USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 987 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 103 LYS NZ :NH3+ 140:sc= -0.233 (180deg=-2.23!) USER MOD Set 1.2: A 126 ASN : amide:sc= 0.0668 K(o=-0.17,f=-1.8) USER MOD Set 2.1: A 70 TYR OH : rot 24:sc= 0.857 USER MOD Set 2.2: A 124 ASN : amide:sc= 1.07 K(o=2.5,f=-1.1) USER MOD Set 2.3: A 128 ASN : amide:sc= 0.534 K(o=2.5,f=-0.36) USER MOD Set 3.1: A 22 MET CE :methyl -164:sc= -0.136 (180deg=-0.719) USER MOD Set 3.2: A 71 THR OG1 : rot -173:sc= 0 USER MOD Set 3.3: A 75 LYS NZ :NH3+ 180:sc= 0.826 (180deg=0.826) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.111 (180deg=-0.503) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0238 (180deg=-0.354) USER MOD Single : A 3 HIS : no HD1:sc= -0.017 X(o=-0.017,f=0) USER MOD Single : A 4 HIS : no HE2:sc= -0.352 K(o=-0.35,f=-3!) USER MOD Single : A 5 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.48) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.821 K(o=-0.82,f=-2.8!) USER MOD Single : A 8 HIS : no HD1:sc= -0.852 K(o=-0.85,f=-3!) USER MOD Single : A 9 MET CE :methyl -163:sc= -0.0866 (180deg=-0.514) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.61) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00495 USER MOD Single : A 17 GLN : amide:sc= -0.763 K(o=-0.76,f=0) USER MOD Single : A 21 SER OG : rot -44:sc= 0.34 USER MOD Single : A 25 GLN : amide:sc= -0.694 K(o=-0.69,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0195 K(o=-0.019,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 153:sc= 1.17 (180deg=-0.459) USER MOD Single : A 36 THR OG1 : rot 8:sc= 1.06 USER MOD Single : A 37 SER OG : rot -24:sc= 0.54 USER MOD Single : A 38 CYS SG : rot -96:sc= -5.12! USER MOD Single : A 39 ASN : amide:sc= -0.421 K(o=-0.42,f=-4.5!) USER MOD Single : A 41 ASN : amide:sc= -0.73 K(o=-0.73,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.02 K(o=-2,f=-1.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 69 GLN : amide:sc= -0.0269 K(o=-0.027,f=-0.55) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= -1.26 (180deg=-1.32) USER MOD Single : A 80 ASN : amide:sc= -0.956 K(o=-0.96,f=-0.12) USER MOD Single : A 84 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.5!) USER MOD Single : A 85 GLN : amide:sc= 0.344 K(o=0.34,f=-1.4) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0891 K(o=-0.089,f=-0.68) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 95:sc= 0.163 USER MOD Single : A 101 MET CE :methyl -105:sc= -0.253 (180deg=-2.11) USER MOD Single : A 104 ASN : amide:sc= -0.133 K(o=-0.13,f=-0.74) USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= -0.0259 (180deg=-0.151) USER MOD Single : A 107 LYS NZ :NH3+ -170:sc=-0.00772 (180deg=-0.109) USER MOD Single : A 109 SER OG : rot 164:sc= 0.483 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 117 SER OG : rot 56:sc= 1.25 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0.477 (180deg=0.477) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.694 18.790 -15.573 1.00 63.54 N ATOM 2 CA MET A 1 25.692 18.853 -16.662 1.00 70.41 C ATOM 3 C MET A 1 24.778 17.629 -16.625 1.00 10.20 C ATOM 4 O MET A 1 23.595 17.722 -16.950 1.00 0.52 O ATOM 5 CB MET A 1 26.387 18.939 -18.030 1.00 61.43 C ATOM 6 CG MET A 1 27.245 20.185 -18.214 1.00 31.32 C ATOM 7 SD MET A 1 26.283 21.712 -18.158 1.00 13.40 S ATOM 8 CE MET A 1 25.234 21.518 -19.602 1.00 5.12 C ATOM 0 H1 MET A 1 27.169 19.711 -15.485 1.00 63.54 H new ATOM 0 H2 MET A 1 26.219 18.558 -14.677 1.00 63.54 H new ATOM 0 H3 MET A 1 27.398 18.057 -15.791 1.00 63.54 H new ATOM 0 HA MET A 1 25.089 19.749 -16.513 1.00 70.41 H new ATOM 0 HB2 MET A 1 27.013 18.057 -18.164 1.00 61.43 H new ATOM 0 HB3 MET A 1 25.629 18.914 -18.813 1.00 61.43 H new ATOM 0 HG2 MET A 1 28.008 20.213 -17.436 1.00 31.32 H new ATOM 0 HG3 MET A 1 27.766 20.124 -19.170 1.00 31.32 H new ATOM 0 HE1 MET A 1 24.823 22.487 -19.886 1.00 5.12 H new ATOM 0 HE2 MET A 1 25.822 21.117 -20.428 1.00 5.12 H new ATOM 0 HE3 MET A 1 24.419 20.832 -19.370 1.00 5.12 H new ATOM 20 N ALA A 2 25.330 16.486 -16.223 1.00 30.01 N ATOM 21 CA ALA A 2 24.577 15.234 -16.167 1.00 1.12 C ATOM 22 C ALA A 2 23.787 15.127 -14.860 1.00 63.40 C ATOM 23 O ALA A 2 23.667 16.102 -14.118 1.00 44.12 O ATOM 24 CB ALA A 2 25.528 14.050 -16.316 1.00 25.50 C ATOM 0 H ALA A 2 26.303 16.401 -15.929 1.00 30.01 H new ATOM 0 HA ALA A 2 23.863 15.222 -16.991 1.00 1.12 H new ATOM 0 HB1 ALA A 2 24.961 13.120 -16.273 1.00 25.50 H new ATOM 0 HB2 ALA A 2 26.045 14.116 -17.274 1.00 25.50 H new ATOM 0 HB3 ALA A 2 26.259 14.066 -15.508 1.00 25.50 H new ATOM 30 N HIS A 3 23.235 13.936 -14.606 1.00 62.23 N ATOM 31 CA HIS A 3 22.495 13.641 -13.373 1.00 51.13 C ATOM 32 C HIS A 3 21.147 14.361 -13.330 1.00 35.43 C ATOM 33 O HIS A 3 20.463 14.347 -12.307 1.00 70.42 O ATOM 34 CB HIS A 3 23.329 13.977 -12.122 1.00 23.40 C ATOM 35 CG HIS A 3 24.437 13.003 -11.853 1.00 10.11 C ATOM 36 ND1 HIS A 3 24.917 12.744 -10.585 1.00 54.14 N ATOM 37 CD2 HIS A 3 25.155 12.216 -12.690 1.00 61.45 C ATOM 38 CE1 HIS A 3 25.877 11.844 -10.656 1.00 10.53 C ATOM 39 NE2 HIS A 3 26.043 11.509 -11.919 1.00 21.22 N ATOM 0 H HIS A 3 23.288 13.147 -15.251 1.00 62.23 H new ATOM 0 HA HIS A 3 22.298 12.569 -13.373 1.00 51.13 H new ATOM 0 HB2 HIS A 3 23.754 14.974 -12.238 1.00 23.40 H new ATOM 0 HB3 HIS A 3 22.669 14.011 -11.255 1.00 23.40 H new ATOM 0 HD2 HIS A 3 25.048 12.156 -13.763 1.00 61.45 H new ATOM 0 HE1 HIS A 3 26.434 11.448 -9.820 1.00 10.53 H new ATOM 0 HE2 HIS A 3 26.722 10.833 -12.268 1.00 21.22 H new ATOM 48 N HIS A 4 20.745 14.955 -14.455 1.00 42.31 N ATOM 49 CA HIS A 4 19.448 15.628 -14.545 1.00 14.01 C ATOM 50 C HIS A 4 18.352 14.610 -14.871 1.00 14.10 C ATOM 51 O HIS A 4 17.595 14.759 -15.832 1.00 30.45 O ATOM 52 CB HIS A 4 19.482 16.779 -15.577 1.00 15.45 C ATOM 53 CG HIS A 4 19.993 16.400 -16.941 1.00 24.34 C ATOM 54 ND1 HIS A 4 21.113 16.976 -17.508 1.00 64.34 N ATOM 55 CD2 HIS A 4 19.524 15.525 -17.864 1.00 20.41 C ATOM 56 CE1 HIS A 4 21.307 16.472 -18.711 1.00 2.35 C ATOM 57 NE2 HIS A 4 20.358 15.589 -18.950 1.00 34.30 N ATOM 0 H HIS A 4 21.296 14.984 -15.313 1.00 42.31 H new ATOM 0 HA HIS A 4 19.221 16.077 -13.578 1.00 14.01 H new ATOM 0 HB2 HIS A 4 18.474 17.181 -15.683 1.00 15.45 H new ATOM 0 HB3 HIS A 4 20.106 17.581 -15.183 1.00 15.45 H new ATOM 0 HD1 HIS A 4 21.700 17.683 -17.064 1.00 64.34 H new ATOM 0 HD2 HIS A 4 18.654 14.894 -17.762 1.00 20.41 H new ATOM 0 HE1 HIS A 4 22.107 16.738 -19.386 1.00 2.35 H new ATOM 66 N HIS A 5 18.293 13.570 -14.044 1.00 42.44 N ATOM 67 CA HIS A 5 17.350 12.466 -14.213 1.00 23.13 C ATOM 68 C HIS A 5 15.901 12.963 -14.291 1.00 70.20 C ATOM 69 O HIS A 5 15.313 13.366 -13.284 1.00 31.41 O ATOM 70 CB HIS A 5 17.508 11.462 -13.053 1.00 1.44 C ATOM 71 CG HIS A 5 17.277 12.053 -11.685 1.00 1.31 C ATOM 72 ND1 HIS A 5 16.699 11.353 -10.643 1.00 35.30 N ATOM 73 CD2 HIS A 5 17.549 13.286 -11.194 1.00 31.11 C ATOM 74 CE1 HIS A 5 16.623 12.136 -9.580 1.00 50.52 C ATOM 75 NE2 HIS A 5 17.133 13.313 -9.889 1.00 63.54 N ATOM 0 H HIS A 5 18.902 13.468 -13.232 1.00 42.44 H new ATOM 0 HA HIS A 5 17.578 11.971 -15.157 1.00 23.13 H new ATOM 0 HB2 HIS A 5 16.810 10.639 -13.203 1.00 1.44 H new ATOM 0 HB3 HIS A 5 18.512 11.039 -13.088 1.00 1.44 H new ATOM 0 HD2 HIS A 5 18.010 14.100 -11.734 1.00 31.11 H new ATOM 0 HE1 HIS A 5 16.213 11.859 -8.620 1.00 50.52 H new ATOM 0 HE2 HIS A 5 17.206 14.112 -9.259 1.00 63.54 H new ATOM 84 N HIS A 6 15.333 12.940 -15.494 1.00 3.34 N ATOM 85 CA HIS A 6 13.940 13.338 -15.697 1.00 52.24 C ATOM 86 C HIS A 6 13.031 12.154 -15.392 1.00 12.40 C ATOM 87 O HIS A 6 12.059 12.264 -14.640 1.00 13.21 O ATOM 88 CB HIS A 6 13.700 13.808 -17.141 1.00 73.33 C ATOM 89 CG HIS A 6 14.629 14.888 -17.601 1.00 50.54 C ATOM 90 ND1 HIS A 6 14.522 16.199 -17.201 1.00 41.45 N ATOM 91 CD2 HIS A 6 15.686 14.843 -18.445 1.00 52.53 C ATOM 92 CE1 HIS A 6 15.467 16.912 -17.776 1.00 73.22 C ATOM 93 NE2 HIS A 6 16.192 16.116 -18.539 1.00 72.33 N ATOM 0 H HIS A 6 15.815 12.650 -16.345 1.00 3.34 H new ATOM 0 HA HIS A 6 13.717 14.168 -15.027 1.00 52.24 H new ATOM 0 HB2 HIS A 6 13.797 12.953 -17.810 1.00 73.33 H new ATOM 0 HB3 HIS A 6 12.674 14.166 -17.228 1.00 73.33 H new ATOM 0 HD2 HIS A 6 16.062 13.967 -18.952 1.00 52.53 H new ATOM 0 HE1 HIS A 6 15.623 17.973 -17.645 1.00 73.22 H new ATOM 0 HE2 HIS A 6 16.993 16.399 -19.103 1.00 72.33 H new ATOM 102 N HIS A 7 13.373 11.013 -15.979 1.00 61.03 N ATOM 103 CA HIS A 7 12.622 9.778 -15.794 1.00 40.20 C ATOM 104 C HIS A 7 13.564 8.693 -15.273 1.00 20.23 C ATOM 105 O HIS A 7 14.381 8.152 -16.022 1.00 2.15 O ATOM 106 CB HIS A 7 11.970 9.361 -17.122 1.00 34.15 C ATOM 107 CG HIS A 7 10.962 8.258 -16.990 1.00 63.23 C ATOM 108 ND1 HIS A 7 9.710 8.450 -16.447 1.00 11.21 N ATOM 109 CD2 HIS A 7 11.019 6.949 -17.336 1.00 72.11 C ATOM 110 CE1 HIS A 7 9.046 7.311 -16.460 1.00 52.15 C ATOM 111 NE2 HIS A 7 9.817 6.385 -16.996 1.00 50.42 N ATOM 0 H HIS A 7 14.179 10.918 -16.597 1.00 61.03 H new ATOM 0 HA HIS A 7 11.827 9.928 -15.064 1.00 40.20 H new ATOM 0 HB2 HIS A 7 11.485 10.231 -17.565 1.00 34.15 H new ATOM 0 HB3 HIS A 7 12.750 9.044 -17.814 1.00 34.15 H new ATOM 0 HD2 HIS A 7 11.856 6.444 -17.795 1.00 72.11 H new ATOM 0 HE1 HIS A 7 8.041 7.162 -16.094 1.00 52.15 H new ATOM 0 HE2 HIS A 7 9.560 5.408 -17.135 1.00 50.42 H new ATOM 120 N HIS A 8 13.466 8.403 -13.979 1.00 64.13 N ATOM 121 CA HIS A 8 14.391 7.480 -13.315 1.00 71.31 C ATOM 122 C HIS A 8 13.786 6.079 -13.210 1.00 50.34 C ATOM 123 O HIS A 8 12.690 5.833 -13.710 1.00 55.32 O ATOM 124 CB HIS A 8 14.762 8.013 -11.922 1.00 2.33 C ATOM 125 CG HIS A 8 13.604 8.114 -10.971 1.00 3.04 C ATOM 126 ND1 HIS A 8 12.696 9.148 -10.991 1.00 1.24 N ATOM 127 CD2 HIS A 8 13.222 7.307 -9.956 1.00 5.43 C ATOM 128 CE1 HIS A 8 11.812 8.972 -10.031 1.00 42.42 C ATOM 129 NE2 HIS A 8 12.106 7.861 -9.380 1.00 32.40 N ATOM 0 H HIS A 8 12.753 8.794 -13.364 1.00 64.13 H new ATOM 0 HA HIS A 8 15.297 7.410 -13.917 1.00 71.31 H new ATOM 0 HB2 HIS A 8 15.519 7.361 -11.486 1.00 2.33 H new ATOM 0 HB3 HIS A 8 15.214 8.999 -12.031 1.00 2.33 H new ATOM 0 HD2 HIS A 8 13.708 6.391 -9.653 1.00 5.43 H new ATOM 0 HE1 HIS A 8 10.983 9.628 -9.812 1.00 42.42 H new ATOM 0 HE2 HIS A 8 11.592 7.480 -8.586 1.00 32.40 H new ATOM 138 N MET A 9 14.517 5.166 -12.572 1.00 61.12 N ATOM 139 CA MET A 9 14.057 3.790 -12.376 1.00 4.22 C ATOM 140 C MET A 9 14.675 3.210 -11.102 1.00 35.44 C ATOM 141 O MET A 9 15.702 3.703 -10.623 1.00 25.14 O ATOM 142 CB MET A 9 14.436 2.925 -13.591 1.00 54.52 C ATOM 143 CG MET A 9 13.942 1.483 -13.506 1.00 11.10 C ATOM 144 SD MET A 9 14.475 0.468 -14.902 1.00 32.30 S ATOM 145 CE MET A 9 13.699 1.330 -16.270 1.00 72.45 C ATOM 0 H MET A 9 15.439 5.356 -12.178 1.00 61.12 H new ATOM 0 HA MET A 9 12.972 3.791 -12.274 1.00 4.22 H new ATOM 0 HB2 MET A 9 14.030 3.385 -14.492 1.00 54.52 H new ATOM 0 HB3 MET A 9 15.521 2.921 -13.697 1.00 54.52 H new ATOM 0 HG2 MET A 9 14.303 1.035 -12.580 1.00 11.10 H new ATOM 0 HG3 MET A 9 12.853 1.481 -13.457 1.00 11.10 H new ATOM 0 HE1 MET A 9 13.675 0.679 -17.144 1.00 72.45 H new ATOM 0 HE2 MET A 9 12.681 1.606 -15.995 1.00 72.45 H new ATOM 0 HE3 MET A 9 14.269 2.229 -16.503 1.00 72.45 H new ATOM 155 N GLY A 10 14.039 2.179 -10.547 1.00 12.11 N ATOM 156 CA GLY A 10 14.563 1.511 -9.367 1.00 34.01 C ATOM 157 C GLY A 10 14.681 0.015 -9.584 1.00 34.30 C ATOM 158 O GLY A 10 13.689 -0.648 -9.879 1.00 10.53 O ATOM 0 H GLY A 10 13.163 1.792 -10.898 1.00 12.11 H new ATOM 0 HA2 GLY A 10 15.541 1.922 -9.119 1.00 34.01 H new ATOM 0 HA3 GLY A 10 13.910 1.706 -8.516 1.00 34.01 H new ATOM 162 N THR A 11 15.893 -0.510 -9.446 1.00 13.30 N ATOM 163 CA THR A 11 16.153 -1.929 -9.652 1.00 52.03 C ATOM 164 C THR A 11 15.501 -2.777 -8.549 1.00 71.11 C ATOM 165 O THR A 11 15.313 -2.307 -7.424 1.00 50.31 O ATOM 166 CB THR A 11 17.677 -2.189 -9.692 1.00 2.50 C ATOM 167 OG1 THR A 11 18.290 -1.279 -10.621 1.00 62.21 O ATOM 168 CG2 THR A 11 17.993 -3.625 -10.104 1.00 1.11 C ATOM 0 H THR A 11 16.718 0.032 -9.190 1.00 13.30 H new ATOM 0 HA THR A 11 15.715 -2.220 -10.607 1.00 52.03 H new ATOM 0 HB THR A 11 18.074 -2.032 -8.689 1.00 2.50 H new ATOM 0 HG1 THR A 11 19.256 -1.440 -10.647 1.00 62.21 H new ATOM 0 HG21 THR A 11 19.073 -3.769 -10.121 1.00 1.11 H new ATOM 0 HG22 THR A 11 17.546 -4.315 -9.389 1.00 1.11 H new ATOM 0 HG23 THR A 11 17.586 -3.817 -11.097 1.00 1.11 H new ATOM 176 N LEU A 12 15.146 -4.019 -8.885 1.00 34.43 N ATOM 177 CA LEU A 12 14.521 -4.935 -7.929 1.00 44.12 C ATOM 178 C LEU A 12 15.524 -5.345 -6.846 1.00 54.43 C ATOM 179 O LEU A 12 16.230 -6.346 -6.990 1.00 50.01 O ATOM 180 CB LEU A 12 13.971 -6.191 -8.639 1.00 52.34 C ATOM 181 CG LEU A 12 12.771 -5.972 -9.584 1.00 74.32 C ATOM 182 CD1 LEU A 12 13.167 -5.146 -10.805 1.00 45.23 C ATOM 183 CD2 LEU A 12 12.173 -7.314 -10.013 1.00 40.11 C ATOM 0 H LEU A 12 15.281 -4.414 -9.815 1.00 34.43 H new ATOM 0 HA LEU A 12 13.687 -4.411 -7.462 1.00 44.12 H new ATOM 0 HB2 LEU A 12 14.781 -6.642 -9.213 1.00 52.34 H new ATOM 0 HB3 LEU A 12 13.679 -6.914 -7.878 1.00 52.34 H new ATOM 0 HG LEU A 12 12.013 -5.412 -9.036 1.00 74.32 H new ATOM 0 HD11 LEU A 12 12.299 -5.010 -11.450 1.00 45.23 H new ATOM 0 HD12 LEU A 12 13.535 -4.172 -10.482 1.00 45.23 H new ATOM 0 HD13 LEU A 12 13.951 -5.665 -11.357 1.00 45.23 H new ATOM 0 HD21 LEU A 12 11.328 -7.140 -10.679 1.00 40.11 H new ATOM 0 HD22 LEU A 12 12.930 -7.900 -10.534 1.00 40.11 H new ATOM 0 HD23 LEU A 12 11.834 -7.860 -9.132 1.00 40.11 H new ATOM 195 N GLU A 13 15.603 -4.553 -5.782 1.00 2.24 N ATOM 196 CA GLU A 13 16.517 -4.832 -4.678 1.00 54.21 C ATOM 197 C GLU A 13 15.844 -5.701 -3.615 1.00 34.22 C ATOM 198 O GLU A 13 15.390 -5.201 -2.582 1.00 53.21 O ATOM 199 CB GLU A 13 17.030 -3.527 -4.048 1.00 12.04 C ATOM 200 CG GLU A 13 17.801 -2.639 -5.015 1.00 15.00 C ATOM 201 CD GLU A 13 18.359 -1.391 -4.352 1.00 50.34 C ATOM 202 OE1 GLU A 13 19.492 -1.446 -3.823 1.00 11.00 O ATOM 203 OE2 GLU A 13 17.681 -0.344 -4.369 1.00 4.31 O ATOM 0 H GLU A 13 15.043 -3.709 -5.660 1.00 2.24 H new ATOM 0 HA GLU A 13 17.368 -5.380 -5.083 1.00 54.21 H new ATOM 0 HB2 GLU A 13 16.182 -2.967 -3.653 1.00 12.04 H new ATOM 0 HB3 GLU A 13 17.673 -3.771 -3.202 1.00 12.04 H new ATOM 0 HG2 GLU A 13 18.620 -3.210 -5.451 1.00 15.00 H new ATOM 0 HG3 GLU A 13 17.145 -2.347 -5.835 1.00 15.00 H new ATOM 