USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 729 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 18 ASN : amide:sc= -1.23 K(o=-7.2,f=-5.7) USER MOD Set 1.2: A 87 GLN : amide:sc= -4.11 K(o=-7.2,f=-12!) USER MOD Set 1.3: A 89 GLN : amide:sc= -1.87 K(o=-7.2,f=-20!) USER MOD Set 2.1: A 80 MET CE :methyl -131:sc= -4.9! (180deg=-4.21!) USER MOD Set 2.2: A 84 GLN : amide:sc= -3.57! K(o=-8.5!,f=-4.5) USER MOD Set 3.1: A 3 SER OG : rot -119:sc= 0.0944 USER MOD Set 3.2: A 6 SER OG : rot 30:sc= 0.43 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc=-0.00592 K(o=-0.0059,f=-0.81) USER MOD Single : A 10 SER OG : rot 55:sc= 0.177 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.519 K(o=-0.52,f=-3.2!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.724 X(o=-0.72,f=-0.85) USER MOD Single : A 26 GLN : amide:sc= -0.732 K(o=-0.73,f=-0.01) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -29:sc= 0.284 USER MOD Single : A 35 ASN : amide:sc= -5.39! K(o=-5.4!,f=-1.4) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00498 USER MOD Single : A 44 MET CE :methyl 170:sc= -0.0311 (180deg=-0.125) USER MOD Single : A 46 LYS NZ :NH3+ -163:sc= -0.939 (180deg=-1.51) USER MOD Single : A 48 SER OG : rot 120:sc= -0.0538 USER MOD Single : A 52 ASN : amide:sc= -0.0489 K(o=-0.049,f=-0.91) USER MOD Single : A 53 THR OG1 : rot 31:sc= 0.0651 USER MOD Single : A 55 GLN : amide:sc= -2.11 K(o=-2.1,f=-2.7!) USER MOD Single : A 57 LYS NZ :NH3+ -118:sc= -0.0901 (180deg=-0.668) USER MOD Single : A 58 TYR OH : rot -38:sc= 0.115 USER MOD Single : A 63 ASN : amide:sc= -1.71! C(o=-1.7!,f=-6.4!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0.27 X(o=0.27,f=0) USER MOD Single : A 74 TYR OH : rot -130:sc= -3.45! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -131:sc= 0.0885 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.814 K(o=-0.81,f=-2.8!) USER MOD Single : A 90 MET CE :methyl -109:sc= -0.492 (180deg=-1.74!) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HD1:sc= 0.027 K(o=0.027,f=-0.71) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 22:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.666 -25.875 -1.761 1.00 0.00 N ATOM 2 CA GLY A 1 -10.523 -25.299 -0.435 1.00 0.00 C ATOM 3 C GLY A 1 -11.738 -24.442 -0.075 1.00 0.00 C ATOM 4 O GLY A 1 -11.994 -23.423 -0.714 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.829 -26.452 -1.981 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.516 -26.474 -1.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.756 -25.113 -2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.404 -26.095 0.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.620 -24.691 -0.395 1.00 0.00 H new ATOM 8 N SER A 2 -12.453 -24.886 0.948 1.00 0.00 N ATOM 9 CA SER A 2 -13.635 -24.172 1.401 1.00 0.00 C ATOM 10 C SER A 2 -14.084 -24.712 2.760 1.00 0.00 C ATOM 11 O SER A 2 -14.907 -25.624 2.829 1.00 0.00 O ATOM 12 CB SER A 2 -14.771 -24.286 0.383 1.00 0.00 C ATOM 13 OG SER A 2 -15.400 -23.031 0.142 1.00 0.00 O ATOM 0 H SER A 2 -12.237 -25.731 1.476 1.00 0.00 H new ATOM 0 HA SER A 2 -13.379 -23.117 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.379 -24.681 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.512 -24.999 0.745 1.00 0.00 H new ATOM 0 HG SER A 2 -16.118 -23.146 -0.515 1.00 0.00 H new ATOM 19 N SER A 3 -13.524 -24.127 3.808 1.00 0.00 N ATOM 20 CA SER A 3 -13.856 -24.538 5.162 1.00 0.00 C ATOM 21 C SER A 3 -13.324 -23.513 6.165 1.00 0.00 C ATOM 22 O SER A 3 -12.379 -22.783 5.871 1.00 0.00 O ATOM 23 CB SER A 3 -13.292 -25.926 5.470 1.00 0.00 C ATOM 24 OG SER A 3 -13.580 -26.336 6.804 1.00 0.00 O ATOM 0 H SER A 3 -12.842 -23.371 3.747 1.00 0.00 H new ATOM 0 HA SER A 3 -14.941 -24.590 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.709 -26.650 4.770 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.213 -25.921 5.318 1.00 0.00 H new ATOM 0 HG SER A 3 -12.741 -26.477 7.291 1.00 0.00 H new ATOM 30 N GLY A 4 -13.954 -23.492 7.331 1.00 0.00 N ATOM 31 CA GLY A 4 -13.555 -22.569 8.380 1.00 0.00 C ATOM 32 C GLY A 4 -12.208 -22.973 8.983 1.00 0.00 C ATOM 33 O GLY A 4 -11.438 -23.701 8.359 1.00 0.00 O ATOM 0 H GLY A 4 -14.737 -24.099 7.572 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.488 -21.559 7.975 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.316 -22.549 9.161 1.00 0.00 H new ATOM 37 N SER A 5 -11.965 -22.482 10.189 1.00 0.00 N ATOM 38 CA SER A 5 -10.725 -22.782 10.883 1.00 0.00 C ATOM 39 C SER A 5 -10.703 -24.253 11.304 1.00 0.00 C ATOM 40 O SER A 5 -11.280 -24.617 12.328 1.00 0.00 O ATOM 41 CB SER A 5 -10.544 -21.878 12.104 1.00 0.00 C ATOM 42 OG SER A 5 -9.303 -22.113 12.764 1.00 0.00 O ATOM 0 H SER A 5 -12.606 -21.878 10.703 1.00 0.00 H new ATOM 0 HA SER A 5 -9.897 -22.594 10.199 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.597 -20.835 11.793 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.364 -22.045 12.803 1.00 0.00 H new ATOM 0 HG SER A 5 -9.225 -21.515 13.537 1.00 0.00 H new ATOM 48 N SER A 6 -10.033 -25.058 10.494 1.00 0.00 N ATOM 49 CA SER A 6 -9.929 -26.480 10.769 1.00 0.00 C ATOM 50 C SER A 6 -8.829 -27.102 9.906 1.00 0.00 C ATOM 51 O SER A 6 -8.930 -27.115 8.680 1.00 0.00 O ATOM 52 CB SER A 6 -11.262 -27.189 10.521 1.00 0.00 C ATOM 53 OG SER A 6 -11.704 -27.038 9.175 1.00 0.00 O ATOM 0 H SER A 6 -9.556 -24.752 9.646 1.00 0.00 H new ATOM 0 HA SER A 6 -9.672 -26.606 11.821 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.157 -28.249 10.751 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.017 -26.789 11.198 1.00 0.00 H new ATOM 0 HG SER A 6 -10.928 -26.949 8.584 1.00 0.00 H new ATOM 59 N GLY A 7 -7.803 -27.601 10.580 1.00 0.00 N ATOM 60 CA GLY A 7 -6.685 -28.222 9.889 1.00 0.00 C ATOM 61 C GLY A 7 -5.479 -27.283 9.844 1.00 0.00 C ATOM 62 O GLY A 7 -5.143 -26.649 10.843 1.00 0.00 O ATOM 0 H GLY A 7 -7.722 -27.588 11.597 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.410 -29.148 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.982 -28.487 8.874 1.00 0.00 H new ATOM 66 N PRO A 8 -4.843 -27.222 8.643 1.00 0.00 N ATOM 67 CA PRO A 8 -3.681 -26.371 8.454 1.00 0.00 C ATOM 68 C PRO A 8 -4.089 -24.900 8.351 1.00 0.00 C ATOM 69 O PRO A 8 -4.760 -24.502 7.400 1.00 0.00 O ATOM 70 CB PRO A 8 -3.014 -26.891 7.191 1.00 0.00 C ATOM 71 CG PRO A 8 -4.072 -27.706 6.466 1.00 0.00 C ATOM 72 CD PRO A 8 -5.213 -27.958 7.438 1.00 0.00 C ATOM 0 HA PRO A 8 -2.992 -26.408 9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.661 -26.069 6.569 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.146 -27.504 7.432 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.431 -27.170 5.587 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.653 -28.650 6.116 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.162 -27.605 7.034 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.330 -29.022 7.644 1.00 0.00 H new ATOM 80 N HIS A 9 -3.668 -24.131 9.345 1.00 0.00 N ATOM 81 CA HIS A 9 -3.982 -22.713 9.379 1.00 0.00 C ATOM 82 C HIS A 9 -3.708 -22.094 8.007 1.00 0.00 C ATOM 83 O HIS A 9 -3.126 -22.738 7.136 1.00 0.00 O ATOM 84 CB HIS A 9 -3.219 -22.015 10.507 1.00 0.00 C ATOM 85 CG HIS A 9 -1.769 -22.422 10.612 1.00 0.00 C ATOM 86 ND1 HIS A 9 -1.342 -23.482 11.392 1.00 0.00 N ATOM 87 CD2 HIS A 9 -0.653 -21.901 10.026 1.00 0.00 C ATOM 88 CE1 HIS A 9 -0.026 -23.585 11.275 1.00 0.00 C ATOM 89 NE2 HIS A 9 0.399 -22.604 10.428 1.00 0.00 N ATOM 0 H HIS A 9 -3.112 -24.464 10.133 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.041 -22.576 9.596 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -3.273 -20.937 10.355 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.715 -22.229 11.454 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -0.629 -21.059 9.350 1.00 0.00 H new ATOM 0 HE1 HIS A 9 0.600 -24.317 11.764 1.00 0.00 H new ATOM 0 HE2 HIS A 9 1.366 -22.438 10.149 1.00 0.00 H new ATOM 97 N SER A 10 -4.141 -20.850 7.858 1.00 0.00 N ATOM 98 CA SER A 10 -3.950 -20.137 6.606 1.00 0.00 C ATOM 99 C SER A 10 -4.346 -18.669 6.775 1.00 0.00 C ATOM 100 O SER A 10 -3.534 -17.773 6.548 1.00 0.00 O ATOM 101 CB SER A 10 -4.759 -20.779 5.477 1.00 0.00 C ATOM 102 OG SER A 10 -3.930 -21.498 4.569 1.00 0.00 O ATOM 0 H SER A 10 -4.623 -20.318 8.583 1.00 0.00 H new ATOM 0 HA SER A 10 -2.895 -20.194 6.337 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.502 -21.454 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.304 -20.005 4.936 1.00 0.00 H new ATOM 0 HG SER A 10 -3.395 -22.153 5.063 1.00 0.00 H new ATOM 108 N MET A 11 -5.594 -18.468 7.173 1.00 0.00 N ATOM 109 CA MET A 11 -6.108 -17.124 7.375 1.00 0.00 C ATOM 110 C MET A 11 -5.136 -16.284 8.206 1.00 0.00 C ATOM 111 O MET A 11 -4.402 -16.819 9.037 1.00 0.00 O ATOM 112 CB MET A 11 -7.460 -17.195 8.087 1.00 0.00 C ATOM 113 CG MET A 11 -8.598 -17.395 7.085 1.00 0.00 C ATOM 114 SD MET A 11 -10.029 -18.068 7.912 1.00 0.00 S ATOM 115 CE MET A 11 -10.839 -16.556 8.409 1.00 0.00 C ATOM 0 H MET A 11 -6.264 -19.214 7.361 1.00 0.00 H new ATOM 0 HA MET A 11 -6.226 -16.651 6.400 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.454 -18.015 8.805 1.00 0.00 H new ATOM 0 HB3 MET A 11 -7.626 -16.278 8.652 1.00 0.00 H new ATOM 0 HG2 MET A 11 -8.852 -16.444 6.617 1.00 0.00 H new ATOM 0 HG3 MET A 11 -8.278 -18.067 6.289 1.00 0.00 H new ATOM 0 HE1 MET A 11 -11.759 -16.795 8.943 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.177 -15.986 9.062 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.076 -15.963 7.526 1.00 0.00 H new ATOM 125 N GLU A 12 -5.162 -14.984 7.955 1.00 0.00 N ATOM 126 CA GLU A 12 -4.292 -14.066 8.670 1.00 0.00 C ATOM 127 C GLU A 12 -4.351 -12.675 8.035 1.00 0.00 C ATOM 128 O GLU A 12 -4.262 -12.541 6.815 1.00 0.00 O ATOM 129 CB GLU A 12 -2.855 -14.590 8.710 1.00 0.00 C ATOM 130 CG GLU A 12 -1.860 -13.446 8.916 1.00 0.00 C ATOM 131 CD GLU A 12 -0.668 -13.902 9.760 1.00 0.00 C ATOM 132 OE1 GLU A 12 -0.867 -14.058 10.984 1.00 0.00 O ATOM 133 OE2 GLU A 12 0.414 -14.084 9.163 1.00 0.00 O ATOM 0 H GLU A 12 -5.772 -14.544 7.266 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.644 -13.990 9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.751 -15.317 9.516 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.628 -15.111 7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.509 -13.086 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.358 -12.609 9.406 1.00 0.00 H new ATOM 140 N PRO A 13 -4.505 -11.648 8.913 1.00 0.00 N ATOM 141 CA PRO A 13 -4.577 -10.272 8.450 1.00 0.00 C ATOM 142 C PRO A 13 -3.195 -9.759 8.039 1.00 0.00 C ATOM 143 O PRO A 13 -3.054 -9.106 7.006 1.00 0.00 O ATOM 144 CB PRO A 13 -5.176 -9.497 9.612 1.00 0.00 C ATOM 145 CG PRO A 13 -4.987 -10.374 10.840 1.00 0.00 C ATOM 146 CD PRO A 13 -4.614 -11.768 10.364 1.00 0.00 C ATOM 0 HA PRO A 13 -5.190 -10.161 7.556 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.678 -8.536 9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.232 -9.289 9.440 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.205 -9.968 11.482 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.902 -10.405 11.432 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.674 -12.099 10.806 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.373 -12.498 10.645 1.00 0.00 H new ATOM 154 N GLN A 14 -2.211 -10.075 8.868 1.00 0.00 N ATOM 155 CA GLN A 14 -0.846 -9.654 8.603 1.00 0.00 C ATOM 156 C GLN A 14 -0.552 -9.719 7.103 1.00 0.00 C ATOM 157 O GLN A 14 -0.288 -10.793 6.565 1.00 0.00 O ATOM 158 CB GLN A 14 0.152 -10.501 9.395 1.00 0.00 C ATOM 159 CG GLN A 14 0.060 -10.201 10.892 1.00 0.00 C ATOM 160 CD GLN A 14 1.037 -11.070 11.687 1.00 0.00 C ATOM 161 OE1 GLN A 14 1.326 -12.202 11.337 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.527 -10.479 12.773 1.00 0.00 N ATOM 0 H GLN A 14 -2.332 -10.617 9.723 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.735 -8.620 8.930 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.044 -11.559 9.220 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.164 -10.302 9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.277 -9.148 11.069 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.957 -10.380 11.240 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.243 -9.528 13.008 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.187 -10.977 13.370 1.00 0.00 H new ATOM 171 N VAL A 15 -0.607 -8.556 6.470 1.00 0.00 N ATOM 172 CA VAL A 15 -0.350 -8.468 5.043 1.00 0.00 C ATOM 173 C VAL A 15 1.053 -7.901 4.816 1.00 0.00 C ATOM 174 O VAL A 15 1.522 -7.066 5.589 1.00 0.00 O ATOM 175 CB VAL A 15 -1.445 -7.642 4.364 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.954 -7.069 3.034 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.715 -8.472 4.169 1.00 0.00 C ATOM 0 H VAL A 15 -0.826 -7.667 6.920 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.379 -9.458 4.588 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.689 -6.805 5.019 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.751 -6.486 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.091 -6.427 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.669 -7.885 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.478 -7.862 3.685 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.492 -9.337 3.