USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 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 99 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 18 ASN : amide:sc= -1.81! K(o=-4.7!,f=-3.3) USER MOD Set 2.2: A 87 GLN : amide:sc= -2.85! C(o=-4.7!,f=-8.5!) USER MOD Set 3.1: A 80 MET CE :methyl -126:sc= -2.65! (180deg=-2.06!) USER MOD Set 3.2: A 84 GLN : amide:sc= -2.49! K(o=-5.1!,f=-2.5) USER MOD Set 4.1: A 55 GLN : amide:sc= -2.63! K(o=-5.3!,f=0.61) USER MOD Set 4.2: A 69 ASN : amide:sc= -2.63! K(o=-5.3!,f=-0.28) USER MOD Set 5.1: A 20 THR OG1 : rot -160:sc= -1.22 USER MOD Set 5.2: A 89 GLN : amide:sc=-0.000958 K(o=-1.2,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0438 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HE2:sc= -0.289 K(o=-0.29,f=-1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.095) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= 0.0461 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.871 K(o=-0.87,f=-1.6) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -32:sc= 0.211 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00576 USER MOD Single : A 44 MET CE :methyl 170:sc= -0.0715 (180deg=-0.199) USER MOD Single : A 46 LYS NZ :NH3+ -149:sc= -0.276 (180deg=-1.11) USER MOD Single : A 48 SER OG : rot -156:sc= 1.46 USER MOD Single : A 52 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.6!) USER MOD Single : A 53 THR OG1 : rot -154:sc= 0.969 USER MOD Single : A 57 LYS NZ :NH3+ 162:sc= -0.0199 (180deg=-0.174) USER MOD Single : A 58 TYR OH : rot -36:sc= 0.885 USER MOD Single : A 63 ASN : amide:sc= -0.142 K(o=-0.14,f=-0.72) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.393 USER MOD Single : A 71 GLN : amide:sc= -0.349 K(o=-0.35,f=-3.8!) USER MOD Single : A 74 TYR OH : rot -120:sc= -0.135 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -2.23 K(o=-2.2,f=-6.3!) USER MOD Single : A 90 MET CE :methyl -146:sc= -0.0934 (180deg=-1.06) USER MOD Single : A 91 GLN : amide:sc= -0.435 K(o=-0.43,f=-1.1) USER MOD Single : A 93 HIS : no HD1:sc= 0.482 K(o=0.48,f=-1.8!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.267 -9.062 23.331 1.00 0.00 N ATOM 2 CA GLY A 1 -8.938 -8.263 22.319 1.00 0.00 C ATOM 3 C GLY A 1 -10.457 -8.418 22.417 1.00 0.00 C ATOM 4 O GLY A 1 -10.991 -8.664 23.497 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.565 -8.476 23.826 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.967 -9.416 24.014 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.789 -9.866 22.877 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.667 -7.214 22.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.601 -8.567 21.328 1.00 0.00 H new ATOM 8 N SER A 2 -11.109 -8.269 21.273 1.00 0.00 N ATOM 9 CA SER A 2 -12.556 -8.389 21.216 1.00 0.00 C ATOM 10 C SER A 2 -12.961 -9.282 20.041 1.00 0.00 C ATOM 11 O SER A 2 -12.378 -9.196 18.962 1.00 0.00 O ATOM 12 CB SER A 2 -13.219 -7.015 21.092 1.00 0.00 C ATOM 13 OG SER A 2 -14.639 -7.111 21.031 1.00 0.00 O ATOM 0 H SER A 2 -10.662 -8.066 20.379 1.00 0.00 H new ATOM 0 HA SER A 2 -12.898 -8.844 22.145 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.934 -6.397 21.943 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.851 -6.514 20.197 1.00 0.00 H new ATOM 0 HG SER A 2 -15.025 -6.213 20.954 1.00 0.00 H new ATOM 19 N SER A 3 -13.958 -10.118 20.292 1.00 0.00 N ATOM 20 CA SER A 3 -14.447 -11.026 19.268 1.00 0.00 C ATOM 21 C SER A 3 -15.655 -10.411 18.558 1.00 0.00 C ATOM 22 O SER A 3 -16.792 -10.817 18.795 1.00 0.00 O ATOM 23 CB SER A 3 -14.819 -12.384 19.868 1.00 0.00 C ATOM 24 OG SER A 3 -13.845 -13.382 19.574 1.00 0.00 O ATOM 0 H SER A 3 -14.440 -10.186 21.188 1.00 0.00 H new ATOM 0 HA SER A 3 -13.649 -11.186 18.543 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.924 -12.287 20.949 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.788 -12.698 19.481 1.00 0.00 H new ATOM 0 HG SER A 3 -14.118 -14.233 19.975 1.00 0.00 H new ATOM 30 N GLY A 4 -15.367 -9.443 17.701 1.00 0.00 N ATOM 31 CA GLY A 4 -16.416 -8.768 16.954 1.00 0.00 C ATOM 32 C GLY A 4 -16.420 -9.214 15.490 1.00 0.00 C ATOM 33 O GLY A 4 -16.400 -10.410 15.202 1.00 0.00 O ATOM 0 H GLY A 4 -14.423 -9.110 17.507 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.385 -8.982 17.406 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.270 -7.689 17.009 1.00 0.00 H new ATOM 37 N SER A 5 -16.447 -8.229 14.605 1.00 0.00 N ATOM 38 CA SER A 5 -16.454 -8.504 13.179 1.00 0.00 C ATOM 39 C SER A 5 -15.366 -9.523 12.837 1.00 0.00 C ATOM 40 O SER A 5 -15.652 -10.706 12.659 1.00 0.00 O ATOM 41 CB SER A 5 -16.254 -7.222 12.369 1.00 0.00 C ATOM 42 OG SER A 5 -17.365 -6.946 11.521 1.00 0.00 O ATOM 0 H SER A 5 -16.464 -7.239 14.848 1.00 0.00 H new ATOM 0 HA SER A 5 -17.427 -8.919 12.916 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.100 -6.384 13.049 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.351 -7.312 11.765 1.00 0.00 H new ATOM 0 HG SER A 5 -17.199 -6.119 11.023 1.00 0.00 H new ATOM 48 N SER A 6 -14.140 -9.028 12.755 1.00 0.00 N ATOM 49 CA SER A 6 -13.007 -9.880 12.438 1.00 0.00 C ATOM 50 C SER A 6 -12.994 -10.197 10.941 1.00 0.00 C ATOM 51 O SER A 6 -14.014 -10.587 10.376 1.00 0.00 O ATOM 52 CB SER A 6 -13.046 -11.174 13.254 1.00 0.00 C ATOM 53 OG SER A 6 -11.740 -11.625 13.602 1.00 0.00 O ATOM 0 H SER A 6 -13.906 -8.046 12.903 1.00 0.00 H new ATOM 0 HA SER A 6 -12.093 -9.346 12.698 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.628 -11.013 14.162 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.556 -11.948 12.681 1.00 0.00 H new ATOM 0 HG SER A 6 -11.808 -12.452 14.123 1.00 0.00 H new ATOM 59 N GLY A 7 -11.826 -10.018 10.341 1.00 0.00 N ATOM 60 CA GLY A 7 -11.666 -10.279 8.921 1.00 0.00 C ATOM 61 C GLY A 7 -10.226 -10.683 8.597 1.00 0.00 C ATOM 62 O GLY A 7 -9.479 -9.906 8.003 1.00 0.00 O ATOM 0 H GLY A 7 -10.981 -9.695 10.813 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.348 -11.072 8.614 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.935 -9.389 8.351 1.00 0.00 H new ATOM 66 N PRO A 8 -9.871 -11.929 9.010 1.00 0.00 N ATOM 67 CA PRO A 8 -8.534 -12.444 8.770 1.00 0.00 C ATOM 68 C PRO A 8 -8.356 -12.843 7.304 1.00 0.00 C ATOM 69 O PRO A 8 -7.236 -12.869 6.795 1.00 0.00 O ATOM 70 CB PRO A 8 -8.387 -13.617 9.726 1.00 0.00 C ATOM 71 CG PRO A 8 -9.800 -14.003 10.132 1.00 0.00 C ATOM 72 CD PRO A 8 -10.730 -12.876 9.716 1.00 0.00 C ATOM 0 HA PRO A 8 -7.758 -11.700 8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.877 -14.452 9.245 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.793 -13.339 10.596 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.093 -14.937 9.652 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.856 -14.167 11.208 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.531 -13.240 9.072 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.203 -12.413 10.582 1.00 0.00 H new ATOM 80 N HIS A 9 -9.477 -13.144 6.665 1.00 0.00 N ATOM 81 CA HIS A 9 -9.459 -13.541 5.267 1.00 0.00 C ATOM 82 C HIS A 9 -8.789 -14.909 5.130 1.00 0.00 C ATOM 83 O HIS A 9 -9.444 -15.895 4.795 1.00 0.00 O ATOM 84 CB HIS A 9 -8.793 -12.466 4.406 1.00 0.00 C ATOM 85 CG HIS A 9 -9.723 -11.808 3.415 1.00 0.00 C ATOM 86 ND1 HIS A 9 -10.572 -12.528 2.592 1.00 0.00 N ATOM 87 CD2 HIS A 9 -9.931 -10.492 3.125 1.00 0.00 C ATOM 88 CE1 HIS A 9 -11.253 -11.674 1.844 1.00 0.00 C ATOM 89 NE2 HIS A 9 -10.854 -10.412 2.175 1.00 0.00 N ATOM 0 H HIS A 9 -10.404 -13.121 7.090 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.481 -13.638 4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -8.374 -11.700 5.059 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -7.960 -12.914 3.864 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -10.658 -13.544 2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -9.429 -9.656 3.590 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.994 -11.931 1.102 1.00 0.00 H new ATOM 97 N SER A 10 -7.491 -14.926 5.397 1.00 0.00 N ATOM 98 CA SER A 10 -6.725 -16.157 5.308 1.00 0.00 C ATOM 99 C SER A 10 -5.270 -15.898 5.704 1.00 0.00 C ATOM 100 O SER A 10 -4.754 -14.800 5.502 1.00 0.00 O ATOM 101 CB SER A 10 -6.794 -16.748 3.898 1.00 0.00 C ATOM 102 OG SER A 10 -5.734 -16.279 3.070 1.00 0.00 O ATOM 0 H SER A 10 -6.951 -14.107 5.675 1.00 0.00 H new ATOM 0 HA SER A 10 -7.159 -16.881 5.998 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.753 -17.836 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.750 -16.490 3.443 1.00 0.00 H new ATOM 0 HG SER A 10 -5.812 -16.680 2.179 1.00 0.00 H new ATOM 108 N MET A 11 -4.649 -16.928 6.260 1.00 0.00 N ATOM 109 CA MET A 11 -3.264 -16.825 6.686 1.00 0.00 C ATOM 110 C MET A 11 -3.049 -15.589 7.562 1.00 0.00 C ATOM 111 O MET A 11 -1.970 -14.999 7.556 1.00 0.00 O ATOM 112 CB MET A 11 -2.356 -16.744 5.457 1.00 0.00 C ATOM 113 CG MET A 11 -1.656 -18.080 5.202 1.00 0.00 C ATOM 114 SD MET A 11 -0.732 -18.005 3.677 1.00 0.00 S ATOM 115 CE MET A 11 0.890 -17.624 4.316 1.00 0.00 C ATOM 0 H MET A 11 -5.080 -17.838 6.425 1.00 0.00 H new ATOM 0 HA MET A 11 -3.018 -17.710 7.273 1.00 0.00 H new ATOM 0 HB2 MET A 11 -2.945 -16.466 4.583 1.00 0.00 H new ATOM 0 HB3 MET A 11 -1.611 -15.961 5.602 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.987 -18.313 6.031 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.393 -18.882 5.151 1.00 0.00 H new ATOM 0 HE1 MET A 11 1.596 -17.541 3.490 1.00 0.00 H new ATOM 0 HE2 MET A 11 0.854 -16.680 4.859 1.00 0.00 H new ATOM 0 HE3 MET A 11 1.211 -18.418 4.990 1.00 0.00 H new ATOM 125 N GLU A 12 -4.095 -15.235 8.295 1.00 0.00 N ATOM 126 CA GLU A 12 -4.035 -14.079 9.174 1.00 0.00 C ATOM 127 C GLU A 12 -4.138 -12.787 8.361 1.00 0.00 C ATOM 128 O GLU A 12 -3.991 -12.805 7.140 1.00 0.00 O ATOM 129 CB GLU A 12 -2.757 -14.097 10.016 1.00 0.00 C ATOM 130 CG GLU A 12 -3.086 -14.118 11.510 1.00 0.00 C ATOM 131 CD GLU A 12 -2.868 -15.513 12.100 1.00 0.00 C ATOM 132 OE1 GLU A 12 -3.128 -16.488 11.362 1.00 0.00 O ATOM 133 OE2 GLU A 12 -2.447 -15.573 13.275 1.00 0.00 O ATOM 0 H GLU A 12 -4.988 -15.728 8.298 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.883 -14.123 9.858 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.160 -14.972 9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.153 -13.220 9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.460 -13.396 12.034 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -4.121 -13.812 11.662 1.00 0.00 H new ATOM 140 N PRO A 13 -4.396 -11.669 9.090 1.00 0.00 N ATOM 141 CA PRO A 13 -4.520 -10.370 8.450 1.00 0.00 C ATOM 142 C PRO A 13 -3.150 -9.828 8.039 1.00 0.00 C ATOM 143 O PRO A 13 -3.005 -9.246 6.965 1.00 0.00 O ATOM 144 CB PRO A 13 -5.223 -9.493 9.473 1.00 0.00 C ATOM 145 CG PRO A 13 -5.051 -10.193 10.811 1.00 0.00 C ATOM 146 CD PRO A 13 -4.575 -11.610 10.538 1.00 0.00 C ATOM 0 HA PRO A 13 -5.090 -10.411 7.522 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.787 -8.494 9.496 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -6.278 -9.375 9.227 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -4.329 -9.661 11.430 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.993 -10.206 11.359 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.643 -11.822 11.061 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.305 -12.345 10.877 1.00 0.00 H new ATOM 154 N GLN A 14 -2.178 -10.039 8.915 1.00 0.00 N ATOM 155 CA GLN A 14 -0.824 -9.579 8.657 1.00 0.00 C ATOM 156 C GLN A 14 -0.502 -9.688 7.165 1.00 0.00 C ATOM 157 O GLN A 14 -0.208 -10.774 6.668 1.00 0.00 O ATOM 158 CB GLN A 14 0.189 -10.359 9.496 1.00 0.00 C ATOM 159 CG GLN A 14 0.049 -10.020 10.981 1.00 0.00 C ATOM 160 CD GLN A 14 0.900 -10.958 11.840 1.00 0.00 C ATOM 161 OE1 GLN A 14 0.791 -12.171 11.776 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.751 -10.329 