USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=25 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= -1.74! K(o=-4.6!,f=-2.9) USER MOD Set 1.2: A 87 GLN : amide:sc= -2.84! C(o=-4.6!,f=-7.9!) USER MOD Set 2.1: A 80 MET CE :methyl -134:sc= -4.05! (180deg=-4.43!) USER MOD Set 2.2: A 84 GLN : amide:sc= -3.05! K(o=-7.1!,f=-4) USER MOD Set 3.1: A 20 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 89 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Set 4.1: A 9 HIS : no HD1:sc= 0 X(o=-0.088,f=-0.44) USER MOD Set 4.2: A 11 MET CE :methyl -123:sc= -0.088 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 41:sc= 0.324 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 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.937 X(o=-0.94,f=-1.2) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.945 X(o=-0.95,f=-1) USER MOD Single : A 26 GLN : amide:sc= -6.24! C(o=-6.2!,f=-6.3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -30:sc= 0.222 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= 0.00414 USER MOD Single : A 44 MET CE :methyl 170:sc= -1.63 (180deg=-2.11) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= -1.4! (180deg=-1.89!) USER MOD Single : A 48 SER OG : rot -167:sc= 0.0157 USER MOD Single : A 52 ASN : amide:sc=-0.00846 K(o=-0.0085,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 45:sc= 0.00263 USER MOD Single : A 55 GLN : amide:sc= -0.475 X(o=-0.47,f=-0.46) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -15:sc= 0.966 USER MOD Single : A 63 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2.9!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 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= -2.71 X(o=-2.7,f=-2.2!) USER MOD Single : A 74 TYR OH : rot 180:sc= -1.05 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= -0.475 X(o=-0.47,f=-0.88) USER MOD Single : A 90 MET CE :methyl -114:sc= -0.388 (180deg=-1.79!) USER MOD Single : A 91 GLN : amide:sc=-0.00325 X(o=-0.0033,f=0) USER MOD Single : A 93 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.14) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.386 -34.770 -12.714 1.00 0.00 N ATOM 2 CA GLY A 1 7.746 -35.502 -11.634 1.00 0.00 C ATOM 3 C GLY A 1 6.226 -35.336 -11.686 1.00 0.00 C ATOM 4 O GLY A 1 5.602 -35.613 -12.710 1.00 0.00 O ATOM 0 H1 GLY A 1 9.417 -34.898 -12.657 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.042 -35.128 -13.628 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.158 -33.759 -12.631 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.003 -36.559 -11.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.122 -35.145 -10.675 1.00 0.00 H new ATOM 8 N SER A 2 5.673 -34.886 -10.569 1.00 0.00 N ATOM 9 CA SER A 2 4.238 -34.681 -10.474 1.00 0.00 C ATOM 10 C SER A 2 3.885 -34.071 -9.116 1.00 0.00 C ATOM 11 O SER A 2 4.358 -34.537 -8.081 1.00 0.00 O ATOM 12 CB SER A 2 3.479 -35.993 -10.680 1.00 0.00 C ATOM 13 OG SER A 2 2.252 -35.796 -11.378 1.00 0.00 O ATOM 0 H SER A 2 6.193 -34.658 -9.722 1.00 0.00 H new ATOM 0 HA SER A 2 3.938 -33.992 -11.264 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.105 -36.690 -11.237 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.276 -36.450 -9.712 1.00 0.00 H new ATOM 0 HG SER A 2 1.798 -36.657 -11.491 1.00 0.00 H new ATOM 19 N SER A 3 3.057 -33.038 -9.164 1.00 0.00 N ATOM 20 CA SER A 3 2.636 -32.359 -7.950 1.00 0.00 C ATOM 21 C SER A 3 1.375 -31.536 -8.222 1.00 0.00 C ATOM 22 O SER A 3 1.192 -31.019 -9.323 1.00 0.00 O ATOM 23 CB SER A 3 3.749 -31.461 -7.406 1.00 0.00 C ATOM 24 OG SER A 3 4.515 -32.113 -6.397 1.00 0.00 O ATOM 0 H SER A 3 2.666 -32.654 -10.025 1.00 0.00 H new ATOM 0 HA SER A 3 2.414 -33.114 -7.195 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.405 -31.162 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.313 -30.549 -6.998 1.00 0.00 H new ATOM 0 HG SER A 3 4.669 -33.046 -6.655 1.00 0.00 H new ATOM 30 N GLY A 4 0.538 -31.440 -7.199 1.00 0.00 N ATOM 31 CA GLY A 4 -0.700 -30.689 -7.314 1.00 0.00 C ATOM 32 C GLY A 4 -1.672 -31.059 -6.191 1.00 0.00 C ATOM 33 O GLY A 4 -2.737 -31.618 -6.446 1.00 0.00 O ATOM 0 H GLY A 4 0.693 -31.870 -6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.486 -29.621 -7.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.162 -30.889 -8.281 1.00 0.00 H new ATOM 37 N SER A 5 -1.270 -30.731 -4.972 1.00 0.00 N ATOM 38 CA SER A 5 -2.091 -31.022 -3.809 1.00 0.00 C ATOM 39 C SER A 5 -2.738 -29.736 -3.291 1.00 0.00 C ATOM 40 O SER A 5 -2.194 -28.648 -3.469 1.00 0.00 O ATOM 41 CB SER A 5 -1.267 -31.684 -2.704 1.00 0.00 C ATOM 42 OG SER A 5 -1.723 -33.002 -2.414 1.00 0.00 O ATOM 0 H SER A 5 -0.386 -30.266 -4.764 1.00 0.00 H new ATOM 0 HA SER A 5 -2.873 -31.720 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.220 -31.721 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.318 -31.076 -1.801 1.00 0.00 H new ATOM 0 HG SER A 5 -1.170 -33.391 -1.705 1.00 0.00 H new ATOM 48 N SER A 6 -3.891 -29.904 -2.660 1.00 0.00 N ATOM 49 CA SER A 6 -4.618 -28.770 -2.114 1.00 0.00 C ATOM 50 C SER A 6 -4.854 -28.972 -0.616 1.00 0.00 C ATOM 51 O SER A 6 -5.071 -30.095 -0.164 1.00 0.00 O ATOM 52 CB SER A 6 -5.950 -28.570 -2.840 1.00 0.00 C ATOM 53 OG SER A 6 -6.670 -29.791 -2.982 1.00 0.00 O ATOM 0 H SER A 6 -4.340 -30.808 -2.515 1.00 0.00 H new ATOM 0 HA SER A 6 -4.016 -27.873 -2.262 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.558 -27.852 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.765 -28.142 -3.825 1.00 0.00 H new ATOM 0 HG SER A 6 -7.515 -29.620 -3.449 1.00 0.00 H new ATOM 59 N GLY A 7 -4.804 -27.866 0.112 1.00 0.00 N ATOM 60 CA GLY A 7 -5.010 -27.908 1.550 1.00 0.00 C ATOM 61 C GLY A 7 -5.417 -26.533 2.085 1.00 0.00 C ATOM 62 O GLY A 7 -4.663 -25.569 1.966 1.00 0.00 O ATOM 0 H GLY A 7 -4.624 -26.936 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.783 -28.639 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.095 -28.238 2.043 1.00 0.00 H new ATOM 66 N PRO A 8 -6.639 -26.486 2.679 1.00 0.00 N ATOM 67 CA PRO A 8 -7.155 -25.246 3.233 1.00 0.00 C ATOM 68 C PRO A 8 -6.462 -24.905 4.554 1.00 0.00 C ATOM 69 O PRO A 8 -6.294 -25.771 5.412 1.00 0.00 O ATOM 70 CB PRO A 8 -8.650 -25.476 3.389 1.00 0.00 C ATOM 71 CG PRO A 8 -8.845 -26.983 3.355 1.00 0.00 C ATOM 72 CD PRO A 8 -7.559 -27.609 2.838 1.00 0.00 C ATOM 0 HA PRO A 8 -6.963 -24.387 2.591 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.014 -25.056 4.327 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.206 -24.992 2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.080 -27.360 4.350 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.683 -27.245 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.167 -28.346 3.539 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.722 -28.125 1.892 1.00 0.00 H new ATOM 80 N HIS A 9 -6.079 -23.643 4.676 1.00 0.00 N ATOM 81 CA HIS A 9 -5.408 -23.177 5.878 1.00 0.00 C ATOM 82 C HIS A 9 -5.995 -21.830 6.303 1.00 0.00 C ATOM 83 O HIS A 9 -6.501 -21.078 5.472 1.00 0.00 O ATOM 84 CB HIS A 9 -3.894 -23.125 5.668 1.00 0.00 C ATOM 85 CG HIS A 9 -3.408 -21.857 5.007 1.00 0.00 C ATOM 86 ND1 HIS A 9 -3.946 -21.374 3.826 1.00 0.00 N ATOM 87 CD2 HIS A 9 -2.432 -20.978 5.373 1.00 0.00 C ATOM 88 CE1 HIS A 9 -3.313 -20.255 3.505 1.00 0.00 C ATOM 89 NE2 HIS A 9 -2.375 -20.012 4.465 1.00 0.00 N ATOM 0 H HIS A 9 -6.220 -22.928 3.962 1.00 0.00 H new ATOM 0 HA HIS A 9 -5.579 -23.881 6.692 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -3.400 -23.231 6.634 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.592 -23.978 5.060 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.811 -21.055 6.253 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.506 -19.643 2.636 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -1.735 -19.218 4.482 1.00 0.00 H new ATOM 97 N SER A 10 -5.908 -21.566 7.599 1.00 0.00 N ATOM 98 CA SER A 10 -6.424 -20.322 8.145 1.00 0.00 C ATOM 99 C SER A 10 -5.584 -19.144 7.648 1.00 0.00 C ATOM 100 O SER A 10 -4.365 -19.253 7.526 1.00 0.00 O ATOM 101 CB SER A 10 -6.437 -20.356 9.675 1.00 0.00 C ATOM 102 OG SER A 10 -7.636 -20.932 10.186 1.00 0.00 O ATOM 0 H SER A 10 -5.488 -22.192 8.286 1.00 0.00 H new ATOM 0 HA SER A 10 -7.451 -20.198 7.802 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.580 -20.927 10.032 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.328 -19.342 10.061 1.00 0.00 H new ATOM 0 HG SER A 10 -7.605 -20.937 11.165 1.00 0.00 H new ATOM 108 N MET A 11 -6.270 -18.044 7.373 1.00 0.00 N ATOM 109 CA MET A 11 -5.603 -16.846 6.892 1.00 0.00 C ATOM 110 C MET A 11 -5.240 -15.917 8.051 1.00 0.00 C ATOM 111 O MET A 11 -5.652 -16.146 9.188 1.00 0.00 O ATOM 112 CB MET A 11 -6.520 -16.109 5.914 1.00 0.00 C ATOM 113 CG MET A 11 -6.307 -16.605 4.482 1.00 0.00 C ATOM 114 SD MET A 11 -7.384 -17.989 4.149 1.00 0.00 S ATOM 115 CE MET A 11 -6.421 -18.838 2.909 1.00 0.00 C ATOM 0 H MET A 11 -7.281 -17.957 7.474 1.00 0.00 H new ATOM 0 HA MET A 11 -4.683 -17.143 6.388 