210 N ALA A 14 15.762 -7.002 -3.885 1.00 72.31 N ATOM 211 CA ALA A 14 15.231 -7.958 -2.917 1.00 44.12 C ATOM 212 C ALA A 14 16.307 -8.281 -1.882 1.00 31.02 C ATOM 213 O ALA A 14 16.821 -9.402 -1.818 1.00 40.20 O ATOM 214 CB ALA A 14 14.743 -9.222 -3.622 1.00 24.12 C ATOM 0 H ALA A 14 16.057 -7.419 -4.768 1.00 72.31 H new ATOM 0 HA ALA A 14 14.375 -7.518 -2.406 1.00 44.12 H new ATOM 0 HB1 ALA A 14 14.351 -9.922 -2.884 1.00 24.12 H new ATOM 0 HB2 ALA A 14 13.956 -8.963 -4.330 1.00 24.12 H new ATOM 0 HB3 ALA A 14 15.573 -9.685 -4.156 1.00 24.12 H new ATOM 220 N GLN A 15 16.658 -7.274 -1.095 1.00 3.42 N ATOM 221 CA GLN A 15 17.781 -7.360 -0.167 1.00 61.03 C ATOM 222 C GLN A 15 17.388 -8.054 1.137 1.00 21.52 C ATOM 223 O GLN A 15 16.254 -8.514 1.295 1.00 24.20 O ATOM 224 CB GLN A 15 18.325 -5.954 0.120 1.00 14.21 C ATOM 225 CG GLN A 15 18.912 -5.259 -1.109 1.00 21.22 C ATOM 226 CD GLN A 15 20.066 -6.035 -1.732 1.00 42.42 C ATOM 227 OE1 GLN A 15 20.800 -6.744 -1.043 1.00 72.32 O ATOM 228 NE2 GLN A 15 20.231 -5.912 -3.040 1.00 43.22 N ATOM 0 H GLN A 15 16.175 -6.376 -1.080 1.00 3.42 H new ATOM 0 HA GLN A 15 18.559 -7.963 -0.635 1.00 61.03 H new ATOM 0 HB2 GLN A 15 17.521 -5.339 0.525 1.00 14.21 H new ATOM 0 HB3 GLN A 15 19.094 -6.022 0.890 1.00 14.21 H new ATOM 0 HG2 GLN A 15 18.127 -5.124 -1.853 1.00 21.22 H new ATOM 0 HG3 GLN A 15 19.259 -4.265 -0.827 1.00 21.22 H new ATOM 0 HE21 GLN A 15 19.604 -5.316 -3.579 1.00 43.22 H new ATOM 0 HE22 GLN A 15 20.986 -6.414 -3.508 1.00 43.22 H new ATOM 237 N THR A 16 18.341 -8.120 2.066 1.00 51.15 N ATOM 238 CA THR A 16 18.134 -8.764 3.356 1.00 45.52 C ATOM 239 C THR A 16 17.328 -7.860 4.295 1.00 64.14 C ATOM 240 O THR A 16 16.837 -6.803 3.883 1.00 14.21 O ATOM 241 CB THR A 16 19.494 -9.125 4.001 1.00 14.00 C ATOM 242 OG1 THR A 16 20.349 -7.971 4.024 1.00 31.34 O ATOM 243 CG2 THR A 16 20.183 -10.253 3.239 1.00 23.42 C ATOM 0 H THR A 16 19.275 -7.729 1.943 1.00 51.15 H new ATOM 0 HA THR A 16 17.567 -9.680 3.191 1.00 45.52 H new ATOM 0 HB THR A 16 19.304 -9.462 5.020 1.00 14.00 H new ATOM 0 HG1 THR A 16 21.207 -8.207 4.435 1.00 31.34 H new ATOM 0 HG21 THR A 16 21.136 -10.485 3.715 1.00 23.42 H new ATOM 0 HG22 THR A 16 19.548 -11.139 3.248 1.00 23.42 H new ATOM 0 HG23 THR A 16 20.358 -9.942 2.209 1.00 23.42 H new ATOM 251 N GLN A 17 17.197 -8.270 5.555 1.00 62.42 N ATOM 252 CA GLN A 17 16.412 -7.515 6.524 1.00 1.04 C ATOM 253 C GLN A 17 17.116 -6.204 6.881 1.00 43.13 C ATOM 254 O GLN A 17 17.950 -6.156 7.792 1.00 53.34 O ATOM 255 CB GLN A 17 16.148 -8.350 7.787 1.00 61.23 C ATOM 256 CG GLN A 17 15.227 -7.668 8.800 1.00 72.21 C ATOM 257 CD GLN A 17 14.934 -8.525 10.024 1.00 71.44 C ATOM 258 OE1 GLN A 17 13.852 -8.435 10.614 1.00 4.21 O ATOM 259 NE2 GLN A 17 15.892 -9.345 10.427 1.00 42.53 N ATOM 0 H GLN A 17 17.624 -9.119 5.926 1.00 62.42 H new ATOM 0 HA GLN A 17 15.450 -7.277 6.070 1.00 1.04 H new ATOM 0 HB2 GLN A 17 15.708 -9.303 7.495 1.00 61.23 H new ATOM 0 HB3 GLN A 17 17.100 -8.573 8.269 1.00 61.23 H new ATOM 0 HG2 GLN A 17 15.683 -6.732 9.122 1.00 72.21 H new ATOM 0 HG3 GLN A 17 14.287 -7.413 8.311 1.00 72.21 H new ATOM 0 HE21 GLN A 17 16.772 -9.392 9.914 1.00 42.53 H new ATOM 0 HE22 GLN A 17 15.750 -9.930 11.250 1.00 42.53 H new ATOM 268 N GLY A 18 16.812 -5.164 6.112 1.00 51.41 N ATOM 269 CA GLY A 18 17.300 -3.827 6.395 1.00 42.41 C ATOM 270 C GLY A 18 16.160 -2.919 6.819 1.00 33.15 C ATOM 271 O GLY A 18 15.175 -2.792 6.089 1.00 12.13 O ATOM 0 H GLY A 18 16.224 -5.227 5.281 1.00 51.41 H new ATOM 0 HA2 GLY A 18 18.052 -3.868 7.183 1.00 42.41 H new ATOM 0 HA3 GLY A 18 17.788 -3.418 5.510 1.00 42.41 H new ATOM 275 N PRO A 19 16.250 -2.288 8.005 1.00 73.55 N ATOM 276 CA PRO A 19 15.162 -1.461 8.544 1.00 42.21 C ATOM 277 C PRO A 19 15.015 -0.120 7.818 1.00 70.53 C ATOM 278 O PRO A 19 16.004 0.552 7.510 1.00 12.13 O ATOM 279 CB PRO A 19 15.575 -1.250 10.007 1.00 42.30 C ATOM 280 CG PRO A 19 17.065 -1.327 9.987 1.00 52.11 C ATOM 281 CD PRO A 19 17.417 -2.325 8.911 1.00 2.50 C ATOM 0 HA PRO A 19 14.190 -1.940 8.424 1.00 42.21 H new ATOM 0 HB2 PRO A 19 15.232 -0.286 10.382 1.00 42.30 H new ATOM 0 HB3 PRO A 19 15.146 -2.014 10.655 1.00 42.30 H new ATOM 0 HG2 PRO A 19 17.503 -0.352 9.773 1.00 52.11 H new ATOM 0 HG3 PRO A 19 17.452 -1.645 10.955 1.00 52.11 H new ATOM 0 HD2 PRO A 19 18.335 -2.048 8.393 1.00 2.50 H new ATOM 0 HD3 PRO A 19 17.572 -3.322 9.324 1.00 2.50 H new ATOM 289 N GLY A 20 13.771 0.250 7.547 1.00 3.53 N ATOM 290 CA GLY A 20 13.461 1.538 6.953 1.00 4.40 C ATOM 291 C GLY A 20 12.012 1.901 7.197 1.00 13.12 C ATOM 292 O GLY A 20 11.301 2.329 6.284 1.00 41.04 O ATOM 0 H GLY A 20 12.954 -0.332 7.732 1.00 3.53 H new ATOM 0 HA2 GLY A 20 14.110 2.305 7.375 1.00 4.40 H new ATOM 0 HA3 GLY A 20 13.659 1.508 5.882 1.00 4.40 H new ATOM 296 N SER A 21 11.581 1.713 8.442 1.00 31.22 N ATOM 297 CA SER A 21 10.180 1.855 8.819 1.00 12.04 C ATOM 298 C SER A 21 9.643 3.258 8.538 1.00 75.41 C ATOM 299 O SER A 21 9.714 4.153 9.381 1.00 43.42 O ATOM 300 CB SER A 21 10.002 1.486 10.293 1.00 62.42 C ATOM 301 OG SER A 21 10.487 0.175 10.541 1.00 22.41 O ATOM 0 H SER A 21 12.194 1.458 9.216 1.00 31.22 H new ATOM 0 HA SER A 21 9.597 1.170 8.203 1.00 12.04 H new ATOM 0 HB2 SER A 21 10.535 2.201 10.920 1.00 62.42 H new ATOM 0 HB3 SER A 21 8.948 1.547 10.564 1.00 62.42 H new ATOM 0 HG SER A 21 10.181 -0.427 9.831 1.00 22.41 H new ATOM 307 N MET A 22 9.134 3.433 7.327 1.00 53.33 N ATOM 308 CA MET A 22 8.456 4.658 6.924 1.00 24.02 C ATOM 309 C MET A 22 7.059 4.314 6.423 1.00 42.24 C ATOM 310 O MET A 22 6.403 5.107 5.749 1.00 54.33 O ATOM 311 CB MET A 22 9.264 5.374 5.836 1.00 34.21 C ATOM 312 CG MET A 22 9.444 4.568 4.557 1.00 35.32 C ATOM 313 SD MET A 22 10.598 5.355 3.417 1.00 12.20 S ATOM 314 CE MET A 22 9.890 6.993 3.289 1.00 70.23 C ATOM 0 H MET A 22 9.180 2.727 6.593 1.00 53.33 H new ATOM 0 HA MET A 22 8.371 5.330 7.778 1.00 24.02 H new ATOM 0 HB2 MET A 22 8.770 6.314 5.592 1.00 34.21 H new ATOM 0 HB3 MET A 22 10.247 5.624 6.235 1.00 34.21 H new ATOM 0 HG2 MET A 22 9.804 3.570 4.806 1.00 35.32 H new ATOM 0 HG3 MET A 22 8.478 4.445 4.067 1.00 35.32 H new ATOM 0 HE1 MET A 22 10.308 7.503 2.421 1.00 70.23 H new ATOM 0 HE2 MET A 22 8.809 6.914 3.177 1.00 70.23 H new ATOM 0 HE3 MET A 22 10.121 7.561 4.190 1.00 70.23 H new ATOM 324 N ILE A 23 6.619 3.105 6.767 1.00 71.41 N ATOM 325 CA ILE A 23 5.301 2.614 6.389 1.00 62.32 C ATOM 326 C ILE A 23 4.247 3.184 7.338 1.00 24.30 C ATOM 327 O ILE A 23 4.155 2.765 8.498 1.00 1.22 O ATOM 328 CB ILE A 23 5.242 1.066 6.430 1.00 62.23 C ATOM 329 CG1 ILE A 23 6.414 0.452 5.640 1.00 70.22 C ATOM 330 CG2 ILE A 23 3.904 0.569 5.885 1.00 1.20 C ATOM 331 CD1 ILE A 23 6.442 0.829 4.173 1.00 13.31 C ATOM 0 H ILE A 23 7.167 2.442 7.315 1.00 71.41 H new ATOM 0 HA ILE A 23 5.101 2.939 5.368 1.00 62.32 H new ATOM 0 HB ILE A 23 5.331 0.747 7.468 1.00 62.23 H new ATOM 0 HG12 ILE A 23 7.351 0.764 6.101 1.00 70.22 H new ATOM 0 HG13 ILE A 23 6.364 -0.634 5.723 1.00 70.22 H new ATOM 0 HG21 ILE A 23 3.879 -0.520 5.921 1.00 1.20 H new ATOM 0 HG22 ILE A 23 3.092 0.971 6.491 1.00 1.20 H new ATOM 0 HG23 ILE A 23 3.785 0.901 4.854 1.00 1.20 H new ATOM 0 HD11 ILE A 23 7.298 0.355 3.692 1.00 13.31 H new ATOM 0 HD12 ILE A 23 5.523 0.492 3.693 1.00 13.31 H new ATOM 0 HD13 ILE A 23 6.526 1.912 4.077 1.00 13.31 H new ATOM 343 N GLU A 24 3.459 4.126 6.836 1.00 34.35 N ATOM 344 CA GLU A 24 2.517 4.883 7.660 1.00 22.52 C ATOM 345 C GLU A 24 1.448 3.976 8.280 1.00 62.44 C ATOM 346 O GLU A 24 1.106 2.924 7.734 1.00 24.04 O ATOM 347 CB GLU A 24 1.861 5.984 6.812 1.00 61.42 C ATOM 348 CG GLU A 24 0.919 6.901 7.589 1.00 72.20 C ATOM 349 CD GLU A 24 1.611 7.653 8.717 1.00 13.52 C ATOM 350 OE1 GLU A 24 2.272 8.672 8.442 1.00 54.33 O ATOM 351 OE2 GLU A 24 1.483 7.231 9.887 1.00 32.02 O ATOM 0 H GLU A 24 3.452 4.388 5.850 1.00 34.35 H new ATOM 0 HA GLU A 24 3.072 5.337 8.481 1.00 22.52 H new ATOM 0 HB2 GLU A 24 2.644 6.590 6.356 1.00 61.42 H new ATOM 0 HB3 GLU A 24 1.305 5.517 5.999 1.00 61.42 H new ATOM 0 HG2 GLU A 24 0.473 7.620 6.902 1.00 72.20 H new ATOM 0 HG3 GLU A 24 0.104 6.308 8.003 1.00 72.20 H new ATOM 358 N GLN A 25 0.929 4.401 9.428 1.00 33.12 N ATOM 359 CA GLN A 25 -0.112 3.673 10.147 1.00 3.30 C ATOM 360 C GLN A 25 -1.312 4.596 10.384 1.00 72.45 C ATOM 361 O GLN A 25 -1.164 5.693 10.929 1.00 51.35 O ATOM 362 CB GLN A 25 0.447 3.137 11.475 1.00 51.51 C ATOM 363 CG GLN A 25 1.151 4.193 12.326 1.00 30.13 C ATOM 364 CD GLN A 25 1.615 3.669 13.677 1.00 53.10 C ATOM 365 OE1 GLN A 25 1.681 4.417 14.654 1.00 50.04 O ATOM 366 NE2 GLN A 25 1.953 2.389 13.748 1.00 35.12 N ATOM 0 H GLN A 25 1.220 5.264 9.888 1.00 33.12 H new ATOM 0 HA GLN A 25 -0.444 2.822 9.552 1.00 3.30 H new ATOM 0 HB2 GLN A 25 -0.370 2.705 12.053 1.00 51.51 H new ATOM 0 HB3 GLN A 25 1.148 2.330 11.263 1.00 51.51 H new ATOM 0 HG2 GLN A 25 2.012 4.576 11.778 1.00 30.13 H new ATOM 0 HG3 GLN A 25 0.474 5.033 12.483 1.00 30.13 H new ATOM 0 HE21 GLN A 25 1.886 1.797 12.920 1.00 35.12 H new ATOM 0 HE22 GLN A 25 2.280 1.996 14.631 1.00 35.12 H new ATOM 375 N ILE A 26 -2.494 4.159 9.958 1.00 33.52 N ATOM 376 CA ILE A 26 -3.690 5.005 9.993 1.00 25.35 C ATOM 377 C ILE A 26 -4.903 4.236 10.522 1.00 53.42 C ATOM 378 O ILE A 26 -4.929 3.006 10.492 1.00 12.33 O ATOM 379 CB ILE A 26 -4.006 5.560 8.580 1.00 73.42 C ATOM 380 CG1 ILE A 26 -4.255 4.406 7.590 1.00 4.53 C ATOM 381 CG2 ILE A 26 -2.861 6.449 8.093 1.00 53.22 C ATOM 382 CD1 ILE A 26 -4.546 4.857 6.173 1.00 73.42 C ATOM 0 H ILE A 26 -2.652 3.223 9.584 1.00 33.52 H new ATOM 0 HA ILE A 26 -3.483 5.834 10.670 1.00 25.35 H new ATOM 0 HB ILE A 26 -4.913 6.162 8.637 1.00 73.42 H new ATOM 0 HG12 ILE A 26 -3.381 3.755 7.580 1.00 4.53 H new ATOM 0 HG13 ILE A 26 -5.093 3.808 7.949 1.00 4.53 H new ATOM 0 HG21 ILE A 26 -3.095 6.832 7.100 1.00 53.22 H new ATOM 0 HG22 ILE A 26 -2.730 7.283 8.782 1.00 53.22 H new ATOM 0 HG23 ILE A 26 -1.941 5.866 8.049 1.00 53.22 H new ATOM 0 HD11 ILE A 26 -4.709 3.985 5.540 1.00 73.42 H new ATOM 0 HD12 ILE A 26 -5.439 5.483 6.166 1.00 73.42 H new ATOM 0 HD13 ILE A 26 -3.700 5.428 5.792 1.00 73.42 H new ATOM 394 N GLY A 27 -5.896 4.973 11.019 1.00 54.54 N ATOM 395 CA GLY A 27 -7.118 4.362 11.517 1.00 65.35 C ATOM 396 C GLY A 27 -8.115 4.070 10.407 1.00 14.21 C ATOM 397 O GLY A 27 -7.858 4.368 9.239 1.00 74.35 O ATOM 0 H GLY A 27 -5.874 5.991 11.085 1.00 54.54 H new ATOM 0 HA2 GLY A 27 -6.872 3.434 12.034 1.00 65.35 H new ATOM 0 HA3 GLY A 27 -7.579 5.024 12.251 1.00 65.35 H new ATOM 401 N ASP A 28 -9.265 3.509 10.784 1.00 3.02 N ATOM 402 CA ASP A 28 -10.309 3.116 9.829 1.00 31.15 C ATOM 403 C ASP A 28 -10.794 4.314 9.010 1.00 72.31 C ATOM 404 O ASP A 28 -10.738 4.308 7.778 1.00 30.12 O ATOM 405 CB ASP A 28 -11.493 2.487 10.579 1.00 22.51 C ATOM 406 CG ASP A 28 -12.707 2.232 9.689 1.00 71.32 C ATOM 407 OD1 ASP A 28 -12.706 1.242 8.929 1.00 41.14 O ATOM 408 OD2 ASP A 28 -13.679 3.019 9.759 1.00 34.22 O ATOM 0 H ASP A 28 -9.501 3.314 11.757 1.00 3.02 H new ATOM 0 HA ASP A 28 -9.880 2.386 9.142 1.00 31.15 H new ATOM 0 HB2 ASP A 28 -11.173 1.545 11.023 1.00 22.51 H new ATOM 0 HB3 ASP A 28 -11.784 3.143 11.399 1.00 22.51 H new ATOM 413 N SER A 29 -11.250 5.347 9.711 1.00 44.42 N ATOM 414 CA SER A 29 -11.810 6.534 9.068 1.00 53.21 C ATOM 415 C SER A 29 -10.728 7.341 8.351 1.00 4.31 C ATOM 416 O SER A 29 -11.024 8.195 7.515 1.00 65.31 O ATOM 417 CB SER A 29 -12.506 7.408 10.115 1.00 23.03 C ATOM 418 OG SER A 29 -13.449 6.657 10.861 1.00 53.41 O ATOM 0 H SER A 29 -11.243 5.387 10.730 1.00 44.42 H new ATOM 0 HA SER A 29 -12.535 6.208 8.322 1.00 53.21 H new ATOM 0 HB2 SER A 29 -11.763 7.836 10.788 1.00 23.03 H new ATOM 0 HB3 SER A 29 -13.008 8.241 9.623 1.00 23.03 H new ATOM 0 HG SER A 29 -13.878 7.237 11.524 1.00 53.41 H new ATOM 424 N GLU A 30 -9.473 7.056 8.675 1.00 23.24 N ATOM 425 CA GLU A 30 -8.349 7.801 8.126 1.00 54.51 C ATOM 426 C GLU A 30 -7.930 7.254 6.768 1.00 63.31 C ATOM 427 O GLU A 30 -7.139 7.886 6.071 1.00 54.45 O ATOM 428 CB GLU A 30 -7.154 7.748 9.085 1.00 0.42 C ATOM 429 CG GLU A 30 -7.393 8.456 10.407 1.00 60.25 C ATOM 430 CD GLU A 30 -6.173 8.412 11.310 1.00 61.41 C ATOM 431 OE1 GLU A 30 -5.111 8.925 10.897 1.00 74.42 O ATOM 432 OE2 GLU A 30 -6.262 7.848 12.421 1.00 34.45 O ATOM 0 H GLU A 30 -9.208 6.310 9.319 1.00 23.24 H new ATOM 0 HA GLU A 30 -8.672 8.834 8.000 1.00 54.51 H new ATOM 0 HB2 GLU A 30 -6.905 6.705 9.282 1.00 0.42 H new ATOM 0 HB3 GLU A 30 -6.288 8.195 8.596 1.00 0.42 H new ATOM 0 HG2 GLU A 30 -7.665 9.494 10.217 1.00 60.25 H new ATOM 0 HG3 GLU A 30 -8.238 7.993 10.917 1.00 60.25 H new ATOM 439 N PHE A 31 -8.458 6.093 6.394 1.00 42.54 N ATOM 440 CA PHE A 31 -8.029 5.413 5.173 1.00 54.44 C ATOM 441 C PHE A 31 -8.161 6.319 3.945 1.00 55.02 C ATOM 442 O PHE A 31 -7.158 6.693 3.331 1.00 34.22 O ATOM 443 CB PHE A 31 -8.844 4.126 4.981 1.00 60.32 C ATOM 444 CG PHE A 31 -8.490 3.359 3.730 1.00 12.30 C ATOM 445 CD1 PHE A 31 -7.272 2.701 3.624 1.00 1.35 C ATOM 446 CD2 PHE A 31 -9.376 3.290 2.665 1.00 64.41 C ATOM 447 CE1 PHE A 31 -6.949 1.993 2.485 1.00 22.51 C ATOM 448 CE2 PHE A 31 -9.054 2.585 1.522 1.00 22.30 C ATOM 449 CZ PHE A 31 -7.841 1.936 1.432 1.00 40.13 C ATOM 0 H PHE A 31 -9.183 5.602 6.917 1.00 42.54 H new ATOM 0 HA PHE A 31 -6.974 5.160 5.279 1.00 54.44 H new ATOM 0 HB2 PHE A 31 -8.694 3.480 5.846 1.00 60.32 H new ATOM 0 HB3 PHE A 31 -9.904 4.379 4.952 1.00 60.32 H new ATOM 0 HD1 PHE A 31 -6.569 2.744 4.443 1.00 1.35 H new ATOM 0 HD2 PHE A 31 -10.329 3.794 2.730 1.00 64.41 H new ATOM 0 HE1 PHE A 31 -5.999 1.484 2.417 1.00 22.51 H new ATOM 0 HE2 PHE A 31 -9.752 2.542 0.699 1.00 22.30 H new ATOM 0 HZ PHE A 31 -7.588 1.384 0.539 1.00 40.13 H new ATOM 459 N ASP A 32 -9.389 6.727 3.635 1.00 70.35 N ATOM 460 CA ASP A 32 -9.646 7.552 2.450 1.00 44.31 C ATOM 461 C ASP A 32 -8.898 8.875 2.536 1.00 72.12 C ATOM 462 O ASP A 32 -8.258 9.302 1.577 1.00 62.31 O ATOM 463 CB ASP A 32 -11.150 7.813 2.275 1.00 45.10 C ATOM 464 CG ASP A 32 -11.920 6.573 1.850 1.00 13.52 C ATOM 465 OD1 ASP A 32 -12.370 5.810 2.736 1.00 2.53 O ATOM 466 OD2 ASP A 32 -12.087 6.356 0.627 1.00 64.21 O ATOM 0 H ASP A 32 -10.220 6.503 4.182 1.00 70.35 H new ATOM 0 HA ASP A 32 -9.285 7.001 1.582 1.00 44.31 H new ATOM 0 HB2 ASP A 32 -11.561 8.186 3.213 1.00 45.10 H new ATOM 0 HB3 ASP A 32 -11.294 8.596 1.531 1.00 45.10 H new ATOM 471 