12.646 1.00 0.00 N ATOM 0 H GLN A 14 -2.302 -10.523 9.805 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.755 -8.531 8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.042 -11.429 9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.200 -10.127 9.160 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.354 -8.988 11.152 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.997 -10.097 11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 14 1.791 -9.310 12.650 1.00 0.00 H new ATOM 0 HE22 GLN A 14 2.363 -10.866 13.260 1.00 0.00 H new ATOM 171 N VAL A 15 -0.569 -8.549 6.493 1.00 0.00 N ATOM 172 CA VAL A 15 -0.288 -8.503 5.068 1.00 0.00 C ATOM 173 C VAL A 15 1.124 -7.955 4.848 1.00 0.00 C ATOM 174 O VAL A 15 1.600 -7.128 5.625 1.00 0.00 O ATOM 175 CB VAL A 15 -1.365 -7.688 4.348 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.846 -7.155 3.011 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.638 -8.514 4.153 1.00 0.00 C ATOM 0 H VAL A 15 -0.814 -7.650 6.909 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.318 -9.505 4.640 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.614 -6.832 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.630 -6.580 2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.019 -6.515 3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.556 -7.991 2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.387 -7.912 3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.411 -9.397 3.556 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.024 -8.822 5.125 1.00 0.00 H new ATOM 187 N THR A 16 1.753 -8.437 3.787 1.00 0.00 N ATOM 188 CA THR A 16 3.100 -8.006 3.455 1.00 0.00 C ATOM 189 C THR A 16 3.062 -6.919 2.378 1.00 0.00 C ATOM 190 O THR A 16 2.842 -7.211 1.204 1.00 0.00 O ATOM 191 CB THR A 16 3.904 -9.241 3.044 1.00 0.00 C ATOM 192 OG1 THR A 16 3.761 -10.131 4.147 1.00 0.00 O ATOM 193 CG2 THR A 16 5.408 -8.965 2.980 1.00 0.00 C ATOM 0 H THR A 16 1.354 -9.122 3.145 1.00 0.00 H new ATOM 0 HA THR A 16 3.593 -7.551 4.314 1.00 0.00 H new ATOM 0 HB THR A 16 3.558 -9.593 2.072 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.251 -10.960 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.932 -9.874 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.603 -8.179 2.250 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.761 -8.645 3.960 1.00 0.00 H new ATOM 201 N LEU A 17 3.280 -5.688 2.817 1.00 0.00 N ATOM 202 CA LEU A 17 3.274 -4.557 1.906 1.00 0.00 C ATOM 203 C LEU A 17 4.678 -4.364 1.329 1.00 0.00 C ATOM 204 O LEU A 17 5.546 -3.785 1.979 1.00 0.00 O ATOM 205 CB LEU A 17 2.719 -3.312 2.601 1.00 0.00 C ATOM 206 CG LEU A 17 1.237 -3.358 2.977 1.00 0.00 C ATOM 207 CD1 LEU A 17 0.813 -2.075 3.694 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.369 -3.642 1.749 1.00 0.00 C ATOM 0 H LEU A 17 3.462 -5.449 3.792 1.00 0.00 H new ATOM 0 HA LEU A 17 2.607 -4.749 1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.298 -3.138 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.882 -2.454 1.949 1.00 0.00 H new ATOM 0 HG LEU A 17 1.087 -4.181 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.245 -2.134 3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.401 -1.956 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.981 -1.220 3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.680 -3.670 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.518 -2.856 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.650 -4.603 1.319 1.00 0.00 H new ATOM 220 N ASN A 18 4.857 -4.862 0.114 1.00 0.00 N ATOM 221 CA ASN A 18 6.141 -4.752 -0.558 1.00 0.00 C ATOM 222 C ASN A 18 6.196 -3.432 -1.330 1.00 0.00 C ATOM 223 O ASN A 18 5.628 -3.319 -2.415 1.00 0.00 O ATOM 224 CB ASN A 18 6.338 -5.893 -1.558 1.00 0.00 C ATOM 225 CG ASN A 18 6.122 -7.252 -0.889 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.749 -7.593 0.099 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.200 -8.006 -1.482 1.00 0.00 N ATOM 0 H ASN A 18 4.135 -5.342 -0.422 1.00 0.00 H new ATOM 0 HA ASN A 18 6.923 -4.797 0.199 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.642 -5.778 -2.388 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.343 -5.845 -1.976 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.982 -8.931 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.711 -7.659 -2.307 1.00 0.00 H new ATOM 234 N VAL A 19 6.885 -2.467 -0.740 1.00 0.00 N ATOM 235 CA VAL A 19 7.022 -1.159 -1.358 1.00 0.00 C ATOM 236 C VAL A 19 8.324 -1.113 -2.161 1.00 0.00 C ATOM 237 O VAL A 19 9.389 -1.445 -1.643 1.00 0.00 O ATOM 238 CB VAL A 19 6.938 -0.065 -0.292 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.163 1.318 -0.907 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.602 -0.124 0.451 1.00 0.00 C ATOM 0 H VAL A 19 7.355 -2.565 0.160 1.00 0.00 H new ATOM 0 HA VAL A 19 6.204 -0.978 -2.055 1.00 0.00 H new ATOM 0 HB VAL A 19 7.732 -0.243 0.433 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.098 2.078 -0.128 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.150 1.355 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.402 1.508 -1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.569 0.664 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.785 0.015 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.499 -1.094 0.937 1.00 0.00 H new ATOM 250 N THR A 20 8.195 -0.700 -3.413 1.00 0.00 N ATOM 251 CA THR A 20 9.348 -0.606 -4.293 1.00 0.00 C ATOM 252 C THR A 20 9.555 0.839 -4.748 1.00 0.00 C ATOM 253 O THR A 20 8.909 1.296 -5.690 1.00 0.00 O ATOM 254 CB THR A 20 9.139 -1.584 -5.451 1.00 0.00 C ATOM 255 OG1 THR A 20 9.508 -2.849 -4.908 1.00 0.00 O ATOM 256 CG2 THR A 20 10.136 -1.363 -6.590 1.00 0.00 C ATOM 0 H THR A 20 7.310 -0.427 -3.839 1.00 0.00 H new ATOM 0 HA THR A 20 10.265 -0.885 -3.775 1.00 0.00 H new ATOM 0 HB THR A 20 8.123 -1.483 -5.833 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.710 -3.472 -5.637 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.944 -2.083 -7.386 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.024 -0.352 -6.980 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.151 -1.497 -6.216 1.00 0.00 H new ATOM 264 N PHE A 21 10.459 1.520 -4.059 1.00 0.00 N ATOM 265 CA PHE A 21 10.760 2.904 -4.381 1.00 0.00 C ATOM 266 C PHE A 21 11.933 2.998 -5.358 1.00 0.00 C ATOM 267 O PHE A 21 13.087 2.834 -4.965 1.00 0.00 O ATOM 268 CB PHE A 21 11.146 3.594 -3.071 1.00 0.00 C ATOM 269 CG PHE A 21 11.453 5.086 -3.220 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.868 5.804 -4.215 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.312 5.693 -2.358 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.153 7.188 -4.354 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.597 7.077 -2.497 1.00 0.00 C ATOM 274 CZ PHE A 21 12.012 7.795 -3.492 1.00 0.00 C ATOM 0 H PHE A 21 10.993 1.138 -3.278 1.00 0.00 H new ATOM 0 HA PHE A 21 9.895 3.373 -4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.334 3.470 -2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.019 3.094 -2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.186 5.322 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.777 5.122 -1.568 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.688 7.759 -5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.279 7.559 -1.812 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.229 8.848 -3.598 1.00 0.00 H new ATOM 284 N LYS A 22 11.598 3.261 -6.612 1.00 0.00 N ATOM 285 CA LYS A 22 12.610 3.378 -7.649 1.00 0.00 C ATOM 286 C LYS A 22 13.314 2.031 -7.822 1.00 0.00 C ATOM 287 O LYS A 22 12.853 1.177 -8.577 1.00 0.00 O ATOM 288 CB LYS A 22 13.562 4.535 -7.339 1.00 0.00 C ATOM 289 CG LYS A 22 13.014 5.856 -7.883 1.00 0.00 C ATOM 290 CD LYS A 22 13.998 7.001 -7.635 1.00 0.00 C ATOM 291 CE LYS A 22 13.927 7.480 -6.184 1.00 0.00 C ATOM 292 NZ LYS A 22 13.792 8.953 -6.130 1.00 0.00 N ATOM 0 H LYS A 22 10.640 3.397 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 22 12.149 3.622 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.706 4.613 -6.261 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.539 4.334 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.822 5.762 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.060 6.082 -7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.011 6.670 -7.863 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.774 7.830 -8.307 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.080 7.013 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.825 7.171 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.412 9.233 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 14.724 9.392 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.144 9.270 -6.880 1.00 0.00 H new ATOM 306 N ASN A 23 14.421 1.883 -7.109 1.00 0.00 N ATOM 307 CA ASN A 23 15.195 0.654 -7.174 1.00 0.00 C ATOM 308 C ASN A 23 15.242 0.012 -5.786 1.00 0.00 C ATOM 309 O ASN A 23 15.772 -1.086 -5.624 1.00 0.00 O ATOM 310 CB ASN A 23 16.633 0.931 -7.616 1.00 0.00 C ATOM 311 CG ASN A 23 17.512 -0.307 -7.430 1.00 0.00 C ATOM 312 OD1 ASN A 23 17.142 -1.419 -7.769 1.00 0.00 O ATOM 313 ND2 ASN A 23 18.693 -0.053 -6.875 1.00 0.00 N ATOM 0 H ASN A 23 14.801 2.594 -6.483 1.00 0.00 H new ATOM 0 HA ASN A 23 14.717 -0.007 -7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.643 1.235 -8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.041 1.761 -7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.353 -0.813 -6.709 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.939 0.902 -6.615 1.00 0.00 H new ATOM 320 N GLU A 24 14.681 0.724 -4.820 1.00 0.00 N ATOM 321 CA GLU A 24 14.653 0.238 -3.451 1.00 0.00 C ATOM 322 C GLU A 24 13.409 -0.623 -3.220 1.00 0.00 C ATOM 323 O GLU A 24 12.361 -0.379 -3.816 1.00 0.00 O ATOM 324 CB GLU A 24 14.710 1.398 -2.456 1.00 0.00 C ATOM 325 CG GLU A 24 16.124 1.973 -2.365 1.00 0.00 C ATOM 326 CD GLU A 24 16.651 2.355 -3.750 1.00 0.00 C ATOM 327 OE1 GLU A 24 16.000 3.209 -4.389 1.00 0.00 O ATOM 328 OE2 GLU A 24 17.694 1.784 -4.137 1.00 0.00 O ATOM 0 H GLU A 24 14.242 1.634 -4.958 1.00 0.00 H new ATOM 0 HA GLU A 24 15.535 -0.381 -3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.015 2.179 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.389 1.054 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.123 2.850 -1.