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.560 -16.258 6.203 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.325 -15.038 5.964 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.508 -15.799 3.776 1.00 0.00 H new ATOM 0 HG3 MET A 11 -5.267 -16.901 4.342 1.00 0.00 H new ATOM 0 HE1 MET A 11 -7.014 -18.950 2.001 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.523 -18.261 2.687 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.137 -19.823 3.280 1.00 0.00 H new ATOM 125 N GLU A 12 -4.473 -14.887 7.725 1.00 0.00 N ATOM 126 CA GLU A 12 -4.049 -13.922 8.725 1.00 0.00 C ATOM 127 C GLU A 12 -4.151 -12.501 8.168 1.00 0.00 C ATOM 128 O GLU A 12 -4.121 -12.302 6.955 1.00 0.00 O ATOM 129 CB GLU A 12 -2.629 -14.221 9.209 1.00 0.00 C ATOM 130 CG GLU A 12 -1.610 -13.994 8.090 1.00 0.00 C ATOM 131 CD GLU A 12 -0.711 -15.219 7.911 1.00 0.00 C ATOM 132 OE1 GLU A 12 0.075 -15.488 8.845 1.00 0.00 O ATOM 133 OE2 GLU A 12 -0.829 -15.858 6.843 1.00 0.00 O ATOM 0 H GLU A 12 -4.134 -14.700 6.781 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.714 -14.003 9.585 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.389 -13.583 10.060 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.569 -15.252 9.557 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.131 -13.781 7.156 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.000 -13.121 8.321 1.00 0.00 H new ATOM 140 N PRO A 13 -4.274 -11.523 9.106 1.00 0.00 N ATOM 141 CA PRO A 13 -4.380 -10.126 8.721 1.00 0.00 C ATOM 142 C PRO A 13 -3.025 -9.576 8.274 1.00 0.00 C ATOM 143 O PRO A 13 -2.921 -8.957 7.216 1.00 0.00 O ATOM 144 CB PRO A 13 -4.932 -9.421 9.949 1.00 0.00 C ATOM 145 CG PRO A 13 -4.677 -10.359 11.118 1.00 0.00 C ATOM 146 CD PRO A 13 -4.313 -11.722 10.552 1.00 0.00 C ATOM 0 HA PRO A 13 -5.035 -9.974 7.863 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.438 -8.461 10.103 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.997 -9.217 9.837 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.870 -9.978 11.744 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -5.563 -10.432 11.749 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.350 -12.064 10.931 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.050 -12.476 10.829 1.00 0.00 H new ATOM 154 N GLN A 14 -2.020 -9.821 9.101 1.00 0.00 N ATOM 155 CA GLN A 14 -0.675 -9.358 8.804 1.00 0.00 C ATOM 156 C GLN A 14 -0.398 -9.461 7.303 1.00 0.00 C ATOM 157 O GLN A 14 -0.120 -10.546 6.793 1.00 0.00 O ATOM 158 CB GLN A 14 0.365 -10.140 9.609 1.00 0.00 C ATOM 159 CG GLN A 14 0.240 -9.839 11.105 1.00 0.00 C ATOM 160 CD GLN A 14 1.283 -10.618 11.909 1.00 0.00 C ATOM 161 OE1 GLN A 14 2.091 -10.058 12.632 1.00 0.00 O ATOM 162 NE2 GLN A 14 1.220 -11.936 11.744 1.00 0.00 N ATOM 0 H GLN A 14 -2.110 -10.335 9.978 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.599 -8.311 9.097 1.00 0.00 H new ATOM 0 HB2 GLN A 14 0.235 -11.208 9.437 1.00 0.00 H new ATOM 0 HB3 GLN A 14 1.366 -9.881 9.265 1.00 0.00 H new ATOM 0 HG2 GLN A 14 0.367 -8.770 11.277 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -0.760 -10.101 11.450 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.518 -12.339 11.123 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.873 -12.544 12.238 1.00 0.00 H new ATOM 171 N VAL A 15 -0.482 -8.318 6.638 1.00 0.00 N ATOM 172 CA VAL A 15 -0.243 -8.267 5.206 1.00 0.00 C ATOM 173 C VAL A 15 1.159 -7.713 4.947 1.00 0.00 C ATOM 174 O VAL A 15 1.637 -6.852 5.685 1.00 0.00 O ATOM 175 CB VAL A 15 -1.344 -7.453 4.521 1.00 0.00 C ATOM 176 CG1 VAL A 15 -0.869 -6.921 3.167 1.00 0.00 C ATOM 177 CG2 VAL A 15 -2.622 -8.280 4.368 1.00 0.00 C ATOM 0 H VAL A 15 -0.712 -7.420 7.064 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.281 -9.268 4.776 1.00 0.00 H new ATOM 0 HB VAL A 15 -1.573 -6.597 5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.669 -6.346 2.701 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.001 -6.280 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.599 -7.757 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.388 -7.679 3.879 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.414 -9.163 3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.976 -8.588 5.352 1.00 0.00 H new ATOM 187 N THR A 16 1.779 -8.228 3.896 1.00 0.00 N ATOM 188 CA THR A 16 3.117 -7.796 3.530 1.00 0.00 C ATOM 189 C THR A 16 3.056 -6.786 2.382 1.00 0.00 C ATOM 190 O THR A 16 2.772 -7.152 1.242 1.00 0.00 O ATOM 191 CB THR A 16 3.943 -9.041 3.200 1.00 0.00 C ATOM 192 OG1 THR A 16 3.871 -9.829 4.385 1.00 0.00 O ATOM 193 CG2 THR A 16 5.434 -8.732 3.049 1.00 0.00 C ATOM 0 H THR A 16 1.379 -8.941 3.286 1.00 0.00 H new ATOM 0 HA THR A 16 3.603 -7.275 4.355 1.00 0.00 H new ATOM 0 HB THR A 16 3.570 -9.490 2.279 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.379 -10.657 4.258 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.974 -9.650 2.815 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.577 -8.012 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.815 -8.314 3.981 1.00 0.00 H new ATOM 201 N LEU A 17 3.328 -5.535 2.722 1.00 0.00 N ATOM 202 CA LEU A 17 3.307 -4.469 1.734 1.00 0.00 C ATOM 203 C LEU A 17 4.709 -4.299 1.145 1.00 0.00 C ATOM 204 O LEU A 17 5.566 -3.655 1.748 1.00 0.00 O ATOM 205 CB LEU A 17 2.736 -3.187 2.341 1.00 0.00 C ATOM 206 CG LEU A 17 1.343 -3.302 2.964 1.00 0.00 C ATOM 207 CD1 LEU A 17 1.008 -2.060 3.793 1.00 0.00 C ATOM 208 CD2 LEU A 17 0.285 -3.579 1.894 1.00 0.00 C ATOM 0 H LEU A 17 3.564 -5.235 3.668 1.00 0.00 H new ATOM 0 HA LEU A 17 2.643 -4.727 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.426 -2.832 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.703 -2.424 1.563 1.00 0.00 H new ATOM 0 HG LEU A 17 1.343 -4.153 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.013 -2.168 4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.740 -1.948 4.593 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.032 -1.178 3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.696 -3.656 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.278 -2.764 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.518 -4.514 1.385 1.00 0.00 H new ATOM 220 N ASN A 18 4.899 -4.887 -0.027 1.00 0.00 N ATOM 221 CA ASN A 18 6.182 -4.809 -0.705 1.00 0.00 C ATOM 222 C ASN A 18 6.257 -3.501 -1.495 1.00 0.00 C ATOM 223 O ASN A 18 5.753 -3.418 -2.614 1.00 0.00 O ATOM 224 CB ASN A 18 6.357 -5.967 -1.689 1.00 0.00 C ATOM 225 CG ASN A 18 6.125 -7.313 -0.999 1.00 0.00 C ATOM 226 OD1 ASN A 18 6.807 -7.682 -0.057 1.00 0.00 O ATOM 227 ND2 ASN A 18 5.129 -8.024 -1.520 1.00 0.00 N ATOM 0 H ASN A 18 4.186 -5.420 -0.525 1.00 0.00 H new ATOM 0 HA ASN A 18 6.966 -4.857 0.051 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.658 -5.854 -2.517 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.361 -5.940 -2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.896 -8.938 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.598 -7.656 -2.309 1.00 0.00 H new ATOM 234 N VAL A 19 6.890 -2.512 -0.882 1.00 0.00 N ATOM 235 CA VAL A 19 7.038 -1.212 -1.514 1.00 0.00 C ATOM 236 C VAL A 19 8.354 -1.175 -2.293 1.00 0.00 C ATOM 237 O VAL A 19 9.410 -1.494 -1.750 1.00 0.00 O ATOM 238 CB VAL A 19 6.934 -0.104 -0.464 1.00 0.00 C ATOM 239 CG1 VAL A 19 7.165 1.271 -1.093 1.00 0.00 C ATOM 240 CG2 VAL A 19 5.586 -0.158 0.258 1.00 0.00 C ATOM 0 H VAL A 19 7.307 -2.585 0.046 1.00 0.00 H new ATOM 0 HA VAL A 19 6.232 -1.041 -2.228 1.00 0.00 H new ATOM 0 HB VAL A 19 7.717 -0.269 0.276 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.086 2.040 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.159 1.305 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.415 1.449 -1.864 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.538 0.640 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.781 -0.031 -0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.478 -1.122 0.755 1.00 0.00 H new ATOM 250 N THR A 20 8.247 -0.784 -3.555 1.00 0.00 N ATOM 251 CA THR A 20 9.416 -0.701 -4.414 1.00 0.00 C ATOM 252 C THR A 20 9.593 0.725 -4.939 1.00 0.00 C ATOM 253 O THR A 20 8.941 1.120 -5.905 1.00 0.00 O ATOM 254 CB THR A 20 9.261 -1.743 -5.524 1.00 0.00 C ATOM 255 OG1 THR A 20 9.594 -2.976 -4.892 1.00 0.00 O ATOM 256 CG2 THR A 20 10.316 -1.590 -6.622 1.00 0.00 C ATOM 0 H THR A 20 7.369 -0.521 -4.003 1.00 0.00 H new ATOM 0 HA THR A 20 10.329 -0.925 -3.862 1.00 0.00 H new ATOM 0 HB THR A 20 8.266 -1.661 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.518 -3.707 -5.540 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.161 -2.353 -7.384 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.229 -0.602 -7.075 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.310 -1.705 -6.190 1.00 0.00 H new ATOM 264 N PHE A 21 10.477 1.459 -4.280 1.00 0.00 N ATOM 265 CA PHE A 21 10.747 2.833 -4.668 1.00 0.00 C ATOM 266 C PHE A 21 11.932 2.907 -5.633 1.00 0.00 C ATOM 267 O PHE A 21 13.077 2.706 -5.232 1.00 0.00 O ATOM 268 CB PHE A 21 11.097 3.598 -3.390 1.00 0.00 