N ASN A 33 -8.967 9.501 3.703 1.00 14.24 N ATOM 472 CA ASN A 33 -8.356 10.812 3.923 1.00 42.24 C ATOM 473 C ASN A 33 -6.847 10.769 3.696 1.00 4.55 C ATOM 474 O ASN A 33 -6.295 11.587 2.959 1.00 73.13 O ATOM 475 CB ASN A 33 -8.668 11.316 5.339 1.00 73.13 C ATOM 476 CG ASN A 33 -10.133 11.683 5.505 1.00 33.32 C ATOM 477 OD1 ASN A 33 -10.796 12.078 4.546 1.00 73.25 O ATOM 478 ND2 ASN A 33 -10.650 11.557 6.716 1.00 33.25 N ATOM 0 H ASN A 33 -9.444 9.121 4.521 1.00 14.24 H new ATOM 0 HA ASN A 33 -8.783 11.505 3.198 1.00 42.24 H new ATOM 0 HB2 ASN A 33 -8.403 10.546 6.064 1.00 73.13 H new ATOM 0 HB3 ASN A 33 -8.050 12.186 5.558 1.00 73.13 H new ATOM 0 HD21 ASN A 33 -11.629 11.790 6.879 1.00 33.25 H new ATOM 0 HD22 ASN A 33 -10.069 11.226 7.487 1.00 33.25 H new ATOM 485 N LYS A 34 -6.188 9.800 4.316 1.00 41.02 N ATOM 486 CA LYS A 34 -4.737 9.686 4.236 1.00 42.04 C ATOM 487 C LYS A 34 -4.298 9.278 2.831 1.00 45.52 C ATOM 488 O LYS A 34 -3.250 9.716 2.358 1.00 71.13 O ATOM 489 CB LYS A 34 -4.217 8.702 5.292 1.00 1.43 C ATOM 490 CG LYS A 34 -4.345 9.226 6.725 1.00 52.40 C ATOM 491 CD LYS A 34 -3.415 10.412 6.981 1.00 23.43 C ATOM 492 CE LYS A 34 -3.549 10.959 8.401 1.00 62.41 C ATOM 493 NZ LYS A 34 -3.172 9.957 9.438 1.00 25.22 N ATOM 0 H LYS A 34 -6.636 9.079 4.882 1.00 41.02 H new ATOM 0 HA LYS A 34 -4.302 10.664 4.444 1.00 42.04 H new ATOM 0 HB2 LYS A 34 -4.765 7.764 5.205 1.00 1.43 H new ATOM 0 HB3 LYS A 34 -3.170 8.479 5.086 1.00 1.43 H new ATOM 0 HG2 LYS A 34 -5.376 9.526 6.912 1.00 52.40 H new ATOM 0 HG3 LYS A 34 -4.114 8.425 7.427 1.00 52.40 H new ATOM 0 HD2 LYS A 34 -2.383 10.106 6.808 1.00 23.43 H new ATOM 0 HD3 LYS A 34 -3.636 11.205 6.266 1.00 23.43 H new ATOM 0 HE2 LYS A 34 -2.919 11.842 8.508 1.00 62.41 H new ATOM 0 HE3 LYS A 34 -4.577 11.280 8.568 1.00 62.41 H new ATOM 0 HZ1 LYS A 34 -2.838 10.449 10.291 1.00 25.22 H new ATOM 0 HZ2 LYS A 34 -4.001 9.375 9.676 1.00 25.22 H new ATOM 0 HZ3 LYS A 34 -2.414 9.346 9.071 1.00 25.22 H new ATOM 507 N VAL A 35 -5.106 8.460 2.158 1.00 21.25 N ATOM 508 CA VAL A 35 -4.833 8.111 0.764 1.00 1.23 C ATOM 509 C VAL A 35 -4.953 9.351 -0.131 1.00 30.52 C ATOM 510 O VAL A 35 -4.115 9.585 -1.002 1.00 54.24 O ATOM 511 CB VAL A 35 -5.780 6.994 0.246 1.00 21.10 C ATOM 512 CG1 VAL A 35 -5.573 6.760 -1.251 1.00 62.02 C ATOM 513 CG2 VAL A 35 -5.563 5.695 1.029 1.00 72.22 C ATOM 0 H VAL A 35 -5.945 8.031 2.549 1.00 21.25 H new ATOM 0 HA VAL A 35 -3.813 7.729 0.722 1.00 1.23 H new ATOM 0 HB VAL A 35 -6.808 7.321 0.402 1.00 21.10 H new ATOM 0 HG11 VAL A 35 -6.246 5.974 -1.593 1.00 62.02 H new ATOM 0 HG12 VAL A 35 -5.784 7.680 -1.796 1.00 62.02 H new ATOM 0 HG13 VAL A 35 -4.541 6.459 -1.433 1.00 62.02 H new ATOM 0 HG21 VAL A 35 -6.236 4.925 0.651 1.00 72.22 H new ATOM 0 HG22 VAL A 35 -4.531 5.366 0.909 1.00 72.22 H new ATOM 0 HG23 VAL A 35 -5.768 5.868 2.085 1.00 72.22 H new ATOM 523 N THR A 36 -5.991 10.153 0.104 1.00 60.34 N ATOM 524 CA THR A 36 -6.210 11.377 -0.666 1.00 42.42 C ATOM 525 C THR A 36 -5.233 12.475 -0.236 1.00 73.41 C ATOM 526 O THR A 36 -5.012 13.445 -0.963 1.00 1.03 O ATOM 527 CB THR A 36 -7.668 11.881 -0.521 1.00 62.11 C ATOM 528 OG1 THR A 36 -8.018 12.011 0.869 1.00 62.33 O ATOM 529 CG2 THR A 36 -8.649 10.930 -1.205 1.00 24.43 C ATOM 0 H THR A 36 -6.694 9.977 0.822 1.00 60.34 H new ATOM 0 HA THR A 36 -6.032 11.138 -1.714 1.00 42.42 H new ATOM 0 HB THR A 36 -7.731 12.856 -1.004 1.00 62.11 H new ATOM 0 HG1 THR A 36 -7.221 11.870 1.422 1.00 62.33 H new ATOM 0 HG21 THR A 36 -9.664 11.308 -1.087 1.00 24.43 H new ATOM 0 HG22 THR A 36 -8.408 10.860 -2.266 1.00 24.43 H new ATOM 0 HG23 THR A 36 -8.575 9.942 -0.750 1.00 24.43 H new ATOM 537 N SER A 37 -4.648 12.311 0.951 1.00 3.35 N ATOM 538 CA SER A 37 -3.659 13.256 1.472 1.00 24.13 C ATOM 539 C SER A 37 -2.364 13.220 0.648 1.00 23.10 C ATOM 540 O SER A 37 -1.436 13.989 0.913 1.00 51.41 O ATOM 541 CB SER A 37 -3.360 12.947 2.947 1.00 44.05 C ATOM 542 OG SER A 37 -2.445 13.881 3.508 1.00 63.12 O ATOM 0 H SER A 37 -4.844 11.527 1.574 1.00 3.35 H new ATOM 0 HA SER A 37 -4.077 14.260 1.394 1.00 24.13 H new ATOM 0 HB2 SER A 37 -4.289 12.961 3.517 1.00 44.05 H new ATOM 0 HB3 SER A 37 -2.950 11.941 3.032 1.00 44.05 H new ATOM 0 HG SER A 37 -1.906 14.280 2.794 1.00 63.12 H new ATOM 548 N CYS A 38 -2.310 12.328 -0.343 1.00 62.44 N ATOM 549 CA CYS A 38 -1.157 12.226 -1.233 1.00 25.10 C ATOM 550 C CYS A 38 -0.900 13.560 -1.934 1.00 44.12 C ATOM 551 O CYS A 38 -1.835 14.320 -2.192 1.00 51.24 O ATOM 552 CB CYS A 38 -1.407 11.136 -2.276 1.00 25.22 C ATOM 553 SG CYS A 38 -2.856 11.440 -3.310 1.00 2.00 S ATOM 0 H CYS A 38 -3.056 11.664 -0.548 1.00 62.44 H new ATOM 0 HA CYS A 38 -0.280 11.969 -0.639 1.00 25.10 H new ATOM 0 HB2 CYS A 38 -0.528 11.048 -2.914 1.00 25.22 H new ATOM 0 HB3 CYS A 38 -1.529 10.180 -1.767 1.00 25.22 H new ATOM 0 HG CYS A 38 -3.877 10.798 -2.826 1.00 2.00 H new ATOM 559 N ASN A 39 0.370 13.838 -2.235 1.00 41.03 N ATOM 560 CA ASN A 39 0.755 15.080 -2.905 1.00 30.41 C ATOM 561 C ASN A 39 0.133 15.144 -4.309 1.00 71.31 C ATOM 562 O ASN A 39 -0.931 15.735 -4.493 1.00 43.22 O ATOM 563 CB ASN A 39 2.291 15.206 -2.982 1.00 21.30 C ATOM 564 CG ASN A 39 2.973 15.101 -1.625 1.00 23.41 C ATOM 565 OD1 ASN A 39 2.510 14.393 -0.733 1.00 55.12 O ATOM 566 ND2 ASN A 39 4.089 15.795 -1.468 1.00 24.13 N ATOM 0 H ASN A 39 1.151 13.217 -2.024 1.00 41.03 H new ATOM 0 HA ASN A 39 0.376 15.919 -2.321 1.00 30.41 H new ATOM 0 HB2 ASN A 39 2.680 14.427 -3.638 1.00 21.30 H new ATOM 0 HB3 ASN A 39 2.548 16.163 -3.437 1.00 21.30 H new ATOM 0 HD21 ASN A 39 4.595 15.753 -0.584 1.00 24.13 H new ATOM 0 HD22 ASN A 39 4.443 16.372 -2.231 1.00 24.13 H new ATOM 573 N ASP A 40 0.799 14.532 -5.290 1.00 61.14 N ATOM 574 CA ASP A 40 0.259 14.398 -6.642 1.00 4.31 C ATOM 575 C ASP A 40 1.019 13.302 -7.380 1.00 73.54 C ATOM 576 O ASP A 40 2.246 13.226 -7.281 1.00 11.14 O ATOM 577 CB ASP A 40 0.345 15.723 -7.417 1.00 1.34 C ATOM 578 CG ASP A 40 -0.242 15.623 -8.821 1.00 3.33 C ATOM 579 OD1 ASP A 40 -1.363 15.093 -8.970 1.00 41.02 O ATOM 580 OD2 ASP A 40 0.415 16.074 -9.784 1.00 54.43 O ATOM 0 H ASP A 40 1.723 14.118 -5.170 1.00 61.14 H new ATOM 0 HA ASP A 40 -0.795 14.130 -6.570 1.00 4.31 H new ATOM 0 HB2 ASP A 40 -0.182 16.499 -6.862 1.00 1.34 H new ATOM 0 HB3 ASP A 40 1.388 16.032 -7.485 1.00 1.34 H new ATOM 585 N ASN A 41 0.279 12.446 -8.088 1.00 15.13 N ATOM 586 CA ASN A 41 0.853 11.292 -8.801 1.00 15.41 C ATOM 587 C ASN A 41 1.440 10.278 -7.819 1.00 4.03 C ATOM 588 O ASN A 41 2.102 9.317 -8.223 1.00 63.31 O ATOM 589 CB ASN A 41 1.935 11.730 -9.807 1.00 53.42 C ATOM 590 CG ASN A 41 1.417 12.661 -10.892 1.00 54.45 C ATOM 591 OD1 ASN A 41 2.140 13.542 -11.357 1.00 64.42 O ATOM 592 ND2 ASN A 41 0.175 12.468 -11.318 1.00 15.20 N ATOM 0 H ASN A 41 -0.733 12.529 -8.186 1.00 15.13 H new ATOM 0 HA ASN A 41 0.040 10.820 -9.354 1.00 15.41 H new ATOM 0 HB2 ASN A 41 2.741 12.228 -9.267 1.00 53.42 H new ATOM 0 HB3 ASN A 41 2.364 10.844 -10.275 1.00 53.42 H new ATOM 0 HD21 ASN A 41 -0.209 13.060 -12.054 1.00 15.20 H new ATOM 0 HD22 ASN A 41 -0.395 11.728 -10.909 1.00 15.20 H new ATOM 599 N ILE A 42 1.174 10.487 -6.533 1.00 14.41 N ATOM 600 CA ILE A 42 1.714 9.634 -5.484 1.00 63.13 C ATOM 601 C ILE A 42 0.955 8.312 -5.425 1.00 72.21 C ATOM 602 O ILE A 42 -0.249 8.286 -5.157 1.00 2.11 O ATOM 603 CB ILE A 42 1.645 10.325 -4.097 1.00 35.10 C ATOM 604 CG1 ILE A 42 2.389 11.672 -4.119 1.00 73.34 C ATOM 605 CG2 ILE A 42 2.214 9.414 -3.007 1.00 11.22 C ATOM 606 CD1 ILE A 42 3.870 11.562 -4.412 1.00 63.54 C ATOM 0 H ILE A 42 0.583 11.246 -6.193 1.00 14.41 H new ATOM 0 HA ILE A 42 2.760 9.445 -5.727 1.00 63.13 H new ATOM 0 HB ILE A 42 0.597 10.518 -3.868 1.00 35.10 H new ATOM 0 HG12 ILE A 42 1.929 12.315 -4.869 1.00 73.34 H new ATOM 0 HG13 ILE A 42 2.257 12.162 -3.154 1.00 73.34 H new ATOM 0 HG21 ILE A 42 2.155 9.919 -2.043 1.00 11.22 H new ATOM 0 HG22 ILE A 42 1.638 8.490 -2.968 1.00 11.22 H new ATOM 0 HG23 ILE A 42 3.255 9.183 -3.233 1.00 11.22 H new ATOM 0 HD11 ILE A 42 4.316 12.556 -4.409 1.00 63.54 H new ATOM 0 HD12 ILE A 42 4.347 10.947 -3.649 1.00 63.54 H new ATOM 0 HD13 ILE A 42 4.014 11.103 -5.390 1.00 63.54 H new ATOM 618 N LEU A 43 1.661 7.230 -5.710 1.00 11.14 N ATOM 619 CA LEU A 43 1.110 5.892 -5.600 1.00 65.13 C ATOM 620 C LEU A 43 1.017 5.508 -4.121 1.00 62.53 C ATOM 621 O LEU A 43 2.038 5.334 -3.439 1.00 74.12 O ATOM 622 CB LEU A 43 1.986 4.888 -6.374 1.00 3.24 C ATOM 623 CG LEU A 43 1.232 3.730 -7.059 1.00 44.14 C ATOM 624 CD1 LEU A 43 2.210 2.809 -7.783 1.00 63.12 C ATOM 625 CD2 LEU A 43 0.390 2.936 -6.061 1.00 10.22 C ATOM 0 H LEU A 43 2.631 7.256 -6.024 1.00 11.14 H new ATOM 0 HA LEU A 43 0.112 5.870 -6.037 1.00 65.13 H new ATOM 0 HB2 LEU A 43 2.545 5.433 -7.135 1.00 3.24 H new ATOM 0 HB3 LEU A 43 2.716 4.464 -5.684 1.00 3.24 H new ATOM 0 HG LEU A 43 0.552 4.167 -7.790 1.00 44.14 H new ATOM 0 HD11 LEU A 43 1.660 1.998 -8.260 1.00 63.12 H new ATOM 0 HD12 LEU A 43 2.751 3.376 -8.541 1.00 63.12 H new ATOM 0 HD13 LEU A 43 2.918 2.394 -7.066 1.00 63.12 H new ATOM 0 HD21 LEU A 43 -0.126 2.129 -6.581 1.00 10.22 H new ATOM 0 HD22 LEU A 43 1.038 2.516 -5.292 1.00 10.22 H new ATOM 0 HD23 LEU A 43 -0.343 3.596 -5.597 1.00 10.22 H new ATOM 637 N ILE A 44 -0.212 5.417 -3.635 1.00 5.24 N ATOM 638 CA ILE A 44 -0.485 5.046 -2.257 1.00 73.21 C ATOM 639 C ILE A 44 -0.710 3.543 -2.156 1.00 25.31 C ATOM 640 O ILE A 44 -1.737 3.034 -2.604 1.00 43.53 O ATOM 641 CB ILE A 44 -1.739 5.780 -1.716 1.00 35.55 C ATOM 642 CG1 ILE A 44 -1.565 7.305 -1.817 1.00 64.25 C ATOM 643 CG2 ILE A 44 -2.017 5.366 -0.268 1.00 50.45 C ATOM 644 CD1 ILE A 44 -0.529 7.865 -0.866 1.00 75.34 C ATOM 0 H ILE A 44 -1.050 5.599 -4.188 1.00 5.24 H new ATOM 0 HA ILE A 44 0.378 5.336 -1.658 1.00 73.21 H new ATOM 0 HB ILE A 44 -2.594 5.494 -2.329 1.00 35.55 H new ATOM 0 HG12 ILE A 44 -1.284 7.563 -2.838 1.00 64.25 H new ATOM 0 HG13 ILE A 44 -2.524 7.785 -1.619 1.00 64.25 H new ATOM 0 HG21 ILE A 44 -2.900 5.890 0.097 1.00 50.45 H new ATOM 0 HG22 ILE A 44 -2.189 4.291 -0.224 1.00 50.45 H new ATOM 0 HG23 ILE A 44 -1.160 5.622 0.355 1.00 50.45 H new ATOM 0 HD11 ILE A 44 -0.463 8.945 -0.995 1.00 75.34 H new ATOM 0 HD12 ILE A 44 -0.818 7.640 0.161 1.00 75.34 H new ATOM 0 HD13 ILE A 44 0.441 7.414 -1.077 1.00 75.34 H new ATOM 656 N LEU A 45 0.259 2.833 -1.601 1.00 73.41 N ATOM 657 CA LEU A 45 0.103 1.407 -1.349 1.00 73.35 C ATOM 658 C LEU A 45 -0.430 1.210 0.064 1.00 65.32 C ATOM 659 O LEU A 45 -0.172 2.029 0.940 1.00 24.22 O ATOM 660 CB LEU A 45 1.433 0.651 -1.519 1.00 44.13 C ATOM 661 CG LEU A 45 2.044 0.653 -2.934 1.00 54.23 C ATOM 662 CD1 LEU A 45 2.587 2.032 -3.303 1.00 70.32 C ATOM 663 CD2 LEU A 45 3.133 -0.412 -3.050 1.00 5.44 C ATOM 0 H LEU A 45 1.160 3.218 -1.317 1.00 73.41 H new ATOM 0 HA LEU A 45 -0.599 1.002 -2.077 1.00 73.35 H new ATOM 0 HB2 LEU A 45 2.161 1.081 -0.831 1.00 44.13 H new ATOM 0 HB3 LEU A 45 1.279 -0.384 -1.214 1.00 44.13 H new ATOM 0 HG LEU A 45 1.251 0.412 -3.642 1.00 54.23 H new ATOM 0 HD11 LEU A 45 3.011 1.999 -4.307 1.00 70.32 H new ATOM 0 HD12 LEU A 45 1.777 2.761 -3.274 1.00 70.32 H new ATOM 0 HD13 LEU A 45 3.361 2.321 -2.592 1.00 70.32 H new ATOM 0 HD21 LEU A 45 3.552 -0.395 -4.056 1.00 5.44 H new ATOM 0 HD22 LEU A 45 3.921 -0.207 -2.325 1.00 5.44 H new ATOM 0 HD23 LEU A 45 2.704 -1.394 -2.852 1.00 5.44 H new ATOM 675 N VAL A 46 -1.191 0.147 0.270 1.00 53.11 N ATOM 676 CA VAL A 46 -1.717 -0.200 1.585 1.00 42.03 C ATOM 677 C VAL A 46 -1.463 -1.674 1.843 1.00 33.10 C ATOM 678 O VAL A 46 -2.050 -2.535 1.185 1.00 14.32 O ATOM 679 CB VAL A 46 -3.236 0.101 1.695 1.00 11.34 C ATOM 680 CG1 VAL A 46 -3.764 -0.261 3.083 1.00 4.12 C ATOM 681 CG2 VAL A 46 -3.521 1.569 1.375 1.00 4.13 C ATOM 0 H VAL A 46 -1.463 -0.501 -0.469 1.00 53.11 H new ATOM 0 HA VAL A 46 -1.208 0.409 2.332 1.00 42.03 H new ATOM 0 HB VAL A 46 -3.757 -0.516 0.963 1.00 11.34 H new ATOM 0 HG11 VAL A 46 -4.830 -0.041 3.135 1.00 4.12 H new ATOM 0 HG12 VAL A 46 -3.603 -1.323 3.268 1.00 4.12 H new ATOM 0 HG13 VAL A 46 -3.236 0.323 3.837 1.00 4.12 H new ATOM 0 HG21 VAL A 46 -4.591 1.758 1.458 1.00 4.13 H new ATOM 0 HG22 VAL A 46 -2.984 2.206 2.078 1.00 4.13 H new ATOM 0 HG23 VAL A 46 -3.191 1.791 0.360 1.00 4.13 H new ATOM 691 N ASP A 47 -0.574 -1.962 2.779 1.00 4.42 N ATOM 692 CA ASP A 47 -0.142 -3.334 3.022 1.00 23.40 C ATOM 693 C ASP A 47 -0.957 -3.976 4.130 1.00 52.35 C ATOM 694 O ASP A 47 -1.617 -3.292 4.919 1.00 11.01 O ATOM 695 CB ASP A 47 1.348 -3.384 3.404 1.00 42.54 C ATOM 696 CG ASP A 47 1.615 -2.879 4.819 1.00 25.12 C ATOM 697 OD1 ASP A 47 1.469 -3.671 5.780 1.00 52.14 O ATOM 698 OD2 ASP A 47 1.969 -1.693 4.971 1.00 34.31 O ATOM 0 H ASP A 47 -0.136 -1.267 3.384 1.00 4.42 H new ATOM 0 HA ASP A 47 -0.296 -3.888 2.096 1.00 23.40 H new ATOM 0 HB2 ASP A 47 1.706 -4.410 3.316 1.00 42.54 H new ATOM 0 HB3 ASP A 47 1.920 -2.785 2.696 1.00 42.54 H new ATOM 703 N PHE A 48 -0.939 -5.299 4.146 1.00 50.33 N ATOM 704 CA PHE A 48 -1.393 -6.068 5.294 1.00 21.50 C ATOM 705 C PHE A 48 -0.312 -7.074 5.677 1.00 2.01 C ATOM 706 O PHE A 48 -0.341 -8.223 5.232 1.00 65.43 O ATOM 707 CB PHE A 48 -2.722 -6.779 4.993 1.00 53.22 C ATOM 708 CG PHE A 48 -3.862 -5.829 4.711 1.00 21.14 C ATOM 709 CD1 PHE A 48 -4.609 -5.297 5.752 1.00 41.42 C ATOM 710 CD2 PHE A 48 -4.176 -5.457 3.410 1.00 4.42 C ATOM 711 CE1 PHE A 48 -5.647 -4.419 5.503 1.00 54.41 C ATOM 712 CE2 PHE A 48 -5.212 -4.578 3.156 1.00 13.32 C ATOM 713 CZ PHE A 48 -5.948 -4.057 4.204 1.00 71.54 C ATOM 0 H PHE A 48 -0.610 -5.869 3.366 1.00 50.33 H new ATOM 0 HA PHE A 48 -1.571 -5.392 6.130 1.00 21.50 H new ATOM 0 HB2 PHE A 48 -2.587 -7.437 4.135 1.00 53.22 H new ATOM 0 HB3 PHE A 48 -2.987 -7.411 5.841 1.00 53.22 H new ATOM 0 HD1 PHE A 48 -4.376 -5.572 6.770 1.00 41.42 H new ATOM 0 HD2 PHE A 48 -3.604 -5.859 2.587 1.00 4.42 H new ATOM 0 HE1 PHE A 48 -6.222 -4.016 6.323 1.00 54.41 H new ATOM 0 HE2 PHE A 48 -5.446 -4.298 2.140 1.00 13.32 H new ATOM 0 HZ PHE A 48 -6.757 -3.368 4.008 1.00 71.54 H new ATOM 723 N TRP A 49 0.678 -6.610 6.454 1.00 41.14 N ATOM 724 CA TRP A 49 1.751 -7.481 6.950 1.00 1.04 C ATOM 725 C TRP A 49 1.176 -8.724 7.620 1.00 14.30 C ATOM 726 O TRP A 49 1.750 -9.811 7.531 1.00 1.11 O ATOM 727 CB TRP A 49 2.649 -6.756 7.970 1.00 54.34 C ATOM 728 CG TRP A 49 3.426 -5.584 7.432 1.00 1.22 C ATOM 729 CD1 TRP A 49 3.643 -4.394 8.069 1.00 