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.790 1.241 -1.908 1.00 0.00 H new ATOM 335 N ILE A 25 13.566 -1.612 -2.352 1.00 0.00 N ATOM 336 CA ILE A 25 12.469 -2.510 -2.035 1.00 0.00 C ATOM 337 C ILE A 25 12.354 -2.650 -0.515 1.00 0.00 C ATOM 338 O ILE A 25 13.355 -2.851 0.171 1.00 0.00 O ATOM 339 CB ILE A 25 12.641 -3.845 -2.764 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.479 -3.668 -4.275 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.687 -4.902 -2.205 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.373 -4.647 -5.040 1.00 0.00 C ATOM 0 H ILE A 25 14.436 -1.811 -1.859 1.00 0.00 H new ATOM 0 HA ILE A 25 11.525 -2.098 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 25 13.656 -4.203 -2.588 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.437 -3.827 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.731 -2.645 -4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.830 -5.841 -2.740 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.893 -5.054 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.658 -4.566 -2.330 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.239 -4.501 -6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.416 -4.469 -4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.102 -5.669 -4.777 1.00 0.00 H new ATOM 354 N GLN A 26 11.125 -2.539 -0.034 1.00 0.00 N ATOM 355 CA GLN A 26 10.866 -2.650 1.391 1.00 0.00 C ATOM 356 C GLN A 26 9.609 -3.488 1.638 1.00 0.00 C ATOM 357 O GLN A 26 8.848 -3.760 0.711 1.00 0.00 O ATOM 358 CB GLN A 26 10.740 -1.269 2.035 1.00 0.00 C ATOM 359 CG GLN A 26 12.084 -0.799 2.594 1.00 0.00 C ATOM 360 CD GLN A 26 11.974 -0.474 4.085 1.00 0.00 C ATOM 361 OE1 GLN A 26 12.156 -1.319 4.946 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.668 0.795 4.341 1.00 0.00 N ATOM 0 H GLN A 26 10.297 -2.373 -0.606 1.00 0.00 H new ATOM 0 HA GLN A 26 11.713 -3.155 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.378 -0.552 1.298 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.001 -1.303 2.836 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.836 -1.573 2.441 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.420 0.084 2.050 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.529 1.451 3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 26 11.573 1.112 5.306 1.00 0.00 H new ATOM 371 N SER A 27 9.431 -3.873 2.893 1.00 0.00 N ATOM 372 CA SER A 27 8.280 -4.674 3.274 1.00 0.00 C ATOM 373 C SER A 27 7.745 -4.209 4.630 1.00 0.00 C ATOM 374 O SER A 27 8.507 -4.058 5.584 1.00 0.00 O ATOM 375 CB SER A 27 8.636 -6.161 3.326 1.00 0.00 C ATOM 376 OG SER A 27 7.917 -6.847 4.347 1.00 0.00 O ATOM 0 H SER A 27 10.065 -3.645 3.659 1.00 0.00 H new ATOM 0 HA SER A 27 7.505 -4.540 2.519 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.421 -6.619 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.706 -6.272 3.500 1.00 0.00 H new ATOM 0 HG SER A 27 8.171 -7.793 4.347 1.00 0.00 H new ATOM 382 N PHE A 28 6.438 -3.995 4.672 1.00 0.00 N ATOM 383 CA PHE A 28 5.792 -3.550 5.895 1.00 0.00 C ATOM 384 C PHE A 28 4.596 -4.440 6.238 1.00 0.00 C ATOM 385 O PHE A 28 3.595 -4.445 5.523 1.00 0.00 O ATOM 386 CB PHE A 28 5.296 -2.124 5.646 1.00 0.00 C ATOM 387 CG PHE A 28 6.388 -1.158 5.183 1.00 0.00 C ATOM 388 CD1 PHE A 28 7.314 -0.703 6.069 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.433 -0.754 3.885 1.00 0.00 C ATOM 390 CE1 PHE A 28 8.328 0.194 5.639 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.446 0.143 3.455 1.00 0.00 C ATOM 392 CZ PHE A 28 8.373 0.598 4.341 1.00 0.00 C ATOM 0 H PHE A 28 5.809 -4.122 3.879 1.00 0.00 H new ATOM 0 HA PHE A 28 6.496 -3.597 6.726 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.506 -2.151 4.895 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.850 -1.740 6.564 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.278 -1.024 7.100 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.698 -1.116 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 28 9.063 0.555 6.343 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.481 0.464 2.424 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.144 1.280 4.014 1.00 0.00 H new ATOM 402 N LEU A 29 4.738 -5.172 7.333 1.00 0.00 N ATOM 403 CA LEU A 29 3.682 -6.065 7.780 1.00 0.00 C ATOM 404 C LEU A 29 2.548 -5.239 8.391 1.00 0.00 C ATOM 405 O LEU A 29 2.795 -4.301 9.146 1.00 0.00 O ATOM 406 CB LEU A 29 4.244 -7.130 8.723 1.00 0.00 C ATOM 407 CG LEU A 29 3.363 -8.361 8.946 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.467 -9.330 7.766 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.696 -9.040 10.276 1.00 0.00 C ATOM 0 H LEU A 29 5.569 -5.165 7.924 1.00 0.00 H new ATOM 0 HA LEU A 29 3.261 -6.611 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.206 -7.462 8.332 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.436 -6.665 9.690 1.00 0.00 H new ATOM 0 HG LEU A 29 2.325 -8.033 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.831 -10.196 7.949 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.143 -8.829 6.854 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.501 -9.656 7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.056 -9.912 10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.740 -9.354 10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.530 -8.339 11.094 1.00 0.00 H new ATOM 421 N VAL A 30 1.328 -5.620 8.041 1.00 0.00 N ATOM 422 CA VAL A 30 0.154 -4.926 8.545 1.00 0.00 C ATOM 423 C VAL A 30 -0.765 -5.931 9.243 1.00 0.00 C ATOM 424 O VAL A 30 -1.626 -6.536 8.605 1.00 0.00 O ATOM 425 CB VAL A 30 -0.537 -4.172 7.407 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.425 -3.052 7.952 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.486 -3.626 6.410 1.00 0.00 C ATOM 0 H VAL A 30 1.127 -6.400 7.415 1.00 0.00 H new ATOM 0 HA VAL A 30 0.439 -4.178 9.285 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.176 -4.878 6.877 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.904 -2.532 7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.188 -3.477 8.604 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.816 -2.348 8.519 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.032 -3.095 5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.163 -2.942 6.921 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.057 -4.452 5.985 1.00 0.00 H new ATOM 437 N SER A 31 -0.553 -6.076 10.542 1.00 0.00 N ATOM 438 CA SER A 31 -1.352 -6.996 11.333 1.00 0.00 C ATOM 439 C SER A 31 -2.794 -6.493 11.423 1.00 0.00 C ATOM 440 O SER A 31 -3.674 -7.203 11.906 1.00 0.00 O ATOM 441 CB SER A 31 -0.763 -7.173 12.734 1.00 0.00 C ATOM 442 OG SER A 31 -1.446 -8.180 13.477 1.00 0.00 O ATOM 0 H SER A 31 0.161 -5.571 11.067 1.00 0.00 H new ATOM 0 HA SER A 31 -1.343 -7.968 10.839 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.292 -7.435 12.653 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.816 -6.227 13.272 1.00 0.00 H new ATOM 0 HG SER A 31 -2.390 -8.195 13.216 1.00 0.00 H new ATOM 448 N ASP A 32 -2.991 -5.271 10.950 1.00 0.00 N ATOM 449 CA ASP A 32 -4.311 -4.664 10.972 1.00 0.00 C ATOM 450 C ASP A 32 -4.503 -3.827 9.706 1.00 0.00 C ATOM 451 O ASP A 32 -4.506 -2.598 9.764 1.00 0.00 O ATOM 452 CB ASP A 32 -4.473 -3.739 12.179 1.00 0.00 C ATOM 453 CG ASP A 32 -3.564 -2.508 12.177 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.350 -2.699 11.952 1.00 0.00 O ATOM 455 OD2 ASP A 32 -4.105 -1.403 12.401 1.00 0.00 O ATOM 0 H ASP A 32 -2.259 -4.685 10.549 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.049 -5.464 11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.510 -3.406 12.226 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.281 -4.313 13.086 1.00 0.00 H new ATOM 460 N PRO A 33 -4.662 -4.544 8.561 1.00 0.00 N ATOM 461 CA PRO A 33 -4.855 -3.880 7.283 1.00 0.00 C ATOM 462 C PRO A 33 -6.271 -3.314 7.167 1.00 0.00 C ATOM 463 O PRO A 33 -6.527 -2.435 6.345 1.00 0.00 O ATOM 464 CB PRO A 33 -4.552 -4.942 6.238 1.00 0.00 C ATOM 465 CG PRO A 33 -4.655 -6.276 6.959 1.00 0.00 C ATOM 466 CD PRO A 33 -4.664 -6.000 8.454 1.00 0.00 C ATOM 0 HA PRO A 33 -4.202 -3.017 7.155 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.260 -4.889 5.411 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.557 -4.802 5.816 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.563 -6.801 6.662 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.815 -6.918 6.695 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.544 -6.431 8.931 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.792 -6.434 8.942 1.00 0.00 H new ATOM 474 N GLU A 34 -7.155 -3.841 8.001 1.00 0.00 N ATOM 475 CA GLU A 34 -8.539 -3.399 8.002 1.00 0.00 C ATOM 476 C GLU A 34 -8.746 -2.303 9.051 1.00 0.00 C ATOM 477 O GLU A 34 -9.521 -1.373 8.837 1.00 0.00 O ATOM 478 CB GLU A 34 -9.490 -4.573 8.242 1.00 0.00 C ATOM 479 CG GLU A 34 -9.829 -5.281 6.929 1.00 0.00 C ATOM 480 CD GLU A 34 -11.320 -5.617 6.856 1.00 0.00 C ATOM 481 OE1 GLU A 34 -12.119 -4.739 7.250 1.00 0.00 O ATOM 482 OE2 GLU A 34 -11.627 -6.742 6.409 1.00 0.00 O ATOM 0 H GLU A 34 -6.940 -4.570 8.681 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.767 -2.984 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.033 -5.281 8.933 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.405 -4.214 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.554 -4.645 6.087 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.242 -6.195 6.843 1.00 0.00 H new ATOM 489 N ASN A 35 -8.038 -2.450 10.161 1.00 0.00 N ATOM 490 CA ASN A 35 -8.135 -1.485 11.243 1.00 0.00 C ATOM 491 C ASN A 35 -7.399 -0.204 10.845 1.00 0.00 C ATOM 492 O ASN A 35 -7.969 0.885 10.896 1.00 0.00 O ATOM 493 CB ASN A 35 -7.488 -2.024 12.521 1.00 0.00 C ATOM 494 CG ASN A 35 -8.259 -1.566 13.760 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.035 -0.497 14.303 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.178 -2.433 14.176 1.00 0.00 N ATOM 0 H ASN A 35 -7.395 -3.223 10.335 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.191 -1.290 11.428 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.460 -3.113 12.487 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.455 -1.680 12.583 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.746 -2.220 14.996 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.315 -3.311 13.675 1.00 0.00 H new ATOM 503 N THR A 36 -6.144 -0.377 10.456 1.00 0.00 N ATOM 504 CA THR A 36 -5.324 0.752 10.049 1.00 0.00 C ATOM 505 C THR A 36 -5.990 1.506 8.897 1.00 0.00 C ATOM 506 O THR A 36 -6.950 1.017 8.302 1.00 0.00 O ATOM 507 CB THR A 36 -3.930 0.224 9.705 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.076 1.348 9.898 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.780 -0.107 8.219 1.00 0.00 C ATOM 0 H THR A 36 -5.675 -1.282 10.414 1.00 0.00 H new ATOM 0 HA THR A 36 -5.222 1.478 10.855 1.00 0.00 H new ATOM 0 HB THR A 36 -3.723 -0.667 10.298 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.151 1.094 9.698 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.773 -0.477 8.029 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.506 -0.871 7.941 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.954 0.791 7.627 1.00 0.00 H new ATOM 517 N THR A 37 -5.455 2.685 8.616 1.00 0.00 N ATOM 518 CA THR A 37 -5.985 3.512 7.545 1.00 0.00 C ATOM 519 C THR A 37 -4.908 3.775 6.491 1.00 0.00 C ATOM 520 O THR A 37 -3.717 3.749 6.796 1.00 0.00 O ATOM 521 CB THR A 37 -6.549 4.790 8.170 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.393 5.531 8.549 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.272 4.526 9.492 1.00 0.00 C ATOM 0 H THR A 37 -4.660 3.088 9.112 1.00 0.00 H new ATOM 0 HA THR A 37 -6.794 3.006 7.018 1.00 0.00 H new ATOM 0 HB THR A 37 -7.236 5.264 7.469 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.667 6.377 8.962 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.653 5.466 9.893 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.103 3.841 9.322 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.577 4.083 10.205 1.00 0.00 H new ATOM 531 N TRP A 38 -5.366 4.023 5.273 1.00 0.00 N ATOM 532 CA TRP A 38 -4.456 4.291 4.172 1.00 0.00 C ATOM 533 C TRP A 38 -3.553 5.457 4.577 1.00 0.00 C ATOM 534 O TRP A 38 -2.357 5.450 4.292 1.00 0.00 O ATOM 535 CB TRP A 38 -5.226 4.553 2.876 1.00 0.00 C ATOM 536 CG TRP A 38 -4.365 5.117 1.744 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.556 6.244 1.045 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.162 4.530 1.204 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.568 6.426 0.099 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.693 5.350 0.199 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.491 3.344 1.555 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.536 5.074 -0.539 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.336 3.083 0.808 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.851 3.899 -0.207 1.00 0.00 C ATOM 0 H TRP A 38 -6.355 4.044 5.024 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.831 3.422 3.969 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.682 3.621 2.542 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -6.038 5.250 3.083 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.380 6.925 1.202 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.493 7.206 -0.554 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.839 2.687 2.