C ATOM 269 CG PHE A 21 11.415 5.077 -3.618 1.00 0.00 C ATOM 270 CD1 PHE A 21 10.798 5.759 -4.620 1.00 0.00 C ATOM 271 CD2 PHE A 21 12.315 5.710 -2.818 1.00 0.00 C ATOM 272 CE1 PHE A 21 11.093 7.131 -4.832 1.00 0.00 C ATOM 273 CE2 PHE A 21 12.610 7.083 -3.030 1.00 0.00 C ATOM 274 CZ PHE A 21 11.993 7.765 -4.032 1.00 0.00 C ATOM 0 H PHE A 21 11.016 1.128 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 21 9.877 3.256 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 21 10.264 3.519 -2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 21 11.955 3.121 -2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 21 10.083 5.256 -5.255 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.805 5.169 -2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.603 7.672 -5.628 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.325 7.586 -2.395 1.00 0.00 H new ATOM 0 HZ PHE A 21 12.217 8.809 -4.193 1.00 0.00 H new ATOM 284 N LYS A 22 11.615 3.195 -6.887 1.00 0.00 N ATOM 285 CA LYS A 22 12.639 3.298 -7.913 1.00 0.00 C ATOM 286 C LYS A 22 13.394 1.971 -8.009 1.00 0.00 C ATOM 287 O LYS A 22 12.997 1.080 -8.758 1.00 0.00 O ATOM 288 CB LYS A 22 13.545 4.503 -7.647 1.00 0.00 C ATOM 289 CG LYS A 22 12.748 5.808 -7.694 1.00 0.00 C ATOM 290 CD LYS A 22 13.681 7.021 -7.676 1.00 0.00 C ATOM 291 CE LYS A 22 14.394 7.145 -6.328 1.00 0.00 C ATOM 292 NZ LYS A 22 15.636 7.936 -6.469 1.00 0.00 N ATOM 0 H LYS A 22 10.664 3.360 -7.216 1.00 0.00 H new ATOM 0 HA LYS A 22 12.185 3.478 -8.887 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.020 4.397 -6.672 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.343 4.533 -8.388 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.133 5.831 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 22 12.069 5.854 -6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.418 6.929 -8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.109 7.927 -7.873 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.733 7.621 -5.603 1.00 0.00 H new ATOM 0 HE3 LYS A 22 14.629 6.153 -5.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.107 8.010 -5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.272 7.466 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.404 8.888 -6.816 1.00 0.00 H new ATOM 306 N ASN A 23 14.469 1.881 -7.240 1.00 0.00 N ATOM 307 CA ASN A 23 15.283 0.678 -7.229 1.00 0.00 C ATOM 308 C ASN A 23 15.355 0.128 -5.803 1.00 0.00 C ATOM 309 O ASN A 23 15.975 -0.906 -5.563 1.00 0.00 O ATOM 310 CB ASN A 23 16.711 0.974 -7.694 1.00 0.00 C ATOM 311 CG ASN A 23 17.622 -0.235 -7.472 1.00 0.00 C ATOM 312 OD1 ASN A 23 17.315 -1.354 -7.851 1.00 0.00 O ATOM 313 ND2 ASN A 23 18.755 0.051 -6.839 1.00 0.00 N ATOM 0 H ASN A 23 14.795 2.622 -6.620 1.00 0.00 H new ATOM 0 HA ASN A 23 14.826 -0.044 -7.906 1.00 0.00 H new ATOM 0 HB2 ASN A 23 16.705 1.240 -8.751 1.00 0.00 H new ATOM 0 HB3 ASN A 23 17.103 1.834 -7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.430 -0.688 -6.643 1.00 0.00 H new ATOM 0 HD22 ASN A 23 18.949 1.009 -6.549 1.00 0.00 H new ATOM 320 N GLU A 24 14.711 0.846 -4.894 1.00 0.00 N ATOM 321 CA GLU A 24 14.694 0.443 -3.498 1.00 0.00 C ATOM 322 C GLU A 24 13.456 -0.408 -3.206 1.00 0.00 C ATOM 323 O GLU A 24 12.351 -0.069 -3.629 1.00 0.00 O ATOM 324 CB GLU A 24 14.751 1.662 -2.575 1.00 0.00 C ATOM 325 CG GLU A 24 16.177 2.207 -2.476 1.00 0.00 C ATOM 326 CD GLU A 24 16.354 3.443 -3.360 1.00 0.00 C ATOM 327 OE1 GLU A 24 16.289 3.270 -4.597 1.00 0.00 O ATOM 328 OE2 GLU A 24 16.550 4.533 -2.780 1.00 0.00 O ATOM 0 H GLU A 24 14.198 1.704 -5.097 1.00 0.00 H new ATOM 0 HA GLU A 24 15.580 -0.161 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.086 2.439 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.392 1.389 -1.583 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.402 2.461 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.887 1.436 -2.776 1.00 0.00 H new ATOM 335 N ILE A 25 13.682 -1.497 -2.486 1.00 0.00 N ATOM 336 CA ILE A 25 12.599 -2.399 -2.133 1.00 0.00 C ATOM 337 C ILE A 25 12.462 -2.453 -0.610 1.00 0.00 C ATOM 338 O ILE A 25 13.460 -2.552 0.103 1.00 0.00 O ATOM 339 CB ILE A 25 12.809 -3.769 -2.781 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.720 -3.674 -4.305 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.832 -4.800 -2.213 1.00 0.00 C ATOM 342 CD1 ILE A 25 13.975 -4.249 -4.965 1.00 0.00 C ATOM 0 H ILE A 25 14.599 -1.775 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 25 11.652 -2.029 -2.526 1.00 0.00 H new ATOM 0 HB ILE A 25 13.815 -4.111 -2.538 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.841 -4.214 -4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.594 -2.633 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.003 -5.765 -2.691 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.987 -4.895 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.809 -4.476 -2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 25 13.886 -4.169 -6.048 1.00 0.00 H new ATOM 0 HD12 ILE A 25 14.850 -3.691 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.085 -5.297 -4.686 1.00 0.00 H new ATOM 354 N GLN A 26 11.219 -2.387 -0.156 1.00 0.00 N ATOM 355 CA GLN A 26 10.939 -2.427 1.269 1.00 0.00 C ATOM 356 C GLN A 26 9.675 -3.247 1.539 1.00 0.00 C ATOM 357 O GLN A 26 8.957 -3.611 0.609 1.00 0.00 O ATOM 358 CB GLN A 26 10.810 -1.015 1.843 1.00 0.00 C ATOM 359 CG GLN A 26 12.185 -0.424 2.160 1.00 0.00 C ATOM 360 CD GLN A 26 12.077 1.064 2.500 1.00 0.00 C ATOM 361 OE1 GLN A 26 12.843 1.891 2.034 1.00 0.00 O ATOM 362 NE2 GLN A 26 11.085 1.357 3.336 1.00 0.00 N ATOM 0 H GLN A 26 10.394 -2.306 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 26 11.777 -2.912 1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.291 -0.375 1.130 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.204 -1.041 2.748 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.631 -0.961 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.848 -0.558 1.306 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.480 0.616 3.689 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.929 2.323 3.624 1.00 0.00 H new ATOM 371 N SER A 27 9.442 -3.512 2.815 1.00 0.00 N ATOM 372 CA SER A 27 8.278 -4.282 3.219 1.00 0.00 C ATOM 373 C SER A 27 7.696 -3.711 4.514 1.00 0.00 C ATOM 374 O SER A 27 8.434 -3.216 5.365 1.00 0.00 O ATOM 375 CB SER A 27 8.630 -5.759 3.402 1.00 0.00 C ATOM 376 OG SER A 27 7.916 -6.348 4.486 1.00 0.00 O ATOM 0 H SER A 27 10.039 -3.207 3.583 1.00 0.00 H new ATOM 0 HA SER A 27 7.530 -4.210 2.429 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.406 -6.301 2.483 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.701 -5.857 3.578 1.00 0.00 H new ATOM 0 HG SER A 27 8.167 -7.292 4.569 1.00 0.00 H new ATOM 382 N PHE A 28 6.379 -3.798 4.623 1.00 0.00 N ATOM 383 CA PHE A 28 5.690 -3.296 5.800 1.00 0.00 C ATOM 384 C PHE A 28 4.543 -4.226 6.202 1.00 0.00 C ATOM 385 O PHE A 28 3.552 -4.342 5.482 1.00 0.00 O ATOM 386 CB PHE A 28 5.116 -1.927 5.432 1.00 0.00 C ATOM 387 CG PHE A 28 6.157 -0.935 4.908 1.00 0.00 C ATOM 388 CD1 PHE A 28 6.724 -1.127 3.687 1.00 0.00 C ATOM 389 CD2 PHE A 28 6.516 0.137 5.664 1.00 0.00 C ATOM 390 CE1 PHE A 28 7.691 -0.207 3.201 1.00 0.00 C ATOM 391 CE2 PHE A 28 7.482 1.057 5.179 1.00 0.00 C ATOM 392 CZ PHE A 28 8.049 0.866 3.957 1.00 0.00 C ATOM 0 H PHE A 28 5.770 -4.209 3.915 1.00 0.00 H new ATOM 0 HA PHE A 28 6.383 -3.234 6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 28 4.343 -2.060 4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.632 -1.500 6.310 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.439 -1.979 3.087 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.066 0.288 6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.142 -0.359 2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.767 1.908 5.780 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.783 1.566 3.587 1.00 0.00 H new ATOM 402 N LEU A 29 4.716 -4.863 7.350 1.00 0.00 N ATOM 403 CA LEU A 29 3.707 -5.779 7.857 1.00 0.00 C ATOM 404 C LEU A 29 2.574 -4.977 8.500 1.00 0.00 C ATOM 405 O LEU A 29 2.824 -4.053 9.272 1.00 0.00 O ATOM 406 CB LEU A 29 4.341 -6.809 8.794 1.00 0.00 C ATOM 407 CG LEU A 29 3.494 -8.044 9.104 1.00 0.00 C ATOM 408 CD1 LEU A 29 3.542 -9.046 7.949 1.00 0.00 C ATOM 409 CD2 LEU A 29 3.915 -8.679 10.431 1.00 0.00 C ATOM 0 H LEU A 29 5.539 -4.764 7.944 1.00 0.00 H new ATOM 0 HA LEU A 29 3.268 -6.353 7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.282 -7.139 8.355 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.584 -6.314 9.734 1.00 0.00 H new ATOM 0 HG LEU A 29 2.457 -7.728 9.213 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.931 -9.915 8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.157 -8.577 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.572 -9.362 7.784 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.297 -9.555 10.627 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.962 -8.978 10.375 