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.082 -8.809 5.139 1.00 0.00 H new ATOM 187 N THR A 16 1.685 -8.378 3.754 1.00 0.00 N ATOM 188 CA THR A 16 3.025 -7.930 3.415 1.00 0.00 C ATOM 189 C THR A 16 2.970 -6.864 2.319 1.00 0.00 C ATOM 190 O THR A 16 2.700 -7.175 1.159 1.00 0.00 O ATOM 191 CB THR A 16 3.851 -9.158 3.028 1.00 0.00 C ATOM 192 OG1 THR A 16 3.728 -10.027 4.151 1.00 0.00 O ATOM 193 CG2 THR A 16 5.349 -8.856 2.953 1.00 0.00 C ATOM 0 H THR A 16 1.293 -9.071 3.116 1.00 0.00 H new ATOM 0 HA THR A 16 3.509 -7.451 4.266 1.00 0.00 H new ATOM 0 HB THR A 16 3.508 -9.537 2.065 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.233 -10.850 3.984 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.889 -9.761 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.527 -8.083 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.699 -8.509 3.925 1.00 0.00 H new ATOM 201 N LEU A 17 3.230 -5.630 2.723 1.00 0.00 N ATOM 202 CA LEU A 17 3.213 -4.517 1.789 1.00 0.00 C ATOM 203 C LEU A 17 4.621 -4.305 1.231 1.00 0.00 C ATOM 204 O LEU A 17 5.467 -3.697 1.885 1.00 0.00 O ATOM 205 CB LEU A 17 2.620 -3.271 2.451 1.00 0.00 C ATOM 206 CG LEU A 17 1.137 -3.350 2.819 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.662 -2.046 3.464 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.289 -3.728 1.603 1.00 0.00 C ATOM 0 H LEU A 17 3.454 -5.376 3.685 1.00 0.00 H new ATOM 0 HA LEU A 17 2.564 -4.740 0.942 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.188 -3.060 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.763 -2.424 1.780 1.00 0.00 H new ATOM 0 HG LEU A 17 1.011 -4.141 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.395 -2.129 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.237 -1.858 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.805 -1.221 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.761 -3.777 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.416 -2.977 0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.607 -4.700 1.225 1.00 0.00 H new ATOM 220 N ASN A 18 4.829 -4.818 0.027 1.00 0.00 N ATOM 221 CA ASN A 18 6.121 -4.692 -0.627 1.00 0.00 C ATOM 222 C ASN A 18 6.174 -3.367 -1.390 1.00 0.00 C ATOM 223 O ASN A 18 5.594 -3.242 -2.467 1.00 0.00 O ATOM 224 CB ASN A 18 6.342 -5.825 -1.632 1.00 0.00 C ATOM 225 CG ASN A 18 6.043 -7.185 -0.999 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.736 -7.651 -0.110 1.00 0.00 O ATOM 227 ND2 ASN A 18 4.975 -7.794 -1.505 1.00 0.00 N ATOM 0 H ASN A 18 4.125 -5.322 -0.513 1.00 0.00 H new ATOM 0 HA ASN A 18 6.894 -4.735 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.701 -5.675 -2.501 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.372 -5.804 -1.988 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.692 -8.707 -1.149 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.438 -7.348 -2.249 1.00 0.00 H new ATOM 234 N VAL A 19 6.876 -2.410 -0.800 1.00 0.00 N ATOM 235 CA VAL A 19 7.013 -1.098 -1.411 1.00 0.00 C ATOM 236 C VAL A 19 8.333 -1.035 -2.182 1.00 0.00 C ATOM 237 O VAL A 19 9.395 -1.308 -1.626 1.00 0.00 O ATOM 238 CB VAL A 19 6.892 -0.009 -0.343 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.070 1.382 -0.956 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.559 -0.115 0.400 1.00 0.00 C ATOM 0 H VAL A 19 7.356 -2.517 0.094 1.00 0.00 H new ATOM 0 HA VAL A 19 6.210 -0.924 -2.127 1.00 0.00 H new ATOM 0 HB VAL A 19 7.692 -0.160 0.382 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.979 2.138 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.055 1.453 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.302 1.547 -1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.499 0.671 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.738 -0.002 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.489 -1.089 0.885 1.00 0.00 H new ATOM 250 N THR A 20 8.222 -0.673 -3.452 1.00 0.00 N ATOM 251 CA THR A 20 9.393 -0.570 -4.306 1.00 0.00 C ATOM 252 C THR A 20 9.559 0.864 -4.813 1.00 0.00 C ATOM 253 O THR A 20 8.923 1.259 -5.789 1.00 0.00 O ATOM 254 CB THR A 20 9.250 -1.599 -5.429 1.00 0.00 C ATOM 255 OG1 THR A 20 9.630 -2.831 -4.822 1.00 0.00 O ATOM 256 CG2 THR A 20 10.282 -1.399 -6.541 1.00 0.00 C ATOM 0 H THR A 20 7.339 -0.447 -3.910 1.00 0.00 H new ATOM 0 HA THR A 20 10.306 -0.794 -3.754 1.00 0.00 H new ATOM 0 HB THR A 20 8.246 -1.540 -5.849 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.565 -3.554 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.137 -2.155 -7.313 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.160 -0.407 -6.977 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.286 -1.492 -6.127 1.00 0.00 H new ATOM 264 N PHE A 21 10.418 1.604 -4.127 1.00 0.00 N ATOM 265 CA PHE A 21 10.676 2.985 -4.496 1.00 0.00 C ATOM 266 C PHE A 21 11.924 3.095 -5.374 1.00 0.00 C ATOM 267 O PHE A 21 13.047 3.017 -4.876 1.00 0.00 O ATOM 268 CB PHE A 21 10.912 3.758 -3.197 1.00 0.00 C ATOM 269 CG PHE A 21 11.208 5.245 -3.402 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.587 5.931 -4.399 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.092 5.882 -2.588 1.00 0.00 C ATOM 272 CE1 PHE A 21 10.861 7.311 -4.590 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.367 7.262 -2.779 1.00 0.00 C ATOM 274 CZ PHE A 21 11.746 7.947 -3.775 1.00 0.00 C ATOM 0 H PHE A 21 10.944 1.273 -3.318 1.00 0.00 H new ATOM 0 HA PHE A 21 9.832 3.383 -5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.032 3.658 -2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.745 3.303 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 21 9.885 5.426 -5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.585 5.338 -1.796 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.367 7.856 -5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.070 7.767 -2.133 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.955 8.997 -3.920 1.00 0.00 H new ATOM 284 N LYS A 22 11.687 3.273 -6.665 1.00 0.00 N ATOM 285 CA LYS A 22 12.778 3.393 -7.617 1.00 0.00 C ATOM 286 C LYS A 22 13.526 2.062 -7.700 1.00 0.00 C ATOM 287 O LYS A 22 13.140 1.174 -8.459 1.00 0.00 O ATOM 288 CB LYS A 22 13.674 4.581 -7.258 1.00 0.00 C ATOM 289 CG LYS A 22 12.899 5.898 -7.345 1.00 0.00 C ATOM 290 CD LYS A 22 13.793 7.084 -6.979 1.00 0.00 C ATOM 291 CE LYS A 22 14.313 6.957 -5.546 1.00 0.00 C ATOM 292 NZ LYS A 22 15.087 8.160 -5.166 1.00 0.00 N ATOM 0 H LYS A 22 10.755 3.337 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 22 12.392 3.604 -8.614 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.068 4.453 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.529 4.613 -7.933 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.510 6.029 -8.355 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.041 5.864 -6.674 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.633 7.138 -7.671 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.233 8.013 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.476 6.824 -4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.941 6.071 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 15.432 8.057 -4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.896 8.270 -5.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.477 9.000 -5.230 1.00 0.00 H new ATOM 306 N ASN A 23 14.585 1.964 -6.909 1.00 0.00 N ATOM 307 CA ASN A 23 15.391 0.755 -6.883 1.00 0.00 C ATOM 308 C ASN A 23 15.381 0.171 -5.469 1.00 0.00 C ATOM 309 O ASN A 23 15.942 -0.898 -5.231 1.00 0.00 O ATOM 310 CB ASN A 23 16.843 1.054 -7.261 1.00 0.00 C ATOM 311 CG ASN A 23 17.742 -0.152 -6.980 1.00 0.00 C ATOM 312 OD1 ASN A 23 18.490 -0.190 -6.017 1.00 0.00 O ATOM 313 ND2 ASN A 23 17.626 -1.132 -7.871 1.00 0.00 N ATOM 0 H ASN A 23 14.903 2.702 -6.281 1.00 0.00 H new ATOM 0 HA ASN A 23 14.969 0.052 -7.601 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.901 1.317 -8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.199 1.917 -6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 23 18.183 -1.981 -7.771 1.00 0.00 H new ATOM 0 HD22 ASN A 23 16.980 -1.035 -8.654 1.00 0.00 H new ATOM 320 N GLU A 24 14.736 0.897 -4.568 1.00 0.00 N ATOM 321 CA GLU A 24 14.646 0.464 -3.184 1.00 0.00 C ATOM 322 C GLU A 24 13.411 -0.417 -2.983 1.00 0.00 C ATOM 323 O GLU A 24 12.372 -0.185 -3.600 1.00 0.00 O ATOM 324 CB GLU A 24 14.625 1.663 -2.234 1.00 0.00 C ATOM 325 CG GLU A 24 16.026 2.254 -2.066 1.00 0.00 C ATOM 326 CD GLU A 24 15.978 3.562 -1.274 1.00 0.00 C ATOM 327 OE1 GLU A 24 15.952 3.470 -0.028 1.00 0.00 O ATOM 328 OE2 GLU A 24 15.968 4.624 -1.932 1.00 0.00 O ATOM 0 H GLU A 24 14.271 1.782 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 24 15.532 -0.127 -2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 24 13.949 2.426 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.237 1.355 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.668 1.538 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.469 2.434 -3.046 1.00 0.00 H new ATOM 335 N ILE A 25 13.564 -1.408 -2.117 1.00 0.00 N ATOM 336 CA ILE A 25 12.474 -2.324 -1.827 1.00 0.00 C ATOM 337 C ILE A 25 12.310 -2.451 -0.311 1.00 0.00 C ATOM 338 O ILE A 25 13.296 -2.545 0.418 1.00 0.00 O ATOM 339 CB ILE A 25 12.695 -3.661 -2.536 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.676 -3.486 -4.056 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.680 -4.705 -2.066 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.569 -4.524 -4.739 1.00 0.00 C ATOM 0 H ILE A 25 14.427 -1.597 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 25 11.534 -1.934 -2.218 1.00 0.00 H new ATOM 0 HB ILE A 25 13.685 -4.030 -2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.654 -3.582 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.015 -2.483 -4.314 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.859 -5.646 -2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.786 -4.857 -0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.671 -4.356 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.537 -4.377 -5.819 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.594 -4.410 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.212 -5.526 -4.498 1.00 0.00 H new ATOM 354 N GLN A 26 11.056 -2.449 0.118 1.00 0.00 N ATOM 355 CA GLN A 26 10.751 -2.563 1.534 1.00 0.00 C ATOM 356 C GLN A 26 9.498 -3.417 1.740 1.00 0.00 C ATOM 357 O GLN A 26 8.773 -3.700 0.787 1.00 0.00 O ATOM 358 CB GLN A 26 10.584 -1.182 2.172 1.00 0.00 C ATOM 