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.190 5.732 -1.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.783 2.184 1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.050 3.628 -0.737 1.00 0.00 H new ATOM 555 N ALA A 39 -4.161 6.433 5.236 1.00 0.00 N ATOM 556 CA ALA A 39 -3.427 7.604 5.684 1.00 0.00 C ATOM 557 C ALA A 39 -2.221 7.159 6.513 1.00 0.00 C ATOM 558 O ALA A 39 -1.143 7.744 6.412 1.00 0.00 O ATOM 559 CB ALA A 39 -4.365 8.526 6.467 1.00 0.00 C ATOM 0 H ALA A 39 -5.154 6.437 5.470 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.050 8.170 4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.814 9.405 6.803 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.189 8.838 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.761 7.993 7.332 1.00 0.00 H new ATOM 565 N ASP A 40 -2.443 6.128 7.315 1.00 0.00 N ATOM 566 CA ASP A 40 -1.387 5.597 8.161 1.00 0.00 C ATOM 567 C ASP A 40 -0.316 4.946 7.285 1.00 0.00 C ATOM 568 O ASP A 40 0.876 5.065 7.563 1.00 0.00 O ATOM 569 CB ASP A 40 -1.930 4.531 9.115 1.00 0.00 C ATOM 570 CG ASP A 40 -1.972 4.943 10.588 1.00 0.00 C ATOM 571 OD1 ASP A 40 -0.886 4.955 11.206 1.00 0.00 O ATOM 572 OD2 ASP A 40 -3.090 5.237 11.063 1.00 0.00 O ATOM 0 H ASP A 40 -3.338 5.646 7.397 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.972 6.422 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.938 4.262 8.800 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.317 3.635 9.021 1.00 0.00 H new ATOM 577 N ILE A 41 -0.779 4.271 6.243 1.00 0.00 N ATOM 578 CA ILE A 41 0.125 3.600 5.324 1.00 0.00 C ATOM 579 C ILE A 41 0.928 4.648 4.549 1.00 0.00 C ATOM 580 O ILE A 41 2.156 4.671 4.619 1.00 0.00 O ATOM 581 CB ILE A 41 -0.645 2.629 4.427 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.519 1.689 5.260 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.305 1.862 3.505 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.663 0.677 6.023 1.00 0.00 C ATOM 0 H ILE A 41 -1.768 4.174 6.015 1.00 0.00 H new ATOM 0 HA ILE A 41 0.842 2.990 5.873 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.312 3.209 3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.116 2.270 5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.217 1.163 4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.269 1.179 2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.846 2.566 2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.015 1.294 4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.309 0.021 6.607 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.086 0.082 5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.017 1.206 6.691 1.00 0.00 H new ATOM 596 N GLU A 42 0.201 5.489 3.829 1.00 0.00 N ATOM 597 CA GLU A 42 0.830 6.537 3.042 1.00 0.00 C ATOM 598 C GLU A 42 2.016 7.133 3.803 1.00 0.00 C ATOM 599 O GLU A 42 3.162 7.005 3.374 1.00 0.00 O ATOM 600 CB GLU A 42 -0.181 7.621 2.666 1.00 0.00 C ATOM 601 CG GLU A 42 0.347 8.489 1.521 1.00 0.00 C ATOM 602 CD GLU A 42 -0.796 8.968 0.624 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.846 9.338 1.192 1.00 0.00 O ATOM 604 OE2 GLU A 42 -0.594 8.953 -0.609 1.00 0.00 O ATOM 0 H GLU A 42 -0.817 5.467 3.774 1.00 0.00 H new ATOM 0 HA GLU A 42 1.202 6.097 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.123 7.159 2.372 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.390 8.246 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.880 9.349 1.927 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.064 7.920 0.929 1.00 0.00 H new ATOM 611 N ALA A 43 1.700 7.771 4.921 1.00 0.00 N ATOM 612 CA ALA A 43 2.726 8.387 5.746 1.00 0.00 C ATOM 613 C ALA A 43 3.853 7.382 5.986 1.00 0.00 C ATOM 614 O ALA A 43 5.013 7.660 5.685 1.00 0.00 O ATOM 615 CB ALA A 43 2.100 8.886 7.050 1.00 0.00 C ATOM 0 H ALA A 43 0.749 7.875 5.275 1.00 0.00 H new ATOM 0 HA ALA A 43 3.158 9.251 5.241 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.869 9.348 7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.326 9.620 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.658 8.046 7.586 1.00 0.00 H new ATOM 621 N MET A 44 3.473 6.233 6.527 1.00 0.00 N ATOM 622 CA MET A 44 4.438 5.185 6.812 1.00 0.00 C ATOM 623 C MET A 44 5.434 5.029 5.661 1.00 0.00 C ATOM 624 O MET A 44 6.639 5.178 5.854 1.00 0.00 O ATOM 625 CB MET A 44 3.703 3.861 7.034 1.00 0.00 C ATOM 626 CG MET A 44 4.604 2.845 7.739 1.00 0.00 C ATOM 627 SD MET A 44 3.614 1.541 8.449 1.00 0.00 S ATOM 628 CE MET A 44 3.034 0.746 6.959 1.00 0.00 C ATOM 0 H MET A 44 2.510 6.005 6.775 1.00 0.00 H new ATOM 0 HA MET A 44 4.990 5.460 7.711 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.807 4.034 7.631 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.375 3.458 6.076 1.00 0.00 H new ATOM 0 HG2 MET A 44 5.318 2.426 7.030 1.00 0.00 H new ATOM 0 HG3 MET A 44 5.183 3.339 8.519 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.546 -0.195 7.215 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.322 1.398 6.452 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.879 0.549 6.299 1.00 0.00 H new ATOM 638 N VAL A 45 4.893 4.730 4.489 1.00 0.00 N ATOM 639 CA VAL A 45 5.719 4.552 3.307 1.00 0.00 C ATOM 640 C VAL A 45 6.553 5.813 3.079 1.00 0.00 C ATOM 641 O VAL A 45 7.739 5.728 2.762 1.00 0.00 O ATOM 642 CB VAL A 45 4.843 4.189 2.106 1.00 0.00 C ATOM 643 CG1 VAL A 45 5.685 4.040 0.838 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.035 2.919 2.381 1.00 0.00 C ATOM 0 H VAL A 45 3.893 4.607 4.333 1.00 0.00 H new ATOM 0 HA VAL A 45 6.414 3.724 3.448 1.00 0.00 H new ATOM 0 HB VAL A 45 4.139 5.006 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.038 3.782 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.194 4.980 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.424 3.252 0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.421 2.683 1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.715 2.091 2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.392 3.077 3.247 1.00 0.00 H new ATOM 654 N LYS A 46 5.902 6.954 3.249 1.00 0.00 N ATOM 655 CA LYS A 46 6.569 8.232 3.065 1.00 0.00 C ATOM 656 C LYS A 46 7.749 8.330 4.034 1.00 0.00 C ATOM 657 O LYS A 46 8.905 8.284 3.617 1.00 0.00 O ATOM 658 CB LYS A 46 5.569 9.382 3.196 1.00 0.00 C ATOM 659 CG LYS A 46 4.556 9.361 2.050 1.00 0.00 C ATOM 660 CD LYS A 46 3.450 10.394 2.276 1.00 0.00 C ATOM 661 CE LYS A 46 4.035 11.729 2.744 1.00 0.00 C ATOM 662 NZ LYS A 46 3.986 11.826 4.220 1.00 0.00 N ATOM 0 H LYS A 46 4.919 7.020 3.512 1.00 0.00 H new ATOM 0 HA LYS A 46 6.976 8.308 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.046 9.307 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.101 10.333 3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.064 9.567 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.118 8.367 1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.891 10.542 1.352 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.745 10.021 3.019 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.066 11.822 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.476 12.553 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.870 12.821 4.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.183 11.270 4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.871 11.455 4.622 1.00 0.00 H new ATOM 676 N VAL A 47 7.417 8.462 5.310 1.00 0.00 N ATOM 677 CA VAL A 47 8.435 8.567 6.341 1.00 0.00 C ATOM 678 C VAL A 47 9.429 7.414 6.190 1.00 0.00 C ATOM 679 O VAL A 47 10.631 7.598 6.375 1.00 0.00 O ATOM 680 CB VAL A 47 7.777 8.611 7.723 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.843 9.816 7.846 1.00 0.00 C ATOM 682 CG2 VAL A 47 7.034 7.307 8.018 1.00 0.00 C ATOM 0 H VAL A 47 6.457 8.499 5.653 1.00 0.00 H new ATOM 0 HA VAL A 47 8.995 9.496 6.231 1.00 0.00 H new ATOM 0 HB VAL A 47 8.566 8.722 8.467 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.388 9.824 8.837 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.412 10.734 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.062 9.750 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.576 7.365 9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.259 7.152 7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.737 6.474 7.992 1.00 0.00 H new ATOM 692 N SER A 48 8.891 6.251 5.854 1.00 0.00 N ATOM 693 CA SER A 48 9.716 5.068 5.675 1.00 0.00 C ATOM 694 C SER A 48 10.896 5.388 4.754 1.00 0.00 C ATOM 695 O SER A 48 12.011 4.922 4.984 1.00 0.00 O ATOM 696 CB SER A 48 8.898 3.907 5.106 1.00 0.00 C ATOM 697 OG SER A 48 8.234 3.170 6.129 1.00 0.00 O ATOM 0 H SER A 48 7.894 6.102 5.701 1.00 0.00 H new ATOM 0 HA SER A 48 10.096 4.765 6.651 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.162 4.293 4.401 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.555 3.240 4.547 1.00 0.00 H new ATOM 0 HG SER A 48 8.048 2.262 5.810 1.00 0.00 H new ATOM 703 N PHE A 49 10.609 6.179 3.731 1.00 0.00 N ATOM 704 CA PHE A 49 11.633 6.566 2.775 1.00 0.00 C ATOM 705 C PHE A 49 11.908 8.070 2.845 1.00 0.00 C ATOM 706 O PHE A 49 12.614 8.615 1.998 1.00 0.00 O ATOM 707 CB PHE A 49 11.098 6.223 1.384 1.00 0.00 C ATOM 708 CG PHE A 49 11.122 4.727 1.060 1.00 0.00 C ATOM 709 CD1 PHE A 49 12.248 4.159 0.551 1.00 0.00 C ATOM 710 CD2 PHE A 49 10.016 3.966 1.280 1.00 0.00 C ATOM 711 CE1 PHE A 49 12.270 2.772 0.251 1.00 0.00 C ATOM 712 CE2 PHE A 49 10.038 2.579 0.979 1.00 0.00 C ATOM 713 CZ PHE A 49 11.165 2.011 0.471 1.00 0.00 C ATOM 0 H PHE A 49 9.683 6.562 3.543 1.00 0.00 H new ATOM 0 HA PHE A 49 12.564 6.042 2.994 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.074 6.586 1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 49 11.687 6.756 0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 49 13.126 4.763 0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 49 9.122 4.417 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 49 13.165 2.321 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.160 1.975 1.153 1.00 0.00 H new ATOM 0 HZ PHE A 49 11.182 0.956 0.242 1.00 0.00 H new ATOM 723 N ASP A 50 11.338 8.696 3.864 1.00 0.00 N ATOM 724 CA ASP A 50 11.513 10.126 4.056 1.00 0.00 C ATOM 725 C ASP A 50 11.119 10.861 2.773 1.00 0.00 C ATOM 726 O ASP A 50 11.979 11.212 1.966 1.00 0.00 O ATOM 727 CB ASP A 50 12.972 10.465 4.366 1.00 0.00 C ATOM 728 CG ASP A 50 13.260 10.806 5.830 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.426 10.419 6.677 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.307 11.445 6.068 1.00 0.00 O ATOM 0 H ASP A 50 10.755 8.240 4.565 1.00 0.00 H new ATOM 0 HA ASP A 50 10.885 10.433 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.595 9.619 4.076 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.273 11.310 3.746 1.00 0.00 H new ATOM 735 N LEU A 51 9.820 11.071 2.624 1.00 0.00 N ATOM 736 CA LEU A 51 9.302 11.757 1.453 1.00 0.00 C ATOM 737 C LEU A 51 8.194 12.721 1.880 1.00 0.00 C ATOM 738 O LEU A 51 7.502 12.479 2.868 1.00 0.00 O ATOM 739 CB LEU A 51 8.863 10.748 0.390 1.00 0.00 C ATOM 740 CG LEU A 51 9.935 9.766 -0.087 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.316 8.633 -0.907 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.040 10.493 -0.856 1.00 0.00 C ATOM 0 H LEU A 51 9.110 10.778 3.295 1.00 0.00 H new ATOM 0 HA LEU A 51 10.084 12.356 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.024 10.175 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.493 11.299 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 51 10.397 9.312 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.100 7.950 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.595 8.092 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.811 9.049 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.789 