53.15 C ATOM 730 CD2 TRP A 49 4.095 -5.484 6.165 1.00 13.33 C ATOM 731 NE1 TRP A 49 4.405 -3.568 7.283 1.00 42.25 N ATOM 732 CE2 TRP A 49 4.689 -4.209 6.109 1.00 31.53 C ATOM 733 CE3 TRP A 49 4.248 -6.343 5.074 1.00 2.34 C ATOM 734 CZ2 TRP A 49 5.424 -3.773 5.010 1.00 62.31 C ATOM 735 CZ3 TRP A 49 4.974 -5.909 3.983 1.00 35.33 C ATOM 736 CH2 TRP A 49 5.553 -4.635 3.958 1.00 11.22 C ATOM 0 H TRP A 49 0.757 -5.638 6.752 1.00 41.14 H new ATOM 0 HA TRP A 49 2.347 -7.763 6.082 1.00 1.04 H new ATOM 0 HB2 TRP A 49 2.026 -6.409 8.794 1.00 54.34 H new ATOM 0 HB3 TRP A 49 3.353 -7.477 8.385 1.00 54.34 H new ATOM 0 HD1 TRP A 49 3.268 -4.141 9.050 1.00 53.15 H new ATOM 0 HE1 TRP A 49 4.710 -2.628 7.534 1.00 42.25 H new ATOM 0 HE3 TRP A 49 3.806 -7.329 5.084 1.00 2.34 H new ATOM 0 HZ2 TRP A 49 5.875 -2.792 4.990 1.00 62.31 H new ATOM 0 HZ3 TRP A 49 5.097 -6.564 3.133 1.00 35.33 H new ATOM 0 HH2 TRP A 49 6.114 -4.327 3.088 1.00 11.22 H new ATOM 747 N ALA A 50 0.042 -8.532 8.297 1.00 14.51 N ATOM 748 CA ALA A 50 -0.599 -9.584 9.079 1.00 63.10 C ATOM 749 C ALA A 50 0.287 -9.974 10.269 1.00 4.53 C ATOM 750 O ALA A 50 1.364 -10.540 10.084 1.00 30.32 O ATOM 751 CB ALA A 50 -0.927 -10.801 8.212 1.00 12.32 C ATOM 0 H ALA A 50 -0.456 -7.642 8.317 1.00 14.51 H new ATOM 0 HA ALA A 50 -1.543 -9.197 9.463 1.00 63.10 H new ATOM 0 HB1 ALA A 50 -1.404 -11.566 8.825 1.00 12.32 H new ATOM 0 HB2 ALA A 50 -1.603 -10.505 7.410 1.00 12.32 H new ATOM 0 HB3 ALA A 50 -0.008 -11.200 7.783 1.00 12.32 H new ATOM 757 N PRO A 51 -0.158 -9.678 11.509 1.00 31.12 N ATOM 758 CA PRO A 51 0.637 -9.928 12.728 1.00 10.32 C ATOM 759 C PRO A 51 1.180 -11.359 12.800 1.00 20.13 C ATOM 760 O PRO A 51 2.173 -11.627 13.481 1.00 10.13 O ATOM 761 CB PRO A 51 -0.367 -9.669 13.861 1.00 24.55 C ATOM 762 CG PRO A 51 -1.348 -8.709 13.280 1.00 51.42 C ATOM 763 CD PRO A 51 -1.474 -9.083 11.826 1.00 52.41 C ATOM 0 HA PRO A 51 1.524 -9.297 12.771 1.00 10.32 H new ATOM 0 HB2 PRO A 51 -0.854 -10.591 14.178 1.00 24.55 H new ATOM 0 HB3 PRO A 51 0.125 -9.251 14.739 1.00 24.55 H new ATOM 0 HG2 PRO A 51 -2.311 -8.778 13.787 1.00 51.42 H new ATOM 0 HG3 PRO A 51 -1.003 -7.681 13.391 1.00 51.42 H new ATOM 0 HD2 PRO A 51 -2.285 -9.792 11.663 1.00 52.41 H new ATOM 0 HD3 PRO A 51 -1.682 -8.212 11.204 1.00 52.41 H new ATOM 771 N TRP A 52 0.516 -12.271 12.097 1.00 62.00 N ATOM 772 CA TRP A 52 0.932 -13.667 12.044 1.00 34.22 C ATOM 773 C TRP A 52 1.066 -14.115 10.586 1.00 74.01 C ATOM 774 O TRP A 52 0.102 -14.591 9.982 1.00 40.30 O ATOM 775 CB TRP A 52 -0.078 -14.554 12.789 1.00 42.25 C ATOM 776 CG TRP A 52 -0.332 -14.114 14.204 1.00 11.24 C ATOM 777 CD1 TRP A 52 -1.268 -13.210 14.625 1.00 4.31 C ATOM 778 CD2 TRP A 52 0.366 -14.541 15.380 1.00 40.54 C ATOM 779 NE1 TRP A 52 -1.201 -13.058 15.988 1.00 22.41 N ATOM 780 CE2 TRP A 52 -0.206 -13.865 16.476 1.00 42.04 C ATOM 781 CE3 TRP A 52 1.414 -15.436 15.616 1.00 64.23 C ATOM 782 CZ2 TRP A 52 0.239 -14.053 17.782 1.00 31.42 C ATOM 783 CZ3 TRP A 52 1.854 -15.619 16.914 1.00 72.51 C ATOM 784 CH2 TRP A 52 1.265 -14.932 17.983 1.00 21.50 C ATOM 0 H TRP A 52 -0.321 -12.064 11.551 1.00 62.00 H new ATOM 0 HA TRP A 52 1.901 -13.767 12.533 1.00 34.22 H new ATOM 0 HB2 TRP A 52 -1.021 -14.555 12.242 1.00 42.25 H new ATOM 0 HB3 TRP A 52 0.288 -15.581 12.796 1.00 42.25 H new ATOM 0 HD1 TRP A 52 -1.960 -12.691 13.979 1.00 4.31 H new ATOM 0 HE1 TRP A 52 -1.795 -12.445 16.546 1.00 22.41 H new ATOM 0 HE3 TRP A 52 1.872 -15.975 14.799 1.00 64.23 H new ATOM 0 HZ2 TRP A 52 -0.212 -13.522 18.608 1.00 31.42 H new ATOM 0 HZ3 TRP A 52 2.666 -16.304 17.107 1.00 72.51 H new ATOM 0 HH2 TRP A 52 1.629 -15.101 18.986 1.00 21.50 H new ATOM 795 N CYS A 53 2.255 -13.918 10.020 1.00 25.43 N ATOM 796 CA CYS A 53 2.537 -14.295 8.635 1.00 31.25 C ATOM 797 C CYS A 53 3.996 -14.720 8.491 1.00 34.44 C ATOM 798 O CYS A 53 4.837 -14.357 9.316 1.00 73.14 O ATOM 799 CB CYS A 53 2.236 -13.127 7.684 1.00 63.21 C ATOM 800 SG CYS A 53 2.644 -13.470 5.936 1.00 23.43 S ATOM 0 H CYS A 53 3.047 -13.495 10.505 1.00 25.43 H new ATOM 0 HA CYS A 53 1.894 -15.134 8.370 1.00 31.25 H new ATOM 0 HB2 CYS A 53 1.178 -12.875 7.757 1.00 63.21 H new ATOM 0 HB3 CYS A 53 2.795 -12.251 8.012 1.00 63.21 H new ATOM 805 N GLY A 54 4.288 -15.492 7.444 1.00 65.43 N ATOM 806 CA GLY A 54 5.645 -15.959 7.200 1.00 62.03 C ATOM 807 C GLY A 54 6.412 -15.060 6.241 1.00 21.43 C ATOM 808 O GLY A 54 7.232 -14.251 6.676 1.00 51.45 O ATOM 0 H GLY A 54 3.603 -15.804 6.756 1.00 65.43 H new ATOM 0 HA2 GLY A 54 6.182 -16.015 8.147 1.00 62.03 H new ATOM 0 HA3 GLY A 54 5.609 -16.970 6.794 1.00 62.03 H new ATOM 812 N PRO A 55 6.145 -15.162 4.921 1.00 3.42 N ATOM 813 CA PRO A 55 6.886 -14.412 3.892 1.00 0.23 C ATOM 814 C PRO A 55 6.786 -12.899 4.084 1.00 15.14 C ATOM 815 O PRO A 55 7.666 -12.149 3.652 1.00 61.13 O ATOM 816 CB PRO A 55 6.220 -14.842 2.571 1.00 73.33 C ATOM 817 CG PRO A 55 4.893 -15.397 2.970 1.00 10.13 C ATOM 818 CD PRO A 55 5.100 -16.014 4.324 1.00 65.51 C ATOM 0 HA PRO A 55 7.954 -14.627 3.928 1.00 0.23 H new ATOM 0 HB2 PRO A 55 6.106 -13.996 1.893 1.00 73.33 H new ATOM 0 HB3 PRO A 55 6.820 -15.589 2.051 1.00 73.33 H new ATOM 0 HG2 PRO A 55 4.137 -14.613 3.009 1.00 10.13 H new ATOM 0 HG3 PRO A 55 4.547 -16.139 2.251 1.00 10.13 H new ATOM 0 HD2 PRO A 55 4.185 -16.005 4.916 1.00 65.51 H new ATOM 0 HD3 PRO A 55 5.421 -17.053 4.249 1.00 65.51 H new ATOM 826 N CYS A 56 5.719 -12.461 4.750 1.00 71.53 N ATOM 827 CA CYS A 56 5.502 -11.041 5.026 1.00 23.31 C ATOM 828 C CYS A 56 6.705 -10.444 5.764 1.00 52.33 C ATOM 829 O CYS A 56 6.999 -9.253 5.634 1.00 72.31 O ATOM 830 CB CYS A 56 4.221 -10.862 5.849 1.00 32.13 C ATOM 831 SG CYS A 56 2.751 -11.629 5.085 1.00 32.41 S ATOM 0 H CYS A 56 4.987 -13.073 5.111 1.00 71.53 H new ATOM 0 HA CYS A 56 5.390 -10.511 4.080 1.00 23.31 H new ATOM 0 HB2 CYS A 56 4.372 -11.292 6.839 1.00 32.13 H new ATOM 0 HB3 CYS A 56 4.034 -9.797 5.989 1.00 32.13 H new ATOM 836 N ARG A 57 7.415 -11.295 6.507 1.00 31.45 N ATOM 837 CA ARG A 57 8.612 -10.888 7.241 1.00 75.30 C ATOM 838 C ARG A 57 9.635 -10.238 6.307 1.00 33.52 C ATOM 839 O ARG A 57 10.206 -9.201 6.627 1.00 62.33 O ATOM 840 CB ARG A 57 9.233 -12.101 7.944 1.00 4.34 C ATOM 841 CG ARG A 57 10.632 -11.857 8.505 1.00 10.00 C ATOM 842 CD ARG A 57 11.184 -13.101 9.193 1.00 3.35 C ATOM 843 NE ARG A 57 12.607 -12.967 9.516 1.00 4.54 N ATOM 844 CZ ARG A 57 13.172 -13.440 10.627 1.00 63.51 C ATOM 845 NH1 ARG A 57 12.422 -13.974 11.586 1.00 73.32 N ATOM 846 NH2 ARG A 57 14.485 -13.350 10.792 1.00 5.11 N ATOM 0 H ARG A 57 7.177 -12.281 6.616 1.00 31.45 H new ATOM 0 HA ARG A 57 8.321 -10.151 7.989 1.00 75.30 H new ATOM 0 HB2 ARG A 57 8.577 -12.409 8.758 1.00 4.34 H new ATOM 0 HB3 ARG A 57 9.277 -12.931 7.239 1.00 4.34 H new ATOM 0 HG2 ARG A 57 11.302 -11.559 7.698 1.00 10.00 H new ATOM 0 HG3 ARG A 57 10.601 -11.031 9.215 1.00 10.00 H new ATOM 0 HD2 ARG A 57 10.621 -13.289 10.107 1.00 3.35 H new ATOM 0 HD3 ARG A 57 11.039 -13.967 8.546 1.00 3.35 H new ATOM 0 HE ARG A 57 13.204 -12.480 8.847 1.00 4.54 H new ATOM 0 HH11 ARG A 57 11.409 -14.023 11.474 1.00 73.32 H new ATOM 0 HH12 ARG A 57 12.859 -14.335 12.434 1.00 73.32 H new ATOM 0 HH21 ARG A 57 15.061 -12.919 10.069 1.00 5.11 H new ATOM 0 HH22 ARG A 57 14.918 -13.712 11.642 1.00 5.11 H new ATOM 860 N SER A 58 9.855 -10.853 5.150 1.00 44.34 N ATOM 861 CA SER A 58 10.819 -10.345 4.175 1.00 13.45 C ATOM 862 C SER A 58 10.262 -9.111 3.461 1.00 1.55 C ATOM 863 O SER A 58 10.987 -8.144 3.182 1.00 54.15 O ATOM 864 CB SER A 58 11.145 -11.443 3.160 1.00 42.23 C ATOM 865 OG SER A 58 11.475 -12.653 3.821 1.00 11.21 O ATOM 0 H SER A 58 9.378 -11.707 4.862 1.00 44.34 H new ATOM 0 HA SER A 58 11.731 -10.054 4.696 1.00 13.45 H new ATOM 0 HB2 SER A 58 10.290 -11.603 2.503 1.00 42.23 H new ATOM 0 HB3 SER A 58 11.977 -11.128 2.530 1.00 42.23 H new ATOM 0 HG SER A 58 11.679 -13.344 3.156 1.00 11.21 H new ATOM 871 N LEU A 59 8.966 -9.148 3.175 1.00 0.41 N ATOM 872 CA LEU A 59 8.301 -8.051 2.481 1.00 34.42 C ATOM 873 C LEU A 59 8.393 -6.761 3.288 1.00 73.43 C ATOM 874 O LEU A 59 8.370 -5.673 2.718 1.00 4.22 O ATOM 875 CB LEU A 59 6.836 -8.403 2.177 1.00 70.43 C ATOM 876 CG LEU A 59 6.606 -9.239 0.903 1.00 42.15 C ATOM 877 CD1 LEU A 59 6.972 -8.435 -0.340 1.00 15.45 C ATOM 878 CD2 LEU A 59 7.398 -10.546 0.949 1.00 42.21 C ATOM 0 H LEU A 59 8.353 -9.928 3.414 1.00 0.41 H new ATOM 0 HA LEU A 59 8.814 -7.893 1.532 1.00 34.42 H new ATOM 0 HB2 LEU A 59 6.428 -8.949 3.028 1.00 70.43 H new ATOM 0 HB3 LEU A 59 6.268 -7.477 2.090 1.00 70.43 H new ATOM 0 HG LEU A 59 5.546 -9.490 0.854 1.00 42.15 H new ATOM 0 HD11 LEU A 59 6.803 -9.042 -1.229 1.00 15.45 H new ATOM 0 HD12 LEU A 59 6.353 -7.539 -0.389 1.00 15.45 H new ATOM 0 HD13 LEU A 59 8.022 -8.148 -0.291 1.00 15.45 H new ATOM 0 HD21 LEU A 59 7.216 -11.114 0.037 1.00 42.21 H new ATOM 0 HD22 LEU A 59 8.462 -10.324 1.032 1.00 42.21 H new ATOM 0 HD23 LEU A 59 7.082 -11.133 1.811 1.00 42.21 H new ATOM 890 N GLU A 60 8.511 -6.889 4.611 1.00 43.44 N ATOM 891 CA GLU A 60 8.678 -5.723 5.474 1.00 73.14 C ATOM 892 C GLU A 60 9.912 -4.905 5.034 1.00 54.23 C ATOM 893 O GLU A 60 9.749 -3.806 4.501 1.00 21.55 O ATOM 894 CB GLU A 60 8.748 -6.139 6.958 1.00 65.11 C ATOM 895 CG GLU A 60 9.006 -4.979 7.919 1.00 65.24 C ATOM 896 CD GLU A 60 9.259 -5.447 9.343 1.00 63.11 C ATOM 897 OE1 GLU A 60 8.286 -5.806 10.040 1.00 44.14 O ATOM 898 OE2 GLU A 60 10.437 -5.470 9.772 1.00 32.43 O ATOM 0 H GLU A 60 8.494 -7.782 5.103 1.00 43.44 H new ATOM 0 HA GLU A 60 7.805 -5.079 5.371 1.00 73.14 H new ATOM 0 HB2 GLU A 60 7.811 -6.623 7.233 1.00 65.11 H new ATOM 0 HB3 GLU A 60 9.538 -6.880 7.080 1.00 65.11 H new ATOM 0 HG2 GLU A 60 9.866 -4.407 7.570 1.00 65.24 H new ATOM 0 HG3 GLU A 60 8.149 -4.305 7.908 1.00 65.24 H new ATOM 905 N PRO A 61 11.163 -5.428 5.185 1.00 3.33 N ATOM 906 CA PRO A 61 12.357 -4.690 4.764 1.00 42.23 C ATOM 907 C PRO A 61 12.358 -4.407 3.261 1.00 33.25 C ATOM 908 O PRO A 61 12.762 -3.322 2.838 1.00 53.34 O ATOM 909 CB PRO A 61 13.529 -5.608 5.155 1.00 12.32 C ATOM 910 CG PRO A 61 12.928 -6.963 5.285 1.00 22.22 C ATOM 911 CD PRO A 61 11.519 -6.741 5.760 1.00 33.24 C ATOM 0 HA PRO A 61 12.413 -3.710 5.237 1.00 42.23 H new ATOM 0 HB2 PRO A 61 14.312 -5.594 4.396 1.00 12.32 H new ATOM 0 HB3 PRO A 61 13.987 -5.287 6.091 1.00 12.32 H new ATOM 0 HG2 PRO A 61 12.941 -7.490 4.331 1.00 22.22 H new ATOM 0 HG3 PRO A 61 13.488 -7.573 5.994 1.00 22.22 H new ATOM 0 HD2 PRO A 61 10.849 -7.527 5.411 1.00 33.24 H new ATOM 0 HD3 PRO A 61 11.459 -6.732 6.848 1.00 33.24 H new ATOM 919 N GLN A 62 11.909 -5.379 2.447 1.00 30.31 N ATOM 920 CA GLN A 62 11.854 -5.176 1.000 1.00 14.45 C ATOM 921 C GLN A 62 11.068 -3.907 0.641 1.00 11.21 C ATOM 922 O GLN A 62 11.574 -3.036 -0.071 1.00 34.34 O ATOM 923 CB GLN A 62 11.239 -6.393 0.296 1.00 64.42 C ATOM 924 CG GLN A 62 12.038 -7.677 0.492 1.00 22.41 C ATOM 925 CD GLN A 62 11.535 -8.825 -0.370 1.00 32.34 C ATOM 926 OE1 GLN A 62 11.991 -9.024 -1.494 1.00 70.35 O ATOM 927 NE2 GLN A 62 10.580 -9.579 0.151 1.00 52.11 N ATOM 0 H GLN A 62 11.586 -6.293 2.764 1.00 30.31 H new ATOM 0 HA GLN A 62 12.880 -5.053 0.652 1.00 14.45 H new ATOM 0 HB2 GLN A 62 10.226 -6.545 0.668 1.00 64.42 H new ATOM 0 HB3 GLN A 62 11.159 -6.184 -0.771 1.00 64.42 H new ATOM 0 HG2 GLN A 62 13.086 -7.486 0.259 1.00 22.41 H new ATOM 0 HG3 GLN A 62 11.993 -7.970 1.541 1.00 22.41 H new ATOM 0 HE21 GLN A 62 10.228 -9.381 1.088 1.00 52.11 H new ATOM 0 HE22 GLN A 62 10.196 -10.358 -0.384 1.00 52.11 H new ATOM 936 N LEU A 63 9.846 -3.790 1.160 1.00 3.02 N ATOM 937 CA LEU A 63 8.974 -2.670 0.807 1.00 13.43 C ATOM 938 C LEU A 63 9.380 -1.388 1.526 1.00 1.24 C ATOM 939 O LEU A 63 9.139 -0.300 1.011 1.00 30.32 O ATOM 940 CB LEU A 63 7.499 -2.991 1.088 1.00 53.42 C ATOM 941 CG LEU A 63 6.899 -4.121 0.230 1.00 14.05 C ATOM 942 CD1 LEU A 63 5.399 -4.267 0.491 1.00 42.21 C ATOM 943 CD2 LEU A 63 7.171 -3.874 -1.254 1.00 10.33 C ATOM 0 H LEU A 63 9.440 -4.452 1.821 1.00 3.02 H new ATOM 0 HA LEU A 63 9.091 -2.510 -0.265 1.00 13.43 H new ATOM 0 HB2 LEU A 63 7.396 -3.261 2.139 1.00 53.42 H new ATOM 0 HB3 LEU A 63 6.911 -2.087 0.932 1.00 53.42 H new ATOM 0 HG LEU A 63 7.382 -5.056 0.514 1.00 14.05 H new ATOM 0 HD11 LEU A 63 4.999 -5.071 -0.127 1.00 42.21 H new ATOM 0 HD12 LEU A 63 5.234 -4.501 1.543 1.00 42.21 H new ATOM 0 HD13 LEU A 63 4.894 -3.333 0.243 1.00 42.21 H new ATOM 0 HD21 LEU A 63 6.739 -4.683 -1.843 1.00 10.33 H new ATOM 0 HD22 LEU A 63 6.721 -2.927 -1.554 1.00 10.33 H new ATOM 0 HD23 LEU A 63 8.247 -3.835 -1.425 1.00 10.33 H new ATOM 955 N GLU A 64 9.983 -1.504 2.708 1.00 5.32 N ATOM 956 CA GLU A 64 10.490 -0.323 3.412 1.00 52.22 C ATOM 957 C GLU A 64 11.630 0.308 2.612 1.00 24.22 C ATOM 958 O GLU A 64 11.701 1.534 2.459 1.00 74.53 O ATOM 959 CB GLU A 64 10.948 -0.673 4.841 1.00 44.34 C ATOM 960 CG GLU A 64 9.803 -1.086 5.771 1.00 40.03 C ATOM 961 CD GLU A 64 10.228 -1.287 7.223 1.00 4.32 C ATOM 962 OE1 GLU A 64 11.433 -1.472 7.488 1.00 4.41 O ATOM 963 OE2 GLU A 64 9.349 -1.245 8.112 1.00 32.21 O ATOM 0 H GLU A 64 10.132 -2.388 3.194 1.00 5.32 H new ATOM 0 HA GLU A 64 9.679 0.399 3.501 1.00 52.22 H new ATOM 0 HB2 GLU A 64 11.675 -1.484 4.792 1.00 44.34 H new ATOM 0 HB3 GLU A 64 11.460 0.188 5.270 1.00 44.34 H new ATOM 0 HG2 GLU A 64 9.024 -0.324 5.733 1.00 40.03 H new ATOM 0 HG3 GLU A 64 9.362 -2.011 5.400 1.00 40.03 H new ATOM 970 N LYS A 65 12.504 -0.540 2.069 1.00 72.34 N ATOM 971 CA LYS A 65 13.603 -0.067 1.238 1.00 5.52 C ATOM 972 C LYS A 65 13.067 0.521 -0.063 1.00 31.51 C ATOM 973 O LYS A 65 13.466 1.615 -0.467 1.00 62.52 O ATOM 974 CB LYS A 65 14.605 -1.198 0.956 1.00 12.42 C ATOM 975 CG LYS A 65 15.660 -0.829 -0.088 1.00 23.52 C ATOM 976 CD LYS A 65 16.915 -1.689 0.025 1.00 21.03 C ATOM 977 CE LYS A 65 17.643 -1.433 1.343 1.00 53.52 C ATOM 978 NZ LYS A 65 18.992 -2.054 1.374 1.00 23.25 N ATOM 0 H LYS A 65 12.470 -1.552 2.191 1.00 72.34 H new ATOM 0 HA LYS A 65 14.131 0.718 1.780 1.00 5.52 H new ATOM 0 HB2 LYS A 65 15.104 -1.471 1.886 1.00 12.42 H new ATOM 0 HB3 LYS A 65 14.061 -2.079 0.616 1.00 12.42 H new ATOM 0 HG2 LYS A 65 15.235 -0.941 -1.085 1.00 23.52 H new ATOM 0 HG3 LYS A 65 15.930 0.221 0.028 1.00 23.52 H new ATOM 0 HD2 LYS A 65 16.645 -2.743 -0.045 1.00 21.03 H new ATOM 0 HD3 LYS A 65 17.582 -1.475 -0.810 1.00 21.03 H new ATOM 0 HE2 LYS A 65 17.737 -0.359 