER A 122 -23.313 -0.689 5.556 1.00 0.00 O ATOM 1947 CB SER A 122 -20.269 -1.568 4.915 1.00 0.00 C ATOM 1948 OG SER A 122 -20.119 -0.644 5.978 1.00 0.00 O ATOM 0 H SER A 122 -21.499 0.822 4.426 1.00 0.00 H new ATOM 0 HA SER A 122 -21.501 -1.866 3.179 1.00 0.00 H new ATOM 0 HB2 SER A 122 -20.352 -2.578 5.316 1.00 0.00 H new ATOM 0 HB3 SER A 122 -19.381 -1.547 4.283 1.00 0.00 H new ATOM 0 HG SER A 122 -19.865 0.231 5.617 1.00 0.00 H new ATOM 1954 N GLY A 123 -23.234 -2.797 4.774 1.00 0.00 N ATOM 1955 CA GLY A 123 -24.430 -3.200 5.490 1.00 0.00 C ATOM 1956 C GLY A 123 -24.304 -4.583 6.098 1.00 0.00 C ATOM 1957 O GLY A 123 -25.300 -5.285 6.272 1.00 0.00 O ATOM 0 H GLY A 123 -22.803 -3.531 4.212 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -24.638 -2.477 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -25.281 -3.182 4.809 1.00 0.00 H new TER 1961 GLY A 123