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.787 -7.956 11.237 1.00 0.00 H new ATOM 421 N VAL A 30 1.353 -5.361 8.158 1.00 0.00 N ATOM 422 CA VAL A 30 0.180 -4.689 8.693 1.00 0.00 C ATOM 423 C VAL A 30 -0.729 -5.719 9.367 1.00 0.00 C ATOM 424 O VAL A 30 -1.542 -6.362 8.705 1.00 0.00 O ATOM 425 CB VAL A 30 -0.524 -3.904 7.585 1.00 0.00 C ATOM 426 CG1 VAL A 30 -1.404 -2.798 8.171 1.00 0.00 C ATOM 427 CG2 VAL A 30 0.488 -3.331 6.591 1.00 0.00 C ATOM 0 H VAL A 30 1.150 -6.128 7.517 1.00 0.00 H new ATOM 0 HA VAL A 30 0.469 -3.963 9.453 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.170 -4.595 7.044 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.893 -2.255 7.362 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.160 -3.240 8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.787 -2.110 8.749 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.039 -2.778 5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.172 -2.662 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.053 -4.145 6.137 1.00 0.00 H new ATOM 437 N SER A 31 -0.560 -5.844 10.675 1.00 0.00 N ATOM 438 CA SER A 31 -1.356 -6.784 11.446 1.00 0.00 C ATOM 439 C SER A 31 -2.805 -6.300 11.528 1.00 0.00 C ATOM 440 O SER A 31 -3.683 -7.033 11.981 1.00 0.00 O ATOM 441 CB SER A 31 -0.779 -6.973 12.850 1.00 0.00 C ATOM 442 OG SER A 31 -1.477 -7.974 13.585 1.00 0.00 O ATOM 0 H SER A 31 0.116 -5.310 11.221 1.00 0.00 H new ATOM 0 HA SER A 31 -1.331 -7.749 10.939 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.274 -7.246 12.775 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.825 -6.028 13.391 1.00 0.00 H new ATOM 0 HG SER A 31 -2.412 -8.002 13.293 1.00 0.00 H new ATOM 448 N ASP A 32 -3.010 -5.070 11.083 1.00 0.00 N ATOM 449 CA ASP A 32 -4.338 -4.479 11.100 1.00 0.00 C ATOM 450 C ASP A 32 -4.552 -3.678 9.814 1.00 0.00 C ATOM 451 O ASP A 32 -4.617 -2.450 9.847 1.00 0.00 O ATOM 452 CB ASP A 32 -4.500 -3.525 12.284 1.00 0.00 C ATOM 453 CG ASP A 32 -3.298 -2.617 12.554 1.00 0.00 C ATOM 454 OD1 ASP A 32 -2.164 -3.126 12.429 1.00 0.00 O ATOM 455 OD2 ASP A 32 -3.541 -1.435 12.878 1.00 0.00 O ATOM 0 H ASP A 32 -2.279 -4.465 10.708 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.066 -5.286 11.185 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.376 -2.900 12.110 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.700 -4.113 13.180 1.00 0.00 H new ATOM 460 N PRO A 33 -4.658 -4.425 8.683 1.00 0.00 N ATOM 461 CA PRO A 33 -4.863 -3.797 7.388 1.00 0.00 C ATOM 462 C PRO A 33 -6.304 -3.305 7.240 1.00 0.00 C ATOM 463 O PRO A 33 -6.624 -2.585 6.296 1.00 0.00 O ATOM 464 CB PRO A 33 -4.492 -4.863 6.371 1.00 0.00 C ATOM 465 CG PRO A 33 -4.540 -6.187 7.117 1.00 0.00 C ATOM 466 CD PRO A 33 -4.585 -5.881 8.605 1.00 0.00 C ATOM 0 HA PRO A 33 -4.252 -2.905 7.251 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.188 -4.862 5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -3.499 -4.682 5.960 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.417 -6.762 6.819 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.665 -6.792 6.878 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.449 -6.347 9.079 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.699 -6.261 9.114 1.00 0.00 H new ATOM 474 N GLU A 34 -7.136 -3.713 8.187 1.00 0.00 N ATOM 475 CA GLU A 34 -8.535 -3.323 8.174 1.00 0.00 C ATOM 476 C GLU A 34 -8.810 -2.296 9.274 1.00 0.00 C ATOM 477 O GLU A 34 -9.773 -1.536 9.191 1.00 0.00 O ATOM 478 CB GLU A 34 -9.446 -4.543 8.322 1.00 0.00 C ATOM 479 CG GLU A 34 -8.747 -5.658 9.103 1.00 0.00 C ATOM 480 CD GLU A 34 -9.708 -6.814 9.387 1.00 0.00 C ATOM 481 OE1 GLU A 34 -10.928 -6.589 9.233 1.00 0.00 O ATOM 482 OE2 GLU A 34 -9.200 -7.897 9.752 1.00 0.00 O ATOM 0 H GLU A 34 -6.867 -4.310 8.969 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.754 -2.862 7.211 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.364 -4.256 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.732 -4.909 7.336 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.891 -6.023 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.361 -5.262 10.042 1.00 0.00 H new ATOM 489 N ASN A 35 -7.947 -2.308 10.279 1.00 0.00 N ATOM 490 CA ASN A 35 -8.085 -1.387 11.395 1.00 0.00 C ATOM 491 C ASN A 35 -7.318 -0.100 11.086 1.00 0.00 C ATOM 492 O ASN A 35 -7.738 0.988 11.479 1.00 0.00 O ATOM 493 CB ASN A 35 -7.506 -1.986 12.678 1.00 0.00 C ATOM 494 CG ASN A 35 -8.465 -1.793 13.854 1.00 0.00 C ATOM 495 OD1 ASN A 35 -8.381 -0.837 14.608 1.00 0.00 O ATOM 496 ND2 ASN A 35 -9.380 -2.751 13.969 1.00 0.00 N ATOM 0 H ASN A 35 -7.150 -2.941 10.344 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.147 -1.187 11.538 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.313 -3.049 12.532 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.549 -1.516 12.904 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.067 -2.713 14.722 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.395 -3.524 13.304 1.00 0.00 H new ATOM 503 N THR A 36 -6.206 -0.265 10.384 1.00 0.00 N ATOM 504 CA THR A 36 -5.376 0.870 10.018 1.00 0.00 C ATOM 505 C THR A 36 -5.988 1.617 8.832 1.00 0.00 C ATOM 506 O THR A 36 -6.896 1.110 8.175 1.00 0.00 O ATOM 507 CB THR A 36 -3.962 0.354 9.747 1.00 0.00 C ATOM 508 OG1 THR A 36 -3.129 1.489 9.969 1.00 0.00 O ATOM 509 CG2 THR A 36 -3.737 0.010 8.273 1.00 0.00 C ATOM 0 H THR A 36 -5.861 -1.168 10.059 1.00 0.00 H new ATOM 0 HA THR A 36 -5.322 1.598 10.827 1.00 0.00 H new ATOM 0 HB THR A 36 -3.775 -0.528 10.359 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.193 1.243 9.817 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.718 -0.351 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.441 -0.765 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.892 0.901 7.664 1.00 0.00 H new ATOM 517 N THR A 37 -5.467 2.812 8.593 1.00 0.00 N ATOM 518 CA THR A 37 -5.951 3.634 7.497 1.00 0.00 C ATOM 519 C THR A 37 -4.856 3.819 6.445 1.00 0.00 C ATOM 520 O THR A 37 -3.670 3.713 6.754 1.00 0.00 O ATOM 521 CB THR A 37 -6.459 4.953 8.084 1.00 0.00 C ATOM 522 OG1 THR A 37 -5.271 5.687 8.367 1.00 0.00 O ATOM 523 CG2 THR A 37 -7.118 4.769 9.452 1.00 0.00 C ATOM 0 H THR A 37 -4.714 3.230 9.140 1.00 0.00 H new ATOM 0 HA THR A 37 -6.779 3.152 6.977 1.00 0.00 H new ATOM 0 HB THR A 37 -7.172 5.406 7.395 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.508 6.558 8.750 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.461 5.735 9.824 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.968 4.094 9.358 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.395 4.347 10.150 1.00 0.00 H new ATOM 531 N TRP A 38 -5.292 4.092 5.224 1.00 0.00 N ATOM 532 CA TRP A 38 -4.364 4.293 4.125 1.00 0.00 C ATOM 533 C TRP A 38 -3.451 5.467 4.485 1.00 0.00 C ATOM 534 O TRP A 38 -2.247 5.421 4.237 1.00 0.00 O ATOM 535 CB TRP A 38 -5.112 4.500 2.807 1.00 0.00 C ATOM 536 CG TRP A 38 -4.225 4.986 1.658 1.00 0.00 C ATOM 537 CD1 TRP A 38 -4.347 6.112 0.941 1.00 0.00 C ATOM 538 CD2 TRP A 38 -3.070 4.310 1.119 1.00 0.00 C ATOM 539 NE1 TRP A 38 -3.358 6.211 -0.016 1.00 0.00 N ATOM 540 CE2 TRP A 38 -2.556 5.081 0.095 1.00 0.00 C ATOM 541 CE3 TRP A 38 -2.477 3.089 1.484 1.00 0.00 C ATOM 542 CZ2 TRP A 38 -1.427 4.715 -0.647 1.00 0.00 C ATOM 543 CZ3 TRP A 38 -1.350 2.738 0.732 1.00 0.00 C ATOM 544 CH2 TRP A 38 -0.820 3.502 -0.301 1.00 0.00 C ATOM 0 H TRP A 38 -6.277 4.179 4.972 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.748 3.407 3.974 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -5.583 3.561 2.517 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.913 5.222 2.965 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -5.122 6.849 1.093 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.237 6.974 -0.683 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -2.861 2.470 2.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.045 5.335 -1.