1.500 1.00 53.52 H new ATOM 0 HE3 LYS A 65 17.046 -1.825 2.167 1.00 53.52 H new ATOM 0 HZ1 LYS A 65 19.446 -1.853 2.288 1.00 23.25 H new ATOM 0 HZ2 LYS A 65 18.903 -3.083 1.251 1.00 23.25 H new ATOM 0 HZ3 LYS A 65 19.572 -1.662 0.605 1.00 23.25 H new ATOM 992 N LEU A 66 12.148 -0.194 -0.713 1.00 24.31 N ATOM 993 CA LEU A 66 11.530 0.314 -1.931 1.00 60.10 C ATOM 994 C LEU A 66 10.747 1.588 -1.644 1.00 52.21 C ATOM 995 O LEU A 66 10.625 2.451 -2.507 1.00 12.50 O ATOM 996 CB LEU A 66 10.620 -0.735 -2.578 1.00 52.52 C ATOM 997 CG LEU A 66 11.329 -2.002 -3.077 1.00 61.21 C ATOM 998 CD1 LEU A 66 10.399 -2.811 -3.970 1.00 3.33 C ATOM 999 CD2 LEU A 66 12.625 -1.657 -3.809 1.00 31.24 C ATOM 0 H LEU A 66 11.821 -1.114 -0.419 1.00 24.31 H new ATOM 0 HA LEU A 66 12.330 0.544 -2.635 1.00 60.10 H new ATOM 0 HB2 LEU A 66 9.858 -1.026 -1.855 1.00 52.52 H new ATOM 0 HB3 LEU A 66 10.102 -0.274 -3.419 1.00 52.52 H new ATOM 0 HG LEU A 66 11.592 -2.609 -2.211 1.00 61.21 H new ATOM 0 HD11 LEU A 66 10.915 -3.706 -4.316 1.00 3.33 H new ATOM 0 HD12 LEU A 66 9.512 -3.099 -3.406 1.00 3.33 H new ATOM 0 HD13 LEU A 66 10.103 -2.208 -4.828 1.00 3.33 H new ATOM 0 HD21 LEU A 66 13.105 -2.574 -4.151 1.00 31.24 H new ATOM 0 HD22 LEU A 66 12.401 -1.023 -4.667 1.00 31.24 H new ATOM 0 HD23 LEU A 66 13.295 -1.127 -3.132 1.00 31.24 H new ATOM 1011 N ALA A 67 10.226 1.705 -0.426 1.00 30.25 N ATOM 1012 CA ALA A 67 9.544 2.920 -0.004 1.00 73.51 C ATOM 1013 C ALA A 67 10.524 4.081 -0.019 1.00 44.13 C ATOM 1014 O ALA A 67 10.265 5.115 -0.624 1.00 31.54 O ATOM 1015 CB ALA A 67 8.940 2.747 1.385 1.00 15.32 C ATOM 0 H ALA A 67 10.264 0.973 0.284 1.00 30.25 H new ATOM 0 HA ALA A 67 8.730 3.129 -0.698 1.00 73.51 H new ATOM 0 HB1 ALA A 67 8.436 3.667 1.680 1.00 15.32 H new ATOM 0 HB2 ALA A 67 8.221 1.928 1.370 1.00 15.32 H new ATOM 0 HB3 ALA A 67 9.731 2.522 2.100 1.00 15.32 H new ATOM 1021 N GLN A 68 11.667 3.883 0.631 1.00 3.00 N ATOM 1022 CA GLN A 68 12.733 4.887 0.652 1.00 4.11 C ATOM 1023 C GLN A 68 13.236 5.184 -0.761 1.00 72.23 C ATOM 1024 O GLN A 68 13.636 6.307 -1.067 1.00 43.03 O ATOM 1025 CB GLN A 68 13.897 4.409 1.531 1.00 63.23 C ATOM 1026 CG GLN A 68 13.512 4.207 2.990 1.00 45.14 C ATOM 1027 CD GLN A 68 14.686 3.824 3.872 1.00 63.04 C ATOM 1028 OE1 GLN A 68 15.630 3.164 3.434 1.00 72.55 O ATOM 1029 NE2 GLN A 68 14.635 4.242 5.129 1.00 23.10 N ATOM 0 H GLN A 68 11.882 3.034 1.153 1.00 3.00 H new ATOM 0 HA GLN A 68 12.322 5.806 1.071 1.00 4.11 H new ATOM 0 HB2 GLN A 68 14.282 3.471 1.132 1.00 63.23 H new ATOM 0 HB3 GLN A 68 14.707 5.136 1.474 1.00 63.23 H new ATOM 0 HG2 GLN A 68 13.064 5.125 3.371 1.00 45.14 H new ATOM 0 HG3 GLN A 68 12.750 3.430 3.053 1.00 45.14 H new ATOM 0 HE21 GLN A 68 13.836 4.786 5.453 1.00 23.10 H new ATOM 0 HE22 GLN A 68 15.395 4.019 5.772 1.00 23.10 H new ATOM 1038 N GLN A 69 13.202 4.171 -1.617 1.00 10.14 N ATOM 1039 CA GLN A 69 13.697 4.287 -2.987 1.00 24.05 C ATOM 1040 C GLN A 69 12.700 5.033 -3.877 1.00 75.34 C ATOM 1041 O GLN A 69 13.087 5.857 -4.708 1.00 71.53 O ATOM 1042 CB GLN A 69 13.972 2.888 -3.561 1.00 23.51 C ATOM 1043 CG GLN A 69 14.530 2.892 -4.981 1.00 71.43 C ATOM 1044 CD GLN A 69 15.873 3.596 -5.090 1.00 75.24 C ATOM 1045 OE1 GLN A 69 16.660 3.616 -4.144 1.00 43.21 O ATOM 1046 NE2 GLN A 69 16.141 4.178 -6.247 1.00 41.00 N ATOM 0 H GLN A 69 12.833 3.249 -1.385 1.00 10.14 H new ATOM 0 HA GLN A 69 14.624 4.861 -2.967 1.00 24.05 H new ATOM 0 HB2 GLN A 69 14.676 2.372 -2.908 1.00 23.51 H new ATOM 0 HB3 GLN A 69 13.045 2.314 -3.549 1.00 23.51 H new ATOM 0 HG2 GLN A 69 14.636 1.864 -5.327 1.00 71.43 H new ATOM 0 HG3 GLN A 69 13.816 3.379 -5.645 1.00 71.43 H new ATOM 0 HE21 GLN A 69 15.462 4.139 -7.007 1.00 41.00 H new ATOM 0 HE22 GLN A 69 17.027 4.666 -6.379 1.00 41.00 H new ATOM 1055 N TYR A 70 11.418 4.747 -3.691 1.00 41.52 N ATOM 1056 CA TYR A 70 10.362 5.290 -4.547 1.00 15.31 C ATOM 1057 C TYR A 70 9.583 6.409 -3.850 1.00 45.54 C ATOM 1058 O TYR A 70 8.618 6.932 -4.407 1.00 15.35 O ATOM 1059 CB TYR A 70 9.387 4.184 -4.971 1.00 12.50 C ATOM 1060 CG TYR A 70 9.995 3.072 -5.807 1.00 22.13 C ATOM 1061 CD1 TYR A 70 10.564 3.335 -7.053 1.00 60.25 C ATOM 1062 CD2 TYR A 70 9.974 1.752 -5.367 1.00 71.11 C ATOM 1063 CE1 TYR A 70 11.090 2.316 -7.826 1.00 33.12 C ATOM 1064 CE2 TYR A 70 10.503 0.733 -6.132 1.00 61.44 C ATOM 1065 CZ TYR A 70 11.058 1.019 -7.359 1.00 54.31 C ATOM 1066 OH TYR A 70 11.567 -0.004 -8.126 1.00 42.24 O ATOM 0 H TYR A 70 11.078 4.136 -2.948 1.00 41.52 H new ATOM 0 HA TYR A 70 10.850 5.707 -5.428 1.00 15.31 H new ATOM 0 HB2 TYR A 70 8.949 3.745 -4.075 1.00 12.50 H new ATOM 0 HB3 TYR A 70 8.572 4.637 -5.535 1.00 12.50 H new ATOM 0 HD1 TYR A 70 10.594 4.350 -7.420 1.00 60.25 H new ATOM 0 HD2 TYR A 70 9.535 1.521 -4.408 1.00 71.11 H new ATOM 0 HE1 TYR A 70 11.524 2.535 -8.791 1.00 33.12 H new ATOM 0 HE2 TYR A 70 10.482 -0.284 -5.770 1.00 61.44 H new ATOM 0 HH TYR A 70 12.229 0.355 -8.753 1.00 42.24 H new ATOM 1076 N THR A 71 10.015 6.784 -2.648 1.00 35.24 N ATOM 1077 CA THR A 71 9.279 7.736 -1.800 1.00 23.32 C ATOM 1078 C THR A 71 8.955 9.037 -2.539 1.00 55.34 C ATOM 1079 O THR A 71 8.055 9.779 -2.137 1.00 71.11 O ATOM 1080 CB THR A 71 10.070 8.070 -0.509 1.00 64.54 C ATOM 1081 OG1 THR A 71 9.284 8.904 0.357 1.00 12.31 O ATOM 1082 CG2 THR A 71 11.387 8.770 -0.832 1.00 13.35 C ATOM 0 H THR A 71 10.880 6.442 -2.230 1.00 35.24 H new ATOM 0 HA THR A 71 8.343 7.245 -1.535 1.00 23.32 H new ATOM 0 HB THR A 71 10.292 7.129 -0.005 1.00 64.54 H new ATOM 0 HG1 THR A 71 9.832 9.198 1.114 1.00 12.31 H new ATOM 0 HG21 THR A 71 11.918 8.991 0.094 1.00 13.35 H new ATOM 0 HG22 THR A 71 12.001 8.121 -1.456 1.00 13.35 H new ATOM 0 HG23 THR A 71 11.184 9.699 -1.364 1.00 13.35 H new ATOM 1090 N GLU A 72 9.690 9.296 -3.618 1.00 2.33 N ATOM 1091 CA GLU A 72 9.460 10.465 -4.462 1.00 2.44 C ATOM 1092 C GLU A 72 8.006 10.496 -4.936 1.00 13.14 C ATOM 1093 O GLU A 72 7.369 11.549 -4.960 1.00 51.04 O ATOM 1094 CB GLU A 72 10.390 10.416 -5.682 1.00 61.53 C ATOM 1095 CG GLU A 72 11.862 10.239 -5.334 1.00 52.33 C ATOM 1096 CD GLU A 72 12.692 9.816 -6.534 1.00 75.24 C ATOM 1097 OE1 GLU A 72 12.634 8.626 -6.905 1.00 41.31 O ATOM 1098 OE2 GLU A 72 13.398 10.664 -7.122 1.00 4.41 O ATOM 0 H GLU A 72 10.459 8.703 -3.931 1.00 2.33 H new ATOM 0 HA GLU A 72 9.667 11.363 -3.880 1.00 2.44 H new ATOM 0 HB2 GLU A 72 10.080 9.596 -6.330 1.00 61.53 H new ATOM 0 HB3 GLU A 72 10.271 11.336 -6.254 1.00 61.53 H new ATOM 0 HG2 GLU A 72 12.254 11.175 -4.936 1.00 52.33 H new ATOM 0 HG3 GLU A 72 11.959 9.492 -4.546 1.00 52.33 H new ATOM 1105 N ASN A 73 7.491 9.324 -5.316 1.00 64.24 N ATOM 1106 CA ASN A 73 6.116 9.205 -5.807 1.00 70.24 C ATOM 1107 C ASN A 73 5.396 8.005 -5.189 1.00 53.34 C ATOM 1108 O ASN A 73 4.327 7.625 -5.648 1.00 21.02 O ATOM 1109 CB ASN A 73 6.095 9.095 -7.344 1.00 23.23 C ATOM 1110 CG ASN A 73 6.552 10.370 -8.041 1.00 32.10 C ATOM 1111 OD1 ASN A 73 5.759 11.273 -8.299 1.00 14.10 O ATOM 1112 ND2 ASN A 73 7.838 10.444 -8.358 1.00 62.32 N ATOM 0 H ASN A 73 8.006 8.444 -5.293 1.00 64.24 H new ATOM 0 HA ASN A 73 5.586 10.109 -5.506 1.00 70.24 H new ATOM 0 HB2 ASN A 73 6.737 8.270 -7.652 1.00 23.23 H new ATOM 0 HB3 ASN A 73 5.084 8.852 -7.671 1.00 23.23 H new ATOM 0 HD21 ASN A 73 8.199 11.271 -8.833 1.00 62.32 H new ATOM 0 HD22 ASN A 73 8.465 9.674 -8.127 1.00 62.32 H new ATOM 1119 N VAL A 74 5.979 7.403 -4.154 1.00 50.22 N ATOM 1120 CA VAL A 74 5.361 6.257 -3.474 1.00 61.50 C ATOM 1121 C VAL A 74 5.243 6.495 -1.973 1.00 13.51 C ATOM 1122 O VAL A 74 6.155 7.041 -1.349 1.00 60.44 O ATOM 1123 CB VAL A 74 6.165 4.948 -3.719 1.00 30.23 C ATOM 1124 CG1 VAL A 74 5.789 3.851 -2.719 1.00 64.14 C ATOM 1125 CG2 VAL A 74 5.955 4.454 -5.144 1.00 34.03 C ATOM 0 H VAL A 74 6.878 7.687 -3.765 1.00 50.22 H new ATOM 0 HA VAL A 74 4.362 6.147 -3.897 1.00 61.50 H new ATOM 0 HB VAL A 74 7.220 5.181 -3.572 1.00 30.23 H new ATOM 0 HG11 VAL A 74 6.373 2.954 -2.926 1.00 64.14 H new ATOM 0 HG12 VAL A 74 5.998 4.195 -1.706 1.00 64.14 H new ATOM 0 HG13 VAL A 74 4.728 3.622 -2.813 1.00 64.14 H new ATOM 0 HG21 VAL A 74 6.524 3.538 -5.299 1.00 34.03 H new ATOM 0 HG22 VAL A 74 4.896 4.255 -5.308 1.00 34.03 H new ATOM 0 HG23 VAL A 74 6.294 5.215 -5.847 1.00 34.03 H new ATOM 1135 N LYS A 75 4.106 6.087 -1.410 1.00 73.24 N ATOM 1136 CA LYS A 75 3.893 6.092 0.037 1.00 44.53 C ATOM 1137 C LYS A 75 3.056 4.867 0.422 1.00 20.33 C ATOM 1138 O LYS A 75 2.018 4.614 -0.188 1.00 71.45 O ATOM 1139 CB LYS A 75 3.177 7.382 0.490 1.00 71.11 C ATOM 1140 CG LYS A 75 4.000 8.666 0.332 1.00 73.44 C ATOM 1141 CD LYS A 75 5.284 8.630 1.160 1.00 73.30 C ATOM 1142 CE LYS A 75 6.025 9.968 1.134 1.00 14.23 C ATOM 1143 NZ LYS A 75 6.352 10.417 -0.248 1.00 52.22 N ATOM 0 H LYS A 75 3.307 5.744 -1.944 1.00 73.24 H new ATOM 0 HA LYS A 75 4.862 6.055 0.535 1.00 44.53 H new ATOM 0 HB2 LYS A 75 2.254 7.487 -0.080 1.00 71.11 H new ATOM 0 HB3 LYS A 75 2.895 7.275 1.537 1.00 71.11 H new ATOM 0 HG2 LYS A 75 4.251 8.809 -0.719 1.00 73.44 H new ATOM 0 HG3 LYS A 75 3.397 9.522 0.635 1.00 73.44 H new ATOM 0 HD2 LYS A 75 5.043 8.370 2.191 1.00 73.30 H new ATOM 0 HD3 LYS A 75 5.939 7.846 0.779 1.00 73.30 H new ATOM 0 HE2 LYS A 75 5.414 10.727 1.623 1.00 14.23 H new ATOM 0 HE3 LYS A 75 6.946 9.880 1.711 1.00 14.23 H new ATOM 0 HZ1 LYS A 75 6.853 11.328 -0.208 1.00 52.22 H new ATOM 0 HZ2 LYS A 75 6.958 9.709 -0.709 1.00 52.22 H new ATOM 0 HZ3 LYS A 75 5.474 10.529 -0.794 1.00 52.22 H new ATOM 1157 N ILE A 76 3.518 4.097 1.410 1.00 73.23 N ATOM 1158 CA ILE A 76 2.775 2.916 1.868 1.00 30.11 C ATOM 1159 C ILE A 76 2.107 3.189 3.217 1.00 21.31 C ATOM 1160 O ILE A 76 2.701 3.805 4.111 1.00 1.35 O ATOM 1161 CB ILE A 76 3.662 1.638 1.987 1.00 51.44 C ATOM 1162 CG1 ILE A 76 4.349 1.296 0.649 1.00 54.14 C ATOM 1163 CG2 ILE A 76 2.822 0.445 2.457 1.00 34.52 C ATOM 1164 CD1 ILE A 76 5.603 2.091 0.367 1.00 20.25 C ATOM 0 H ILE A 76 4.394 4.266 1.905 1.00 73.23 H new ATOM 0 HA ILE A 76 2.021 2.723 1.105 1.00 30.11 H new ATOM 0 HB ILE A 76 4.438 1.847 2.724 1.00 51.44 H new ATOM 0 HG12 ILE A 76 4.598 0.235 0.644 1.00 54.14 H new ATOM 0 HG13 ILE A 76 3.639 1.461 -0.162 1.00 54.14 H new ATOM 0 HG21 ILE A 76 3.456 -0.438 2.535 1.00 34.52 H new ATOM 0 HG22 ILE A 76 2.388 0.667 3.432 1.00 34.52 H new ATOM 0 HG23 ILE A 76 2.024 0.257 1.739 1.00 34.52 H new ATOM 0 HD11 ILE A 76 6.019 1.786 -0.593 1.00 20.25 H new ATOM 0 HD12 ILE A 76 5.361 3.153 0.336 1.00 20.25 H new ATOM 0 HD13 ILE A 76 6.334 1.908 1.154 1.00 20.25 H new ATOM 1176 N TYR A 77 0.871 2.725 3.341 1.00 63.53 N ATOM 1177 CA TYR A 77 0.059 2.890 4.538 1.00 71.32 C ATOM 1178 C TYR A 77 -0.461 1.527 4.975 1.00 44.34 C ATOM 1179 O TYR A 77 -0.409 0.563 4.208 1.00 4.44 O ATOM 1180 CB TYR A 77 -1.137 3.822 4.256 1.00 41.23 C ATOM 1181 CG TYR A 77 -0.764 5.263 3.949 1.00 72.41 C ATOM 1182 CD1 TYR A 77 -0.094 5.602 2.779 1.00 45.04 C ATOM 1183 CD2 TYR A 77 -1.088 6.286 4.833 1.00 12.40 C ATOM 1184 CE1 TYR A 77 0.246 6.913 2.504 1.00 13.51 C ATOM 1185 CE2 TYR A 77 -0.753 7.600 4.563 1.00 74.42 C ATOM 1186 CZ TYR A 77 -0.085 7.909 3.397 1.00 25.12 C ATOM 1187 OH TYR A 77 0.256 9.216 3.124 1.00 10.40 O ATOM 0 H TYR A 77 0.396 2.213 2.598 1.00 63.53 H new ATOM 0 HA TYR A 77 0.671 3.332 5.324 1.00 71.32 H new ATOM 0 HB2 TYR A 77 -1.702 3.421 3.415 1.00 41.23 H new ATOM 0 HB3 TYR A 77 -1.801 3.810 5.120 1.00 41.23 H new ATOM 0 HD1 TYR A 77 0.165 4.827 2.073 1.00 45.04 H new ATOM 0 HD2 TYR A 77 -1.611 6.050 5.748 1.00 12.40 H new ATOM 0 HE1 TYR A 77 0.770 7.156 1.591 1.00 13.51 H new ATOM 0 HE2 TYR A 77 -1.013 8.381 5.262 1.00 74.42 H new ATOM 0 HH TYR A 77 -0.051 9.793 3.854 1.00 10.40 H new ATOM 1197 N LYS A 78 -0.955 1.452 6.202 1.00 44.33 N ATOM 1198 CA LYS A 78 -1.603 0.243 6.700 1.00 73.14 C ATOM 1199 C LYS A 78 -2.451 0.568 7.924 1.00 24.43 C ATOM 1200 O LYS A 78 -2.309 1.640 8.524 1.00 23.05 O ATOM 1201 CB LYS A 78 -0.569 -0.837 7.045 1.00 2.41 C ATOM 1202 CG LYS A 78 0.430 -0.420 8.117 1.00 42.00 C ATOM 1203 CD LYS A 78 1.399 -1.548 8.452 1.00 74.55 C ATOM 1204 CE LYS A 78 2.420 -1.119 9.494 1.00 62.25 C ATOM 1205 NZ LYS A 78 3.237 0.035 9.029 1.00 1.15 N ATOM 0 H LYS A 78 -0.920 2.217 6.876 1.00 44.33 H new ATOM 0 HA LYS A 78 -2.248 -0.145 5.911 1.00 73.14 H new ATOM 0 HB2 LYS A 78 -1.092 -1.733 7.380 1.00 2.41 H new ATOM 0 HB3 LYS A 78 -0.024 -1.106 6.140 1.00 2.41 H new ATOM 0 HG2 LYS A 78 0.989 0.451 7.775 1.00 42.00 H new ATOM 0 HG3 LYS A 78 -0.106 -0.121 9.018 1.00 42.00 H new ATOM 0 HD2 LYS A 78 0.842 -2.409 8.821 1.00 74.55 H new ATOM 0 HD3 LYS A 78 1.915 -1.866 7.546 1.00 74.55 H new ATOM 0 HE2 LYS A 78 1.906 -0.851 10.417 1.00 62.25 H new ATOM 0 HE3 LYS A 78 3.076 -1.958 9.726 1.00 62.25 H new ATOM 0 HZ1 LYS A 78 3.849 0.361 9.804 1.00 1.15 H new ATOM 0 HZ2 LYS A 78 3.825 -0.258 8.223 1.00 1.15 H new ATOM 0 HZ3 LYS A 78 2.608 0.810 8.735 1.00 1.15 H new ATOM 1219 N ILE A 79 -3.327 -0.360 8.288 1.00 52.54 N ATOM 1220 CA ILE A 79 -4.214 -0.180 9.430 1.00 24.04 C ATOM 1221 C ILE A 79 -3.413 -0.188 10.736 1.00 60.02 C ATOM 1222 O ILE A 79 -2.586 -1.070 10.968 1.00 75.31 O ATOM 1223 CB ILE A 79 -5.324 -1.269 9.464 1.00 4.25 C ATOM 1224 CG1 ILE A 79 -6.300 -1.026 10.630 1.00 15.11 C ATOM 1225 CG2 ILE A 79 -4.715 -2.672 9.550 1.00 43.33 C ATOM 1226 CD1 ILE A 79 -7.045 0.293 10.546 1.00 4.40 C ATOM 0 H ILE A 79 -3.442 -1.251 7.805 1.00 52.54 H new ATOM 0 HA ILE A 79 -4.702 0.789 9.324 1.00 24.04 H new ATOM 0 HB ILE A 79 -5.886 -1.201 8.532 1.00 4.25 H new ATOM 0 HG12 ILE A 79 -7.025 -1.840 10.659 1.00 15.11 H new ATOM 0 HG13 ILE A 79 -5.745 -1.059 11.568 1.00 15.11 H new ATOM 0 HG21 ILE A 79 -5.513 -3.414 9.572 1.00 43.33 H new ATOM 0 HG22 ILE A 79 -4.081 -2.847 8.681 1.00 43.33 H new ATOM 0 HG23 ILE A 79 -4.117 -2.754 10.458 1.00 43.33 H new ATOM 0 HD11 ILE A 79 -7.712 0.389 11.403 1.00 4.40 H new ATOM 0 HD12 ILE A 79 -6.330 1.116 10.549 1.00 4.40 H new ATOM 0 HD13 ILE A 79 -7.629 0.323 9.626 1.00 4.40 H new ATOM 1238 N ASN A 80 -3.641 0.823 11.569 1.00 61.13 N ATOM 1239 CA ASN A 80 -2.938 0.962 12.846 1.00 55.20 C ATOM 1240 C ASN A 80 -3.763 0.363 13.979 1.00 33.53 C ATOM 1241 O ASN A 80 -3.253 0.118 15.076 1.00 13.32 O ATOM 1242 CB ASN A 80 -2.657 2.443 13.137 1.00 4.44 C ATOM 1243 CG ASN A 80 -1.857 2.669 14.415 1.00 32.35 C ATOM 1244 OD1 ASN A 80 -2.036 3.674 15.098 1.00 62.20 O ATOM 1245 ND2 ASN A 80 -0.959 1.749 