359 CG GLN A 26 11.828 -0.795 2.974 1.00 0.00 C ATOM 360 CD GLN A 26 11.442 -0.114 4.289 1.00 0.00 C ATOM 361 OE1 GLN A 26 11.464 -0.707 5.355 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.090 1.162 4.154 1.00 0.00 N ATOM 0 H GLN A 26 10.240 -2.370 -0.490 1.00 0.00 H new ATOM 0 HA GLN A 26 11.588 -3.056 2.027 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.401 -0.439 1.396 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.711 -1.182 2.825 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.423 -1.685 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.452 -0.125 2.383 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.094 1.597 3.232 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.817 1.705 4.973 1.00 0.00 H new ATOM 371 N SER A 27 9.281 -3.802 2.989 1.00 0.00 N ATOM 372 CA SER A 27 8.128 -4.617 3.331 1.00 0.00 C ATOM 373 C SER A 27 7.545 -4.163 4.670 1.00 0.00 C ATOM 374 O SER A 27 8.260 -4.082 5.668 1.00 0.00 O ATOM 375 CB SER A 27 8.501 -6.100 3.390 1.00 0.00 C ATOM 376 OG SER A 27 7.770 -6.794 4.398 1.00 0.00 O ATOM 0 H SER A 27 9.884 -3.565 3.776 1.00 0.00 H new ATOM 0 HA SER A 27 7.376 -4.489 2.553 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.310 -6.561 2.421 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.569 -6.198 3.584 1.00 0.00 H new ATOM 0 HG SER A 27 8.035 -7.737 4.403 1.00 0.00 H new ATOM 382 N PHE A 28 6.251 -3.878 4.650 1.00 0.00 N ATOM 383 CA PHE A 28 5.563 -3.434 5.850 1.00 0.00 C ATOM 384 C PHE A 28 4.408 -4.374 6.200 1.00 0.00 C ATOM 385 O PHE A 28 3.420 -4.447 5.470 1.00 0.00 O ATOM 386 CB PHE A 28 5.002 -2.042 5.555 1.00 0.00 C ATOM 387 CG PHE A 28 6.064 -1.011 5.169 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.734 -0.330 6.137 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.339 -0.776 3.858 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.721 0.627 5.779 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.325 0.181 3.500 1.00 0.00 C ATOM 392 CZ PHE A 28 7.995 0.862 4.468 1.00 0.00 C ATOM 0 H PHE A 28 5.661 -3.946 3.821 1.00 0.00 H new ATOM 0 HA PHE A 28 6.254 -3.423 6.693 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.274 -2.119 4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.466 -1.684 6.434 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.516 -0.517 7.178 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.807 -1.317 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.253 1.168 6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.543 0.368 2.459 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.745 1.590 4.195 1.00 0.00 H new ATOM 402 N LEU A 29 4.569 -5.069 7.316 1.00 0.00 N ATOM 403 CA LEU A 29 3.552 -6.001 7.771 1.00 0.00 C ATOM 404 C LEU A 29 2.397 -5.220 8.402 1.00 0.00 C ATOM 405 O LEU A 29 2.621 -4.268 9.148 1.00 0.00 O ATOM 406 CB LEU A 29 4.164 -7.051 8.700 1.00 0.00 C ATOM 407 CG LEU A 29 3.273 -8.247 9.040 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.268 -9.268 7.901 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.685 -8.877 10.372 1.00 0.00 C ATOM 0 H LEU A 29 5.389 -5.005 7.919 1.00 0.00 H new ATOM 0 HA LEU A 29 3.140 -6.556 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.079 -7.424 8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.451 -6.561 9.630 1.00 0.00 H new ATOM 0 HG LEU A 29 2.250 -7.889 9.156 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.627 -10.108 8.168 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.890 -8.798 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.283 -9.626 7.729 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.036 -9.725 10.590 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.718 -9.218 10.309 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.595 -8.137 11.168 1.00 0.00 H new ATOM 421 N VAL A 30 1.187 -5.653 8.081 1.00 0.00 N ATOM 422 CA VAL A 30 -0.003 -5.007 8.607 1.00 0.00 C ATOM 423 C VAL A 30 -0.904 -6.058 9.258 1.00 0.00 C ATOM 424 O VAL A 30 -1.711 -6.694 8.582 1.00 0.00 O ATOM 425 CB VAL A 30 -0.707 -4.222 7.497 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.572 -3.104 8.081 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.305 -3.666 6.494 1.00 0.00 C ATOM 0 H VAL A 30 1.005 -6.444 7.463 1.00 0.00 H new ATOM 0 HA VAL A 30 0.265 -4.285 9.379 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.364 -4.909 6.964 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.061 -2.562 7.272 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.328 -3.534 8.738 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.945 -2.418 8.650 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.221 -3.113 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.998 -3.000 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.860 -4.489 6.043 1.00 0.00 H new ATOM 437 N SER A 31 -0.734 -6.210 10.564 1.00 0.00 N ATOM 438 CA SER A 31 -1.522 -7.173 11.314 1.00 0.00 C ATOM 439 C SER A 31 -2.983 -6.722 11.373 1.00 0.00 C ATOM 440 O SER A 31 -3.854 -7.483 11.791 1.00 0.00 O ATOM 441 CB SER A 31 -0.965 -7.358 12.727 1.00 0.00 C ATOM 442 OG SER A 31 -1.719 -8.306 13.478 1.00 0.00 O ATOM 0 H SER A 31 -0.062 -5.682 11.121 1.00 0.00 H new ATOM 0 HA SER A 31 -1.466 -8.134 10.802 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.073 -7.686 12.668 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.968 -6.400 13.246 1.00 0.00 H new ATOM 0 HG SER A 31 -2.647 -8.309 13.163 1.00 0.00 H new ATOM 448 N ASP A 32 -3.205 -5.487 10.948 1.00 0.00 N ATOM 449 CA ASP A 32 -4.546 -4.926 10.948 1.00 0.00 C ATOM 450 C ASP A 32 -4.707 -4.003 9.739 1.00 0.00 C ATOM 451 O ASP A 32 -4.758 -2.783 9.888 1.00 0.00 O ATOM 452 CB ASP A 32 -4.797 -4.101 12.211 1.00 0.00 C ATOM 453 CG ASP A 32 -4.003 -4.543 13.442 1.00 0.00 C ATOM 454 OD1 ASP A 32 -4.225 -5.693 13.877 1.00 0.00 O ATOM 455 OD2 ASP A 32 -3.193 -3.720 13.920 1.00 0.00 O ATOM 0 H ASP A 32 -2.480 -4.859 10.601 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.258 -5.751 10.909 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.559 -3.059 11.999 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.860 -4.143 12.449 1.00 0.00 H new ATOM 460 N PRO A 33 -4.785 -4.636 8.538 1.00 0.00 N ATOM 461 CA PRO A 33 -4.939 -3.884 7.304 1.00 0.00 C ATOM 462 C PRO A 33 -6.368 -3.357 7.158 1.00 0.00 C ATOM 463 O PRO A 33 -6.635 -2.501 6.316 1.00 0.00 O ATOM 464 CB PRO A 33 -4.548 -4.854 6.201 1.00 0.00 C ATOM 465 CG PRO A 33 -4.637 -6.241 6.815 1.00 0.00 C ATOM 466 CD PRO A 33 -4.728 -6.079 8.323 1.00 0.00 C ATOM 0 HA PRO A 33 -4.312 -2.993 7.273 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.217 -4.762 5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.540 -4.650 5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.510 -6.771 6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.762 -6.834 6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.613 -6.574 8.722 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.865 -6.520 8.821 1.00 0.00 H new ATOM 474 N GLU A 34 -7.249 -3.891 7.991 1.00 0.00 N ATOM 475 CA GLU A 34 -8.644 -3.485 7.965 1.00 0.00 C ATOM 476 C GLU A 34 -8.884 -2.347 8.958 1.00 0.00 C ATOM 477 O GLU A 34 -9.760 -1.509 8.748 1.00 0.00 O ATOM 478 CB GLU A 34 -9.565 -4.671 8.258 1.00 0.00 C ATOM 479 CG GLU A 34 -9.587 -5.652 7.083 1.00 0.00 C ATOM 480 CD GLU A 34 -10.803 -5.407 6.187 1.00 0.00 C ATOM 481 OE1 GLU A 34 -10.792 -4.372 5.486 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.716 -6.260 6.224 1.00 0.00 O ATOM 0 H GLU A 34 -7.024 -4.601 8.688 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.878 -3.123 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.228 -5.184 9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.575 -4.312 8.455 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.673 -5.546 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.608 -6.675 7.459 1.00 0.00 H new ATOM 489 N ASN A 35 -8.091 -2.352 10.019 1.00 0.00 N ATOM 490 CA ASN A 35 -8.206 -1.330 11.045 1.00 0.00 C ATOM 491 C ASN A 35 -7.409 -0.095 10.621 1.00 0.00 C ATOM 492 O ASN A 35 -7.964 0.996 10.500 1.00 0.00 O ATOM 493 CB ASN A 35 -7.641 -1.822 12.379 1.00 0.00 C ATOM 494 CG ASN A 35 -7.375 -0.651 13.327 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.133 -0.375 14.242 1.00 0.00 O ATOM 496 ND2 ASN A 35 -6.258 0.019 13.059 1.00 0.00 N ATOM 0 H ASN A 35 -7.366 -3.048 10.190 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.263 -1.093 11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.343 -2.517 12.841 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.716 -2.372 12.206 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.991 0.817 13.635 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.668 -0.265 12.277 1.00 0.00 H new ATOM 503 N THR A 36 -6.119 -0.308 10.406 1.00 0.00 N ATOM 504 CA THR A 36 -5.239 0.774 9.997 1.00 0.00 C ATOM 505 C THR A 36 -5.861 1.559 8.841 1.00 0.00 C ATOM 506 O THR A 36 -6.767 1.068 8.169 1.00 0.00 O ATOM 507 CB THR A 36 -3.874 0.172 9.658 1.00 0.00 C ATOM 508 OG1 THR A 36 -2.965 1.255 9.827 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.747 -0.194 8.177 1.00 0.00 C ATOM 0 H THR A 36 -5.662 -1.214 10.507 1.00 0.00 H new ATOM 0 HA THR A 36 -5.100 1.496 10.802 1.00 0.00 H new ATOM 0 HB THR A 36 -3.708 -0.717 10.267 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.054 0.952 9.629 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.760 -0.617 7.990 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.511 -0.927 7.916 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.880 0.701 7.568 1.00 0.00 H new ATOM 517 N THR A 37 -5.351 2.766 8.645 1.00 0.00 N ATOM 518 CA THR A 37 -5.845 3.624 7.581 1.00 0.00 C ATOM 519 C THR A 37 -4.785 3.785 6.490 1.00 0.00 C ATOM 520 O THR A 37 -3.588 3.751 6.772 1.00 0.00 O ATOM 521 CB THR A 37 -6.279 4.951 8.207 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.089 5.460 8.803 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.233 4.756 9.388 1.00 0.00 C ATOM 0 H THR A 37 -4.601 3.170 9.205 1.00 0.00 H new ATOM 0 HA THR A 37 -6.710 3.183 7.087 1.00 0.00 H new ATOM 0 HB THR A 37 -6.760 5.570 7.449 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.280 6.321 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.510 5.728 9.796 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.129 4.235 9.050 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.740 4.166 10.160 1.00 0.00 H new ATOM 531 N TRP A 38 -5.262 3.957 5.266 1.00 0.00 N ATOM 532 CA TRP A 38 -4.370 4.124 4.131 1.00 0.00 C ATOM 533 C TRP A 38 -3.379 5.240 4.469 1.00 0.00 C ATOM 534 O TRP A 38 -2.208 5.166 4.101 1.00 0.00 O ATOM 535 CB TRP A 38 -5.160 4.393 2.849 1.00 0.00 C ATOM 536 CG TRP A 38 -4.308 4.921 1.693 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.449 6.072 1.022 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.169 4.265 1.094 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.489 6.207 0.040 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.686 5.073 0.085 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.568 3.031 1.396 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.580 4.735 -0.704 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.464 2.707 0.598 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.965 3.509 -0.421 1.00 0.00 C ATOM 0 H TRP A 38 -6.255 3.984 5.035 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.811 3.208 3.941 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.649 3.471 2.535 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.949 5.114 3.065 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.218 6.803 1.224 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.387 6.994 -0.601 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.929 2.384 2.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.221 5.385 -1.