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.857 1.807 0.971 1.00 0.00 H new ATOM 0 HH2 TRP A 38 0.056 3.162 -0.834 1.00 0.00 H new ATOM 555 N ALA A 39 -4.059 6.492 5.064 1.00 0.00 N ATOM 556 CA ALA A 39 -3.317 7.676 5.461 1.00 0.00 C ATOM 557 C ALA A 39 -2.102 7.256 6.292 1.00 0.00 C ATOM 558 O ALA A 39 -1.029 7.845 6.171 1.00 0.00 O ATOM 559 CB ALA A 39 -4.242 8.629 6.220 1.00 0.00 C ATOM 0 H ALA A 39 -5.058 6.527 5.268 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.949 8.210 4.585 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.685 9.517 6.518 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.072 8.920 5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.630 8.130 7.108 1.00 0.00 H new ATOM 565 N ASP A 40 -2.313 6.242 7.119 1.00 0.00 N ATOM 566 CA ASP A 40 -1.249 5.737 7.970 1.00 0.00 C ATOM 567 C ASP A 40 -0.196 5.042 7.105 1.00 0.00 C ATOM 568 O ASP A 40 1.000 5.286 7.261 1.00 0.00 O ATOM 569 CB ASP A 40 -1.786 4.714 8.974 1.00 0.00 C ATOM 570 CG ASP A 40 -1.919 5.226 10.409 1.00 0.00 C ATOM 571 OD1 ASP A 40 -1.135 6.132 10.764 1.00 0.00 O ATOM 572 OD2 ASP A 40 -2.803 4.700 11.120 1.00 0.00 O ATOM 0 H ASP A 40 -3.205 5.757 7.218 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.819 6.581 8.509 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.764 4.372 8.634 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.127 3.846 8.973 1.00 0.00 H new ATOM 577 N ILE A 41 -0.678 4.191 6.211 1.00 0.00 N ATOM 578 CA ILE A 41 0.207 3.459 5.321 1.00 0.00 C ATOM 579 C ILE A 41 1.053 4.452 4.521 1.00 0.00 C ATOM 580 O ILE A 41 2.281 4.420 4.585 1.00 0.00 O ATOM 581 CB ILE A 41 -0.593 2.490 4.448 1.00 0.00 C ATOM 582 CG1 ILE A 41 -1.424 1.536 5.309 1.00 0.00 C ATOM 583 CG2 ILE A 41 0.325 1.738 3.482 1.00 0.00 C ATOM 584 CD1 ILE A 41 -0.531 0.506 6.005 1.00 0.00 C ATOM 0 H ILE A 41 -1.670 3.992 6.084 1.00 0.00 H new ATOM 0 HA ILE A 41 0.897 2.840 5.894 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.291 3.070 3.844 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.979 2.104 6.055 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.158 1.025 4.686 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.268 1.056 2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 41 0.835 2.452 2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.063 1.170 4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.147 -0.159 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.005 -0.077 5.256 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.186 1.020 6.646 1.00 0.00 H new ATOM 596 N GLU A 42 0.362 5.310 3.784 1.00 0.00 N ATOM 597 CA GLU A 42 1.034 6.310 2.972 1.00 0.00 C ATOM 598 C GLU A 42 2.201 6.925 3.747 1.00 0.00 C ATOM 599 O GLU A 42 3.347 6.865 3.302 1.00 0.00 O ATOM 600 CB GLU A 42 0.054 7.389 2.509 1.00 0.00 C ATOM 601 CG GLU A 42 0.610 8.156 1.308 1.00 0.00 C ATOM 602 CD GLU A 42 -0.358 8.099 0.124 1.00 0.00 C ATOM 603 OE1 GLU A 42 -1.480 8.626 0.283 1.00 0.00 O ATOM 604 OE2 GLU A 42 0.046 7.529 -0.913 1.00 0.00 O ATOM 0 H GLU A 42 -0.656 5.333 3.732 1.00 0.00 H new ATOM 0 HA GLU A 42 1.431 5.821 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.898 6.930 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.143 8.081 3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.789 9.195 1.586 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.572 7.734 1.016 1.00 0.00 H new ATOM 611 N ALA A 43 1.871 7.503 4.892 1.00 0.00 N ATOM 612 CA ALA A 43 2.877 8.129 5.732 1.00 0.00 C ATOM 613 C ALA A 43 3.892 7.074 6.178 1.00 0.00 C ATOM 614 O ALA A 43 5.093 7.236 5.971 1.00 0.00 O ATOM 615 CB ALA A 43 2.197 8.820 6.916 1.00 0.00 C ATOM 0 H ALA A 43 0.920 7.551 5.258 1.00 0.00 H new ATOM 0 HA ALA A 43 3.419 8.894 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.952 9.290 7.546 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.508 9.580 6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.645 8.083 7.499 1.00 0.00 H new ATOM 621 N MET A 44 3.370 6.015 6.780 1.00 0.00 N ATOM 622 CA MET A 44 4.215 4.933 7.256 1.00 0.00 C ATOM 623 C MET A 44 5.317 4.612 6.245 1.00 0.00 C ATOM 624 O MET A 44 6.422 4.227 6.626 1.00 0.00 O ATOM 625 CB MET A 44 3.362 3.686 7.495 1.00 0.00 C ATOM 626 CG MET A 44 4.160 2.608 8.231 1.00 0.00 C ATOM 627 SD MET A 44 3.103 1.224 8.621 1.00 0.00 S ATOM 628 CE MET A 44 2.859 0.550 6.986 1.00 0.00 C ATOM 0 H MET A 44 2.373 5.883 6.949 1.00 0.00 H new ATOM 0 HA MET A 44 4.684 5.247 8.188 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.479 3.951 8.077 1.00 0.00 H new ATOM 0 HB3 MET A 44 3.009 3.294 6.541 1.00 0.00 H new ATOM 0 HG2 MET A 44 4.994 2.276 7.613 1.00 0.00 H new ATOM 0 HG3 MET A 44 4.585 3.020 9.146 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.369 -0.421 7.062 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.235 1.227 6.403 1.00 0.00 H new ATOM 0 HE3 MET A 44 3.824 0.431 6.494 1.00 0.00 H new ATOM 638 N VAL A 45 4.979 4.783 4.975 1.00 0.00 N ATOM 639 CA VAL A 45 5.926 4.516 3.906 1.00 0.00 C ATOM 640 C VAL A 45 6.761 5.772 3.646 1.00 0.00 C ATOM 641 O VAL A 45 7.988 5.704 3.586 1.00 0.00 O ATOM 642 CB VAL A 45 5.185 4.023 2.662 1.00 0.00 C ATOM 643 CG1 VAL A 45 6.118 3.976 1.450 1.00 0.00 C ATOM 644 CG2 VAL A 45 4.542 2.657 2.912 1.00 0.00 C ATOM 0 H VAL A 45 4.062 5.103 4.663 1.00 0.00 H new ATOM 0 HA VAL A 45 6.614 3.721 4.194 1.00 0.00 H new ATOM 0 HB VAL A 45 4.388 4.734 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.566 3.622 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.507 4.975 1.252 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.946 3.298 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.022 2.330 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.315 1.932 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 45 3.831 2.735 3.734 1.00 0.00 H new ATOM 654 N LYS A 46 6.063 6.888 3.497 1.00 0.00 N ATOM 655 CA LYS A 46 6.725 8.156 3.245 1.00 0.00 C ATOM 656 C LYS A 46 7.765 8.411 4.338 1.00 0.00 C ATOM 657 O LYS A 46 8.875 8.857 4.053 1.00 0.00 O ATOM 658 CB LYS A 46 5.696 9.279 3.101 1.00 0.00 C ATOM 659 CG LYS A 46 4.782 9.035 1.899 1.00 0.00 C ATOM 660 CD LYS A 46 3.510 9.879 1.996 1.00 0.00 C ATOM 661 CE LYS A 46 3.842 11.372 2.022 1.00 0.00 C ATOM 662 NZ LYS A 46 3.511 11.999 0.723 1.00 0.00 N ATOM 0 H LYS A 46 5.046 6.940 3.546 1.00 0.00 H new ATOM 0 HA LYS A 46 7.261 8.123 2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.097 9.347 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.209 10.234 2.985 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.314 9.277 0.979 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.518 7.979 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.860 9.662 1.148 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.959 9.610 2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.284 11.861 2.821 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.901 11.511 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.564 13.034 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.188 11.679 0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.548 11.725 0.441 1.00 0.00 H new ATOM 676 N VAL A 47 7.367 8.117 5.568 1.00 0.00 N ATOM 677 CA VAL A 47 8.250 8.309 6.706 1.00 0.00 C ATOM 678 C VAL A 47 9.390 7.290 6.638 1.00 0.00 C ATOM 679 O VAL A 47 10.526 7.600 6.995 1.00 0.00 O ATOM 680 CB VAL A 47 7.451 8.227 8.008 1.00 0.00 C ATOM 681 CG1 VAL A 47 6.576 9.468 8.193 1.00 0.00 C ATOM 682 CG2 VAL A 47 6.609 6.950 8.055 1.00 0.00 C ATOM 0 H VAL A 47 6.445 7.747 5.801 1.00 0.00 H new ATOM 0 HA VAL A 47 8.699 9.302 6.679 1.00 0.00 H new ATOM 0 HB VAL A 47 8.160 8.191 8.835 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.019 9.384 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.207 10.356 8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.878 9.549 7.359 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.051 6.916 8.991 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.912 6.942 7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.263 6.080 7.991 1.00 0.00 H new ATOM 692 N SER A 48 9.047 6.096 6.179 1.00 0.00 N ATOM 693 CA SER A 48 10.027 5.030 6.060 1.00 0.00 C ATOM 694 C SER A 48 11.041 5.370 4.966 1.00 0.00 C ATOM 695 O SER A 48 12.218 5.032 5.079 1.00 0.00 O ATOM 696 CB SER A 48 9.351 3.691 5.759 1.00 0.00 C ATOM 697 OG SER A 48 9.505 2.762 6.829 1.00 0.00 O ATOM 0 H SER A 48 8.104 5.843 5.885 1.00 0.00 H new ATOM 0 HA SER A 48 10.548 4.937 7.013 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.290 3.855 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.774 3.268 4.848 1.00 0.00 H new ATOM 0 HG SER A 48 9.253 1.866 6.523 1.00 0.00 H new ATOM 703 N PHE A 49 10.547 6.036 3.933 1.00 0.00 N ATOM 704 CA PHE A 49 11.396 6.426 2.820 1.00 0.00 C ATOM 705 C PHE A 49 11.775 7.906 2.912 1.00 0.00 C ATOM 706 O PHE A 49 12.444 8.435 2.026 1.00 0.00 O ATOM 707 CB PHE A 49 10.588 6.198 1.540 1.00 0.00 C ATOM 708 CG PHE A 49 10.601 4.749 1.047 1.00 0.00 C ATOM 709 CD1 PHE A 49 11.600 4.318 0.230 1.00 0.00 C ATOM 710 CD2 PHE A 49 9.615 3.893 1.425 1.00 0.00 C ATOM 711 CE1 PHE A 49 11.612 2.974 -0.228 1.00 0.00 C ATOM 712 CE2 PHE A 49 9.627 2.549 0.967 1.00 0.00 C ATOM 713 CZ PHE A 49 10.625 2.118 0.150 1.00 0.00 C ATOM 0 H PHE A 49 9.570 6.315 3.843 1.00 0.00 H new ATOM 0 HA PHE A 49 12.316 5.841 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.556 6.503 1.715 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.982 6.842 0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 49 12.384 4.998 -0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.822 4.235 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.405 2.632 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.844 1.869 1.267 1.00 0.00 H new ATOM 0 HZ PHE A 49 10.634 1.096 -0.199 1.00 0.00 H new ATOM 723 N ASP A 50 11.330 8.532 3.991 1.00 0.00 N ATOM 724 CA ASP A 50 11.614 9.940 4.210 1.00 0.00 C ATOM 725 C ASP A 50 11.222 10.735 2.963 1.00 0.00 C ATOM 726 O ASP A 50 12.082 11.292 2.282 1.00 0.00 O ATOM 727 CB ASP A 50 13.105 10.167 4.467 1.00 0.00 C ATOM 728 CG ASP A 50 13.447 11.482 