14.742 1.00 5.32 N ATOM 0 H ASN A 80 -4.314 1.567 11.382 1.00 61.13 H new ATOM 0 HA ASN A 80 -1.992 0.424 12.777 1.00 55.20 H new ATOM 0 HB2 ASN A 80 -2.113 2.874 12.296 1.00 4.44 H new ATOM 0 HB3 ASN A 80 -3.604 2.977 13.211 1.00 4.44 H new ATOM 0 HD21 ASN A 80 -0.393 1.865 15.582 1.00 5.32 H new ATOM 0 HD22 ASN A 80 -0.835 0.925 14.153 1.00 5.32 H new ATOM 1252 N ILE A 81 -5.042 0.141 13.709 1.00 74.44 N ATOM 1253 CA ILE A 81 -5.964 -0.393 14.702 1.00 50.15 C ATOM 1254 C ILE A 81 -6.213 -1.876 14.436 1.00 64.34 C ATOM 1255 O ILE A 81 -6.952 -2.229 13.519 1.00 71.43 O ATOM 1256 CB ILE A 81 -7.313 0.375 14.679 1.00 63.44 C ATOM 1257 CG1 ILE A 81 -7.072 1.884 14.855 1.00 73.05 C ATOM 1258 CG2 ILE A 81 -8.252 -0.152 15.763 1.00 61.41 C ATOM 1259 CD1 ILE A 81 -8.332 2.722 14.779 1.00 55.22 C ATOM 0 H ILE A 81 -5.468 0.325 12.801 1.00 74.44 H new ATOM 0 HA ILE A 81 -5.513 -0.269 15.687 1.00 50.15 H new ATOM 0 HB ILE A 81 -7.787 0.212 13.711 1.00 63.44 H new ATOM 0 HG12 ILE A 81 -6.592 2.055 15.818 1.00 73.05 H new ATOM 0 HG13 ILE A 81 -6.376 2.222 14.087 1.00 73.05 H new ATOM 0 HG21 ILE A 81 -9.192 0.399 15.730 1.00 61.41 H new ATOM 0 HG22 ILE A 81 -8.446 -1.211 15.593 1.00 61.41 H new ATOM 0 HG23 ILE A 81 -7.789 -0.021 16.741 1.00 61.41 H new ATOM 0 HD11 ILE A 81 -8.078 3.774 14.912 1.00 55.22 H new ATOM 0 HD12 ILE A 81 -8.803 2.583 13.806 1.00 55.22 H new ATOM 0 HD13 ILE A 81 -9.022 2.413 15.564 1.00 55.22 H new ATOM 1271 N GLU A 82 -5.585 -2.739 15.231 1.00 64.31 N ATOM 1272 CA GLU A 82 -5.741 -4.188 15.078 1.00 52.22 C ATOM 1273 C GLU A 82 -7.189 -4.611 15.333 1.00 20.25 C ATOM 1274 O GLU A 82 -7.602 -5.709 14.966 1.00 70.04 O ATOM 1275 CB GLU A 82 -4.793 -4.945 16.019 1.00 61.23 C ATOM 1276 CG GLU A 82 -5.048 -4.695 17.502 1.00 71.54 C ATOM 1277 CD GLU A 82 -4.207 -5.596 18.393 1.00 1.31 C ATOM 1278 OE1 GLU A 82 -4.659 -6.717 18.707 1.00 22.51 O ATOM 1279 OE2 GLU A 82 -3.090 -5.193 18.774 1.00 72.25 O ATOM 0 H GLU A 82 -4.962 -2.462 15.990 1.00 64.31 H new ATOM 0 HA GLU A 82 -5.482 -4.443 14.050 1.00 52.22 H new ATOM 0 HB2 GLU A 82 -4.882 -6.013 15.822 1.00 61.23 H new ATOM 0 HB3 GLU A 82 -3.766 -4.662 15.786 1.00 61.23 H new ATOM 0 HG2 GLU A 82 -4.831 -3.653 17.735 1.00 71.54 H new ATOM 0 HG3 GLU A 82 -6.104 -4.857 17.719 1.00 71.54 H new ATOM 1286 N ASP A 83 -7.939 -3.737 15.996 1.00 42.42 N ATOM 1287 CA ASP A 83 -9.355 -3.973 16.290 1.00 11.31 C ATOM 1288 C ASP A 83 -10.217 -3.773 15.038 1.00 13.12 C ATOM 1289 O ASP A 83 -11.381 -4.178 15.000 1.00 72.44 O ATOM 1290 CB ASP A 83 -9.809 -3.023 17.410 1.00 41.43 C ATOM 1291 CG ASP A 83 -11.270 -3.203 17.804 1.00 11.11 C ATOM 1292 OD1 ASP A 83 -11.568 -4.115 18.605 1.00 61.11 O ATOM 1293 OD2 ASP A 83 -12.123 -2.422 17.329 1.00 21.41 O ATOM 0 H ASP A 83 -7.587 -2.846 16.346 1.00 42.42 H new ATOM 0 HA ASP A 83 -9.478 -5.005 16.618 1.00 11.31 H new ATOM 0 HB2 ASP A 83 -9.182 -3.182 18.287 1.00 41.43 H new ATOM 0 HB3 ASP A 83 -9.652 -1.993 17.088 1.00 41.43 H new ATOM 1298 N ASN A 84 -9.635 -3.157 14.010 1.00 53.25 N ATOM 1299 CA ASN A 84 -10.364 -2.849 12.776 1.00 15.51 C ATOM 1300 C ASN A 84 -10.022 -3.837 11.665 1.00 51.13 C ATOM 1301 O ASN A 84 -8.864 -3.966 11.268 1.00 74.12 O ATOM 1302 CB ASN A 84 -10.053 -1.420 12.298 1.00 31.22 C ATOM 1303 CG ASN A 84 -10.691 -1.101 10.949 1.00 50.51 C ATOM 1304 OD1 ASN A 84 -10.089 -1.304 9.894 1.00 55.12 O ATOM 1305 ND2 ASN A 84 -11.918 -0.610 10.975 1.00 20.52 N ATOM 0 H ASN A 84 -8.659 -2.860 14.005 1.00 53.25 H new ATOM 0 HA ASN A 84 -11.427 -2.931 13.003 1.00 15.51 H new ATOM 0 HB2 ASN A 84 -10.408 -0.707 13.042 1.00 31.22 H new ATOM 0 HB3 ASN A 84 -8.973 -1.292 12.224 1.00 31.22 H new ATOM 0 HD21 ASN A 84 -12.396 -0.386 10.102 1.00 20.52 H new ATOM 0 HD22 ASN A 84 -12.386 -0.455 11.868 1.00 20.52 H new ATOM 1312 N GLN A 85 -11.038 -4.548 11.183 1.00 65.24 N ATOM 1313 CA GLN A 85 -10.914 -5.365 9.976 1.00 25.03 C ATOM 1314 C GLN A 85 -11.897 -4.868 8.920 1.00 65.30 C ATOM 1315 O GLN A 85 -11.903 -5.349 7.788 1.00 33.44 O ATOM 1316 CB GLN A 85 -11.169 -6.857 10.266 1.00 1.33 C ATOM 1317 CG GLN A 85 -10.061 -7.541 11.065 1.00 72.11 C ATOM 1318 CD GLN A 85 -10.042 -7.147 12.531 1.00 73.41 C ATOM 1319 OE1 GLN A 85 -11.083 -6.878 13.134 1.00 10.51 O ATOM 1320 NE2 GLN A 85 -8.857 -7.109 13.113 1.00 42.44 N ATOM 0 H GLN A 85 -11.963 -4.575 11.612 1.00 65.24 H new ATOM 0 HA GLN A 85 -9.892 -5.269 9.609 1.00 25.03 H new ATOM 0 HB2 GLN A 85 -12.107 -6.954 10.812 1.00 1.33 H new ATOM 0 HB3 GLN A 85 -11.296 -7.383 9.319 1.00 1.33 H new ATOM 0 HG2 GLN A 85 -10.182 -8.622 10.989 1.00 72.11 H new ATOM 0 HG3 GLN A 85 -9.097 -7.296 10.618 1.00 72.11 H new ATOM 0 HE21 GLN A 85 -8.019 -7.339 12.579 1.00 42.44 H new ATOM 0 HE22 GLN A 85 -8.780 -6.850 14.097 1.00 42.44 H new ATOM 1329 N ASP A 86 -12.701 -3.876 9.306 1.00 42.31 N ATOM 1330 CA ASP A 86 -13.772 -3.336 8.466 1.00 11.43 C ATOM 1331 C ASP A 86 -13.278 -3.040 7.054 1.00 41.13 C ATOM 1332 O ASP A 86 -13.894 -3.459 6.073 1.00 34.55 O ATOM 1333 CB ASP A 86 -14.343 -2.061 9.100 1.00 14.54 C ATOM 1334 CG ASP A 86 -14.908 -2.300 10.493 1.00 0.31 C ATOM 1335 OD1 ASP A 86 -14.113 -2.530 11.430 1.00 61.30 O ATOM 1336 OD2 ASP A 86 -16.147 -2.266 10.660 1.00 4.12 O ATOM 0 H ASP A 86 -12.627 -3.422 10.216 1.00 42.31 H new ATOM 0 HA ASP A 86 -14.556 -4.090 8.396 1.00 11.43 H new ATOM 0 HB2 ASP A 86 -13.560 -1.305 9.155 1.00 14.54 H new ATOM 0 HB3 ASP A 86 -15.128 -1.661 8.458 1.00 14.54 H new ATOM 1341 N VAL A 87 -12.155 -2.328 6.960 1.00 73.10 N ATOM 1342 CA VAL A 87 -11.555 -1.992 5.669 1.00 53.23 C ATOM 1343 C VAL A 87 -11.309 -3.258 4.840 1.00 20.52 C ATOM 1344 O VAL A 87 -11.540 -3.277 3.624 1.00 12.41 O ATOM 1345 CB VAL A 87 -10.215 -1.227 5.847 1.00 74.33 C ATOM 1346 CG1 VAL A 87 -9.602 -0.866 4.492 1.00 51.04 C ATOM 1347 CG2 VAL A 87 -10.418 0.028 6.699 1.00 64.23 C ATOM 0 H VAL A 87 -11.641 -1.972 7.766 1.00 73.10 H new ATOM 0 HA VAL A 87 -12.259 -1.346 5.145 1.00 53.23 H new ATOM 0 HB VAL A 87 -9.519 -1.886 6.366 1.00 74.33 H new ATOM 0 HG11 VAL A 87 -8.665 -0.331 4.647 1.00 51.04 H new ATOM 0 HG12 VAL A 87 -9.410 -1.777 3.925 1.00 51.04 H new ATOM 0 HG13 VAL A 87 -10.294 -0.232 3.937 1.00 51.04 H new ATOM 0 HG21 VAL A 87 -9.467 0.549 6.811 1.00 64.23 H new ATOM 0 HG22 VAL A 87 -11.137 0.686 6.212 1.00 64.23 H new ATOM 0 HG23 VAL A 87 -10.794 -0.256 7.682 1.00 64.23 H new ATOM 1357 N ALA A 88 -10.882 -4.326 5.510 1.00 33.14 N ATOM 1358 CA ALA A 88 -10.580 -5.585 4.838 1.00 53.13 C ATOM 1359 C ALA A 88 -11.867 -6.219 4.323 1.00 40.25 C ATOM 1360 O ALA A 88 -11.925 -6.712 3.192 1.00 40.22 O ATOM 1361 CB ALA A 88 -9.849 -6.530 5.787 1.00 25.54 C ATOM 0 H ALA A 88 -10.738 -4.343 6.520 1.00 33.14 H new ATOM 0 HA ALA A 88 -9.927 -5.388 3.988 1.00 53.13 H new ATOM 0 HB1 ALA A 88 -9.630 -7.465 5.272 1.00 25.54 H new ATOM 0 HB2 ALA A 88 -8.917 -6.069 6.113 1.00 25.54 H new ATOM 0 HB3 ALA A 88 -10.477 -6.732 6.655 1.00 25.54 H new ATOM 1367 N THR A 89 -12.900 -6.179 5.158 1.00 54.33 N ATOM 1368 CA THR A 89 -14.207 -6.710 4.803 1.00 50.21 C ATOM 1369 C THR A 89 -14.777 -5.970 3.591 1.00 24.30 C ATOM 1370 O THR A 89 -15.389 -6.576 2.709 1.00 13.44 O ATOM 1371 CB THR A 89 -15.185 -6.592 5.997 1.00 44.41 C ATOM 1372 OG1 THR A 89 -14.571 -7.129 7.179 1.00 62.42 O ATOM 1373 CG2 THR A 89 -16.494 -7.328 5.719 1.00 2.30 C ATOM 0 H THR A 89 -12.853 -5.779 6.095 1.00 54.33 H new ATOM 0 HA THR A 89 -14.086 -7.763 4.549 1.00 50.21 H new ATOM 0 HB THR A 89 -15.414 -5.537 6.145 1.00 44.41 H new ATOM 0 HG1 THR A 89 -15.191 -7.052 7.934 1.00 62.42 H new ATOM 0 HG21 THR A 89 -17.158 -7.226 6.577 1.00 2.30 H new ATOM 0 HG22 THR A 89 -16.972 -6.901 4.837 1.00 2.30 H new ATOM 0 HG23 THR A 89 -16.288 -8.384 5.544 1.00 2.30 H new ATOM 1381 N GLN A 90 -14.550 -4.656 3.546 1.00 53.43 N ATOM 1382 CA GLN A 90 -15.057 -3.821 2.458 1.00 24.12 C ATOM 1383 C GLN A 90 -14.332 -4.119 1.145 1.00 3.32 C ATOM 1384 O GLN A 90 -14.963 -4.331 0.108 1.00 75.33 O ATOM 1385 CB GLN A 90 -14.904 -2.329 2.798 1.00 75.22 C ATOM 1386 CG GLN A 90 -15.634 -1.893 4.064 1.00 54.42 C ATOM 1387 CD GLN A 90 -17.122 -2.202 4.038 1.00 1.51 C ATOM 1388 OE1 GLN A 90 -17.752 -2.240 2.977 1.00 30.12 O ATOM 1389 NE2 GLN A 90 -17.700 -2.410 5.211 1.00 71.12 N ATOM 0 H GLN A 90 -14.018 -4.147 4.252 1.00 53.43 H new ATOM 0 HA GLN A 90 -16.114 -4.056 2.336 1.00 24.12 H new ATOM 0 HB2 GLN A 90 -13.844 -2.101 2.908 1.00 75.22 H new ATOM 0 HB3 GLN A 90 -15.272 -1.738 1.959 1.00 75.22 H new ATOM 0 HG2 GLN A 90 -15.182 -2.388 4.924 1.00 54.42 H new ATOM 0 HG3 GLN A 90 -15.495 -0.821 4.204 1.00 54.42 H new ATOM 0 HE21 GLN A 90 -17.146 -2.370 6.067 1.00 71.12 H new ATOM 0 HE22 GLN A 90 -18.699 -2.610 5.259 1.00 71.12 H new ATOM 1398 N TYR A 91 -13.001 -4.128 1.195 1.00 53.01 N ATOM 1399 CA TYR A 91 -12.189 -4.277 -0.015 1.00 71.54 C ATOM 1400 C TYR A 91 -11.897 -5.745 -0.333 1.00 5.52 C ATOM 1401 O TYR A 91 -11.261 -6.049 -1.347 1.00 53.24 O ATOM 1402 CB TYR A 91 -10.894 -3.462 0.115 1.00 63.51 C ATOM 1403 CG TYR A 91 -11.145 -1.962 0.098 1.00 0.22 C ATOM 1404 CD1 TYR A 91 -11.658 -1.310 1.216 1.00 43.40 C ATOM 1405 CD2 TYR A 91 -10.886 -1.203 -1.039 1.00 70.44 C ATOM 1406 CE1 TYR A 91 -11.909 0.048 1.199 1.00 34.31 C ATOM 1407 CE2 TYR A 91 -11.130 0.158 -1.060 1.00 71.34 C ATOM 1408 CZ TYR A 91 -11.642 0.777 0.060 1.00 11.40 C ATOM 1409 OH TYR A 91 -11.894 2.132 0.043 1.00 22.35 O ATOM 0 H TYR A 91 -12.462 -4.034 2.056 1.00 53.01 H new ATOM 0 HA TYR A 91 -12.763 -3.886 -0.855 1.00 71.54 H new ATOM 0 HB2 TYR A 91 -10.390 -3.732 1.043 1.00 63.51 H new ATOM 0 HB3 TYR A 91 -10.221 -3.724 -0.701 1.00 63.51 H new ATOM 0 HD1 TYR A 91 -11.863 -1.876 2.112 1.00 43.40 H new ATOM 0 HD2 TYR A 91 -10.488 -1.685 -1.920 1.00 70.44 H new ATOM 0 HE1 TYR A 91 -12.312 0.536 2.074 1.00 34.31 H new ATOM 0 HE2 TYR A 91 -10.920 0.733 -1.950 1.00 71.34 H new ATOM 0 HH TYR A 91 -11.651 2.499 -0.833 1.00 22.35 H new ATOM 1419 N GLY A 92 -12.360 -6.648 0.531 1.00 1.44 N ATOM 1420 CA GLY A 92 -12.294 -8.071 0.239 1.00 24.15 C ATOM 1421 C GLY A 92 -10.890 -8.632 0.344 1.00 33.24 C ATOM 1422 O GLY A 92 -10.365 -9.197 -0.618 1.00 14.13 O ATOM 0 H GLY A 92 -12.781 -6.417 1.431 1.00 1.44 H new ATOM 0 HA2 GLY A 92 -12.947 -8.608 0.927 1.00 24.15 H new ATOM 0 HA3 GLY A 92 -12.676 -8.248 -0.766 1.00 24.15 H new ATOM 1426 N VAL A 93 -10.276 -8.471 1.507 1.00 74.43 N ATOM 1427 CA VAL A 93 -8.963 -9.046 1.767 1.00 64.33 C ATOM 1428 C VAL A 93 -9.114 -10.513 2.175 1.00 15.32 C ATOM 1429 O VAL A 93 -9.343 -10.826 3.345 1.00 32.44 O ATOM 1430 CB VAL A 93 -8.200 -8.259 2.863 1.00 11.41 C ATOM 1431 CG1 VAL A 93 -6.835 -8.886 3.147 1.00 2.11 C ATOM 1432 CG2 VAL A 93 -8.045 -6.792 2.458 1.00 52.25 C ATOM 0 H VAL A 93 -10.667 -7.945 2.289 1.00 74.43 H new ATOM 0 HA VAL A 93 -8.377 -8.981 0.850 1.00 64.33 H new ATOM 0 HB VAL A 93 -8.786 -8.307 3.781 1.00 11.41 H new ATOM 0 HG11 VAL A 93 -6.324 -8.311 3.920 1.00 2.11 H new ATOM 0 HG12 VAL A 93 -6.970 -9.913 3.488 1.00 2.11 H new ATOM 0 HG13 VAL A 93 -6.236 -8.882 2.236 1.00 2.11 H new ATOM 0 HG21 VAL A 93 -7.507 -6.254 3.239 1.00 52.25 H new ATOM 0 HG22 VAL A 93 -7.487 -6.729 1.524 1.00 52.25 H new ATOM 0 HG23 VAL A 93 -9.030 -6.346 2.323 1.00 52.25 H new ATOM 1442 N SER A 94 -9.030 -11.398 1.189 1.00 64.41 N ATOM 1443 CA SER A 94 -9.199 -12.829 1.415 1.00 2.31 C ATOM 1444 C SER A 94 -7.859 -13.483 1.748 1.00 22.32 C ATOM 1445 O SER A 94 -7.798 -14.432 2.537 1.00 75.31 O ATOM 1446 CB SER A 94 -9.825 -13.483 0.170 1.00 63.00 C ATOM 1447 OG SER A 94 -10.043 -14.875 0.360 1.00 21.33 O ATOM 0 H SER A 94 -8.844 -11.147 0.218 1.00 64.41 H new ATOM 0 HA SER A 94 -9.867 -12.975 2.264 1.00 2.31 H new ATOM 0 HB2 SER A 94 -10.772 -12.995 -0.060 1.00 63.00 H new ATOM 0 HB3 SER A 94 -9.171 -13.331 -0.689 1.00 63.00 H new ATOM 0 HG SER A 94 -10.443 -15.257 -0.449 1.00 21.33 H new ATOM 1453 N ALA A 95 -6.790 -12.975 1.144 1.00 5.21 N ATOM 1454 CA ALA A 95 -5.453 -13.507 1.371 1.00 43.33 C ATOM 1455 C ALA A 95 -4.843 -12.879 2.618 1.00 34.03 C ATOM 1456 O ALA A 95 -5.066 -11.698 2.894 1.00 40.42 O ATOM 1457 CB ALA A 95 -4.569 -13.254 0.155 1.00 11.43 C ATOM 0 H ALA A 95 -6.825 -12.192 0.491 1.00 5.21 H new ATOM 0 HA ALA A 95 -5.524 -14.584 1.525 1.00 43.33 H new ATOM 0 HB1 ALA A 95 -3.573 -13.657 0.339 1.00 11.43 H new ATOM 0 HB2 ALA A 95 -5.002 -13.742 -0.718 1.00 11.43 H new ATOM 0 HB3 ALA A 95 -4.499 -12.182 -0.027 1.00 11.43 H new ATOM 1463 N ILE A 96 -4.078 -13.670 3.368 1.00 44.14 N ATOM 1464 CA ILE A 96 -3.430 -13.186 4.586 1.00 14.23 C ATOM 1465 C ILE A 96 -2.491 -12.007 4.271 1.00 14.20 C ATOM 1466 O ILE A 96 -2.603 -10.946 4.892 1.00 22.11 O ATOM 1467 CB ILE A 96 -2.656 -14.322 5.316 1.00 53.40 C ATOM 1468 CG1 ILE A 96 -3.600 -15.493 5.650 1.00 74.44 C ATOM 1469 CG2 ILE A 96 -1.974 -13.797 6.579 1.00 2.45 C ATOM 1470 CD1 ILE A 96 -4.752 -15.121 6.565 1.00 22.22 C ATOM 0 H ILE A 96 -3.891 -14.650 3.154 1.00 44.14 H new ATOM 0 HA ILE A 96 -4.214 -12.837 5.258 1.00 14.23 H new ATOM 0 HB ILE A 96 -1.880 -14.689 4.644 1.00 53.40 H new ATOM 0 HG12 ILE A 96 -4.004 -15.896 4.721 1.00 74.44 H new ATOM 0 HG13 ILE A 96 -3.021 -16.289 6.118 1.00 74.44 H new ATOM 0 HG21 ILE A 96 -1.440 -14.611 7.070 1.00 2.45 H new ATOM 0 HG22 ILE A 96 -1.269 -13.010 6.311 1.00 2.45 H new ATOM 0 HG23 ILE A 96 -2.726 -13.395 7.258 1.00 2.45 H new ATOM 0 HD11 ILE A 96 -5.368 -16.001 6.750 1.00 22.22 H new ATOM 0 HD12 ILE A 96 -4.359 -14.747 7.511 1.00 22.22 H new ATOM 0 HD13 ILE A 96 -5.357 -14.347 6.092 1.00 22.22 H new ATOM 1482 N PRO A 97 -1.556 -12.158 3.301 1.00 3.54 N ATOM 1483 CA PRO A 97 -0.722 -11.060 2.844 1.00 33.25 C ATOM 1484 C PRO A 97 -1.338 -10.369 1.625 1.00 43.34 C ATOM 1485 O PRO A 97 -1.436 -10.962 0.546 1.00 45.51 O ATOM 1486 CB PRO A 97 0.591 -11.765 2.479 1.00 73.12 C ATOM 1487 CG PRO A 97 0.212 -13.177 2.127 1.00 44.44 C ATOM 1488 CD PRO A 97 -1.220 -13.396 2.571 1.00 53.13 C ATOM 0 HA PRO A 97 -0.597 -10.272 3.587 1.00 33.25 H new ATOM 0 HB2 PRO A 97 1.081 -11.271 1.640 1.00 73.12 H new ATOM 0 HB3 PRO A 97 1.291 -11.744 3.314 1.00 73.12 H new ATOM 0 HG2 PRO A 97 0.309 -13.342 1.054 1.00 44.44 H new ATOM 0 HG3 PRO A 97 0.878 -13.886 2.620 1.00 44.44 H new ATOM 0 HD2 PRO A 97 -1.883 -13.551 1.720 1.00 53.13 H new ATOM 0 HD3 PRO A 97 -1.311 -14.274 3.210 1.00 53.13 H new ATOM 1496 N THR A 98 -1.770 -9.128 1.799 1.00 