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.965 1.768 0.788 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.106 3.188 -0.992 1.00 0.00 H new ATOM 555 N ALA A 39 -3.886 6.247 5.164 1.00 0.00 N ATOM 556 CA ALA A 39 -3.060 7.377 5.555 1.00 0.00 C ATOM 557 C ALA A 39 -1.921 6.885 6.450 1.00 0.00 C ATOM 558 O ALA A 39 -0.783 7.331 6.313 1.00 0.00 O ATOM 559 CB ALA A 39 -3.929 8.431 6.245 1.00 0.00 C ATOM 0 H ALA A 39 -4.858 6.304 5.467 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.612 7.846 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.309 9.278 6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.705 8.769 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.393 7.997 7.131 1.00 0.00 H new ATOM 565 N ASP A 40 -2.266 5.971 7.345 1.00 0.00 N ATOM 566 CA ASP A 40 -1.286 5.413 8.261 1.00 0.00 C ATOM 567 C ASP A 40 -0.190 4.707 7.461 1.00 0.00 C ATOM 568 O ASP A 40 0.921 4.519 7.955 1.00 0.00 O ATOM 569 CB ASP A 40 -1.928 4.385 9.194 1.00 0.00 C ATOM 570 CG ASP A 40 -2.034 4.817 10.658 1.00 0.00 C ATOM 571 OD1 ASP A 40 -2.809 5.764 10.915 1.00 0.00 O ATOM 572 OD2 ASP A 40 -1.339 4.191 11.487 1.00 0.00 O ATOM 0 H ASP A 40 -3.211 5.603 7.455 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.874 6.230 8.853 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.928 4.157 8.825 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.351 3.461 9.144 1.00 0.00 H new ATOM 577 N ILE A 41 -0.540 4.335 6.239 1.00 0.00 N ATOM 578 CA ILE A 41 0.400 3.654 5.365 1.00 0.00 C ATOM 579 C ILE A 41 1.213 4.692 4.589 1.00 0.00 C ATOM 580 O ILE A 41 2.434 4.757 4.723 1.00 0.00 O ATOM 581 CB ILE A 41 -0.330 2.650 4.471 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.351 1.842 5.274 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.663 1.749 3.734 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.668 0.714 6.050 1.00 0.00 C ATOM 0 H ILE A 41 -1.462 4.492 5.833 1.00 0.00 H new ATOM 0 HA ILE A 41 1.108 3.068 5.951 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.883 3.206 3.714 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.876 2.499 5.967 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.100 1.424 4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.118 1.045 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.316 2.360 3.112 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.263 1.199 4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.416 0.155 6.613 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.164 0.045 5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.063 1.137 6.739 1.00 0.00 H new ATOM 596 N GLU A 42 0.502 5.479 3.794 1.00 0.00 N ATOM 597 CA GLU A 42 1.142 6.511 2.996 1.00 0.00 C ATOM 598 C GLU A 42 2.250 7.194 3.801 1.00 0.00 C ATOM 599 O GLU A 42 3.385 7.295 3.339 1.00 0.00 O ATOM 600 CB GLU A 42 0.118 7.531 2.496 1.00 0.00 C ATOM 601 CG GLU A 42 0.567 8.156 1.173 1.00 0.00 C ATOM 602 CD GLU A 42 -0.591 8.214 0.174 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.438 9.117 0.339 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.601 7.353 -0.732 1.00 0.00 O ATOM 0 H GLU A 42 -0.511 5.423 3.686 1.00 0.00 H new ATOM 0 HA GLU A 42 1.593 6.040 2.122 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.849 7.046 2.363 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.017 8.312 3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.948 9.161 1.352 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.387 7.575 0.752 1.00 0.00 H new ATOM 611 N ALA A 43 1.880 7.645 4.990 1.00 0.00 N ATOM 612 CA ALA A 43 2.828 8.315 5.864 1.00 0.00 C ATOM 613 C ALA A 43 3.990 7.369 6.171 1.00 0.00 C ATOM 614 O ALA A 43 5.153 7.737 6.016 1.00 0.00 O ATOM 615 CB ALA A 43 2.110 8.788 7.130 1.00 0.00 C ATOM 0 H ALA A 43 0.937 7.560 5.369 1.00 0.00 H new ATOM 0 HA ALA A 43 3.242 9.197 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.821 9.291 7.785 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.314 9.481 6.859 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.683 7.930 7.648 1.00 0.00 H new ATOM 621 N MET A 44 3.634 6.167 6.601 1.00 0.00 N ATOM 622 CA MET A 44 4.633 5.165 6.932 1.00 0.00 C ATOM 623 C MET A 44 5.725 5.105 5.862 1.00 0.00 C ATOM 624 O MET A 44 6.863 5.501 6.109 1.00 0.00 O ATOM 625 CB MET A 44 3.962 3.795 7.052 1.00 0.00 C ATOM 626 CG MET A 44 4.621 2.956 8.149 1.00 0.00 C ATOM 627 SD MET A 44 3.391 1.969 8.984 1.00 0.00 S ATOM 628 CE MET A 44 2.923 0.869 7.658 1.00 0.00 C ATOM 0 H MET A 44 2.668 5.865 6.728 1.00 0.00 H new ATOM 0 HA MET A 44 5.094 5.439 7.881 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.903 3.923 7.274 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.027 3.270 6.099 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.384 2.310 7.715 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.123 3.607 8.864 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.293 0.072 8.052 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.372 1.426 6.900 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.818 0.437 7.211 1.00 0.00 H new ATOM 638 N VAL A 45 5.340 4.608 4.696 1.00 0.00 N ATOM 639 CA VAL A 45 6.273 4.492 3.587 1.00 0.00 C ATOM 640 C VAL A 45 6.936 5.848 3.340 1.00 0.00 C ATOM 641 O VAL A 45 8.118 5.914 3.007 1.00 0.00 O ATOM 642 CB VAL A 45 5.553 3.944 2.353 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.517 3.801 1.174 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.866 2.613 2.664 1.00 0.00 C ATOM 0 H VAL A 45 4.395 4.281 4.495 1.00 0.00 H new ATOM 0 HA VAL A 45 7.065 3.782 3.826 1.00 0.00 H new ATOM 0 HB VAL A 45 4.782 4.660 2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.980 3.410 0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.938 4.776 0.928 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.321 3.115 1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.362 2.246 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.611 1.885 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.135 2.758 3.459 1.00 0.00 H new ATOM 654 N LYS A 46 6.145 6.898 3.512 1.00 0.00 N ATOM 655 CA LYS A 46 6.641 8.249 3.312 1.00 0.00 C ATOM 656 C LYS A 46 7.856 8.480 4.213 1.00 0.00 C ATOM 657 O LYS A 46 8.983 8.575 3.729 1.00 0.00 O ATOM 658 CB LYS A 46 5.518 9.267 3.519 1.00 0.00 C ATOM 659 CG LYS A 46 4.951 9.738 2.179 1.00 0.00 C ATOM 660 CD LYS A 46 3.443 9.980 2.276 1.00 0.00 C ATOM 661 CE LYS A 46 3.130 11.476 2.325 1.00 0.00 C ATOM 662 NZ LYS A 46 2.444 11.903 1.084 1.00 0.00 N ATOM 0 H LYS A 46 5.165 6.840 3.788 1.00 0.00 H new ATOM 0 HA LYS A 46 6.977 8.384 2.284 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.724 8.821 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.896 10.122 4.079 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.451 10.656 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.154 8.991 1.411 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.943 9.528 1.419 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.050 9.493 3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.501 11.694 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.053 12.043 2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.494 12.938 0.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.907 11.464 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.448 11.607 1.118 1.00 0.00 H new ATOM 676 N VAL A 47 7.585 8.565 5.507 1.00 0.00 N ATOM 677 CA VAL A 47 8.642 8.784 6.480 1.00 0.00 C ATOM 678 C VAL A 47 9.722 7.713 6.303 1.00 0.00 C ATOM 679 O VAL A 47 10.913 8.017 6.335 1.00 0.00 O ATOM 680 CB VAL A 47 8.056 8.814 7.892 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.940 9.855 8.000 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.556 7.429 8.308 1.00 0.00 C ATOM 0 H VAL A 47 6.649 8.486 5.904 1.00 0.00 H new ATOM 0 HA VAL A 47 9.115 9.753 6.319 1.00 0.00 H new ATOM 0 HB VAL A 47 8.852 9.103 8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.540 9.856 9.014 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.339 10.842 7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.144 9.610 7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.144 7.478 9.316 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.782 7.099 7.616 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.385 6.722 8.289 1.00 0.00 H new ATOM 692 N SER A 48 9.265 6.483 6.121 1.00 0.00 N ATOM 693 CA SER A 48 10.177 5.366 5.940 1.00 0.00 C ATOM 694 C SER A 48 11.186 5.688 4.836 1.00 0.00 C ATOM 695 O SER A 48 12.351 5.305 4.924 1.00 0.00 O ATOM 696 CB SER A 48 9.415 4.082 5.604 1.00 0.00 C ATOM 697 OG SER A 48 9.189 3.279 6.759 1.00 0.00 O ATOM 0 H SER A 48 8.276 6.235 6.095 1.00 0.00 H new ATOM 0 HA SER A 48 10.711 5.205 6.876 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.459 4.337 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.978 3.508 4.868 1.00 0.00 H new ATOM 0 HG SER A 48 8.225 3.161 6.892 1.00 0.00 H new ATOM 703 N PHE A 49 10.701 6.389 3.821 1.00 0.00 N ATOM 704 CA PHE A 49 11.546 6.767 2.701 1.00 0.00 C ATOM 705 C PHE A 49 11.768 8.280 2.668 1.00 0.00 C ATOM 706 O PHE A 49 12.250 8.819 1.673 1.00 0.00 O ATOM 707 CB PHE A 49 10.815 6.342 1.426 1.00 0.00 C ATOM 708 CG PHE A 49 10.915 4.847 1.120 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.105 4.307 0.746 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.812 4.057 1.222 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.198 2.918 0.463 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.904 2.669 0.938 1.00 0.00 C ATOM 713 CZ PHE A 49 11.095 2.129 0.565 1.00 0.00 C ATOM 0 H PHE A 49 9.734 6.705 3.751 1.00 0.00 H new ATOM 0 HA PHE A 49 12.520 6.286 2.791 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.763 6.615 1.515 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.220 6.903 0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.980 4.934 0.664 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.866 4.486 1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.144 2.489 0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.028 2.042 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.165 1.073 0.350 1.00 0.00 H new ATOM 723 N ASP A 50 11.405 8.924 3.768 1.00 0.00 N ATOM 724 CA ASP A 50 11.559 10.364 3.877 1.00 0.00 C ATOM 725 C ASP A 50 11.035 11.027 2.602 1.00 0.00 C ATOM 726 O ASP A 50 11.813 11.379 1.716 1.00 0.00 O ATOM 727 CB ASP A 50 13.030 10.751 4.041 1.00 0.00 C ATOM 728 CG ASP A 50 13.336 11.634 5.252 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.866 12.793 5.242 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.033 11.132 6.160 1.00 0.00 O ATOM 0 H ASP A 50 11.005 8.474 4.591 1.00 0.00 H new ATOM 0 HA ASP A 50 10.999 10.697 4.751 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.623 9.840 4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.356 11.271 3.140 1.00 0.00 H new ATOM 735 N LEU A 51 9.720 11.177 2.548 1.00 0.00 N ATOM 736 CA LEU A 51 9.083 11.791 1.396 1.00 0.00 C ATOM 737 C LEU A 51 7.896 12.636 1.864 1.00 0.00 C ATOM 738 O LEU A 51 7.148 12.225 2.749 1.00 0.00 O ATOM 739 CB LEU A 51 8.710 10.728 0.360 1.00 0.00 C ATOM 740 CG LEU A 51 9.821 9.751 -0.028 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.249 8.528 -0.748 1.00 0.00 C ATOM 742 CD2 LEU A 51 10.902 10.449 -0.855 1.00 0.00 C ATOM 0 H LEU A 51 9.078 10.884 3.284 1.00 0.00 H new ATOM 0 HA LEU A 51 9.776 12.465 0.893 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.867 10.154 0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.366 11.233 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 51 10.296 9.394 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.060 7.849 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.546 8.015 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.733 8.847 -1.653 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.679 9.731 