5.171 1.00 0.00 C ATOM 729 OD1 ASP A 50 12.950 11.665 6.303 1.00 0.00 O ATOM 730 OD2 ASP A 50 14.199 12.273 4.562 1.00 0.00 O ATOM 0 H ASP A 50 10.775 8.090 4.723 1.00 0.00 H new ATOM 0 HA ASP A 50 11.044 10.268 5.079 1.00 0.00 H new ATOM 0 HB2 ASP A 50 13.485 9.341 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.632 10.135 3.513 1.00 0.00 H new ATOM 735 N LEU A 51 9.924 10.762 2.702 1.00 0.00 N ATOM 736 CA LEU A 51 9.407 11.480 1.549 1.00 0.00 C ATOM 737 C LEU A 51 8.317 12.452 2.005 1.00 0.00 C ATOM 738 O LEU A 51 7.760 12.300 3.091 1.00 0.00 O ATOM 739 CB LEU A 51 8.945 10.499 0.470 1.00 0.00 C ATOM 740 CG LEU A 51 9.964 9.439 0.047 1.00 0.00 C ATOM 741 CD1 LEU A 51 9.281 8.287 -0.694 1.00 0.00 C ATOM 742 CD2 LEU A 51 11.092 10.061 -0.778 1.00 0.00 C ATOM 0 H LEU A 51 9.214 10.298 3.269 1.00 0.00 H new ATOM 0 HA LEU A 51 10.194 12.077 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.049 9.991 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 51 8.656 11.070 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 51 10.416 9.021 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 51 10.027 7.547 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.543 7.821 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.786 8.671 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.802 9.286 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 51 10.676 10.522 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 51 11.603 10.819 -0.183 1.00 0.00 H new ATOM 754 N ASN A 52 8.044 13.428 1.151 1.00 0.00 N ATOM 755 CA ASN A 52 7.030 14.424 1.453 1.00 0.00 C ATOM 756 C ASN A 52 5.785 14.149 0.608 1.00 0.00 C ATOM 757 O ASN A 52 4.665 14.187 1.116 1.00 0.00 O ATOM 758 CB ASN A 52 7.526 15.833 1.120 1.00 0.00 C ATOM 759 CG ASN A 52 6.571 16.894 1.669 1.00 0.00 C ATOM 760 OD1 ASN A 52 5.780 16.650 2.565 1.00 0.00 O ATOM 761 ND2 ASN A 52 6.689 18.083 1.084 1.00 0.00 N ATOM 0 H ASN A 52 8.507 13.550 0.250 1.00 0.00 H new ATOM 0 HA ASN A 52 6.804 14.364 2.518 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.521 15.981 1.541 1.00 0.00 H new ATOM 0 HB3 ASN A 52 7.617 15.945 0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.096 18.858 1.380 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.372 18.219 0.339 1.00 0.00 H new ATOM 768 N THR A 53 6.021 13.879 -0.667 1.00 0.00 N ATOM 769 CA THR A 53 4.932 13.598 -1.587 1.00 0.00 C ATOM 770 C THR A 53 5.235 12.340 -2.404 1.00 0.00 C ATOM 771 O THR A 53 6.252 12.273 -3.093 1.00 0.00 O ATOM 772 CB THR A 53 4.708 14.842 -2.448 1.00 0.00 C ATOM 773 OG1 THR A 53 6.022 15.334 -2.697 1.00 0.00 O ATOM 774 CG2 THR A 53 4.026 15.974 -1.675 1.00 0.00 C ATOM 0 H THR A 53 6.951 13.849 -1.085 1.00 0.00 H new ATOM 0 HA THR A 53 4.007 13.385 -1.051 1.00 0.00 H new ATOM 0 HB THR A 53 4.103 14.579 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.608 14.590 -2.948 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.891 16.833 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.054 15.635 -1.316 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.647 16.261 -0.826 1.00 0.00 H new ATOM 782 N ILE A 54 4.334 11.374 -2.301 1.00 0.00 N ATOM 783 CA ILE A 54 4.492 10.123 -3.021 1.00 0.00 C ATOM 784 C ILE A 54 3.133 9.674 -3.561 1.00 0.00 C ATOM 785 O ILE A 54 2.094 10.158 -3.114 1.00 0.00 O ATOM 786 CB ILE A 54 5.178 9.079 -2.138 1.00 0.00 C ATOM 787 CG1 ILE A 54 4.165 8.377 -1.231 1.00 0.00 C ATOM 788 CG2 ILE A 54 6.325 9.703 -1.341 1.00 0.00 C ATOM 789 CD1 ILE A 54 4.821 7.229 -0.462 1.00 0.00 C ATOM 0 H ILE A 54 3.492 11.433 -1.729 1.00 0.00 H new ATOM 0 HA ILE A 54 5.147 10.260 -3.881 1.00 0.00 H new ATOM 0 HB ILE A 54 5.613 8.317 -2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.742 9.095 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.340 7.993 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.795 8.939 -0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.062 10.118 -2.028 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.936 10.497 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 54 4.079 6.747 0.175 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.222 6.501 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.630 7.620 0.155 1.00 0.00 H new ATOM 801 N GLN A 55 3.184 8.756 -4.514 1.00 0.00 N ATOM 802 CA GLN A 55 1.969 8.237 -5.119 1.00 0.00 C ATOM 803 C GLN A 55 2.046 6.714 -5.243 1.00 0.00 C ATOM 804 O GLN A 55 2.046 6.176 -6.349 1.00 0.00 O ATOM 805 CB GLN A 55 1.715 8.885 -6.481 1.00 0.00 C ATOM 806 CG GLN A 55 0.215 9.030 -6.748 1.00 0.00 C ATOM 807 CD GLN A 55 -0.446 9.922 -5.695 1.00 0.00 C ATOM 808 OE1 GLN A 55 -0.027 11.040 -5.440 1.00 0.00 O ATOM 809 NE2 GLN A 55 -1.498 9.368 -5.100 1.00 0.00 N ATOM 0 H GLN A 55 4.048 8.358 -4.883 1.00 0.00 H new ATOM 0 HA GLN A 55 1.129 8.487 -4.471 1.00 0.00 H new ATOM 0 HB2 GLN A 55 2.191 9.865 -6.516 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.171 8.281 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.058 9.454 -7.740 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.255 8.047 -6.744 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.795 8.428 -5.361 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.008 9.883 -4.382 1.00 0.00 H new ATOM 818 N ILE A 56 2.110 6.061 -4.091 1.00 0.00 N ATOM 819 CA ILE A 56 2.187 4.610 -4.057 1.00 0.00 C ATOM 820 C ILE A 56 1.311 4.031 -5.169 1.00 0.00 C ATOM 821 O ILE A 56 0.331 4.651 -5.579 1.00 0.00 O ATOM 822 CB ILE A 56 1.836 4.088 -2.662 1.00 0.00 C ATOM 823 CG1 ILE A 56 2.816 4.621 -1.614 1.00 0.00 C ATOM 824 CG2 ILE A 56 1.761 2.560 -2.652 1.00 0.00 C ATOM 825 CD1 ILE A 56 2.110 4.870 -0.280 1.00 0.00 C ATOM 0 H ILE A 56 2.110 6.510 -3.175 1.00 0.00 H new ATOM 0 HA ILE A 56 3.207 4.278 -4.249 1.00 0.00 H new ATOM 0 HB ILE A 56 0.847 4.461 -2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.627 3.906 -1.473 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.266 5.548 -1.970 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.510 2.215 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.994 2.229 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.725 2.146 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.829 5.248 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.316 5.603 -0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.682 3.936 0.085 1.00 0.00 H new ATOM 837 N LYS A 57 1.696 2.848 -5.625 1.00 0.00 N ATOM 838 CA LYS A 57 0.957 2.177 -6.682 1.00 0.00 C ATOM 839 C LYS A 57 1.167 0.666 -6.566 1.00 0.00 C ATOM 840 O LYS A 57 2.300 0.188 -6.615 1.00 0.00 O ATOM 841 CB LYS A 57 1.341 2.748 -8.049 1.00 0.00 C ATOM 842 CG LYS A 57 0.612 4.066 -8.317 1.00 0.00 C ATOM 843 CD LYS A 57 0.332 4.244 -9.810 1.00 0.00 C ATOM 844 CE LYS A 57 0.553 5.696 -10.240 1.00 0.00 C ATOM 845 NZ LYS A 57 1.522 5.764 -11.357 1.00 0.00 N ATOM 0 H LYS A 57 2.509 2.337 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.112 2.359 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.418 2.909 -8.090 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.096 2.028 -8.830 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.326 4.086 -7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.214 4.899 -7.954 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.983 3.587 -10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.694 3.948 -10.029 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.395 6.139 -10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.920 6.280 -9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.661 6.756 -11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.431 5.360 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.156 5.224 -12.167 1.00 0.00 H new ATOM 859 N TYR A 58 0.059 -0.043 -6.413 1.00 0.00 N ATOM 860 CA TYR A 58 0.107 -1.490 -6.289 1.00 0.00 C ATOM 861 C TYR A 58 -0.483 -2.166 -7.528 1.00 0.00 C ATOM 862 O TYR A 58 -1.460 -1.683 -8.098 1.00 0.00 O ATOM 863 CB TYR A 58 -0.754 -1.838 -5.073 1.00 0.00 C ATOM 864 CG TYR A 58 -2.251 -1.923 -5.376 1.00 0.00 C ATOM 865 CD1 TYR A 58 -2.761 -3.025 -6.031 1.00 0.00 C ATOM 866 CD2 TYR A 58 -3.092 -0.898 -4.993 1.00 0.00 C ATOM 867 CE1 TYR A 58 -4.171 -3.106 -6.316 1.00 0.00 C ATOM 868 CE2 TYR A 58 -4.501 -0.978 -5.277 1.00 0.00 C ATOM 869 CZ TYR A 58 -4.971 -2.078 -5.925 1.00 0.00 C ATOM 870 OH TYR A 58 -6.302 -2.154 -6.193 1.00 0.00 O ATOM 0 H TYR A 58 -0.878 0.358 -6.372 1.00 0.00 H new ATOM 0 HA TYR A 58 1.136 -1.832 -6.184 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.421 -2.793 -4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.592 -1.088 -4.299 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -2.103 -3.827 -6.330 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -2.693 -0.035 -4.480 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -4.583 -3.963 -6.828 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.170 -0.183 -4.982 1.00 0.00 H new ATOM 0 HH TYR A 58 -6.463 -2.858 -6.855 1.00 0.00 H new ATOM 880 N LEU A 59 0.136 -3.275 -7.909 1.00 