15.34 N ATOM 1497 CA THR A 98 -2.430 -8.395 0.726 1.00 11.21 C ATOM 1498 C THR A 98 -1.929 -6.951 0.651 1.00 44.43 C ATOM 1499 O THR A 98 -1.638 -6.324 1.679 1.00 62.25 O ATOM 1500 CB THR A 98 -3.967 -8.408 0.914 1.00 73.34 C ATOM 1501 OG1 THR A 98 -4.434 -9.764 0.988 1.00 32.50 O ATOM 1502 CG2 THR A 98 -4.680 -7.685 -0.229 1.00 12.12 C ATOM 0 H THR A 98 -1.676 -8.608 2.671 1.00 15.34 H new ATOM 0 HA THR A 98 -2.184 -8.896 -0.210 1.00 11.21 H new ATOM 0 HB THR A 98 -4.195 -7.883 1.841 1.00 73.34 H new ATOM 0 HG1 THR A 98 -4.508 -10.034 1.927 1.00 32.50 H new ATOM 0 HG21 THR A 98 -5.757 -7.715 -0.063 1.00 12.12 H new ATOM 0 HG22 THR A 98 -4.347 -6.648 -0.267 1.00 12.12 H new ATOM 0 HG23 THR A 98 -4.445 -8.176 -1.173 1.00 12.12 H new ATOM 1510 N ILE A 99 -1.787 -6.452 -0.581 1.00 21.34 N ATOM 1511 CA ILE A 99 -1.429 -5.060 -0.837 1.00 22.33 C ATOM 1512 C ILE A 99 -2.491 -4.402 -1.724 1.00 32.02 C ATOM 1513 O ILE A 99 -2.741 -4.850 -2.843 1.00 44.43 O ATOM 1514 CB ILE A 99 -0.033 -4.928 -1.525 1.00 54.22 C ATOM 1515 CG1 ILE A 99 1.119 -5.195 -0.531 1.00 51.41 C ATOM 1516 CG2 ILE A 99 0.139 -3.547 -2.166 1.00 71.31 C ATOM 1517 CD1 ILE A 99 1.294 -6.650 -0.144 1.00 52.41 C ATOM 0 H ILE A 99 -1.918 -7.006 -1.428 1.00 21.34 H new ATOM 0 HA ILE A 99 -1.378 -4.557 0.129 1.00 22.33 H new ATOM 0 HB ILE A 99 0.009 -5.685 -2.308 1.00 54.22 H new ATOM 0 HG12 ILE A 99 2.050 -4.835 -0.969 1.00 51.41 H new ATOM 0 HG13 ILE A 99 0.944 -4.611 0.373 1.00 51.41 H new ATOM 0 HG21 ILE A 99 1.120 -3.484 -2.637 1.00 71.31 H new ATOM 0 HG22 ILE A 99 -0.635 -3.396 -2.918 1.00 71.31 H new ATOM 0 HG23 ILE A 99 0.055 -2.777 -1.399 1.00 71.31 H new ATOM 0 HD11 ILE A 99 2.124 -6.743 0.556 1.00 52.41 H new ATOM 0 HD12 ILE A 99 0.380 -7.014 0.326 1.00 52.41 H new ATOM 0 HD13 ILE A 99 1.503 -7.241 -1.036 1.00 52.41 H new ATOM 1529 N LEU A 100 -3.129 -3.360 -1.206 1.00 63.04 N ATOM 1530 CA LEU A 100 -4.079 -2.561 -1.977 1.00 55.52 C ATOM 1531 C LEU A 100 -3.353 -1.353 -2.565 1.00 63.24 C ATOM 1532 O LEU A 100 -2.648 -0.649 -1.849 1.00 41.04 O ATOM 1533 CB LEU A 100 -5.232 -2.089 -1.077 1.00 2.34 C ATOM 1534 CG LEU A 100 -6.069 -3.203 -0.426 1.00 43.34 C ATOM 1535 CD1 LEU A 100 -7.115 -2.607 0.516 1.00 51.53 C ATOM 1536 CD2 LEU A 100 -6.734 -4.073 -1.491 1.00 23.40 C ATOM 0 H LEU A 100 -3.005 -3.044 -0.244 1.00 63.04 H new ATOM 0 HA LEU A 100 -4.493 -3.170 -2.781 1.00 55.52 H new ATOM 0 HB2 LEU A 100 -4.819 -1.462 -0.287 1.00 2.34 H new ATOM 0 HB3 LEU A 100 -5.896 -1.460 -1.669 1.00 2.34 H new ATOM 0 HG LEU A 100 -5.401 -3.835 0.159 1.00 43.34 H new ATOM 0 HD11 LEU A 100 -7.698 -3.410 0.967 1.00 51.53 H new ATOM 0 HD12 LEU A 100 -6.616 -2.036 1.299 1.00 51.53 H new ATOM 0 HD13 LEU A 100 -7.778 -1.949 -0.046 1.00 51.53 H new ATOM 0 HD21 LEU A 100 -7.321 -4.854 -1.008 1.00 23.40 H new ATOM 0 HD22 LEU A 100 -7.388 -3.457 -2.108 1.00 23.40 H new ATOM 0 HD23 LEU A 100 -5.968 -4.530 -2.118 1.00 23.40 H new ATOM 1548 N MET A 101 -3.500 -1.123 -3.862 1.00 64.14 N ATOM 1549 CA MET A 101 -2.838 0.004 -4.513 1.00 23.32 C ATOM 1550 C MET A 101 -3.860 1.096 -4.838 1.00 20.54 C ATOM 1551 O MET A 101 -4.977 0.802 -5.268 1.00 73.11 O ATOM 1552 CB MET A 101 -2.120 -0.463 -5.796 1.00 4.53 C ATOM 1553 CG MET A 101 -1.253 -1.707 -5.606 1.00 64.31 C ATOM 1554 SD MET A 101 -0.167 -2.031 -7.009 1.00 73.34 S ATOM 1555 CE MET A 101 0.953 -0.636 -6.901 1.00 65.22 C ATOM 0 H MET A 101 -4.069 -1.698 -4.484 1.00 64.14 H new ATOM 0 HA MET A 101 -2.092 0.415 -3.832 1.00 23.32 H new ATOM 0 HB2 MET A 101 -2.866 -0.667 -6.564 1.00 4.53 H new ATOM 0 HB3 MET A 101 -1.495 0.350 -6.167 1.00 4.53 H new ATOM 0 HG2 MET A 101 -0.649 -1.588 -4.706 1.00 64.31 H new ATOM 0 HG3 MET A 101 -1.898 -2.571 -5.446 1.00 64.31 H new ATOM 0 HE1 MET A 101 0.710 0.087 -7.680 1.00 65.22 H new ATOM 0 HE2 MET A 101 0.853 -0.164 -5.924 1.00 65.22 H new ATOM 0 HE3 MET A 101 1.978 -0.981 -7.033 1.00 65.22 H new ATOM 1565 N PHE A 102 -3.476 2.352 -4.613 1.00 25.44 N ATOM 1566 CA PHE A 102 -4.312 3.511 -4.942 1.00 21.41 C ATOM 1567 C PHE A 102 -3.426 4.655 -5.433 1.00 13.44 C ATOM 1568 O PHE A 102 -2.207 4.611 -5.267 1.00 13.24 O ATOM 1569 CB PHE A 102 -5.123 3.968 -3.717 1.00 61.24 C ATOM 1570 CG PHE A 102 -6.094 2.935 -3.209 1.00 11.34 C ATOM 1571 CD1 PHE A 102 -7.341 2.787 -3.799 1.00 3.32 C ATOM 1572 CD2 PHE A 102 -5.760 2.109 -2.144 1.00 14.24 C ATOM 1573 CE1 PHE A 102 -8.233 1.838 -3.339 1.00 73.14 C ATOM 1574 CE2 PHE A 102 -6.648 1.158 -1.683 1.00 12.43 C ATOM 1575 CZ PHE A 102 -7.886 1.022 -2.281 1.00 1.24 C ATOM 0 H PHE A 102 -2.577 2.597 -4.198 1.00 25.44 H new ATOM 0 HA PHE A 102 -5.011 3.224 -5.727 1.00 21.41 H new ATOM 0 HB2 PHE A 102 -4.434 4.230 -2.914 1.00 61.24 H new ATOM 0 HB3 PHE A 102 -5.672 4.874 -3.974 1.00 61.24 H new ATOM 0 HD1 PHE A 102 -7.618 3.422 -4.628 1.00 3.32 H new ATOM 0 HD2 PHE A 102 -4.795 2.212 -1.671 1.00 14.24 H new ATOM 0 HE1 PHE A 102 -9.201 1.734 -3.807 1.00 73.14 H new ATOM 0 HE2 PHE A 102 -6.375 0.520 -0.855 1.00 12.43 H new ATOM 0 HZ PHE A 102 -8.581 0.278 -1.921 1.00 1.24 H new ATOM 1585 N LYS A 103 -4.023 5.673 -6.052 1.00 32.30 N ATOM 1586 CA LYS A 103 -3.269 6.860 -6.460 1.00 15.31 C ATOM 1587 C LYS A 103 -4.167 8.095 -6.486 1.00 4.20 C ATOM 1588 O LYS A 103 -4.973 8.260 -7.401 1.00 21.10 O ATOM 1589 CB LYS A 103 -2.627 6.652 -7.845 1.00 63.10 C ATOM 1590 CG LYS A 103 -1.881 7.884 -8.359 1.00 11.31 C ATOM 1591 CD LYS A 103 -1.275 7.668 -9.746 1.00 61.23 C ATOM 1592 CE LYS A 103 -0.181 6.606 -9.738 1.00 20.11 C ATOM 1593 NZ LYS A 103 0.556 6.565 -11.030 1.00 22.04 N ATOM 0 H LYS A 103 -5.017 5.701 -6.281 1.00 32.30 H new ATOM 0 HA LYS A 103 -2.479 7.018 -5.726 1.00 15.31 H new ATOM 0 HB2 LYS A 103 -1.934 5.812 -7.794 1.00 63.10 H new ATOM 0 HB3 LYS A 103 -3.404 6.382 -8.561 1.00 63.10 H new ATOM 0 HG2 LYS A 103 -2.566 8.731 -8.394 1.00 11.31 H new ATOM 0 HG3 LYS A 103 -1.089 8.144 -7.657 1.00 11.31 H new ATOM 0 HD2 LYS A 103 -2.060 7.373 -10.442 1.00 61.23 H new ATOM 0 HD3 LYS A 103 -0.863 8.609 -10.111 1.00 61.23 H new ATOM 0 HE2 LYS A 103 0.518 6.810 -8.927 1.00 20.11 H new ATOM 0 HE3 LYS A 103 -0.623 5.630 -9.540 1.00 20.11 H new ATOM 0 HZ1 LYS A 103 1.570 6.425 -10.847 1.00 22.04 H new ATOM 0 HZ2 LYS A 103 0.197 5.780 -11.610 1.00 22.04 H new ATOM 0 HZ3 LYS A 103 0.417 7.462 -11.538 1.00 22.04 H new ATOM 1607 N ASN A 104 -4.012 8.956 -5.479 1.00 41.14 N ATOM 1608 CA ASN A 104 -4.755 10.220 -5.389 1.00 42.11 C ATOM 1609 C ASN A 104 -6.248 9.996 -5.646 1.00 62.11 C ATOM 1610 O ASN A 104 -6.836 10.578 -6.559 1.00 21.43 O ATOM 1611 CB ASN A 104 -4.162 11.258 -6.365 1.00 0.10 C ATOM 1612 CG ASN A 104 -4.787 12.643 -6.231 1.00 62.42 C ATOM 1613 OD1 ASN A 104 -5.279 13.024 -5.165 1.00 60.21 O ATOM 1614 ND2 ASN A 104 -4.752 13.411 -7.310 1.00 64.22 N ATOM 0 H ASN A 104 -3.369 8.800 -4.702 1.00 41.14 H new ATOM 0 HA ASN A 104 -4.655 10.613 -4.377 1.00 42.11 H new ATOM 0 HB2 ASN A 104 -3.088 11.334 -6.194 1.00 0.10 H new ATOM 0 HB3 ASN A 104 -4.298 10.904 -7.387 1.00 0.10 H new ATOM 0 HD21 ASN A 104 -5.140 14.354 -7.278 1.00 64.22 H new ATOM 0 HD22 ASN A 104 -4.337 13.060 -8.173 1.00 64.22 H new ATOM 1621 N GLY A 105 -6.837 9.102 -4.854 1.00 21.35 N ATOM 1622 CA GLY A 105 -8.261 8.799 -4.966 1.00 43.21 C ATOM 1623 C GLY A 105 -8.614 7.940 -6.176 1.00 54.34 C ATOM 1624 O GLY A 105 -9.698 7.349 -6.226 1.00 41.24 O ATOM 0 H GLY A 105 -6.350 8.576 -4.129 1.00 21.35 H new ATOM 0 HA2 GLY A 105 -8.586 8.286 -4.061 1.00 43.21 H new ATOM 0 HA3 GLY A 105 -8.819 9.734 -5.021 1.00 43.21 H new ATOM 1628 N LYS A 106 -7.706 7.857 -7.146 1.00 15.44 N ATOM 1629 CA LYS A 106 -7.920 7.042 -8.340 1.00 43.11 C ATOM 1630 C LYS A 106 -7.607 5.577 -8.040 1.00 54.42 C ATOM 1631 O LYS A 106 -6.674 5.275 -7.281 1.00 24.14 O ATOM 1632 CB LYS A 106 -7.053 7.545 -9.508 1.00 20.14 C ATOM 1633 CG LYS A 106 -7.096 6.644 -10.741 1.00 25.50 C ATOM 1634 CD LYS A 106 -6.292 7.220 -11.904 1.00 15.01 C ATOM 1635 CE LYS A 106 -6.249 6.260 -13.092 1.00 24.33 C ATOM 1636 NZ LYS A 106 -7.609 5.865 -13.546 1.00 62.22 N ATOM 0 H LYS A 106 -6.811 8.346 -7.128 1.00 15.44 H new ATOM 0 HA LYS A 106 -8.967 7.127 -8.631 1.00 43.11 H new ATOM 0 HB2 LYS A 106 -7.383 8.545 -9.789 1.00 20.14 H new ATOM 0 HB3 LYS A 106 -6.021 7.633 -9.170 1.00 20.14 H new ATOM 0 HG2 LYS A 106 -6.705 5.660 -10.483 1.00 25.50 H new ATOM 0 HG3 LYS A 106 -8.132 6.505 -11.051 1.00 25.50 H new ATOM 0 HD2 LYS A 106 -6.732 8.167 -12.217 1.00 15.01 H new ATOM 0 HD3 LYS A 106 -5.276 7.435 -11.573 1.00 15.01 H new ATOM 0 HE2 LYS A 106 -5.715 6.730 -13.918 1.00 24.33 H new ATOM 0 HE3 LYS A 106 -5.687 5.368 -12.816 1.00 24.33 H new ATOM 0 HZ1 LYS A 106 -7.537 5.340 -14.441 1.00 62.22 H new ATOM 0 HZ2 LYS A 106 -8.054 5.262 -12.825 1.00 62.22 H new ATOM 0 HZ3 LYS A 106 -8.188 6.717 -13.690 1.00 62.22 H new ATOM 1650 N LYS A 107 -8.387 4.674 -8.637 1.00 25.20 N ATOM 1651 CA LYS A 107 -8.249 3.249 -8.379 1.00 44.31 C ATOM 1652 C LYS A 107 -6.976 2.696 -9.017 1.00 70.20 C ATOM 1653 O LYS A 107 -6.562 3.115 -10.101 1.00 4.51 O ATOM 1654 CB LYS A 107 -9.482 2.476 -8.875 1.00 71.52 C ATOM 1655 CG LYS A 107 -9.578 1.056 -8.315 1.00 33.53 C ATOM 1656 CD LYS A 107 -9.640 1.061 -6.785 1.00 33.43 C ATOM 1657 CE LYS A 107 -9.752 -0.345 -6.201 1.00 13.23 C ATOM 1658 NZ LYS A 107 -10.997 -1.034 -6.628 1.00 13.25 N ATOM 0 H LYS A 107 -9.122 4.911 -9.304 1.00 25.20 H new ATOM 0 HA LYS A 107 -8.174 3.114 -7.300 1.00 44.31 H new ATOM 0 HB2 LYS A 107 -10.381 3.028 -8.601 1.00 71.52 H new ATOM 0 HB3 LYS A 107 -9.457 2.428 -9.964 1.00 71.52 H new ATOM 0 HG2 LYS A 107 -10.465 0.565 -8.715 1.00 33.53 H new ATOM 0 HG3 LYS A 107 -8.716 0.475 -8.644 1.00 33.53 H new ATOM 0 HD2 LYS A 107 -8.747 1.545 -6.390 1.00 33.43 H new ATOM 0 HD3 LYS A 107 -10.495 1.655 -6.461 1.00 33.43 H new ATOM 0 HE2 LYS A 107 -8.889 -0.934 -6.510 1.00 13.23 H new ATOM 0 HE3 LYS A 107 -9.726 -0.287 -5.113 1.00 13.23 H new ATOM 0 HZ1 LYS A 107 -11.115 -1.910 -6.079 1.00 13.25 H new ATOM 0 HZ2 LYS A 107 -11.813 -0.410 -6.464 1.00 13.25 H new ATOM 0 HZ3 LYS A 107 -10.936 -1.265 -7.640 1.00 13.25 H new ATOM 1672 N LEU A 108 -6.392 1.732 -8.330 1.00 4.00 N ATOM 1673 CA LEU A 108 -5.095 1.157 -8.653 1.00 62.32 C ATOM 1674 C LEU A 108 -5.137 -0.323 -8.269 1.00 63.53 C ATOM 1675 O LEU A 108 -6.082 -0.758 -7.603 1.00 31.04 O ATOM 1676 CB LEU A 108 -3.959 1.916 -7.939 1.00 45.33 C ATOM 1677 CG LEU A 108 -2.831 2.464 -8.837 1.00 53.41 C ATOM 1678 CD1 LEU A 108 -2.068 1.332 -9.514 1.00 13.20 C ATOM 1679 CD2 LEU A 108 -3.384 3.439 -9.877 1.00 70.33 C ATOM 0 H LEU A 108 -6.820 1.312 -7.504 1.00 4.00 H new ATOM 0 HA LEU A 108 -4.888 1.248 -9.719 1.00 62.32 H new ATOM 0 HB2 LEU A 108 -4.397 2.751 -7.392 1.00 45.33 H new ATOM 0 HB3 LEU A 108 -3.514 1.249 -7.200 1.00 45.33 H new ATOM 0 HG LEU A 108 -2.134 3.006 -8.198 1.00 53.41 H new ATOM 0 HD11 LEU A 108 -1.279 1.749 -10.140 1.00 13.20 H new ATOM 0 HD12 LEU A 108 -1.626 0.686 -8.755 1.00 13.20 H new ATOM 0 HD13 LEU A 108 -2.752 0.750 -10.131 1.00 13.20 H new ATOM 0 HD21 LEU A 108 -2.568 3.811 -10.497 1.00 70.33 H new ATOM 0 HD22 LEU A 108 -4.113 2.926 -10.505 1.00 70.33 H new ATOM 0 HD23 LEU A 108 -3.866 4.276 -9.371 1.00 70.33 H new ATOM 1691 N SER A 109 -4.152 -1.095 -8.703 1.00 23.11 N ATOM 1692 CA SER A 109 -4.233 -2.551 -8.685 1.00 54.22 C ATOM 1693 C SER A 109 -4.178 -3.128 -7.266 1.00 72.02 C ATOM 1694 O SER A 109 -4.162 -2.398 -6.278 1.00 51.54 O ATOM 1695 CB SER A 109 -3.044 -3.094 -9.483 1.00 42.12 C ATOM 1696 OG SER A 109 -3.163 -2.796 -10.866 1.00 1.12 O ATOM 0 H SER A 109 -3.275 -0.732 -9.077 1.00 23.11 H new ATOM 0 HA SER A 109 -5.189 -2.846 -9.117 1.00 54.22 H new ATOM 0 HB2 SER A 109 -2.119 -2.666 -9.096 1.00 42.12 H new ATOM 0 HB3 SER A 109 -2.976 -4.173 -9.347 1.00 42.12 H new ATOM 0 HG SER A 109 -2.293 -2.911 -11.302 1.00 1.12 H new ATOM 1702 N GLN A 110 -4.201 -4.451 -7.179 1.00 14.54 N ATOM 1703 CA GLN A 110 -4.167 -5.148 -5.900 1.00 33.14 C ATOM 1704 C GLN A 110 -3.243 -6.352 -6.002 1.00 32.11 C ATOM 1705 O GLN A 110 -3.349 -7.146 -6.938 1.00 23.03 O ATOM 1706 CB GLN A 110 -5.580 -5.602 -5.502 1.00 42.40 C ATOM 1707 CG GLN A 110 -5.639 -6.399 -4.200 1.00 42.43 C ATOM 1708 CD GLN A 110 -7.019 -6.978 -3.928 1.00 74.23 C ATOM 1709 OE1 GLN A 110 -7.768 -7.284 -4.853 1.00 32.04 O ATOM 1710 NE2 GLN A 110 -7.362 -7.141 -2.658 1.00 53.33 N ATOM 0 H GLN A 110 -4.244 -5.069 -7.989 1.00 14.54 H new ATOM 0 HA GLN A 110 -3.793 -4.469 -5.134 1.00 33.14 H new ATOM 0 HB2 GLN A 110 -6.218 -4.723 -5.406 1.00 42.40 H new ATOM 0 HB3 GLN A 110 -5.994 -6.210 -6.306 1.00 42.40 H new ATOM 0 HG2 GLN A 110 -4.911 -7.209 -4.242 1.00 42.43 H new ATOM 0 HG3 GLN A 110 -5.350 -5.754 -3.370 1.00 42.43 H new ATOM 0 HE21 GLN A 110 -6.714 -6.875 -1.917 1.00 53.33 H new ATOM 0 HE22 GLN A 110 -8.274 -7.532 -2.422 1.00 53.33 H new ATOM 1719 N VAL A 111 -2.321 -6.477 -5.060 1.00 13.04 N ATOM 1720 CA VAL A 111 -1.413 -7.611 -5.025 1.00 50.24 C ATOM 1721 C VAL A 111 -1.885 -8.633 -3.996 1.00 25.33 C ATOM 1722 O VAL A 111 -1.817 -8.397 -2.786 1.00 1.15 O ATOM 1723 CB VAL A 111 0.038 -7.174 -4.709 1.00 33.34 C ATOM 1724 CG1 VAL A 111 0.983 -8.375 -4.737 1.00 41.04 C ATOM 1725 CG2 VAL A 111 0.499 -6.092 -5.688 1.00 2.21 C ATOM 0 H VAL A 111 -2.182 -5.803 -4.307 1.00 13.04 H new ATOM 0 HA VAL A 111 -1.417 -8.066 -6.016 1.00 50.24 H new ATOM 0 HB VAL A 111 0.059 -6.753 -3.704 1.00 33.34 H new ATOM 0 HG11 VAL A 111 1.997 -8.045 -4.512 1.00 41.04 H new ATOM 0 HG12 VAL A 111 0.666 -9.105 -3.993 1.00 41.04 H new ATOM 0 HG13 VAL A 111 0.961 -8.832 -5.726 1.00 41.04 H new ATOM 0 HG21 VAL A 111 1.521 -5.798 -5.450 1.00 2.21 H new ATOM 0 HG22 VAL A 111 0.461 -6.482 -6.705 1.00 2.21 H new ATOM 0 HG23 VAL A 111 -0.156 -5.225 -5.607 1.00 2.21 H new ATOM 1735 N ILE A 112 -2.402 -9.749 -4.493 1.00 21.45 N ATOM 1736 CA ILE A 112 -2.845 -10.847 -3.646 1.00 41.33 C ATOM 1737 C ILE A 112 -1.664 -11.767 -3.348 1.00 41.44 C ATOM 1738 O ILE A 112 -1.161 -12.458 -4.238 1.00 4.34 O ATOM 1739 CB ILE A 112 -3.996 -11.668 -4.303 1.00 73.33 C ATOM 1740 CG1 ILE A 112 -5.257 -10.800 -4.508 1.00 60.21 C ATOM 1741 CG2 ILE A 112 -4.330 -12.902 -3.463 1.00 62.21 C ATOM 1742 CD1 ILE A 112 -5.150 -9.793 -5.637 1.00 42.31 C ATOM 0 H ILE A 112 -2.526 -9.918 -5.491 1.00 21.45 H new ATOM 0 HA ILE A 112 -3.233 -10.418 -2.722 1.00 41.33 H new ATOM 0 HB ILE A 112 -3.649 -11.998 -5.282 