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.459 10.853 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.339 11.260 -0.273 1.00 0.00 H new ATOM 754 N ASN A 52 7.762 13.802 1.249 1.00 0.00 N ATOM 755 CA ASN A 52 6.680 14.708 1.592 1.00 0.00 C ATOM 756 C ASN A 52 5.404 14.268 0.871 1.00 0.00 C ATOM 757 O ASN A 52 4.338 14.190 1.480 1.00 0.00 O ATOM 758 CB ASN A 52 7.000 16.139 1.155 1.00 0.00 C ATOM 759 CG ASN A 52 7.918 16.829 2.166 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.803 16.654 3.368 1.00 0.00 O ATOM 761 ND2 ASN A 52 8.833 17.621 1.614 1.00 0.00 N ATOM 0 H ASN A 52 8.385 14.140 0.515 1.00 0.00 H new ATOM 0 HA ASN A 52 6.549 14.682 2.674 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.477 16.126 0.175 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.075 16.707 1.051 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.493 18.127 2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.874 17.723 0.600 1.00 0.00 H new ATOM 768 N THR A 53 5.555 13.993 -0.416 1.00 0.00 N ATOM 769 CA THR A 53 4.428 13.563 -1.227 1.00 0.00 C ATOM 770 C THR A 53 4.833 12.393 -2.126 1.00 0.00 C ATOM 771 O THR A 53 5.861 12.450 -2.799 1.00 0.00 O ATOM 772 CB THR A 53 3.913 14.777 -2.003 1.00 0.00 C ATOM 773 OG1 THR A 53 5.088 15.346 -2.575 1.00 0.00 O ATOM 774 CG2 THR A 53 3.376 15.875 -1.084 1.00 0.00 C ATOM 0 H THR A 53 6.441 14.059 -0.918 1.00 0.00 H new ATOM 0 HA THR A 53 3.614 13.188 -0.606 1.00 0.00 H new ATOM 0 HB THR A 53 3.127 14.463 -2.689 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.741 14.637 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.024 16.713 -1.686 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.551 15.482 -0.491 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.171 16.214 -0.420 1.00 0.00 H new ATOM 782 N ILE A 54 4.004 11.360 -2.108 1.00 0.00 N ATOM 783 CA ILE A 54 4.264 10.179 -2.913 1.00 0.00 C ATOM 784 C ILE A 54 2.963 9.726 -3.581 1.00 0.00 C ATOM 785 O ILE A 54 1.900 10.285 -3.318 1.00 0.00 O ATOM 786 CB ILE A 54 4.932 9.091 -2.070 1.00 0.00 C ATOM 787 CG1 ILE A 54 3.949 8.501 -1.057 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.200 9.621 -1.397 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.617 7.412 -0.214 1.00 0.00 C ATOM 0 H ILE A 54 3.152 11.316 -1.549 1.00 0.00 H new ATOM 0 HA ILE A 54 4.970 10.410 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 54 5.234 8.281 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.574 9.291 -0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.089 8.084 -1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.656 8.828 -0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 54 6.904 9.954 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.944 10.459 -0.748 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.896 7.010 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.969 6.612 -0.866 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.462 7.838 0.327 1.00 0.00 H new ATOM 801 N GLN A 55 3.092 8.719 -4.432 1.00 0.00 N ATOM 802 CA GLN A 55 1.940 8.185 -5.139 1.00 0.00 C ATOM 803 C GLN A 55 2.048 6.664 -5.258 1.00 0.00 C ATOM 804 O GLN A 55 2.163 6.130 -6.361 1.00 0.00 O ATOM 805 CB GLN A 55 1.794 8.834 -6.517 1.00 0.00 C ATOM 806 CG GLN A 55 0.494 8.396 -7.194 1.00 0.00 C ATOM 807 CD GLN A 55 -0.598 8.120 -6.159 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.905 6.987 -5.829 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.166 9.218 -5.666 1.00 0.00 N ATOM 0 H GLN A 55 3.976 8.259 -4.648 1.00 0.00 H new ATOM 0 HA GLN A 55 1.044 8.422 -4.565 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.808 9.919 -6.415 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.644 8.562 -7.143 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.159 9.172 -7.883 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.673 7.499 -7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.861 10.137 -5.986 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.906 9.140 -4.968 1.00 0.00 H new ATOM 818 N ILE A 56 2.008 6.008 -4.108 1.00 0.00 N ATOM 819 CA ILE A 56 2.100 4.558 -4.069 1.00 0.00 C ATOM 820 C ILE A 56 1.233 3.966 -5.182 1.00 0.00 C ATOM 821 O ILE A 56 0.246 4.574 -5.594 1.00 0.00 O ATOM 822 CB ILE A 56 1.751 4.036 -2.674 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.756 4.536 -1.634 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.636 2.510 -2.673 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.063 4.840 -0.304 1.00 0.00 C ATOM 0 H ILE A 56 1.913 6.454 -3.196 1.00 0.00 H new ATOM 0 HA ILE A 56 3.124 4.236 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 56 0.775 4.433 -2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.531 3.785 -1.481 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.251 5.434 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.387 2.165 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.853 2.204 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.586 2.073 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.800 5.194 0.418 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.306 5.609 -0.456 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.590 3.934 0.075 1.00 0.00 H new ATOM 837 N LYS A 57 1.633 2.788 -5.638 1.00 0.00 N ATOM 838 CA LYS A 57 0.905 2.108 -6.695 1.00 0.00 C ATOM 839 C LYS A 57 1.113 0.598 -6.561 1.00 0.00 C ATOM 840 O LYS A 57 2.243 0.116 -6.615 1.00 0.00 O ATOM 841 CB LYS A 57 1.303 2.665 -8.063 1.00 0.00 C ATOM 842 CG LYS A 57 0.596 3.993 -8.341 1.00 0.00 C ATOM 843 CD LYS A 57 0.123 4.069 -9.795 1.00 0.00 C ATOM 844 CE LYS A 57 -0.074 5.522 -10.231 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.180 5.623 -11.210 1.00 0.00 N ATOM 0 H LYS A 57 2.452 2.287 -5.294 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.165 2.292 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.383 2.809 -8.101 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.050 1.944 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.257 4.102 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.274 4.821 -8.132 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.853 3.586 -10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.813 3.522 -9.906 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.292 6.143 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.847 5.904 -10.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.812 5.983 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.600 4.683 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.906 6.274 -10.848 1.00 0.00 H new ATOM 859 N TYR A 58 0.004 -0.107 -6.390 1.00 0.00 N ATOM 860 CA TYR A 58 0.051 -1.552 -6.248 1.00 0.00 C ATOM 861 C TYR A 58 -0.515 -2.243 -7.491 1.00 0.00 C ATOM 862 O TYR A 58 -1.481 -1.767 -8.085 1.00 0.00 O ATOM 863 CB TYR A 58 -0.835 -1.887 -5.046 1.00 0.00 C ATOM 864 CG TYR A 58 -2.325 -1.989 -5.380 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.810 -3.101 -6.036 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.183 -0.968 -5.025 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.212 -3.197 -6.350 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.585 -1.063 -5.339 1.00 0.00 C ATOM 869 CZ TYR A 58 -5.030 -2.173 -5.986 1.00 0.00 C ATOM 870 OH TYR A 58 -6.355 -2.264 -6.283 1.00 0.00 O ATOM 0 H TYR A 58 -0.932 0.296 -6.347 1.00 0.00 H new ATOM 0 HA TYR A 58 1.078 -1.892 -6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.504 -2.832 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.696 -1.123 -4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.138 -3.900 -6.314 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.803 -0.097 -4.511 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.605 -4.062 -6.863 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.267 -0.271 -5.067 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.465 -2.684 -7.161 1.00 0.00 H new ATOM 880 N LEU A 59 0.112 -3.355 -7.847 1.00 0.00 N ATOM 881 CA LEU A 59 -0.316 -4.116 -9.008 1.00 0.00 C ATOM 882 C LEU A 59 -1.563 -4.926 -8.650 1.00 0.00 C ATOM 883 O LEU A 59 -1.566 -5.668 -7.668 1.00 0.00 O ATOM 884 CB LEU A 59 0.837 -4.967 -9.545 1.00 0.00 C ATOM 885 CG LEU A 59 1.807 -4.261 -10.494 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.754 -5.263 -11.157 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.051 -3.419 -11.524 1.00 0.00 C ATOM 0 H LEU A 59 0.913 -3.747 -7.352 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.594 -3.446 -9.822 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.404 -5.351 -8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.416 -5.829 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 59 2.421 -3.578 -9.907 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.433 -4.734 -11.826 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.331 -5.781 -10.390 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.174 -5.989 -11.727 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.764 -2.928 -12.186 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.396 -4.063 -12.110 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.454 -2.665 -11.010 1.00 0.00 H new ATOM 899 N ASP A 60 -2.594 -4.757 -9.465 1.00 0.00 N ATOM 900 CA ASP A 60 -3.845 -5.463 -9.246 1.00 0.00 C ATOM 901 C ASP A 60 -3.734 -6.878 -9.819 1.00 0.00 C ATOM 902 O ASP A 60 -2.635 -7.416 -9.946 1.00 0.00 O ATOM 903 CB ASP A 60 -5.006 -4.758 -9.950 1.00 0.00 C ATOM 904 CG ASP A 60 -6.276 -4.608 -9.111 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.844 -5.660 -8.747 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.650 -3.444 -8.851 1.00 0.00 O ATOM 0 H ASP A 60 -2.589 -4.141 -10.278 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.035 -5.487 -8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.675 -3.767 -10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.251 -5.311 -10.857 1.00 0.00 H new ATOM 911 N GLU A 61 -4.887 -7.440 -10.150 1.00 0.00 N ATOM 912 CA GLU A 61 -4.934 -8.782 -10.706 1.00 0.00 C ATOM 913 C GLU A 61 -4.736 -8.735 -12.222 1.00 0.00 C ATOM 914 O GLU A 61 -4.980 -9.722 -12.914 1.00 0.00 O ATOM 915 CB GLU A 61 -6.246 -9.480 -10.345 1.00 0.00 C ATOM 916 CG GLU A 61 -6.252 -9.913 -8.878 1.00 0.00 C ATOM 917 CD GLU A 61 -6.841 -11.317 -8.723 1.00 0.00 C ATOM 918 OE1 GLU A 61 -8.041 -11.467 -9.038 1.00 0.00 O ATOM 919 OE2 GLU A 61 -6.077 -12.208 -8.294 1.00 0.00 O ATOM 0 H GLU A 61 -5.796 -6.990 -10.044 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.121 -9.363 -10.271 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.083 -8.808 -10.533 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.387 -10.351 -10.985 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.235 -9.896 -8.486 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.833 -9.204 -8.288 1.00 0.00 H new ATOM 926 N GLU A 62 -4.295 -7.578 -12.694 1.00 0.00 N ATOM 927 CA GLU A 62 -4.061 -7.389 -14.115 1.00 0.00 C ATOM 928 C GLU A 62 -2.623 -6.929 -14.361 1.00 0.00 C ATOM 929 O GLU A 62 -2.243 -6.645 -15.496 1.00 0.00 O ATOM 930 CB GLU A 62 -5.063 -6.397 -14.709 1.00 0.00 C ATOM 931 CG GLU A 62 -6.495 -6.755 -14.305 1.00 0.00 C ATOM 932 CD GLU A 62 -7.312 -7.198 -15.521 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.034 -8.311 -16.017 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.197 -6.413 -15.926 1.00 0.00 O ATOM 0 H GLU A 62 -4.094 -6.762 -12.117 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.206 -8.346 -14.617 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.827 -5.389 -14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.978 -6.395 -15.796 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.479 -7.553 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.971 -5.894 -13.837 1.00 0.00 H new ATOM 941 N ASN A 63 -1.862 -6.870 -13.278 1.00 0.00 N ATOM 942 CA ASN A 63 -0.473 -6.450 -13.361 1.00 0.00 