0.00 N ATOM 881 CA LEU A 59 -0.316 -4.023 -9.070 1.00 0.00 C ATOM 882 C LEU A 59 -1.563 -4.828 -8.698 1.00 0.00 C ATOM 883 O LEU A 59 -1.549 -5.591 -7.733 1.00 0.00 O ATOM 884 CB LEU A 59 0.822 -4.875 -9.634 1.00 0.00 C ATOM 885 CG LEU A 59 1.751 -4.179 -10.630 1.00 0.00 C ATOM 886 CD1 LEU A 59 2.685 -5.186 -11.304 1.00 0.00 C ATOM 887 CD2 LEU A 59 0.952 -3.367 -11.650 1.00 0.00 C ATOM 0 H LEU A 59 0.946 -3.673 -7.434 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.603 -3.345 -9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.423 -5.240 -8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.388 -5.748 -10.121 1.00 0.00 H new ATOM 0 HG LEU A 59 2.377 -3.477 -10.080 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.335 -4.665 -12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.293 -5.682 -10.547 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.094 -5.929 -11.839 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.637 -2.883 -12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.284 -4.030 -12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.365 -2.609 -11.132 1.00 0.00 H new ATOM 899 N ASP A 60 -2.611 -4.632 -9.484 1.00 0.00 N ATOM 900 CA ASP A 60 -3.864 -5.330 -9.250 1.00 0.00 C ATOM 901 C ASP A 60 -3.761 -6.752 -9.806 1.00 0.00 C ATOM 902 O ASP A 60 -2.663 -7.285 -9.959 1.00 0.00 O ATOM 903 CB ASP A 60 -5.026 -4.629 -9.956 1.00 0.00 C ATOM 904 CG ASP A 60 -6.270 -4.411 -9.093 1.00 0.00 C ATOM 905 OD1 ASP A 60 -7.042 -5.384 -8.953 1.00 0.00 O ATOM 906 OD2 ASP A 60 -6.420 -3.275 -8.592 1.00 0.00 O ATOM 0 H ASP A 60 -2.618 -3.999 -10.284 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.049 -5.340 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -4.680 -3.661 -10.319 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -5.307 -5.216 -10.831 1.00 0.00 H new ATOM 911 N GLU A 61 -4.920 -7.326 -10.093 1.00 0.00 N ATOM 912 CA GLU A 61 -4.974 -8.676 -10.629 1.00 0.00 C ATOM 913 C GLU A 61 -4.811 -8.650 -12.150 1.00 0.00 C ATOM 914 O GLU A 61 -5.053 -9.652 -12.821 1.00 0.00 O ATOM 915 CB GLU A 61 -6.276 -9.372 -10.229 1.00 0.00 C ATOM 916 CG GLU A 61 -6.264 -9.747 -8.746 1.00 0.00 C ATOM 917 CD GLU A 61 -6.815 -11.159 -8.532 1.00 0.00 C ATOM 918 OE1 GLU A 61 -5.999 -12.103 -8.604 1.00 0.00 O ATOM 919 OE2 GLU A 61 -8.039 -11.261 -8.303 1.00 0.00 O ATOM 0 H GLU A 61 -5.829 -6.881 -9.965 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.149 -9.248 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.122 -8.716 -10.435 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.414 -10.269 -10.833 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.246 -9.688 -8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.861 -9.031 -8.181 1.00 0.00 H new ATOM 926 N GLU A 62 -4.402 -7.493 -12.650 1.00 0.00 N ATOM 927 CA GLU A 62 -4.204 -7.324 -14.079 1.00 0.00 C ATOM 928 C GLU A 62 -2.777 -6.853 -14.365 1.00 0.00 C ATOM 929 O GLU A 62 -2.422 -6.596 -15.515 1.00 0.00 O ATOM 930 CB GLU A 62 -5.230 -6.350 -14.664 1.00 0.00 C ATOM 931 CG GLU A 62 -6.653 -6.887 -14.495 1.00 0.00 C ATOM 932 CD GLU A 62 -7.501 -6.589 -15.733 1.00 0.00 C ATOM 933 OE1 GLU A 62 -7.254 -7.254 -16.763 1.00 0.00 O ATOM 934 OE2 GLU A 62 -8.377 -5.705 -15.622 1.00 0.00 O ATOM 0 H GLU A 62 -4.202 -6.664 -12.091 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.351 -8.290 -14.563 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.141 -5.382 -14.170 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.022 -6.188 -15.722 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.622 -7.963 -14.321 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.114 -6.436 -13.616 1.00 0.00 H new ATOM 941 N ASN A 63 -1.996 -6.754 -13.300 1.00 0.00 N ATOM 942 CA ASN A 63 -0.615 -6.319 -13.421 1.00 0.00 C ATOM 943 C ASN A 63 -0.583 -4.826 -13.757 1.00 0.00 C ATOM 944 O ASN A 63 0.373 -4.343 -14.361 1.00 0.00 O ATOM 945 CB ASN A 63 0.103 -7.071 -14.544 1.00 0.00 C ATOM 946 CG ASN A 63 1.592 -7.232 -14.231 1.00 0.00 C ATOM 947 OD1 ASN A 63 2.293 -6.285 -13.919 1.00 0.00 O ATOM 948 ND2 ASN A 63 2.033 -8.483 -14.332 1.00 0.00 N ATOM 0 H ASN A 63 -2.294 -6.968 -12.348 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.114 -6.520 -12.474 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.352 -8.052 -14.678 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.019 -6.532 -15.483 1.00 0.00 H new ATOM 0 HD21 ASN A 63 3.013 -8.695 -14.143 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.391 -9.230 -14.598 1.00 0.00 H new ATOM 955 N GLU A 64 -1.639 -4.138 -13.350 1.00 0.00 N ATOM 956 CA GLU A 64 -1.744 -2.711 -13.600 1.00 0.00 C ATOM 957 C GLU A 64 -1.546 -1.928 -12.300 1.00 0.00 C ATOM 958 O GLU A 64 -2.214 -2.196 -11.302 1.00 0.00 O ATOM 959 CB GLU A 64 -3.086 -2.365 -14.249 1.00 0.00 C ATOM 960 CG GLU A 64 -3.094 -2.749 -15.730 1.00 0.00 C ATOM 961 CD GLU A 64 -4.462 -2.478 -16.359 1.00 0.00 C ATOM 962 OE1 GLU A 64 -5.465 -2.881 -15.732 1.00 0.00 O ATOM 963 OE2 GLU A 64 -4.473 -1.874 -17.454 1.00 0.00 O ATOM 0 H GLU A 64 -2.430 -4.542 -12.849 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.956 -2.425 -14.297 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.890 -2.887 -13.730 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.280 -1.297 -14.145 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.328 -2.184 -16.260 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.843 -3.804 -15.837 1.00 0.00 H new ATOM 970 N GLU A 65 -0.625 -0.977 -12.353 1.00 0.00 N ATOM 971 CA GLU A 65 -0.331 -0.155 -11.193 1.00 0.00 C ATOM 972 C GLU A 65 -1.593 0.570 -10.722 1.00 0.00 C ATOM 973 O GLU A 65 -2.248 1.257 -11.504 1.00 0.00 O ATOM 974 CB GLU A 65 0.791 0.840 -11.496 1.00 0.00 C ATOM 975 CG GLU A 65 2.152 0.142 -11.517 1.00 0.00 C ATOM 976 CD GLU A 65 3.277 1.141 -11.800 1.00 0.00 C ATOM 977 OE1 GLU A 65 3.010 2.094 -12.564 1.00 0.00 O ATOM 978 OE2 GLU A 65 4.377 0.929 -11.247 1.00 0.00 O ATOM 0 H GLU A 65 -0.073 -0.758 -13.182 1.00 0.00 H new ATOM 0 HA GLU A 65 0.012 -0.806 -10.389 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.608 1.317 -12.459 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.795 1.629 -10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.328 -0.348 -10.559 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.153 -0.638 -12.279 1.00 0.00 H new ATOM 985 N VAL A 66 -1.898 0.391 -9.445 1.00 0.00 N ATOM 986 CA VAL A 66 -3.071 1.019 -8.860 1.00 0.00 C ATOM 987 C VAL A 66 -2.637 1.922 -7.703 1.00 0.00 C ATOM 988 O VAL A 66 -2.063 1.449 -6.723 1.00 0.00 O ATOM 989 CB VAL A 66 -4.081 -0.050 -8.438 1.00 0.00 C ATOM 990 CG1 VAL A 66 -5.314 0.586 -7.792 1.00 0.00 C ATOM 991 CG2 VAL A 66 -4.477 -0.930 -9.625 1.00 0.00 C ATOM 0 H VAL A 66 -1.353 -0.180 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.573 1.650 -9.594 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.603 -0.687 -7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.016 -0.195 -7.501 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.012 1.150 -6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.793 1.257 -8.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.196 -1.681 -9.297 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.927 -0.312 -10.402 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.591 -1.425 -10.023 1.00 0.00 H new ATOM 1001 N SER A 67 -2.928 3.205 -7.855 1.00 0.00 N ATOM 1002 CA SER A 67 -2.576 4.178 -6.836 1.00 0.00 C ATOM 1003 C SER A 67 -3.717 4.315 -5.826 1.00 0.00 C ATOM 1004 O SER A 67 -4.885 4.369 -6.208 1.00 0.00 O ATOM 1005 CB SER A 67 -2.253 5.538 -7.460 1.00 0.00 C ATOM 1006 OG SER A 67 -3.428 6.306 -7.702 1.00 0.00 O ATOM 0 H SER A 67 -3.404 3.593 -8.669 1.00 0.00 H new ATOM 0 HA SER A 67 -1.683 3.824 -6.320 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.588 6.092 -6.798 1.00 0.00 H new ATOM 0 HB3 SER A 67 -1.718 5.389 -8.398 1.00 0.00 H new ATOM 0 HG SER A 67 -3.180 7.167 -8.099 1.00 0.00 H new ATOM 1012 N ILE A 68 -3.339 4.369 -4.557 1.00 0.00 N ATOM 1013 CA ILE A 68 -4.316 4.499 -3.490 1.00 0.00 C ATOM 1014 C ILE A 68 -4.302 5.935 -2.963 1.00 0.00 C ATOM 1015 O ILE A 68 -3.237 6.499 -2.717 1.00 0.00 O ATOM 1016 CB ILE A 68 -4.072 3.444 -2.409 1.00 0.00 C ATOM 1017 CG1 ILE A 68 -4.080 2.035 -3.005 1.00 0.00 C ATOM 1018 CG2 ILE A 68 -5.078 3.588 -1.265 1.00 0.00 C ATOM 1019 CD1 ILE A 68 -3.611 1.003 -1.978 1.00 0.00 C ATOM 0 H ILE A 68 -2.369 4.325 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.320 4.308 -3.868 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.080 3.610 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.085 1.785 -3.344 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.431 2.003 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.882 2.826 -0.510 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -4.980 4.577 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.089 3.464 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.626 0.010 -2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.596 