9.773 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.611 10.992 -1.725 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.508 11.233 -0.207 1.00 0.00 H new ATOM 754 N ASN A 52 8.059 13.795 1.115 1.00 0.00 N ATOM 755 CA ASN A 52 7.047 14.797 1.403 1.00 0.00 C ATOM 756 C ASN A 52 5.755 14.435 0.667 1.00 0.00 C ATOM 757 O ASN A 52 4.663 14.576 1.216 1.00 0.00 O ATOM 758 CB ASN A 52 7.491 16.181 0.927 1.00 0.00 C ATOM 759 CG ASN A 52 7.676 17.134 2.109 1.00 0.00 C ATOM 760 OD1 ASN A 52 7.882 16.728 3.241 1.00 0.00 O ATOM 761 ND2 ASN A 52 7.590 18.421 1.785 1.00 0.00 N ATOM 0 H ASN A 52 8.634 13.993 0.296 1.00 0.00 H new ATOM 0 HA ASN A 52 6.892 14.820 2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.426 16.096 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 52 6.750 16.588 0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.698 19.136 2.504 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.416 18.693 0.817 1.00 0.00 H new ATOM 768 N THR A 53 5.921 13.977 -0.565 1.00 0.00 N ATOM 769 CA THR A 53 4.782 13.594 -1.381 1.00 0.00 C ATOM 770 C THR A 53 5.119 12.361 -2.222 1.00 0.00 C ATOM 771 O THR A 53 6.122 12.345 -2.933 1.00 0.00 O ATOM 772 CB THR A 53 4.372 14.807 -2.219 1.00 0.00 C ATOM 773 OG1 THR A 53 5.610 15.409 -2.588 1.00 0.00 O ATOM 774 CG2 THR A 53 3.669 15.882 -1.387 1.00 0.00 C ATOM 0 H THR A 53 6.828 13.863 -1.018 1.00 0.00 H new ATOM 0 HA THR A 53 3.932 13.305 -0.763 1.00 0.00 H new ATOM 0 HB THR A 53 3.715 14.485 -3.027 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.472 16.365 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.399 16.720 -2.029 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.768 15.464 -0.939 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.339 16.229 -0.600 1.00 0.00 H new ATOM 782 N ILE A 54 4.260 11.358 -2.114 1.00 0.00 N ATOM 783 CA ILE A 54 4.454 10.123 -2.855 1.00 0.00 C ATOM 784 C ILE A 54 3.116 9.671 -3.442 1.00 0.00 C ATOM 785 O ILE A 54 2.059 10.137 -3.020 1.00 0.00 O ATOM 786 CB ILE A 54 5.127 9.069 -1.974 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.114 8.411 -1.035 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.311 9.667 -1.211 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.789 7.362 -0.149 1.00 0.00 C ATOM 0 H ILE A 54 3.428 11.375 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 54 5.132 10.284 -3.693 1.00 0.00 H new ATOM 0 HB ILE A 54 5.523 8.286 -2.621 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.644 9.171 -0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.322 7.943 -1.619 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.772 8.897 -0.592 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.045 10.050 -1.920 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.961 10.481 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.047 6.910 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.237 6.591 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.564 7.838 0.452 1.00 0.00 H new ATOM 801 N GLN A 55 3.205 8.767 -4.407 1.00 0.00 N ATOM 802 CA GLN A 55 2.014 8.247 -5.057 1.00 0.00 C ATOM 803 C GLN A 55 2.105 6.725 -5.193 1.00 0.00 C ATOM 804 O GLN A 55 2.132 6.198 -6.304 1.00 0.00 O ATOM 805 CB GLN A 55 1.799 8.907 -6.420 1.00 0.00 C ATOM 806 CG GLN A 55 0.309 9.010 -6.751 1.00 0.00 C ATOM 807 CD GLN A 55 -0.389 10.013 -5.831 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.195 11.214 -5.918 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.211 9.454 -4.947 1.00 0.00 N ATOM 0 H GLN A 55 4.083 8.382 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 55 1.151 8.486 -4.435 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.245 9.902 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.307 8.329 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.184 9.316 -7.790 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.158 8.031 -6.648 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.327 8.441 -4.928 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.725 10.039 -4.288 1.00 0.00 H new ATOM 818 N ILE A 56 2.151 6.062 -4.047 1.00 0.00 N ATOM 819 CA ILE A 56 2.239 4.612 -4.024 1.00 0.00 C ATOM 820 C ILE A 56 1.366 4.035 -5.140 1.00 0.00 C ATOM 821 O ILE A 56 0.378 4.648 -5.539 1.00 0.00 O ATOM 822 CB ILE A 56 1.894 4.076 -2.633 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.892 4.579 -1.588 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.795 2.549 -2.643 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.189 4.900 -0.268 1.00 0.00 C ATOM 0 H ILE A 56 2.129 6.502 -3.127 1.00 0.00 H new ATOM 0 HA ILE A 56 3.262 4.289 -4.219 1.00 0.00 H new ATOM 0 HB ILE A 56 0.913 4.461 -2.352 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.660 3.824 -1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.397 5.470 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.549 2.194 -1.642 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.016 2.239 -3.340 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.750 2.125 -2.954 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.921 5.255 0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.438 5.673 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.706 4.001 0.115 1.00 0.00 H new ATOM 837 N LYS A 57 1.763 2.862 -5.611 1.00 0.00 N ATOM 838 CA LYS A 57 1.028 2.195 -6.672 1.00 0.00 C ATOM 839 C LYS A 57 1.251 0.685 -6.570 1.00 0.00 C ATOM 840 O LYS A 57 2.384 0.214 -6.649 1.00 0.00 O ATOM 841 CB LYS A 57 1.406 2.781 -8.035 1.00 0.00 C ATOM 842 CG LYS A 57 0.721 4.130 -8.260 1.00 0.00 C ATOM 843 CD LYS A 57 0.359 4.322 -9.734 1.00 0.00 C ATOM 844 CE LYS A 57 0.207 5.807 -10.072 1.00 0.00 C ATOM 845 NZ LYS A 57 -1.034 6.037 -10.845 1.00 0.00 N ATOM 0 H LYS A 57 2.584 2.357 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.042 2.368 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.487 2.904 -8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.120 2.087 -8.825 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.180 4.191 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.380 4.935 -7.936 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.132 3.879 -10.363 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.571 3.798 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.185 6.395 -9.154 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.069 6.145 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.285 7.045 -10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.884 5.755 -11.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.806 5.472 -10.438 1.00 0.00 H new ATOM 859 N TYR A 58 0.151 -0.033 -6.394 1.00 0.00 N ATOM 860 CA TYR A 58 0.211 -1.480 -6.279 1.00 0.00 C ATOM 861 C TYR A 58 -0.363 -2.153 -7.528 1.00 0.00 C ATOM 862 O TYR A 58 -1.306 -1.646 -8.133 1.00 0.00 O ATOM 863 CB TYR A 58 -0.657 -1.844 -5.073 1.00 0.00 C ATOM 864 CG TYR A 58 -2.152 -1.935 -5.387 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.650 -3.034 -6.057 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.001 -0.919 -5.000 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.057 -3.120 -6.352 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.408 -1.005 -5.295 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.866 -2.102 -5.957 1.00 0.00 C ATOM 870 OH TYR A 58 -6.195 -2.183 -6.236 1.00 0.00 O ATOM 0 H TYR A 58 -0.787 0.361 -6.328 1.00 0.00 H new ATOM 0 HA TYR A 58 1.243 -1.814 -6.167 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.321 -2.801 -4.672 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.505 -1.100 -4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.985 -3.829 -6.360 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.611 -0.059 -4.476 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.460 -3.974 -6.875 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.084 -0.217 -4.998 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.321 -2.618 -7.105 1.00 0.00 H new ATOM 880 N LEU A 59 0.230 -3.286 -7.876 1.00 0.00 N ATOM 881 CA LEU A 59 -0.211 -4.034 -9.041 1.00 0.00 C ATOM 882 C LEU A 59 -1.454 -4.848 -8.678 1.00 0.00 C ATOM 883 O LEU A 59 -1.443 -5.607 -7.711 1.00 0.00 O ATOM 884 CB LEU A 59 0.936 -4.878 -9.600 1.00 0.00 C ATOM 885 CG LEU A 59 1.885 -4.165 -10.566 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.826 -5.162 -11.245 1.00 0.00 C ATOM 887 CD2 LEU A 59 1.106 -3.329 -11.583 1.00 0.00 C ATOM 0 H LEU A 59 1.012 -3.704 -7.372 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.498 -3.355 -9.844 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.521 -5.260 -8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.510 -5.741 -10.111 1.00 0.00 H new ATOM 0 HG LEU A 59 2.505 -3.477 -9.991 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.490 -4.630 -11.926 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.419 -5.676 -10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.241 -5.891 -11.805 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.804 -2.833 -12.257 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.445 -3.978 -12.158 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.513 -2.579 -11.060 1.00 0.00 H new ATOM 899 N ASP A 60 -2.497 -4.662 -9.474 1.00 0.00 N ATOM 900 CA ASP A 60 -3.746 -5.370 -9.249 1.00 0.00 C ATOM 901 C ASP A 60 -3.656 -6.764 -9.873 1.00 0.00 C ATOM 902 O ASP A 60 -2.564 -7.304 -10.041 1.00 0.00 O ATOM 903 CB ASP A 60 -4.920 -4.636 -9.900 1.00 0.00 C ATOM 904 CG ASP A 60 -6.172 -4.517 -9.028 1.00 0.00 C ATOM 905 OD1 ASP A 60 -6.670 -5.582 -8.603 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.602 -3.365 -8.806 1.00 0.00 O ATOM 0 H ASP A 60 -2.503 -4.031 -10.276 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.910 -5.431 -8.173 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.593 -3.634 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.186 -5.153 -10.822 1.00 0.00 H new ATOM 911 N GLU A 61 -4.820 -7.307 -10.200 1.00 0.00 N ATOM 912 CA GLU A 61 -4.886 -8.628 -10.801 1.00 0.00 C ATOM 913 C GLU A 61 -4.717 -8.530 -12.318 1.00 0.00 C ATOM 914 O GLU A 61 -4.995 -9.486 -13.041 1.00 0.00 O ATOM 915 CB GLU A 61 -6.197 -9.330 -10.440 1.00 0.00 C ATOM 916 CG GLU A 61 -6.177 -9.816 -8.989 1.00 0.00 C ATOM 917 CD GLU A 61 -6.772 -11.221 -8.874 1.00 0.00 C ATOM 918 OE1 GLU A 61 -8.015 -11.304 -8.766 1.00 0.00 O ATOM 919 OE2 GLU A 61 -5.971 -12.180 -8.896 1.00 0.00 O ATOM 0 H GLU A 61 -5.724 -6.856 -10.060 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.069 -9.228 -10.402 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.033 -8.646 -10.587 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.357 -10.176 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.153 -9.819 -8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.742 -9.126 -8.362 1.00 0.00 H new ATOM 926 N GLU A 62 -4.263 -7.365 -12.757 1.00 0.00 N ATOM 927 CA GLU A 62 -4.054 -7.129 -14.175 1.00 0.00 C ATOM 928 C GLU A 62 -2.611 -6.689 -14.433 1.00 0.00 C ATOM 929 O GLU A 62 -2.232 -6.431 -15.574 1.00 0.00 O ATOM 930 CB GLU A 62 -5.046 -6.096 -14.712 1.00 0.00 C ATOM 931 CG GLU A 62 -6.471 -6.415 -14.255 1.00 0.00 C ATOM 932 CD GLU A 62 -7.364 -6.765 -15.447 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.363 -7.956 -15.827 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.028 -5.834 -15.951 1.00 0.00 O ATOM 0 H GLU A 62 -4.034 -6.574 -12.155 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.230 -8.063 -14.708 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.764 -5.102 -14.367 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.005 -6.079 -15.801 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.453 -7.248 -13.552 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.887 -5.559 -13.724 1.00 0.00 H new ATOM 941 N ASN A 63 -1.846 -6.618 -13.353 1.00 0.00 N ATOM 942 