C ATOM 943 C ASN A 63 -0.416 -4.954 -13.679 1.00 0.00 C ATOM 944 O ASN A 63 0.586 -4.464 -14.197 1.00 0.00 O ATOM 945 CB ASN A 63 0.263 -7.198 -14.474 1.00 0.00 C ATOM 946 CG ASN A 63 1.377 -8.076 -13.900 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.117 -7.684 -13.014 1.00 0.00 O ATOM 948 ND2 ASN A 63 1.454 -9.283 -14.454 1.00 0.00 N ATOM 0 H ASN A 63 -2.181 -7.106 -12.338 1.00 0.00 H new ATOM 0 HA ASN A 63 0.003 -6.667 -12.405 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.442 -7.816 -15.030 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.686 -6.483 -15.180 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.165 -9.944 -14.140 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.802 -9.548 -15.193 1.00 0.00 H new ATOM 955 N GLU A 64 -1.504 -4.271 -13.356 1.00 0.00 N ATOM 956 CA GLU A 64 -1.591 -2.841 -13.601 1.00 0.00 C ATOM 957 C GLU A 64 -1.483 -2.070 -12.284 1.00 0.00 C ATOM 958 O GLU A 64 -2.199 -2.364 -11.328 1.00 0.00 O ATOM 959 CB GLU A 64 -2.883 -2.488 -14.339 1.00 0.00 C ATOM 960 CG GLU A 64 -2.742 -2.738 -15.842 1.00 0.00 C ATOM 961 CD GLU A 64 -4.006 -2.308 -16.590 1.00 0.00 C ATOM 962 OE1 GLU A 64 -4.924 -3.151 -16.684 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.025 -1.146 -17.052 1.00 0.00 O ATOM 0 H GLU A 64 -2.333 -4.681 -12.927 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.757 -2.550 -14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.706 -3.083 -13.943 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.133 -1.442 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.883 -2.189 -16.227 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.551 -3.796 -16.022 1.00 0.00 H new ATOM 970 N GLU A 65 -0.583 -1.097 -12.276 1.00 0.00 N ATOM 971 CA GLU A 65 -0.373 -0.282 -11.092 1.00 0.00 C ATOM 972 C GLU A 65 -1.676 0.410 -10.686 1.00 0.00 C ATOM 973 O GLU A 65 -2.338 1.031 -11.516 1.00 0.00 O ATOM 974 CB GLU A 65 0.742 0.741 -11.322 1.00 0.00 C ATOM 975 CG GLU A 65 2.103 0.164 -10.929 1.00 0.00 C ATOM 976 CD GLU A 65 3.155 1.270 -10.816 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.093 2.199 -11.649 1.00 0.00 O ATOM 978 OE2 GLU A 65 3.997 1.160 -9.899 1.00 0.00 O ATOM 0 H GLU A 65 0.009 -0.855 -13.071 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.061 -0.934 -10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.758 1.038 -12.371 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.542 1.640 -10.739 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.018 -0.361 -9.978 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.419 -0.569 -11.671 1.00 0.00 H new ATOM 985 N VAL A 66 -2.005 0.279 -9.409 1.00 0.00 N ATOM 986 CA VAL A 66 -3.217 0.884 -8.883 1.00 0.00 C ATOM 987 C VAL A 66 -2.844 1.933 -7.833 1.00 0.00 C ATOM 988 O VAL A 66 -2.213 1.612 -6.828 1.00 0.00 O ATOM 989 CB VAL A 66 -4.150 -0.200 -8.340 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.415 0.416 -7.738 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.499 -1.218 -9.428 1.00 0.00 C ATOM 0 H VAL A 66 -1.453 -0.237 -8.723 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.763 1.397 -9.675 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.624 -0.727 -7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.061 -0.376 -7.359 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.141 1.083 -6.920 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.945 0.981 -8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.163 -1.978 -9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.996 -0.711 -10.255 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.586 -1.692 -9.789 1.00 0.00 H new ATOM 1001 N SER A 67 -3.251 3.165 -8.103 1.00 0.00 N ATOM 1002 CA SER A 67 -2.967 4.263 -7.195 1.00 0.00 C ATOM 1003 C SER A 67 -4.047 4.339 -6.113 1.00 0.00 C ATOM 1004 O SER A 67 -5.238 4.335 -6.419 1.00 0.00 O ATOM 1005 CB SER A 67 -2.876 5.591 -7.948 1.00 0.00 C ATOM 1006 OG SER A 67 -4.123 6.279 -7.970 1.00 0.00 O ATOM 0 H SER A 67 -3.775 3.427 -8.938 1.00 0.00 H new ATOM 0 HA SER A 67 -2.002 4.077 -6.724 1.00 0.00 H new ATOM 0 HB2 SER A 67 -2.122 6.223 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.546 5.406 -8.970 1.00 0.00 H new ATOM 0 HG SER A 67 -4.023 7.123 -8.459 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.591 4.405 -4.871 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.503 4.482 -3.742 1.00 0.00 C ATOM 1014 C ILE A 68 -4.513 5.912 -3.197 1.00 0.00 C ATOM 1015 O ILE A 68 -3.458 6.515 -3.006 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.148 3.426 -2.694 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.997 2.045 -3.335 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.168 3.421 -1.554 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.566 1.004 -2.301 1.00 0.00 C ATOM 0 H ILE A 68 -2.602 4.407 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.521 4.254 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.182 3.686 -2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.943 1.744 -3.786 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.261 2.091 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.892 2.661 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.182 4.399 -1.074 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.158 3.199 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.466 0.032 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.608 1.295 -1.869 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.316 0.942 -1.512 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.717 6.412 -2.960 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.878 7.759 -2.440 1.00 0.00 C ATOM 1033 C ASN A 69 -6.632 7.701 -1.110 1.00 0.00 C ATOM 1034 O ASN A 69 -6.260 8.375 -0.151 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.687 8.629 -3.405 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.766 9.508 -4.253 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.637 10.703 -4.041 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -5.137 8.853 -5.224 1.00 0.00 N ATOM 0 H ASN A 69 -6.590 5.909 -3.118 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.886 8.191 -2.310 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.290 7.994 -4.055 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.378 9.257 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.501 9.351 -5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.290 7.852 -5.346 1.00 0.00 H new ATOM 1045 N SER A 70 -7.679 6.889 -1.096 1.00 0.00 N ATOM 1046 CA SER A 70 -8.489 6.735 0.101 1.00 0.00 C ATOM 1047 C SER A 70 -8.406 5.293 0.606 1.00 0.00 C ATOM 1048 O SER A 70 -7.749 4.453 -0.008 1.00 0.00 O ATOM 1049 CB SER A 70 -9.946 7.120 -0.166 1.00 0.00 C ATOM 1050 OG SER A 70 -10.446 8.027 0.812 1.00 0.00 O ATOM 0 H SER A 70 -7.985 6.331 -1.893 1.00 0.00 H new ATOM 0 HA SER A 70 -8.099 7.405 0.867 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.026 7.572 -1.154 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.563 6.221 -0.176 1.00 0.00 H new ATOM 0 HG SER A 70 -11.378 8.250 0.606 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.081 5.050 1.720 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.092 3.724 2.314 1.00 0.00 C ATOM 1058 C GLN A 71 -9.726 2.716 1.354 1.00 0.00 C ATOM 1059 O GLN A 71 -9.126 1.690 1.040 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.821 3.732 3.660 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.938 2.317 4.228 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.166 2.189 5.543 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.601 2.632 6.594 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.001 1.559 5.427 1.00 0.00 N ATOM 0 H GLN A 71 -9.624 5.749 2.227 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.061 3.422 2.497 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.284 4.367 4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.815 4.162 3.537 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.987 2.073 4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.553 1.598 3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.697 1.213 4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.412 1.422 6.248 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.932 3.045 0.913 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.654 2.181 -0.006 1.00 0.00 C ATOM 1075 C GLY A 72 -10.708 1.566 -1.039 1.00 0.00 C ATOM 1076 O GLY A 72 -10.769 0.367 -1.305 1.00 0.00 O ATOM 0 H GLY A 72 -11.427 3.898 1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.154 1.389 0.551 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.431 2.753 -0.514 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.854 2.415 -1.592 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.896 1.970 -2.590 1.00 0.00 C ATOM 1082 C GLU A 73 -7.922 0.962 -1.977 1.00 0.00 C ATOM 1083 O GLU A 73 -7.613 -0.059 -2.589 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.147 3.157 -3.198 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.940 3.773 -4.352 1.00 0.00 C ATOM 1086 CD GLU A 73 -8.006 4.437 -5.367 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.571 3.718 -6.292 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.749 5.648 -5.193 1.00 0.00 O ATOM 0 H GLU A 73 -9.806 3.409 -1.368 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.441 1.476 -3.395 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.969 3.911 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.171 2.831 -3.556 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.529 3.001 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.643 4.510 -3.963 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.464 1.284 -0.776 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.531 0.419 -0.074 1.00 0.00 C ATOM 1097 C TYR A 74 -7.200 -0.897 0.328 1.00 0.00 C ATOM 1098 O TYR A 74 -6.639 -1.971 0.120 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.123 1.178 1.191 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.035 0.482 2.010 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.030 -0.215 1.370 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.057 0.551 3.388 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.005 -0.870 2.141 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.032 -0.104 4.159 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.056 -0.782 3.497 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.088 -1.401 4.225 1.00 0.00 O ATOM 0 H TYR A 74 -7.722 2.132 -0.271 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.679 0.177 -0.709 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.772 2.171 0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.003 1.317 1.819 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.012 -0.269 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.843 1.096 3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.213 -1.419 1.653 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.038 -0.058 5.238 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.504 -1.946 4.925 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.390 -0.769 0.897 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.141 -1.935 1.331 1.00 0.00 C ATOM 1118 C GLU A 75 -9.058 -3.042 0.277 1.00 0.00 C ATOM 1119 O GLU A 75 -8.544 -4.125 0.548 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.596 -1.570 1.629 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.697 -0.702 2.885 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.877 -1.135 3.758 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -11.653 -2.011 4.621 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -12.976 -0.581 3.541 1.00 0.00 O ATOM 0 H GLU A 75 -8.852 0.124 1.067 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.697 -2.306 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.022 -1.037 