1.00 73.33 H new ATOM 0 HG12 ILE A 112 -6.106 -11.455 -4.702 1.00 60.21 H new ATOM 0 HG13 ILE A 112 -5.470 -10.267 -3.581 1.00 60.21 H new ATOM 0 HG21 ILE A 112 -5.136 -13.460 -3.940 1.00 62.21 H new ATOM 0 HG22 ILE A 112 -3.448 -13.537 -3.382 1.00 62.21 H new ATOM 0 HG23 ILE A 112 -4.645 -12.590 -2.467 1.00 62.21 H new ATOM 0 HD11 ILE A 112 -6.079 -9.228 -5.709 1.00 42.31 H new ATOM 0 HD12 ILE A 112 -4.324 -9.110 -5.438 1.00 42.31 H new ATOM 0 HD13 ILE A 112 -4.970 -10.317 -6.576 1.00 42.31 H new ATOM 1754 N GLY A 113 -1.217 -11.759 -2.100 1.00 30.23 N ATOM 1755 CA GLY A 113 -0.059 -12.537 -1.714 1.00 11.22 C ATOM 1756 C GLY A 113 1.189 -11.683 -1.651 1.00 14.32 C ATOM 1757 O GLY A 113 1.280 -10.651 -2.323 1.00 15.24 O ATOM 0 H GLY A 113 -1.640 -11.223 -1.343 1.00 30.23 H new ATOM 0 HA2 GLY A 113 -0.236 -12.996 -0.741 1.00 11.22 H new ATOM 0 HA3 GLY A 113 0.090 -13.348 -2.427 1.00 11.22 H new ATOM 1761 N ALA A 114 2.155 -12.113 -0.855 1.00 1.41 N ATOM 1762 CA ALA A 114 3.385 -11.363 -0.654 1.00 34.12 C ATOM 1763 C ALA A 114 4.357 -11.584 -1.816 1.00 43.44 C ATOM 1764 O ALA A 114 5.364 -12.287 -1.675 1.00 24.45 O ATOM 1765 CB ALA A 114 4.018 -11.757 0.679 1.00 14.15 C ATOM 0 H ALA A 114 2.109 -12.988 -0.332 1.00 1.41 H new ATOM 0 HA ALA A 114 3.149 -10.299 -0.626 1.00 34.12 H new ATOM 0 HB1 ALA A 114 4.939 -11.193 0.825 1.00 14.15 H new ATOM 0 HB2 ALA A 114 3.324 -11.536 1.490 1.00 14.15 H new ATOM 0 HB3 ALA A 114 4.243 -12.824 0.674 1.00 14.15 H new ATOM 1771 N ASP A 115 4.037 -11.002 -2.975 1.00 32.32 N ATOM 1772 CA ASP A 115 4.883 -11.130 -4.167 1.00 10.50 C ATOM 1773 C ASP A 115 5.539 -9.788 -4.506 1.00 31.42 C ATOM 1774 O ASP A 115 4.939 -8.916 -5.157 1.00 31.13 O ATOM 1775 CB ASP A 115 4.071 -11.660 -5.359 1.00 72.14 C ATOM 1776 CG ASP A 115 4.956 -12.079 -6.526 1.00 51.32 C ATOM 1777 OD1 ASP A 115 5.528 -13.190 -6.475 1.00 74.11 O ATOM 1778 OD2 ASP A 115 5.081 -11.308 -7.497 1.00 43.22 O ATOM 0 H ASP A 115 3.199 -10.438 -3.114 1.00 32.32 H new ATOM 0 HA ASP A 115 5.672 -11.851 -3.952 1.00 10.50 H new ATOM 0 HB2 ASP A 115 3.472 -12.512 -5.037 1.00 72.14 H new ATOM 0 HB3 ASP A 115 3.376 -10.890 -5.692 1.00 72.14 H new ATOM 1783 N ILE A 116 6.783 -9.635 -4.052 1.00 33.35 N ATOM 1784 CA ILE A 116 7.515 -8.377 -4.166 1.00 51.33 C ATOM 1785 C ILE A 116 7.697 -8.001 -5.639 1.00 73.10 C ATOM 1786 O ILE A 116 7.650 -6.824 -5.996 1.00 70.23 O ATOM 1787 CB ILE A 116 8.893 -8.474 -3.432 1.00 60.20 C ATOM 1788 CG1 ILE A 116 9.340 -7.106 -2.870 1.00 14.20 C ATOM 1789 CG2 ILE A 116 9.977 -9.056 -4.342 1.00 41.20 C ATOM 1790 CD1 ILE A 116 9.762 -6.091 -3.910 1.00 71.14 C ATOM 0 H ILE A 116 7.310 -10.380 -3.596 1.00 33.35 H new ATOM 0 HA ILE A 116 6.936 -7.589 -3.684 1.00 51.33 H new ATOM 0 HB ILE A 116 8.753 -9.154 -2.592 1.00 60.20 H new ATOM 0 HG12 ILE A 116 8.521 -6.686 -2.286 1.00 14.20 H new ATOM 0 HG13 ILE A 116 10.171 -7.267 -2.184 1.00 14.20 H new ATOM 0 HG21 ILE A 116 10.920 -9.108 -3.798 1.00 41.20 H new ATOM 0 HG22 ILE A 116 9.686 -10.057 -4.660 1.00 41.20 H new ATOM 0 HG23 ILE A 116 10.098 -8.418 -5.217 1.00 41.20 H new ATOM 0 HD11 ILE A 116 10.057 -5.165 -3.416 1.00 71.14 H new ATOM 0 HD12 ILE A 116 10.604 -6.483 -4.480 1.00 71.14 H new ATOM 0 HD13 ILE A 116 8.929 -5.893 -4.584 1.00 71.14 H new ATOM 1802 N SER A 117 7.866 -9.011 -6.488 1.00 31.32 N ATOM 1803 CA SER A 117 8.046 -8.791 -7.917 1.00 5.12 C ATOM 1804 C SER A 117 6.805 -8.139 -8.534 1.00 62.20 C ATOM 1805 O SER A 117 6.917 -7.193 -9.313 1.00 41.52 O ATOM 1806 CB SER A 117 8.396 -10.115 -8.613 1.00 42.32 C ATOM 1807 OG SER A 117 7.789 -11.218 -7.957 1.00 1.24 O ATOM 0 H SER A 117 7.882 -9.992 -6.209 1.00 31.32 H new ATOM 0 HA SER A 117 8.876 -8.100 -8.064 1.00 5.12 H new ATOM 0 HB2 SER A 117 8.067 -10.081 -9.652 1.00 42.32 H new ATOM 0 HB3 SER A 117 9.478 -10.247 -8.626 1.00 42.32 H new ATOM 0 HG SER A 117 6.820 -11.080 -7.914 1.00 1.24 H new ATOM 1813 N LYS A 118 5.621 -8.618 -8.156 1.00 75.41 N ATOM 1814 CA LYS A 118 4.376 -8.051 -8.664 1.00 21.54 C ATOM 1815 C LYS A 118 4.196 -6.635 -8.122 1.00 23.24 C ATOM 1816 O LYS A 118 3.836 -5.715 -8.867 1.00 14.22 O ATOM 1817 CB LYS A 118 3.174 -8.927 -8.276 1.00 54.45 C ATOM 1818 CG LYS A 118 1.871 -8.537 -8.971 1.00 62.40 C ATOM 1819 CD LYS A 118 1.965 -8.707 -10.488 1.00 53.21 C ATOM 1820 CE LYS A 118 0.634 -8.415 -11.177 1.00 20.15 C ATOM 1821 NZ LYS A 118 0.179 -7.017 -10.961 1.00 20.53 N ATOM 0 H LYS A 118 5.499 -9.393 -7.504 1.00 75.41 H new ATOM 0 HA LYS A 118 4.429 -8.016 -9.752 1.00 21.54 H new ATOM 0 HB2 LYS A 118 3.403 -9.966 -8.513 1.00 54.45 H new ATOM 0 HB3 LYS A 118 3.029 -8.870 -7.197 1.00 54.45 H new ATOM 0 HG2 LYS A 118 1.056 -9.150 -8.586 1.00 62.40 H new ATOM 0 HG3 LYS A 118 1.629 -7.501 -8.735 1.00 62.40 H new ATOM 0 HD2 LYS A 118 2.732 -8.039 -10.881 1.00 53.21 H new ATOM 0 HD3 LYS A 118 2.279 -9.725 -10.721 1.00 53.21 H new ATOM 0 HE2 LYS A 118 0.733 -8.601 -12.246 1.00 20.15 H new ATOM 0 HE3 LYS A 118 -0.124 -9.103 -10.803 1.00 20.15 H new ATOM 0 HZ1 LYS A 118 -0.728 -6.868 -11.448 1.00 20.53 H new ATOM 0 HZ2 LYS A 118 0.058 -6.845 -9.943 1.00 20.53 H new ATOM 0 HZ3 LYS A 118 0.888 -6.358 -11.341 1.00 20.53 H new ATOM 1835 N ILE A 119 4.468 -6.465 -6.825 1.00 22.42 N ATOM 1836 CA ILE A 119 4.355 -5.147 -6.191 1.00 55.12 C ATOM 1837 C ILE A 119 5.221 -4.114 -6.922 1.00 1.13 C ATOM 1838 O ILE A 119 4.721 -3.090 -7.414 1.00 14.22 O ATOM 1839 CB ILE A 119 4.784 -5.193 -4.698 1.00 74.14 C ATOM 1840 CG1 ILE A 119 3.935 -6.212 -3.919 1.00 53.02 C ATOM 1841 CG2 ILE A 119 4.675 -3.804 -4.061 1.00 72.52 C ATOM 1842 CD1 ILE A 119 4.359 -6.389 -2.475 1.00 63.11 C ATOM 0 H ILE A 119 4.765 -7.214 -6.199 1.00 22.42 H new ATOM 0 HA ILE A 119 3.306 -4.856 -6.250 1.00 55.12 H new ATOM 0 HB ILE A 119 5.826 -5.510 -4.653 1.00 74.14 H new ATOM 0 HG12 ILE A 119 2.892 -5.896 -3.945 1.00 53.02 H new ATOM 0 HG13 ILE A 119 3.989 -7.176 -4.424 1.00 53.02 H new ATOM 0 HG21 ILE A 119 4.980 -3.858 -3.016 1.00 72.52 H new ATOM 0 HG22 ILE A 119 5.324 -3.108 -4.593 1.00 72.52 H new ATOM 0 HG23 ILE A 119 3.644 -3.456 -4.121 1.00 72.52 H new ATOM 0 HD11 ILE A 119 3.713 -7.123 -1.993 1.00 63.11 H new ATOM 0 HD12 ILE A 119 5.392 -6.736 -2.439 1.00 63.11 H new ATOM 0 HD13 ILE A 119 4.278 -5.436 -1.953 1.00 63.11 H new ATOM 1854 N ILE A 120 6.515 -4.411 -7.027 1.00 23.52 N ATOM 1855 CA ILE A 120 7.469 -3.488 -7.631 1.00 21.21 C ATOM 1856 C ILE A 120 7.165 -3.297 -9.118 1.00 5.15 C ATOM 1857 O ILE A 120 7.359 -2.207 -9.666 1.00 44.51 O ATOM 1858 CB ILE A 120 8.938 -3.959 -7.437 1.00 45.44 C ATOM 1859 CG1 ILE A 120 9.917 -2.852 -7.859 1.00 3.41 C ATOM 1860 CG2 ILE A 120 9.210 -5.247 -8.212 1.00 43.20 C ATOM 1861 CD1 ILE A 120 11.374 -3.184 -7.612 1.00 40.33 C ATOM 0 H ILE A 120 6.926 -5.286 -6.700 1.00 23.52 H new ATOM 0 HA ILE A 120 7.361 -2.531 -7.120 1.00 21.21 H new ATOM 0 HB ILE A 120 9.090 -4.169 -6.378 1.00 45.44 H new ATOM 0 HG12 ILE A 120 9.778 -2.645 -8.920 1.00 3.41 H new ATOM 0 HG13 ILE A 120 9.668 -1.938 -7.320 1.00 3.41 H new ATOM 0 HG21 ILE A 120 10.245 -5.553 -8.058 1.00 43.20 H new ATOM 0 HG22 ILE A 120 8.543 -6.033 -7.858 1.00 43.20 H new ATOM 0 HG23 ILE A 120 9.037 -5.076 -9.274 1.00 43.20 H new ATOM 0 HD11 ILE A 120 11.997 -2.351 -7.937 1.00 40.33 H new ATOM 0 HD12 ILE A 120 11.532 -3.361 -6.548 1.00 40.33 H new ATOM 0 HD13 ILE A 120 11.643 -4.079 -8.173 1.00 40.33 H new ATOM 1873 N SER A 121 6.681 -4.360 -9.762 1.00 61.23 N ATOM 1874 CA SER A 121 6.282 -4.292 -11.161 1.00 1.04 C ATOM 1875 C SER A 121 5.218 -3.212 -11.352 1.00 4.22 C ATOM 1876 O SER A 121 5.372 -2.326 -12.201 1.00 40.10 O ATOM 1877 CB SER A 121 5.753 -5.652 -11.642 1.00 11.44 C ATOM 1878 OG SER A 121 5.404 -5.616 -13.018 1.00 14.42 O ATOM 0 H SER A 121 6.557 -5.277 -9.333 1.00 61.23 H new ATOM 0 HA SER A 121 7.157 -4.035 -11.758 1.00 1.04 H new ATOM 0 HB2 SER A 121 6.511 -6.418 -11.478 1.00 11.44 H new ATOM 0 HB3 SER A 121 4.881 -5.934 -11.051 1.00 11.44 H new ATOM 0 HG SER A 121 5.073 -6.496 -13.295 1.00 14.42 H new ATOM 1884 N GLU A 122 4.154 -3.271 -10.545 1.00 31.25 N ATOM 1885 CA GLU A 122 3.084 -2.280 -10.624 1.00 71.45 C ATOM 1886 C GLU A 122 3.631 -0.882 -10.335 1.00 63.22 C ATOM 1887 O GLU A 122 3.325 0.074 -11.055 1.00 34.44 O ATOM 1888 CB GLU A 122 1.952 -2.605 -9.640 1.00 4.41 C ATOM 1889 CG GLU A 122 1.229 -3.917 -9.918 1.00 73.41 C ATOM 1890 CD GLU A 122 0.661 -3.998 -11.328 1.00 50.13 C ATOM 1891 OE1 GLU A 122 -0.338 -3.305 -11.624 1.00 14.14 O ATOM 1892 OE2 GLU A 122 1.204 -4.772 -12.145 1.00 22.13 O ATOM 0 H GLU A 122 4.014 -3.990 -9.835 1.00 31.25 H new ATOM 0 HA GLU A 122 2.680 -2.308 -11.636 1.00 71.45 H new ATOM 0 HB2 GLU A 122 2.363 -2.638 -8.631 1.00 4.41 H new ATOM 0 HB3 GLU A 122 1.225 -1.793 -9.661 1.00 4.41 H new ATOM 0 HG2 GLU A 122 1.920 -4.746 -9.763 1.00 73.41 H new ATOM 0 HG3 GLU A 122 0.419 -4.038 -9.199 1.00 73.41 H new ATOM 1899 N ILE A 123 4.451 -0.777 -9.286 1.00 41.41 N ATOM 1900 CA ILE A 123 5.042 0.506 -8.897 1.00 53.10 C ATOM 1901 C ILE A 123 5.744 1.175 -10.084 1.00 71.30 C ATOM 1902 O ILE A 123 5.401 2.299 -10.473 1.00 33.35 O ATOM 1903 CB ILE A 123 6.054 0.326 -7.731 1.00 4.55 C ATOM 1904 CG1 ILE A 123 5.331 -0.141 -6.455 1.00 34.24 C ATOM 1905 CG2 ILE A 123 6.829 1.618 -7.471 1.00 10.13 C ATOM 1906 CD1 ILE A 123 6.259 -0.392 -5.280 1.00 11.12 C ATOM 0 H ILE A 123 4.720 -1.562 -8.693 1.00 41.41 H new ATOM 0 HA ILE A 123 4.227 1.147 -8.562 1.00 53.10 H new ATOM 0 HB ILE A 123 6.771 -0.442 -8.022 1.00 4.55 H new ATOM 0 HG12 ILE A 123 4.595 0.611 -6.170 1.00 34.24 H new ATOM 0 HG13 ILE A 123 4.782 -1.057 -6.674 1.00 34.24 H new ATOM 0 HG21 ILE A 123 7.530 1.463 -6.650 1.00 10.13 H new ATOM 0 HG22 ILE A 123 7.379 1.900 -8.369 1.00 10.13 H new ATOM 0 HG23 ILE A 123 6.132 2.414 -7.208 1.00 10.13 H new ATOM 0 HD11 ILE A 123 5.676 -0.718 -4.419 1.00 11.12 H new ATOM 0 HD12 ILE A 123 6.979 -1.166 -5.544 1.00 11.12 H new ATOM 0 HD13 ILE A 123 6.789 0.528 -5.032 1.00 11.12 H new ATOM 1918 N ASN A 124 6.687 0.465 -10.696 1.00 23.35 N ATOM 1919 CA ASN A 124 7.452 1.024 -11.809 1.00 70.02 C ATOM 1920 C ASN A 124 6.561 1.219 -13.028 1.00 74.24 C ATOM 1921 O ASN A 124 6.743 2.161 -13.791 1.00 54.33 O ATOM 1922 CB ASN A 124 8.660 0.144 -12.169 1.00 14.31 C ATOM 1923 CG ASN A 124 9.773 0.224 -11.135 1.00 15.40 C ATOM 1924 OD1 ASN A 124 10.639 1.102 -11.200 1.00 12.34 O ATOM 1925 ND2 ASN A 124 9.768 -0.693 -10.180 1.00 31.15 N ATOM 0 H ASN A 124 6.939 -0.491 -10.444 1.00 23.35 H new ATOM 0 HA ASN A 124 7.831 1.994 -11.488 1.00 70.02 H new ATOM 0 HB2 ASN A 124 8.334 -0.891 -12.266 1.00 14.31 H new ATOM 0 HB3 ASN A 124 9.049 0.448 -13.140 1.00 14.31 H new ATOM 0 HD21 ASN A 124 10.496 -0.689 -9.466 1.00 31.15 H new ATOM 0 HD22 ASN A 124 9.036 -1.403 -10.159 1.00 31.15 H new ATOM 1932 N ASN A 125 5.579 0.340 -13.197 1.00 44.52 N ATOM 1933 CA ASN A 125 4.646 0.454 -14.315 1.00 70.41 C ATOM 1934 C ASN A 125 3.871 1.766 -14.224 1.00 72.13 C ATOM 1935 O ASN A 125 3.588 2.411 -15.236 1.00 71.10 O ATOM 1936 CB ASN A 125 3.669 -0.729 -14.339 1.00 4.33 C ATOM 1937 CG ASN A 125 2.750 -0.709 -15.552 1.00 61.51 C ATOM 1938 OD1 ASN A 125 3.120 -0.225 -16.624 1.00 41.40 O ATOM 1939 ND2 ASN A 125 1.543 -1.233 -15.395 1.00 41.40 N ATOM 0 H ASN A 125 5.408 -0.454 -12.580 1.00 44.52 H new ATOM 0 HA ASN A 125 5.223 0.442 -15.239 1.00 70.41 H new ATOM 0 HB2 ASN A 125 4.234 -1.661 -14.332 1.00 4.33 H new ATOM 0 HB3 ASN A 125 3.066 -0.715 -13.431 1.00 4.33 H new ATOM 0 HD21 ASN A 125 0.887 -1.245 -16.176 1.00 41.40 H new ATOM 0 HD22 ASN A 125 1.270 -1.625 -14.494 1.00 41.40 H new ATOM 1946 N ASN A 126 3.549 2.166 -12.999 1.00 20.00 N ATOM 1947 CA ASN A 126 2.782 3.390 -12.767 1.00 51.45 C ATOM 1948 C ASN A 126 3.677 4.630 -12.713 1.00 24.51 C ATOM 1949 O ASN A 126 3.228 5.730 -13.037 1.00 4.15 O ATOM 1950 CB ASN A 126 1.954 3.274 -11.477 1.00 72.24 C ATOM 1951 CG ASN A 126 0.677 2.467 -11.666 1.00 41.20 C ATOM 1952 OD1 ASN A 126 -0.381 3.020 -11.966 1.00 24.01 O ATOM 1953 ND2 ASN A 126 0.764 1.155 -11.499 1.00 24.14 N ATOM 0 H ASN A 126 3.806 1.663 -12.150 1.00 20.00 H new ATOM 0 HA ASN A 126 2.107 3.510 -13.614 1.00 51.45 H new ATOM 0 HB2 ASN A 126 2.562 2.808 -10.701 1.00 72.24 H new ATOM 0 HB3 ASN A 126 1.698 4.273 -11.124 1.00 72.24 H new ATOM 0 HD21 ASN A 126 -0.063 0.570 -11.619 1.00 24.14 H new ATOM 0 HD22 ASN A 126 1.658 0.731 -11.250 1.00 24.14 H new ATOM 1960 N ILE A 127 4.929 4.463 -12.292 1.00 72.14 N ATOM 1961 CA ILE A 127 5.852 5.600 -12.171 1.00 72.41 C ATOM 1962 C ILE A 127 6.867 5.645 -13.313 1.00 33.52 C ATOM 1963 O ILE A 127 6.926 6.613 -14.077 1.00 41.43 O ATOM 1964 CB ILE A 127 6.643 5.542 -10.846 1.00 5.14 C ATOM 1965 CG1 ILE A 127 5.695 5.396 -9.654 1.00 42.41 C ATOM 1966 CG2 ILE A 127 7.518 6.789 -10.685 1.00 23.22 C ATOM 1967 CD1 ILE A 127 6.413 5.073 -8.368 1.00 55.31 C ATOM 0 H ILE A 127 5.329 3.562 -12.030 1.00 72.14 H new ATOM 0 HA ILE A 127 5.227 6.492 -12.204 1.00 72.41 H new ATOM 0 HB ILE A 127 7.292 4.667 -10.876 1.00 5.14 H new ATOM 0 HG12 ILE A 127 5.133 6.322 -9.528 1.00 42.41 H new ATOM 0 HG13 ILE A 127 4.971 4.610 -9.867 1.00 42.41 H new ATOM 0 HG21 ILE A 127 8.067 6.729 -9.745 1.00 23.22 H new ATOM 0 HG22 ILE A 127 8.223 6.848 -11.514 1.00 23.22 H new ATOM 0 HG23 ILE A 127 6.887 7.678 -10.681 1.00 23.22 H new ATOM 0 HD11 ILE A 127 5.688 4.982 -7.559 1.00 55.31 H new ATOM 0 HD12 ILE A 127 6.953 4.133 -8.479 1.00 55.31 H new ATOM 0 HD13 ILE A 127 7.118 5.871 -8.135 1.00 55.31 H new ATOM 1979 N ASN A 128 7.661 4.587 -13.410 1.00 65.44 N ATOM 1980 CA ASN A 128 8.858 4.574 -14.245 1.00 23.54 C ATOM 1981 C ASN A 128 8.613 3.797 -15.538 1.00 11.14 C ATOM 1982 O ASN A 128 9.057 2.636 -15.641 1.00 51.35 O ATOM 1983 CB ASN A 128 10.016 3.950 -13.445 1.00 11.21 C ATOM 1984 CG ASN A 128 10.312 4.705 -12.156 1.00 22.31 C ATOM 1985 OD1 ASN A 128 10.316 5.935 -12.123 1.00 22.14 O ATOM 1986 ND2 ASN A 128 10.532 3.972 -11.074 1.00 22.13 N ATOM 1987 OXT ASN A 128 7.973 4.352 -16.456 1.00 0.00 O ATOM 0 H ASN A 128 7.495 3.712 -12.912 1.00 65.44 H new ATOM 0 HA ASN A 128 9.116 5.596 -14.522 1.00 23.54 H new ATOM 0 HB2 ASN A 128 9.772 2.915 -13.207 1.00 11.21 H new ATOM 0 HB3 ASN A 128 10.912 3.932 -14.065 1.00 11.21 H new ATOM 0 HD21 ASN A 128 10.712 4.426 -10.178 1.00 22.13 H new ATOM 0 HD22 ASN A 128 10.521 2.954 -11.137 1.00 22.13 H new TER 1994 ASN A 128