CA ASN A 63 -0.454 -6.214 -13.448 1.00 0.00 C ATOM 943 C ASN A 63 -0.382 -4.719 -13.764 1.00 0.00 C ATOM 944 O ASN A 63 0.607 -4.246 -14.323 1.00 0.00 O ATOM 945 CB ASN A 63 0.263 -6.969 -14.570 1.00 0.00 C ATOM 946 CG ASN A 63 1.735 -7.201 -14.220 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.182 -8.316 -14.011 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.461 -6.087 -14.169 1.00 0.00 N ATOM 0 H ASN A 63 -2.164 -6.833 -12.408 1.00 0.00 H new ATOM 0 HA ASN A 63 0.028 -6.438 -12.496 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.229 -7.926 -14.742 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.191 -6.403 -15.498 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.455 -6.136 -13.944 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.024 -5.184 -14.355 1.00 0.00 H new ATOM 955 N GLU A 64 -1.441 -4.016 -13.391 1.00 0.00 N ATOM 956 CA GLU A 64 -1.510 -2.584 -13.627 1.00 0.00 C ATOM 957 C GLU A 64 -1.349 -1.821 -12.311 1.00 0.00 C ATOM 958 O GLU A 64 -2.066 -2.081 -11.346 1.00 0.00 O ATOM 959 CB GLU A 64 -2.819 -2.206 -14.323 1.00 0.00 C ATOM 960 CG GLU A 64 -2.820 -2.672 -15.780 1.00 0.00 C ATOM 961 CD GLU A 64 -4.177 -2.414 -16.438 1.00 0.00 C ATOM 962 OE1 GLU A 64 -4.511 -1.221 -16.600 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.849 -3.416 -16.763 1.00 0.00 O ATOM 0 H GLU A 64 -2.259 -4.412 -12.927 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.690 -2.304 -14.289 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.659 -2.655 -13.793 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.957 -1.126 -14.283 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.039 -2.150 -16.333 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.586 -3.736 -15.825 1.00 0.00 H new ATOM 970 N GLU A 65 -0.403 -0.893 -12.314 1.00 0.00 N ATOM 971 CA GLU A 65 -0.138 -0.091 -11.132 1.00 0.00 C ATOM 972 C GLU A 65 -1.400 0.663 -10.709 1.00 0.00 C ATOM 973 O GLU A 65 -1.991 1.390 -11.507 1.00 0.00 O ATOM 974 CB GLU A 65 1.023 0.876 -11.375 1.00 0.00 C ATOM 975 CG GLU A 65 2.362 0.224 -11.026 1.00 0.00 C ATOM 976 CD GLU A 65 3.476 1.270 -10.941 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.511 2.136 -11.842 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.267 1.179 -9.978 1.00 0.00 O ATOM 0 H GLU A 65 0.189 -0.679 -13.116 1.00 0.00 H new ATOM 0 HA GLU A 65 0.152 -0.759 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.028 1.189 -12.419 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.884 1.775 -10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.278 -0.301 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.615 -0.521 -11.780 1.00 0.00 H new ATOM 985 N VAL A 66 -1.777 0.465 -9.454 1.00 0.00 N ATOM 986 CA VAL A 66 -2.958 1.116 -8.915 1.00 0.00 C ATOM 987 C VAL A 66 -2.556 1.988 -7.724 1.00 0.00 C ATOM 988 O VAL A 66 -2.015 1.488 -6.739 1.00 0.00 O ATOM 989 CB VAL A 66 -4.017 0.071 -8.560 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.252 0.729 -7.942 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.395 -0.765 -9.785 1.00 0.00 C ATOM 0 H VAL A 66 -1.284 -0.138 -8.795 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.406 1.772 -9.662 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.588 -0.600 -7.816 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.989 -0.036 -7.699 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.966 1.259 -7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.682 1.435 -8.653 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.149 -1.500 -9.505 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.795 -0.113 -10.561 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.511 -1.278 -10.162 1.00 0.00 H new ATOM 1001 N SER A 67 -2.835 3.277 -7.854 1.00 0.00 N ATOM 1002 CA SER A 67 -2.509 4.223 -6.800 1.00 0.00 C ATOM 1003 C SER A 67 -3.662 4.308 -5.798 1.00 0.00 C ATOM 1004 O SER A 67 -4.827 4.343 -6.189 1.00 0.00 O ATOM 1005 CB SER A 67 -2.204 5.607 -7.377 1.00 0.00 C ATOM 1006 OG SER A 67 -3.392 6.341 -7.659 1.00 0.00 O ATOM 0 H SER A 67 -3.283 3.688 -8.673 1.00 0.00 H new ATOM 0 HA SER A 67 -1.615 3.868 -6.287 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.591 6.167 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.620 5.498 -8.291 1.00 0.00 H new ATOM 0 HG SER A 67 -3.155 7.219 -8.024 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.296 4.339 -4.525 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.285 4.419 -3.464 1.00 0.00 C ATOM 1014 C ILE A 68 -4.346 5.854 -2.936 1.00 0.00 C ATOM 1015 O ILE A 68 -3.358 6.371 -2.416 1.00 0.00 O ATOM 1016 CB ILE A 68 -3.995 3.378 -2.381 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -3.903 1.974 -2.981 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.029 3.454 -1.256 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.404 0.966 -1.944 1.00 0.00 C ATOM 0 H ILE A 68 -2.328 4.310 -4.205 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.276 4.178 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.024 3.604 -1.941 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.882 1.667 -3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.229 1.984 -3.837 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.799 2.704 -0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -5.002 4.445 -0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.023 3.267 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.348 -0.024 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.415 1.262 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.093 0.941 -1.100 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.515 6.458 -3.089 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.717 7.823 -2.634 1.00 0.00 C ATOM 1033 C ASN A 69 -6.957 7.880 -1.739 1.00 0.00 C ATOM 1034 O ASN A 69 -7.613 8.916 -1.647 1.00 0.00 O ATOM 1035 CB ASN A 69 -5.943 8.769 -3.815 1.00 0.00 C ATOM 1036 CG ASN A 69 -4.683 9.584 -4.114 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -4.348 10.533 -3.424 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.006 9.162 -5.178 1.00 0.00 N ATOM 0 H ASN A 69 -6.332 6.027 -3.522 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.825 8.132 -2.089 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.226 8.194 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -6.771 9.442 -3.593 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.150 9.640 -5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.342 8.360 -5.712 1.00 0.00 H new ATOM 1045 N SER A 70 -7.241 6.753 -1.103 1.00 0.00 N ATOM 1046 CA SER A 70 -8.390 6.661 -0.219 1.00 0.00 C ATOM 1047 C SER A 70 -8.374 5.324 0.523 1.00 0.00 C ATOM 1048 O SER A 70 -7.638 4.411 0.150 1.00 0.00 O ATOM 1049 CB SER A 70 -9.698 6.821 -0.997 1.00 0.00 C ATOM 1050 OG SER A 70 -10.786 6.164 -0.353 1.00 0.00 O ATOM 0 H SER A 70 -6.695 5.895 -1.183 1.00 0.00 H new ATOM 0 HA SER A 70 -8.329 7.472 0.506 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.928 7.881 -1.106 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.574 6.417 -2.002 1.00 0.00 H new ATOM 0 HG SER A 70 -11.603 6.291 -0.880 1.00 0.00 H new ATOM 1056 N GLN A 71 -9.194 5.249 1.561 1.00 0.00 N ATOM 1057 CA GLN A 71 -9.284 4.038 2.359 1.00 0.00 C ATOM 1058 C GLN A 71 -9.844 2.889 1.518 1.00 0.00 C ATOM 1059 O GLN A 71 -9.241 1.820 1.441 1.00 0.00 O ATOM 1060 CB GLN A 71 -10.133 4.267 3.610 1.00 0.00 C ATOM 1061 CG GLN A 71 -10.280 2.976 4.417 1.00 0.00 C ATOM 1062 CD GLN A 71 -9.280 2.935 5.574 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -9.008 3.928 6.229 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -8.749 1.735 5.788 1.00 0.00 N ATOM 0 H GLN A 71 -9.802 6.008 1.868 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.280 3.767 2.687 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.673 5.037 4.230 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.118 4.635 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.295 2.900 4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.123 2.116 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.021 0.945 5.202 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.070 1.604 6.538 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.992 3.148 0.910 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.641 2.149 0.078 1.00 0.00 C ATOM 1075 C GLY A 72 -10.646 1.518 -0.898 1.00 0.00 C ATOM 1076 O GLY A 72 -10.641 0.303 -1.087 1.00 0.00 O ATOM 0 H GLY A 72 -11.490 4.036 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.079 1.375 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.459 2.608 -0.477 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.826 2.373 -1.493 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.829 1.915 -2.445 1.00 0.00 C ATOM 1082 C GLU A 73 -7.883 0.912 -1.781 1.00 0.00 C ATOM 1083 O GLU A 73 -7.573 -0.130 -2.358 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.052 3.094 -3.035 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.652 3.532 -4.372 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.739 4.535 -5.080 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.525 5.619 -4.495 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.277 4.196 -6.191 1.00 0.00 O ATOM 0 H GLU A 73 -9.832 3.380 -1.334 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.342 1.413 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.065 3.930 -2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.008 2.813 -3.175 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.804 2.661 -5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.631 3.981 -4.206 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.450 1.261 -0.579 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.546 0.404 0.169 1.00 0.00 C ATOM 1097 C TYR A 74 -7.224 -0.916 0.541 1.00 0.00 C ATOM 1098 O TYR A 74 -6.674 -1.990 0.298 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.206 1.167 1.451 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.255 0.419 2.387 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.192 -0.292 1.867 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -5.459 0.454 3.751 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.297 -0.997 2.748 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -4.564 -0.250 4.632 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.527 -0.941 4.087 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.682 -1.606 4.919 1.00 0.00 O ATOM 0 H TYR A 74 -7.708 2.126 -0.104 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.663 0.168 -0.424 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.758 2.124 1.184 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.129 1.386 1.987 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.032 -0.320 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.291 1.010 4.158 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.462 -1.557 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.713 -0.230 5.702 1.00 0.00 H new ATOM 0 HH TYR A 74 -3.185 -2.272 5.432 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.408 -0.794 1.122 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.166 -1.965 1.529 1.00 0.00 C ATOM 1118 C GLU A 75 -9.101 -3.042 0.445 1.00 0.00 C ATOM 1119 O GLU A 75 -8.561 -4.124 0.672 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.616 -1.595 1.849 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.699 -0.760 3.128 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.867 -1.216 4.005 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.951 -1.452 3.429 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.650 -1.319 5.232 1.00 0.00 O ATOM 0 H GLU A 75 -8.861 0.098 1.321 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.719 -2.366 2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.045 -1.036 1.017 