0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.183 -2.479 1.762 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.772 -0.774 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.815 0.343 2.600 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.573 -2.730 -0.904 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.564 -3.684 -1.999 1.00 0.00 C ATOM 1133 C GLU A 76 -8.168 -4.289 -2.165 1.00 0.00 C ATOM 1134 O GLU A 76 -8.007 -5.508 -2.129 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.036 -3.030 -3.300 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.513 -2.641 -3.213 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.284 -3.138 -4.438 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.013 -4.286 -4.852 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.127 -2.358 -4.932 1.00 0.00 O ATOM 0 H GLU A 76 -9.999 -1.830 -1.126 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.261 -4.487 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.434 -2.145 -3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.886 -3.718 -4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.951 -3.062 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.604 -1.557 -3.137 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.194 -3.409 -2.344 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.817 -3.840 -2.516 1.00 0.00 C ATOM 1148 C ALA A 77 -5.466 -4.856 -1.426 1.00 0.00 C ATOM 1149 O ALA A 77 -4.779 -5.842 -1.690 1.00 0.00 O ATOM 1150 CB ALA A 77 -4.893 -2.621 -2.495 1.00 0.00 C ATOM 0 H ALA A 77 -7.331 -2.399 -2.374 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.686 -4.331 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.860 -2.945 -2.624 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.165 -1.944 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.994 -2.104 -1.541 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.954 -4.581 -0.226 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.701 -5.458 0.904 1.00 0.00 C ATOM 1158 C LEU A 78 -6.453 -6.775 0.701 1.00 0.00 C ATOM 1159 O LEU A 78 -5.982 -7.833 1.115 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.042 -4.752 2.218 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.986 -3.783 2.753 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.556 -2.915 3.876 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.726 -4.533 3.191 1.00 0.00 C ATOM 0 H LEU A 78 -6.524 -3.763 -0.011 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.640 -5.702 0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.974 -4.203 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.228 -5.511 2.978 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.697 -3.112 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.784 -2.236 4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.399 -2.338 3.497 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.891 -3.552 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.991 -3.821 3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.980 -5.243 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.308 -5.070 2.340 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.609 -6.667 0.062 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.430 -7.836 -0.202 1.00 0.00 C ATOM 1177 C LYS A 79 -7.738 -8.715 -1.245 1.00 0.00 C ATOM 1178 O LYS A 79 -7.747 -9.940 -1.134 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.849 -7.417 -0.594 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.609 -6.859 0.612 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.388 -5.598 0.233 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.493 -5.310 1.251 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.628 -4.618 0.602 1.00 0.00 N ATOM 0 H LYS A 79 -7.996 -5.788 -0.281 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.538 -8.437 0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.805 -6.664 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.385 -8.274 -1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.296 -7.614 0.995 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.908 -6.630 1.414 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.708 -4.748 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.825 -5.720 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.836 -6.243 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.099 -4.695 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.369 -4.430 1.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -13.300 -3.718 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.014 -5.218 -0.154 1.00 0.00 H new ATOM 1197 N MET A 80 -7.155 -8.056 -2.235 1.00 0.00 N ATOM 1198 CA MET A 80 -6.460 -8.762 -3.298 1.00 0.00 C ATOM 1199 C MET A 80 -5.181 -9.419 -2.774 1.00 0.00 C ATOM 1200 O MET A 80 -4.875 -10.557 -3.127 1.00 0.00 O ATOM 1201 CB MET A 80 -6.108 -7.781 -4.418 1.00 0.00 C ATOM 1202 CG MET A 80 -5.818 -8.522 -5.725 1.00 0.00 C ATOM 1203 SD MET A 80 -4.873 -7.479 -6.822 1.00 0.00 S ATOM 1204 CE MET A 80 -3.240 -7.711 -6.140 1.00 0.00 C ATOM 0 H MET A 80 -7.150 -7.040 -2.324 1.00 0.00 H new ATOM 0 HA MET A 80 -7.117 -9.543 -3.681 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.932 -7.083 -4.567 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.238 -7.191 -4.129 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.267 -9.439 -5.518 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.753 -8.813 -6.203 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.766 -6.741 -5.992 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.315 -8.228 -5.183 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.640 -8.306 -6.828 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.470 -8.675 -1.940 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.232 -9.171 -1.364 1.00 0.00 C ATOM 1216 C ALA A 81 -3.472 -10.560 -0.768 1.00 0.00 C ATOM 1217 O ALA A 81 -2.634 -11.450 -0.904 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.715 -8.173 -0.326 1.00 0.00 C ATOM 0 H ALA A 81 -4.728 -7.732 -1.649 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.465 -9.269 -2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.786 -8.546 0.106 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.532 -7.211 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.458 -8.050 0.462 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.620 -10.701 -0.122 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.981 -11.966 0.495 1.00 0.00 C ATOM 1226 C VAL A 82 -4.950 -13.071 -0.562 1.00 0.00 C ATOM 1227 O VAL A 82 -4.452 -14.166 -0.306 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.338 -11.841 1.190 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.776 -13.181 1.784 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.307 -10.750 2.262 1.00 0.00 C ATOM 0 H VAL A 82 -5.312 -9.960 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.259 -12.234 1.267 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.073 -11.552 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.744 -13.064 2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.858 -13.922 0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.039 -13.513 2.515 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.284 -10.682 2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.553 -10.996 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.062 -9.793 1.801 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.488 -12.746 -1.728 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.528 -13.697 -2.826 1.00 0.00 C ATOM 1242 C LYS A 83 -4.105 -14.154 -3.151 1.00 0.00 C ATOM 1243 O LYS A 83 -3.838 -15.352 -3.238 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.272 -13.103 -4.023 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.733 -12.814 -3.673 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.630 -12.947 -4.905 1.00 0.00 C ATOM 1247 CE LYS A 83 -8.483 -11.733 -5.824 1.00 0.00 C ATOM 1248 NZ LYS A 83 -9.778 -11.407 -6.463 1.00 0.00 N ATOM 0 H LYS A 83 -5.900 -11.837 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.091 -14.585 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.782 -12.183 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.226 -13.795 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.068 -13.504 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.820 -11.808 -3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.372 -13.854 -5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.670 -13.048 -4.593 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.128 -10.877 -5.251 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.734 -11.937 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.639 -11.287 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.453 -12.180 -6.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.153 -10.525 -6.058 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.228 -13.176 -3.322 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.839 -13.463 -3.636 1.00 0.00 C ATOM 1264 C GLN A 84 -1.242 -14.406 -2.589 1.00 0.00 C ATOM 1265 O GLN A 84 -0.952 -15.564 -2.885 1.00 0.00 O ATOM 1266 CB GLN A 84 -1.022 -12.173 -3.741 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.796 -11.096 -4.504 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.921 -10.453 -5.582 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.301 -11.120 -6.394 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.907 -9.124 -5.546 1.00 0.00 N ATOM 0 H GLN A 84 -3.453 -12.184 -3.249 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.801 -13.958 -4.606 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.776 -11.811 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.078 -12.376 -4.248 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.681 -11.536 -4.963 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.144 -10.332 -3.809 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.449 -8.627 -4.839 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.354 -8.601 -6.225 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.075 -13.875 -1.387 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.518 -14.654 -0.295 1.00 0.00 C ATOM 1281 C GLY A 85 -0.260 -13.775 0.930 1.00 0.00 C ATOM 1282 O GLY A 85 0.760 -13.924 1.602 1.00 0.00 O ATOM 0 H GLY A 85 -1.316 -12.914 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.204 -15.459 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.414 -15.121 -0.615 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.202 -12.879 1.185 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.089 -11.976 2.317 1.00 0.00 C ATOM 1288 C ASN A 86 0.021 -10.959 2.045 1.00 0.00 C ATOM 1289 O ASN A 86 0.713 -10.529 2.966 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.730 -12.737 3.595 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.619 -13.970 3.767 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.376 -15.026 3.205 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.660 -13.779 4.572 1.00 0.00 N ATOM 0 H ASN A 86 -2.047 -12.759 0.627 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.051 -11.481 2.450 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.316 -13.041 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.842 -12.080 4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.313 -14.542 4.751 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.805 -12.870 5.011 1.00 0.00 H new ATOM 1300 N GLN A 87 0.156 -10.604 0.776 1.00 0.00 N ATOM 1301 CA GLN A 87 1.170 -9.645 0.371 1.00 0.00 C ATOM 1302 C GLN A 87 0.679 -8.826 -0.824 1.00 0.00 C ATOM 1303 O GLN A 87 -0.189 -9.272 -1.573 1.00 0.00 O ATOM 1304 CB GLN A 87 2.491 -10.348 0.048 1.00 0.00 C ATOM 1305 CG GLN A 87 2.373 -11.175 -1.234 1.00 0.00 C ATOM 1306 CD GLN A 87 2.818 -10.363 -2.452 1.00 0.00 C ATOM 1307 OE1 GLN A 87 2.925 -9.149 -2.416 1.00 0.00 