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.210 -2.502 1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.766 -0.847 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.821 0.293 2.872 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.659 -2.710 -0.709 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.671 -3.635 -1.829 1.00 0.00 C ATOM 1133 C GLU A 76 -8.277 -4.228 -2.043 1.00 0.00 C ATOM 1134 O GLU A 76 -8.109 -5.447 -2.034 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.177 -2.951 -3.101 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.638 -2.523 -2.949 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.574 -3.504 -3.658 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.648 -3.418 -4.903 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.194 -4.317 -2.940 1.00 0.00 O ATOM 0 H GLU A 76 -10.107 -1.812 -0.893 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.359 -4.448 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.560 -2.080 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.080 -3.631 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.896 -2.468 -1.891 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.773 -1.523 -3.362 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.313 -3.339 -2.231 1.00 0.00 N ATOM 1147 CA ALA A 77 -5.939 -3.759 -2.446 1.00 0.00 C ATOM 1148 C ALA A 77 -5.559 -4.804 -1.396 1.00 0.00 C ATOM 1149 O ALA A 77 -4.912 -5.801 -1.712 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.020 -2.536 -2.412 1.00 0.00 C ATOM 0 H ALA A 77 -7.456 -2.329 -2.239 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.828 -4.222 -3.426 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.989 -2.851 -2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.313 -1.839 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.102 -2.046 -1.442 1.00 0.00 H new ATOM 1156 N LEU A 78 -5.976 -4.540 -0.166 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.688 -5.445 0.933 1.00 0.00 C ATOM 1158 C LEU A 78 -6.410 -6.773 0.698 1.00 0.00 C ATOM 1159 O LEU A 78 -5.876 -7.837 1.006 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.029 -4.788 2.272 1.00 0.00 C ATOM 1161 CG LEU A 78 -4.995 -3.803 2.819 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.577 -2.978 3.969 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -3.710 -4.527 3.227 1.00 0.00 C ATOM 0 H LEU A 78 -6.511 -3.711 0.093 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.621 -5.665 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.979 -4.265 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.179 -5.574 3.012 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.734 -3.106 2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.821 -2.286 4.339 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.440 -2.416 3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.885 -3.644 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.992 -3.804 3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.936 -5.261 4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.286 -5.032 2.359 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.613 -6.667 0.153 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.414 -7.847 -0.128 1.00 0.00 C ATOM 1177 C LYS A 79 -7.708 -8.698 -1.185 1.00 0.00 C ATOM 1178 O LYS A 79 -7.686 -9.924 -1.088 1.00 0.00 O ATOM 1179 CB LYS A 79 -9.840 -7.447 -0.511 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.628 -6.983 0.715 1.00 0.00 C ATOM 1181 CD LYS A 79 -11.354 -5.666 0.434 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.352 -5.341 1.547 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.353 -4.358 1.076 1.00 0.00 N ATOM 0 H LYS A 79 -8.053 -5.782 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.510 -8.464 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.811 -6.648 -1.252 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.347 -8.294 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.351 -7.748 0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.951 -6.856 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.628 -4.858 0.345 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.877 -5.731 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.854 -6.253 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.823 -4.943 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.022 -4.149 1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.871 -3.482 0.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.870 -4.751 0.264 1.00 0.00 H new ATOM 1197 N MET A 80 -7.148 -8.013 -2.172 1.00 0.00 N ATOM 1198 CA MET A 80 -6.443 -8.691 -3.247 1.00 0.00 C ATOM 1199 C MET A 80 -5.168 -9.360 -2.731 1.00 0.00 C ATOM 1200 O MET A 80 -4.882 -10.506 -3.072 1.00 0.00 O ATOM 1201 CB MET A 80 -6.084 -7.681 -4.339 1.00 0.00 C ATOM 1202 CG MET A 80 -5.783 -8.388 -5.662 1.00 0.00 C ATOM 1203 SD MET A 80 -4.833 -7.313 -6.725 1.00 0.00 S ATOM 1204 CE MET A 80 -3.180 -7.821 -6.282 1.00 0.00 C ATOM 0 H MET A 80 -7.168 -6.996 -2.250 1.00 0.00 H new ATOM 0 HA MET A 80 -7.096 -9.463 -3.654 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.908 -6.980 -4.476 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.217 -7.097 -4.029 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.231 -9.309 -5.475 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.714 -8.669 -6.154 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.599 -6.948 -5.985 1.00 0.00 H new ATOM 0 HE2 MET A 80 -3.226 -8.526 -5.452 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.705 -8.299 -7.138 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.436 -8.614 -1.916 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.197 -9.121 -1.349 1.00 0.00 C ATOM 1216 C ALA A 81 -3.430 -10.532 -0.806 1.00 0.00 C ATOM 1217 O ALA A 81 -2.605 -11.422 -1.007 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.698 -8.157 -0.271 1.00 0.00 C ATOM 0 H ALA A 81 -4.677 -7.663 -1.635 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.423 -9.185 -2.113 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.769 -8.536 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.521 -7.177 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.448 -8.070 0.515 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.557 -10.693 -0.128 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.908 -11.981 0.445 1.00 0.00 C ATOM 1226 C VAL A 82 -4.918 -13.040 -0.659 1.00 0.00 C ATOM 1227 O VAL A 82 -4.518 -14.181 -0.433 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.243 -11.878 1.186 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.611 -13.210 1.842 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.211 -10.749 2.218 1.00 0.00 C ATOM 0 H VAL A 82 -5.239 -9.953 0.037 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.165 -12.286 1.182 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.015 -11.641 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.564 -13.109 2.362 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.695 -13.981 1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.836 -13.490 2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.172 -10.697 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.422 -10.943 2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.017 -9.802 1.715 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.380 -12.625 -1.829 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.447 -13.524 -2.969 1.00 0.00 C ATOM 1242 C LYS A 83 -4.040 -14.026 -3.301 1.00 0.00 C ATOM 1243 O LYS A 83 -3.834 -15.223 -3.493 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.151 -12.845 -4.146 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.517 -12.299 -3.727 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.287 -11.761 -4.935 1.00 0.00 C ATOM 1247 CE LYS A 83 -8.675 -12.894 -5.887 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.144 -13.067 -5.915 1.00 0.00 N ATOM 0 H LYS A 83 -5.712 -11.678 -2.013 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.050 -14.400 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.531 -12.032 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -6.275 -13.558 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.095 -13.087 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.385 -11.505 -2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.184 -11.242 -4.597 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.676 -11.030 -5.464 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.310 -12.675 -6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.200 -13.822 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.390 -13.840 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.485 -13.297 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.591 -12.186 -6.239 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.109 -13.086 -3.357 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.727 -13.418 -3.662 1.00 0.00 C ATOM 1264 C GLN A 84 -1.172 -14.387 -2.617 1.00 0.00 C ATOM 1265 O GLN A 84 -0.905 -15.549 -2.922 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.867 -12.156 -3.752 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.620 -11.028 -4.460 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.697 -10.265 -5.412 1.00 0.00 C ATOM 1269 OE1 GLN A 84 0.037 -10.840 -6.199 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.775 -8.942 -5.298 1.00 0.00 N ATOM 0 H GLN A 84 -3.284 -12.094 -3.196 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.697 -13.908 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.581 -11.834 -2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.054 -12.377 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.461 -11.441 -5.017 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.033 -10.342 -3.721 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.411 -8.525 -4.618 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.199 -8.344 -5.891 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.014 -13.874 -1.405 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.495 -14.680 -0.313 1.00 0.00 C ATOM 1281 C GLY A 85 -0.222 -13.819 0.922 1.00 0.00 C ATOM 1282 O GLY A 85 0.792 -13.996 1.595 1.00 0.00 O ATOM 0 H GLY A 85 -1.236 -12.910 -1.156 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.210 -15.464 -0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.424 -15.175 -0.626 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.146 -12.906 1.183 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.019 -12.017 2.325 1.00 0.00 C ATOM 1288 C ASN A 86 0.095 -11.003 2.055 1.00 0.00 C ATOM 1289 O ASN A 86 0.799 -10.590 2.975 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.652 -12.796 3.590 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.525 -14.043 3.738 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.156 -15.140 3.354 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.702 -13.815 4.316 1.00 0.00 N ATOM 0 H ASN A 86 -1.986 -12.763 0.623 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.977 -11.518 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.398 -13.085 3.551 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.774 -12.156 4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.357 -14.584 4.460 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.949 -12.872 4.615 1.00 0.00 H new ATOM 1300 N GLN A 87 0.219 -10.631 0.789 1.00 0.00 N ATOM 1301 CA GLN A 87 1.234 -9.674 0.387 1.00 0.00 C ATOM 1302 C GLN A 87 0.737 -8.836 -0.793 1.00 0.00 C ATOM 1303 O GLN A 87 -0.131 -9.275 -1.548 1.00 0.00 O ATOM 1304 CB GLN A 87 2.548 -10.379 0.043 1.00 0.00 C ATOM 1305 CG GLN A 87 2.410 -11.200 -1.241 1.00 0.00 C ATOM 1306 CD GLN A 87 2.862 -10.391 -2.459 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.184 -9.218 -2.373 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.867 -11.083 -3.595 1.00 0.00 N ATOM 0 H GLN A 87 -0.367 -10.976 0.029 1.00 0.00 H new ATOM 0 HA GLN A 87 1.427 -9.006 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.341 -9.640 -0.077 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.841 -11.031 0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 87 3.006 -12.109 -1.162 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.373 -11.509 -1.370 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.585 -12.063 -3.596 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.153 -10.633 -4.465 1.00 0.00 H new ATOM 1317 N LEU A 88 1.307 -7.647 -0.916 1.00 0.00 N ATOM 1318 CA LEU A 88 0.931 -6.744 -1.991 1.00 0.00 C ATOM 1319 C LEU A 88 2.182 -6.034 -2.515 1.00 0.00 C ATOM 1320 O LEU A 88 3.000 -5.554 -1.733 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.170 -5.789 -1.529 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.892 -5.013 -2.633 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.546 -5.967 -3.635 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.899 -4.025 -2.040 1.00 0.00 C ATOM 0 H LEU A 88 2.027 -7.287 -0.289 1.00 0.00 H new ATOM 0 HA LEU A 88 0.506 -7.301 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.911 -6.362 -0.972 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.267 -5.072 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.152 -4.429 -3.180 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.052 -5.390 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.781 -6.595 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.271 -6.596 -3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.398 -3.487 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.640 -4.568 -1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.377 -3.315 -1.398 1.00 0.00 H new ATOM 1336 N GLN A 89 2.289 -5.991 -3.835 1.00 0.00 N ATOM 1337 CA GLN A 89 3.426 -5.347 -4.472 1.00 0.00 C ATOM 1338 C GLN A 89 3.113 -3.876 -4.755 1.00 0.00 C ATOM 1339 O GLN A 89 2.436 -3.559 -5.731 1.00 0.00 O ATOM 1340 CB GLN A 89 3.822 -6.080 -5.755 1.00 0.00 C ATOM 1341 CG GLN A 89 5.216 -6.696 -5.626 1.00 0.00 C ATOM 1342 CD GLN A 89 6.304 -5.637 -5.814 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.426 -4.693 -5.051 1.00 0.00 O ATOM 1344 NE2 GLN A 89 7.085 -5.844 -6.871 1.00 0.00 N ATOM 0 H GLN A 89 1.608 -6.391 -4.480 1.00 0.00 H new ATOM 0 HA GLN A 89 4.275 -5.393 -3.789 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.094 -6.862 -5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.804 -5.386 -6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.322 -7.161 -4.646 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.339 -7.484 -6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.929 -6.655 -7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.840 -5.192 -7.083 1.00 0.00 H new ATOM 1353 N MET A 90 3.621 -3.018 -3.883 1.00 0.00 N ATOM 1354 CA MET A 90 3.405 -1.589 -4.026 1.00 0.00 C ATOM 1355 C MET A 90 4.674 -0.888 -4.516 1.00 0.00 C ATOM 1356 O MET A 90 5.783 -1.298 -4.177 1.00 0.00 O ATOM 1357 CB MET A 90 2.983 -0.998 -2.680 1.00 0.00 C ATOM 1358 CG MET A 90 1.709 -1.669 -2.162 1.00 0.00 C ATOM 1359 SD MET A 90 1.577 -1.448 -0.396 1.00 0.00 S ATOM 1360 CE MET A 90 0.265 -0.239 -0.332 1.00 0.00 C ATOM 0 H MET A 90 4.182 -3.285 -3.074 1.00 0.00 H new ATOM 0 HA MET A 90 2.618 -1.433 -4.764 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.786 -1.126 -1.955 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.817 0.074 -2.786 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.836 -1.242 -2.656 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.724 -2.732 -2.404 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.432 0.436 0.508 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.252 0.333 -1.260 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.691 -0.746 -0.205 1.00 0.00 H new ATOM 1370 N GLN A 91 4.469 0.156 -5.305 1.00 0.00 N ATOM 1371 CA GLN A 91 5.583 0.917 -5.844 1.00 0.00 C ATOM 1372 C GLN A 91 5.430 2.400 -5.498 1.00 0.00 C ATOM 1373 O GLN A 91 4.452 3.035 -5.890 1.00 0.00 O ATOM 1374 CB GLN A 91 5.703 0.717 -7.356 1.00 0.00 C ATOM 1375 CG GLN A 91 6.280 -0.663 -7.682 1.00 0.00 C ATOM 1376 CD GLN A 91 6.082 -1.004 -9.160 1.00 0.00 C ATOM 1377 OE1 GLN A 91 6.473 -0.268 -10.052 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.454 -2.157 -9.370 1.00 0.00 N ATOM 0 H GLN A 91 3.548 0.493 -5.584 1.00 0.00 H new ATOM 0 HA GLN A 91 6.502 0.550 -5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.722 0.824 -7.820 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.342 1.492 -7.779 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.342 -0.684 -7.439 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.797 -1.419 -7.063 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.153 -2.725 -8.578 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.273 -2.473 -10.323 1.00 0.00 H new ATOM 1387 N VAL A 92 6.411 2.908 -4.767 1.00 0.00 N ATOM 1388 CA VAL A 92 6.398 4.304 -4.363 1.00 0.00 C ATOM 1389 C VAL A 92 6.685 5.185 -5.581 1.00 0.00 C ATOM 1390 O VAL A 92 7.533 4.851 -6.407 1.00 0.00 O ATOM 1391 CB VAL A 92 7.387 4.527 -3.217 1.00 0.00 C ATOM 1392 CG1 VAL A 92 7.997 5.928 -3.285 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.720 4.283 -1.862 1.00 0.00 C ATOM 0 H VAL A 92 7.220 2.378 -4.444 1.00 0.00 H new ATOM 0 HA VAL A 92 5.415 4.583 -3.984 1.00 0.00 H new ATOM 0 HB VAL A 92 8.196 3.804 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.696 6.061 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.525 6.049 -4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.205 6.674 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.445 4.448 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.883 4.970 -1.740 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.357 3.256 -1.815 1.00 0.00 H new ATOM 1403 N HIS A 93 5.962 6.293 -5.653 1.00 0.00 N ATOM 1404 CA HIS A 93 6.128 7.224 -6.756 1.00 0.00 C ATOM 1405 C HIS A 93 6.073 8.659 -6.228 1.00 0.00 C ATOM 1406 O HIS A 93 4.993 9.228 -6.076 1.00 0.00 O ATOM 1407 CB HIS A 93 5.097 6.956 -7.853 1.00 0.00 C ATOM 1408 CG HIS A 93 5.426 5.771 -8.729 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.380 5.821 -9.731 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.918 4.505 -8.743 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.435 4.633 -10.314 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.529 3.819 -9.701 1.00 0.00 N ATOM 0 H HIS A 93 5.260 6.567 -4.966 1.00 0.00 H new ATOM 0 HA HIS A 93 7.106 7.079 -7.215 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.123 6.794 -7.390 1.00 0.00 H new ATOM 0 HB3 HIS A 93 5.008 7.844 -8.479 1.00 0.00 H new ATOM 0 HD2 HIS A 93 4.149 4.125 -8.086 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.084 4.357 -11.132 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.350 2.843 -9.939 1.00 0.00 H new ATOM 1420 N GLU A 94 7.252 9.204 -5.963 1.00 0.00 N ATOM 1421 CA GLU A 94 7.352 10.562 -5.456 1.00 0.00 C ATOM 1422 C GLU A 94 6.468 11.502 -6.277 1.00 0.00 C ATOM 1423 O GLU A 94 6.622 11.599 -7.494 1.00 0.00 O ATOM 1424 CB GLU A 94 8.805 11.040 -5.451 1.00 0.00 C ATOM 1425 CG GLU A 94 9.254 11.418 -4.038 1.00 0.00 C ATOM 1426 CD GLU A 94 9.127 12.925 -3.808 1.00 0.00 C ATOM 1427 OE1 GLU A 94 8.103 13.484 -4.257 1.00 0.00 O ATOM 1428 OE2 GLU A 94 10.057 13.485 -3.188 1.00 0.00 O ATOM 0 H GLU A 94 8.146 8.729 -6.090 1.00 0.00 H new ATOM 0 HA GLU A 94 6.998 10.571 -4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.451 10.255 -5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.911 11.900 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.650 10.882 -3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.288 11.109 -3.886 1.00 0.00 H new ATOM 1435 N GLY A 95 5.561 12.170 -5.580 1.00 0.00 N ATOM 1436 CA GLY A 95 4.652 13.099 -6.230 1.00 0.00 C ATOM 1437 C GLY A 95 5.389 14.363 -6.679 1.00 0.00 C ATOM 1438 O GLY A 95 5.709 14.513 -7.857 1.00 0.00 O ATOM 0 H GLY A 95 5.436 12.086 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.189 12.618 -7.092 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.848 13.367 -5.544 1.00 0.00 H new ATOM 1442 N SER A 96 5.636 15.239 -5.717 1.00 0.00 N ATOM 1443 CA SER A 96 6.329 16.485 -5.999 1.00 0.00 C ATOM 1444 C SER A 96 6.503 17.290 -4.710 1.00 0.00 C ATOM 1445 O SER A 96 5.534 17.546 -3.998 1.00 0.00 O ATOM 1446 CB SER A 96 5.574 17.310 -7.043 1.00 0.00 C ATOM 1447 OG SER A 96 6.404 18.303 -7.640 1.00 0.00 O ATOM 0 H SER A 96 5.369 15.111 -4.741 1.00 0.00 H new ATOM 0 HA SER A 96 7.312 16.246 -6.406 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.186 16.648 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.715 17.790 -6.574 1.00 0.00 H new ATOM 0 HG SER A 96 5.886 18.807 -8.302 1.00 0.00 H new ATOM 1453 N GLY A 97 7.747 17.667 -4.449 1.00 0.00 N ATOM 1454 CA GLY A 97 8.060 18.437 -3.258 1.00 0.00 C ATOM 1455 C GLY A 97 9.554 18.765 -3.194 1.00 0.00 C ATOM 1456 O GLY A 97 10.394 17.890 -3.399 1.00 0.00 O ATOM 0 H GLY A 97 8.549 17.453 -5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.481 19.360 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.769 17.875 -2.370 1.00 0.00 H new ATOM 1460 N PRO A 98 9.846 20.061 -2.902 1.00 0.00 N ATOM 1461 CA PRO A 98 11.223 20.515 -2.809 1.00 0.00 C ATOM 1462 C PRO A 98 11.870 20.039 -1.507 1.00 0.00 C ATOM 1463 O PRO A 98 12.817 19.254 -1.531 1.00 0.00 O ATOM 1464 CB PRO A 98 11.146 22.029 -2.916 1.00 0.00 C ATOM 1465 CG PRO A 98 9.706 22.397 -2.598 1.00 0.00 C ATOM 1466 CD PRO A 98 8.877 21.124 -2.654 1.00 0.00 C ATOM 0 HA PRO A 98 11.856 20.105 -3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.834 22.505 -2.218 1.00 0.00 H new ATOM 0 HB3 PRO A 98 11.423 22.364 -3.915 1.00 0.00 H new ATOM 0 HG2 PRO A 98 9.638 22.854 -1.611 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.332 23.128 -3.314 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.340 20.960 -1.720 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.131 21.172 -3.447 1.00 0.00 H new ATOM 1474 N SER A 99 11.334 20.535 -0.402 1.00 0.00 N ATOM 1475 CA SER A 99 11.848 20.170 0.908 1.00 0.00 C ATOM 1476 C SER A 99 12.185 18.678 0.941 1.00 0.00 C ATOM 1477 O SER A 99 11.373 17.846 0.541 1.00 0.00 O ATOM 1478 CB SER A 99 10.841 20.512 2.009 1.00 0.00 C ATOM 1479 OG SER A 99 11.361 20.244 3.308 1.00 0.00 O ATOM 0 H SER A 99 10.549 21.186 -0.386 1.00 0.00 H new ATOM 0 HA SER A 99 12.756 20.745 1.092 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.569 21.565 1.937 1.00 0.00 H new ATOM 0 HB3 SER A 99 9.928 19.936 1.858 1.00 0.00 H new ATOM 0 HG SER A 99 10.690 20.477 3.983 1.00 0.00 H new ATOM 1485 N SER A 100 13.385 18.386 1.421 1.00 0.00 N ATOM 1486 CA SER A 100 13.839 17.009 1.512 1.00 0.00 C ATOM 1487 C SER A 100 13.947 16.401 0.112 1.00 0.00 C ATOM 1488 O SER A 100 13.281 16.852 -0.818 1.00 0.00 O ATOM 1489 CB SER A 100 12.898 16.174 2.382 1.00 0.00 C ATOM 1490 OG SER A 100 12.633 16.800 3.634 1.00 0.00 O ATOM 0 H SER A 100 14.056 19.079 1.751 1.00 0.00 H new ATOM 0 HA SER A 100 14.823 17.004 1.981 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.960 16.014 1.851 1.00 0.00 H new ATOM 0 HB3 SER A 100 13.339 15.192 2.554 1.00 0.00 H new ATOM 0 HG SER A 100 12.027 16.237 4.160 1.00 0.00 H new ATOM 1496 N GLY A 101 14.792 15.385 0.007 1.00 0.00 N ATOM 1497 CA GLY A 101 14.996 14.711 -1.264 1.00 0.00 C ATOM 1498 C GLY A 101 16.448 14.841 -1.727 1.00 0.00 C ATOM 1499 O GLY A 101 17.351 14.260 -1.126 1.00 0.00 O ATOM 0 H GLY A 101 15.343 15.013 0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 101 14.735 13.657 -1.167 1.00 0.00 H new ATOM 0 HA3 GLY A 101 14.331 15.136 -2.016 1.00 0.00 H new TER 1503 GLY A 101