O ATOM 1308 NE2 GLN A 87 3.070 -11.100 -3.530 1.00 0.00 N ATOM 0 H GLN A 87 -0.420 -10.963 0.015 1.00 0.00 H new ATOM 0 HA GLN A 87 1.352 -8.964 1.203 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.283 -9.608 -0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.775 -10.995 0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.983 -12.074 -1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.342 -11.502 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.960 -12.113 -3.492 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.373 -10.652 -4.395 1.00 0.00 H new ATOM 1317 N LEU A 88 1.255 -7.641 -0.966 1.00 0.00 N ATOM 1318 CA LEU A 88 0.887 -6.756 -2.057 1.00 0.00 C ATOM 1319 C LEU A 88 2.136 -6.035 -2.567 1.00 0.00 C ATOM 1320 O LEU A 88 2.946 -5.553 -1.776 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.235 -5.810 -1.624 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.952 -5.060 -2.749 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.555 -6.036 -3.761 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -2.000 -4.098 -2.186 1.00 0.00 C ATOM 0 H LEU A 88 1.974 -7.274 -0.343 1.00 0.00 H new ATOM 0 HA LEU A 88 0.485 -7.329 -2.893 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.975 -6.386 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.181 -5.077 -0.933 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.216 -4.458 -3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.059 -5.477 -4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.762 -6.644 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.274 -6.683 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.495 -3.578 -3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.739 -4.659 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.514 -3.371 -1.536 1.00 0.00 H new ATOM 1336 N GLN A 89 2.254 -5.982 -3.886 1.00 0.00 N ATOM 1337 CA GLN A 89 3.391 -5.328 -4.510 1.00 0.00 C ATOM 1338 C GLN A 89 3.066 -3.862 -4.802 1.00 0.00 C ATOM 1339 O GLN A 89 2.406 -3.554 -5.793 1.00 0.00 O ATOM 1340 CB GLN A 89 3.812 -6.060 -5.786 1.00 0.00 C ATOM 1341 CG GLN A 89 4.943 -7.051 -5.502 1.00 0.00 C ATOM 1342 CD GLN A 89 4.434 -8.493 -5.550 1.00 0.00 C ATOM 1343 OE1 GLN A 89 3.682 -8.942 -4.700 1.00 0.00 O ATOM 1344 NE2 GLN A 89 4.883 -9.191 -6.589 1.00 0.00 N ATOM 0 H GLN A 89 1.580 -6.382 -4.539 1.00 0.00 H new ATOM 0 HA GLN A 89 4.231 -5.363 -3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.956 -6.590 -6.205 1.00 0.00 H new ATOM 0 HB3 GLN A 89 4.137 -5.337 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.740 -6.918 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.373 -6.846 -4.522 1.00 0.00 H new ATOM 0 HE21 GLN A 89 5.511 -8.754 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.600 -10.163 -6.711 1.00 0.00 H new ATOM 1353 N MET A 90 3.543 -2.996 -3.919 1.00 0.00 N ATOM 1354 CA MET A 90 3.311 -1.570 -4.069 1.00 0.00 C ATOM 1355 C MET A 90 4.578 -0.856 -4.546 1.00 0.00 C ATOM 1356 O MET A 90 5.689 -1.266 -4.213 1.00 0.00 O ATOM 1357 CB MET A 90 2.867 -0.981 -2.729 1.00 0.00 C ATOM 1358 CG MET A 90 1.609 -1.682 -2.213 1.00 0.00 C ATOM 1359 SD MET A 90 1.458 -1.446 -0.450 1.00 0.00 S ATOM 1360 CE MET A 90 0.142 -0.241 -0.410 1.00 0.00 C ATOM 0 H MET A 90 4.089 -3.255 -3.097 1.00 0.00 H new ATOM 0 HA MET A 90 2.531 -1.424 -4.816 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.670 -1.083 -1.999 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.673 0.086 -2.843 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.728 -1.285 -2.718 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.656 -2.746 -2.443 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.543 0.726 -0.108 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.303 -0.155 -1.401 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.619 -0.557 0.303 1.00 0.00 H new ATOM 1370 N GLN A 91 4.368 0.200 -5.318 1.00 0.00 N ATOM 1371 CA GLN A 91 5.479 0.975 -5.844 1.00 0.00 C ATOM 1372 C GLN A 91 5.284 2.461 -5.534 1.00 0.00 C ATOM 1373 O GLN A 91 4.302 3.064 -5.963 1.00 0.00 O ATOM 1374 CB GLN A 91 5.644 0.746 -7.348 1.00 0.00 C ATOM 1375 CG GLN A 91 6.291 -0.612 -7.628 1.00 0.00 C ATOM 1376 CD GLN A 91 6.177 -0.978 -9.109 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.857 -0.434 -9.964 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.283 -1.929 -9.364 1.00 0.00 N ATOM 0 H GLN A 91 3.445 0.537 -5.592 1.00 0.00 H new ATOM 0 HA GLN A 91 6.394 0.639 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.671 0.797 -7.836 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.257 1.540 -7.775 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.341 -0.586 -7.336 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.810 -1.380 -7.022 1.00 0.00 H new ATOM 0 HE21 GLN A 91 4.747 -2.343 -8.601 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.133 -2.245 -10.322 1.00 0.00 H new ATOM 1387 N VAL A 92 6.235 3.007 -4.791 1.00 0.00 N ATOM 1388 CA VAL A 92 6.180 4.411 -4.418 1.00 0.00 C ATOM 1389 C VAL A 92 6.483 5.272 -5.646 1.00 0.00 C ATOM 1390 O VAL A 92 7.403 4.974 -6.407 1.00 0.00 O ATOM 1391 CB VAL A 92 7.131 4.680 -3.250 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.730 6.084 -3.343 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.424 4.472 -1.909 1.00 0.00 C ATOM 0 H VAL A 92 7.048 2.503 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 92 5.180 4.676 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 92 7.949 3.963 -3.312 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.402 6.249 -2.501 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.286 6.181 -4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.930 6.823 -3.319 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.122 4.670 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.577 5.154 -1.834 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.069 3.444 -1.841 1.00 0.00 H new ATOM 1403 N HIS A 93 5.692 6.323 -5.801 1.00 0.00 N ATOM 1404 CA HIS A 93 5.864 7.230 -6.924 1.00 0.00 C ATOM 1405 C HIS A 93 5.779 8.677 -6.433 1.00 0.00 C ATOM 1406 O HIS A 93 4.687 9.227 -6.297 1.00 0.00 O ATOM 1407 CB HIS A 93 4.856 6.920 -8.032 1.00 0.00 C ATOM 1408 CG HIS A 93 5.254 5.764 -8.918 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.327 5.822 -9.790 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.712 4.520 -9.058 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.417 4.661 -10.421 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.415 3.855 -9.966 1.00 0.00 N ATOM 0 H HIS A 93 4.930 6.567 -5.168 1.00 0.00 H new ATOM 0 HA HIS A 93 6.852 7.089 -7.362 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.889 6.701 -7.579 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.725 7.809 -8.649 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.855 4.140 -8.521 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.154 4.399 -11.165 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.236 2.899 -10.273 1.00 0.00 H new ATOM 1420 N GLU A 94 6.945 9.251 -6.179 1.00 0.00 N ATOM 1421 CA GLU A 94 7.016 10.623 -5.706 1.00 0.00 C ATOM 1422 C GLU A 94 6.063 11.511 -6.508 1.00 0.00 C ATOM 1423 O GLU A 94 5.933 11.352 -7.720 1.00 0.00 O ATOM 1424 CB GLU A 94 8.450 11.154 -5.776 1.00 0.00 C ATOM 1425 CG GLU A 94 8.965 11.525 -4.384 1.00 0.00 C ATOM 1426 CD GLU A 94 8.959 13.042 -4.183 1.00 0.00 C ATOM 1427 OE1 GLU A 94 8.021 13.680 -4.708 1.00 0.00 O ATOM 1428 OE2 GLU A 94 9.892 13.529 -3.510 1.00 0.00 O ATOM 0 H GLU A 94 7.849 8.791 -6.292 1.00 0.00 H new ATOM 0 HA GLU A 94 6.707 10.643 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.100 10.399 -6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.487 12.028 -6.426 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.343 11.052 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.977 11.141 -4.252 1.00 0.00 H new ATOM 1435 N GLY A 95 5.421 12.427 -5.798 1.00 0.00 N ATOM 1436 CA GLY A 95 4.483 13.341 -6.429 1.00 0.00 C ATOM 1437 C GLY A 95 5.211 14.544 -7.032 1.00 0.00 C ATOM 1438 O GLY A 95 5.850 14.427 -8.077 1.00 0.00 O ATOM 0 H GLY A 95 5.532 12.556 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 95 3.929 12.818 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.754 13.683 -5.695 1.00 0.00 H new ATOM 1442 N SER A 96 5.091 15.672 -6.347 1.00 0.00 N ATOM 1443 CA SER A 96 5.730 16.895 -6.803 1.00 0.00 C ATOM 1444 C SER A 96 5.619 17.008 -8.324 1.00 0.00 C ATOM 1445 O SER A 96 6.520 16.587 -9.049 1.00 0.00 O ATOM 1446 CB SER A 96 7.197 16.943 -6.372 1.00 0.00 C ATOM 1447 OG SER A 96 7.826 18.164 -6.753 1.00 0.00 O ATOM 0 H SER A 96 4.561 15.765 -5.480 1.00 0.00 H new ATOM 0 HA SER A 96 5.217 17.741 -6.345 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.261 16.824 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.733 16.105 -6.817 1.00 0.00 H new ATOM 0 HG SER A 96 8.761 18.156 -6.459 1.00 0.00 H new ATOM 1453 N GLY A 97 4.507 17.579 -8.764 1.00 0.00 N ATOM 1454 CA GLY A 97 4.267 17.753 -10.186 1.00 0.00 C ATOM 1455 C GLY A 97 5.022 18.970 -10.725 1.00 0.00 C ATOM 1456 O GLY A 97 5.807 19.586 -10.007 1.00 0.00 O ATOM 0 H GLY A 97 3.762 17.927 -8.160 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.581 16.858 -10.724 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.199 17.874 -10.366 1.00 0.00 H new ATOM 1460 N PRO A 98 4.750 19.288 -12.019 1.00 0.00 N ATOM 1461 CA PRO A 98 5.394 20.420 -12.663 1.00 0.00 C ATOM 1462 C PRO A 98 4.795 21.741 -12.176 1.00 0.00 C ATOM 1463 O PRO A 98 3.747 22.167 -12.659 1.00 0.00 O ATOM 1464 CB PRO A 98 5.196 20.191 -14.152 1.00 0.00 C ATOM 1465 CG PRO A 98 4.056 19.194 -14.273 1.00 0.00 C ATOM 1466 CD PRO A 98 3.826 18.581 -12.901 1.00 0.00 C ATOM 0 HA PRO A 98 6.455 20.493 -12.423 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.955 21.124 -14.662 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.105 19.803 -14.612 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.152 19.689 -14.626 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.301 18.420 -15.001 1.00 0.00 H new ATOM 0 HD2 PRO A 98 2.793 18.710 -12.578 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.026 17.510 -12.907 1.00 0.00 H new ATOM 1474 N SER A 99 5.486 22.353 -11.226 1.00 0.00 N ATOM 1475 CA SER A 99 5.035 23.617 -10.668 1.00 0.00 C ATOM 1476 C SER A 99 6.237 24.513 -10.364 1.00 0.00 C ATOM 1477 O SER A 99 6.907 24.337 -9.348 1.00 0.00 O ATOM 1478 CB SER A 99 4.205 23.396 -9.402 1.00 0.00 C ATOM 1479 OG SER A 99 3.859 24.625 -8.769 1.00 0.00 O ATOM 0 H SER A 99 6.355 21.997 -10.828 1.00 0.00 H new ATOM 0 HA SER A 99 4.400 24.109 -11.405 1.00 0.00 H new ATOM 0 HB2 SER A 99 3.296 22.850 -9.655 1.00 0.00 H new ATOM 0 HB3 SER A 99 4.766 22.774 -8.704 1.00 0.00 H new ATOM 0 HG SER A 99 3.328 24.441 -7.966 1.00 0.00 H new ATOM 1485 N SER A 100 6.475 25.456 -11.265 1.00 0.00 N ATOM 1486 CA SER A 100 7.585 26.380 -11.106 1.00 0.00 C ATOM 1487 C SER A 100 7.230 27.735 -11.721 1.00 0.00 C ATOM 1488 O SER A 100 6.766 27.802 -12.859 1.00 0.00 O ATOM 1489 CB SER A 100 8.860 25.825 -11.745 1.00 0.00 C ATOM 1490 OG SER A 100 8.698 25.589 -13.141 1.00 0.00 O ATOM 0 H SER A 100 5.918 25.600 -12.107 1.00 0.00 H new ATOM 0 HA SER A 100 7.772 26.510 -10.040 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.679 26.527 -11.589 1.00 0.00 H new ATOM 0 HB3 SER A 100 9.138 24.895 -11.250 1.00 0.00 H new ATOM 0 HG SER A 100 7.956 26.132 -13.481 1.00 0.00 H new ATOM 1496 N GLY A 101 7.460 28.781 -10.942 1.00 0.00 N ATOM 1497 CA GLY A 101 7.170 30.131 -11.396 1.00 0.00 C ATOM 1498 C GLY A 101 5.836 30.624 -10.832 1.00 0.00 C ATOM 1499 O GLY A 101 5.382 31.717 -11.168 1.00 0.00 O ATOM 0 H GLY A 101 7.844 28.722 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 101 7.971 30.803 -11.086 1.00 0.00 H new ATOM 0 HA3 GLY A 101 7.139 30.153 -12.485 1.00 0.00 H new TER 1503 GLY A 101