1.242 -1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.276 1.021 -1.115 1.00 0.00 H new ATOM 1031 N ASN A 69 -5.496 6.486 -2.806 1.00 0.00 N ATOM 1032 CA ASN A 69 -5.635 7.845 -2.312 1.00 0.00 C ATOM 1033 C ASN A 69 -6.392 7.827 -0.983 1.00 0.00 C ATOM 1034 O ASN A 69 -6.046 8.558 -0.057 1.00 0.00 O ATOM 1035 CB ASN A 69 -6.426 8.710 -3.295 1.00 0.00 C ATOM 1036 CG ASN A 69 -5.488 9.560 -4.156 1.00 0.00 C ATOM 1037 OD1 ASN A 69 -5.306 10.746 -3.936 1.00 0.00 O ATOM 1038 ND2 ASN A 69 -4.905 8.889 -5.145 1.00 0.00 N ATOM 0 H ASN A 69 -6.377 6.015 -3.012 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.635 8.262 -2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.036 8.073 -3.936 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.109 9.358 -2.746 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.261 9.367 -5.775 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.102 7.896 -5.273 1.00 0.00 H new ATOM 1045 N SER A 70 -7.412 6.982 -0.932 1.00 0.00 N ATOM 1046 CA SER A 70 -8.222 6.859 0.268 1.00 0.00 C ATOM 1047 C SER A 70 -8.129 5.434 0.817 1.00 0.00 C ATOM 1048 O SER A 70 -7.336 4.628 0.332 1.00 0.00 O ATOM 1049 CB SER A 70 -9.680 7.227 -0.011 1.00 0.00 C ATOM 1050 OG SER A 70 -10.196 8.136 0.958 1.00 0.00 O ATOM 0 H SER A 70 -7.696 6.376 -1.702 1.00 0.00 H new ATOM 0 HA SER A 70 -7.837 7.555 1.014 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.758 7.672 -1.003 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.287 6.322 -0.019 1.00 0.00 H new ATOM 0 HG SER A 70 -11.129 8.348 0.744 1.00 0.00 H new ATOM 1056 N GLN A 71 -8.951 5.166 1.821 1.00 0.00 N ATOM 1057 CA GLN A 71 -8.973 3.852 2.441 1.00 0.00 C ATOM 1058 C GLN A 71 -9.631 2.835 1.507 1.00 0.00 C ATOM 1059 O GLN A 71 -9.038 1.806 1.187 1.00 0.00 O ATOM 1060 CB GLN A 71 -9.686 3.896 3.794 1.00 0.00 C ATOM 1061 CG GLN A 71 -9.762 2.501 4.419 1.00 0.00 C ATOM 1062 CD GLN A 71 -8.649 2.300 5.449 1.00 0.00 C ATOM 1063 OE1 GLN A 71 -8.856 2.380 6.649 1.00 0.00 O ATOM 1064 NE2 GLN A 71 -7.460 2.034 4.916 1.00 0.00 N ATOM 0 H GLN A 71 -9.607 5.837 2.221 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.944 3.539 2.620 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.157 4.571 4.466 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.692 4.297 3.666 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.733 2.365 4.896 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.681 1.744 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.356 1.981 3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.652 1.883 5.520 1.00 0.00 H new ATOM 1073 N GLY A 72 -10.848 3.158 1.096 1.00 0.00 N ATOM 1074 CA GLY A 72 -11.594 2.286 0.205 1.00 0.00 C ATOM 1075 C GLY A 72 -10.671 1.644 -0.833 1.00 0.00 C ATOM 1076 O GLY A 72 -10.698 0.430 -1.027 1.00 0.00 O ATOM 0 H GLY A 72 -11.337 4.012 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -12.092 1.509 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -12.374 2.857 -0.300 1.00 0.00 H new ATOM 1080 N GLU A 73 -9.876 2.489 -1.473 1.00 0.00 N ATOM 1081 CA GLU A 73 -8.946 2.019 -2.486 1.00 0.00 C ATOM 1082 C GLU A 73 -8.031 0.938 -1.908 1.00 0.00 C ATOM 1083 O GLU A 73 -7.912 -0.148 -2.474 1.00 0.00 O ATOM 1084 CB GLU A 73 -8.129 3.179 -3.060 1.00 0.00 C ATOM 1085 CG GLU A 73 -8.685 3.624 -4.414 1.00 0.00 C ATOM 1086 CD GLU A 73 -7.769 4.660 -5.069 1.00 0.00 C ATOM 1087 OE1 GLU A 73 -7.285 5.540 -4.325 1.00 0.00 O ATOM 1088 OE2 GLU A 73 -7.575 4.549 -6.299 1.00 0.00 O ATOM 0 H GLU A 73 -9.857 3.496 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.520 1.582 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -8.143 4.018 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.088 2.875 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -8.790 2.760 -5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.681 4.046 -4.281 1.00 0.00 H new ATOM 1095 N TYR A 74 -7.410 1.272 -0.786 1.00 0.00 N ATOM 1096 CA TYR A 74 -6.509 0.343 -0.125 1.00 0.00 C ATOM 1097 C TYR A 74 -7.231 -0.958 0.235 1.00 0.00 C ATOM 1098 O TYR A 74 -6.764 -2.045 -0.103 1.00 0.00 O ATOM 1099 CB TYR A 74 -6.061 1.035 1.164 1.00 0.00 C ATOM 1100 CG TYR A 74 -5.017 0.251 1.961 1.00 0.00 C ATOM 1101 CD1 TYR A 74 -4.145 -0.598 1.309 1.00 0.00 C ATOM 1102 CD2 TYR A 74 -4.946 0.392 3.332 1.00 0.00 C ATOM 1103 CE1 TYR A 74 -3.163 -1.337 2.059 1.00 0.00 C ATOM 1104 CE2 TYR A 74 -3.963 -0.346 4.082 1.00 0.00 C ATOM 1105 CZ TYR A 74 -3.120 -1.174 3.409 1.00 0.00 C ATOM 1106 OH TYR A 74 -2.192 -1.871 4.117 1.00 0.00 O ATOM 0 H TYR A 74 -7.513 2.173 -0.318 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.673 0.090 -0.777 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.653 2.015 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.933 1.204 1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.200 -0.708 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.628 1.056 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.476 -2.006 1.561 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.897 -0.244 5.155 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.277 -1.655 5.069 1.00 0.00 H new ATOM 1116 N GLU A 75 -8.358 -0.804 0.914 1.00 0.00 N ATOM 1117 CA GLU A 75 -9.148 -1.953 1.322 1.00 0.00 C ATOM 1118 C GLU A 75 -9.168 -3.005 0.212 1.00 0.00 C ATOM 1119 O GLU A 75 -8.620 -4.095 0.375 1.00 0.00 O ATOM 1120 CB GLU A 75 -10.569 -1.533 1.705 1.00 0.00 C ATOM 1121 CG GLU A 75 -10.570 -0.723 3.003 1.00 0.00 C ATOM 1122 CD GLU A 75 -11.607 -1.267 3.987 1.00 0.00 C ATOM 1123 OE1 GLU A 75 -12.778 -0.844 3.870 1.00 0.00 O ATOM 1124 OE2 GLU A 75 -11.206 -2.093 4.835 1.00 0.00 O ATOM 0 H GLU A 75 -8.743 0.099 1.192 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.684 -2.393 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.006 -0.940 0.902 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.194 -2.418 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.580 -0.756 3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.785 0.323 2.783 1.00 0.00 H new ATOM 1131 N GLU A 76 -9.804 -2.643 -0.892 1.00 0.00 N ATOM 1132 CA GLU A 76 -9.902 -3.543 -2.029 1.00 0.00 C ATOM 1133 C GLU A 76 -8.553 -4.213 -2.293 1.00 0.00 C ATOM 1134 O GLU A 76 -8.480 -5.430 -2.453 1.00 0.00 O ATOM 1135 CB GLU A 76 -10.401 -2.803 -3.272 1.00 0.00 C ATOM 1136 CG GLU A 76 -11.857 -2.366 -3.103 1.00 0.00 C ATOM 1137 CD GLU A 76 -12.784 -3.190 -3.999 1.00 0.00 C ATOM 1138 OE1 GLU A 76 -12.632 -4.431 -3.985 1.00 0.00 O ATOM 1139 OE2 GLU A 76 -13.624 -2.561 -4.679 1.00 0.00 O ATOM 0 H GLU A 76 -10.257 -1.739 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.630 -4.319 -1.792 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.775 -1.930 -3.456 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.311 -3.449 -4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.156 -2.480 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.954 -1.308 -3.348 1.00 0.00 H new ATOM 1146 N ALA A 77 -7.516 -3.388 -2.331 1.00 0.00 N ATOM 1147 CA ALA A 77 -6.173 -3.886 -2.574 1.00 0.00 C ATOM 1148 C ALA A 77 -5.841 -4.968 -1.545 1.00 0.00 C ATOM 1149 O ALA A 77 -5.284 -6.009 -1.891 1.00 0.00 O ATOM 1150 CB ALA A 77 -5.182 -2.720 -2.535 1.00 0.00 C ATOM 0 H ALA A 77 -7.579 -2.379 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.104 -4.340 -3.563 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.174 -3.093 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.445 -1.993 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.221 -2.242 -1.556 1.00 0.00 H new ATOM 1156 N LEU A 78 -6.196 -4.685 -0.300 1.00 0.00 N ATOM 1157 CA LEU A 78 -5.943 -5.622 0.782 1.00 0.00 C ATOM 1158 C LEU A 78 -6.664 -6.939 0.489 1.00 0.00 C ATOM 1159 O LEU A 78 -6.161 -8.012 0.817 1.00 0.00 O ATOM 1160 CB LEU A 78 -6.320 -5.000 2.128 1.00 0.00 C ATOM 1161 CG LEU A 78 -5.296 -4.036 2.732 1.00 0.00 C ATOM 1162 CD1 LEU A 78 -5.894 -3.273 3.916 1.00 0.00 C ATOM 1163 CD2 LEU A 78 -4.010 -4.771 3.114 1.00 0.00 C ATOM 0 H LEU A 78 -6.657 -3.820 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.879 -5.849 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.264 -4.468 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.496 -5.805 2.841 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.032 -3.299 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.146 -2.595 4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.758 -2.700 3.580 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.204 -3.980 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.299 -4.063 3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.237 -5.544 3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.576 -5.230 2.226 1.00 0.00 H new ATOM 1175 N LYS A 79 -7.832 -6.814 -0.124 1.00 0.00 N ATOM 1176 CA LYS A 79 -8.627 -7.981 -0.464 1.00 0.00 C ATOM 1177 C LYS A 79 -7.878 -8.819 -1.502 1.00 0.00 C ATOM 1178 O LYS A 79 -8.032 -10.039 -1.549 1.00 0.00 O ATOM 1179 CB LYS A 79 -10.030 -7.563 -0.910 1.00 0.00 C ATOM 1180 CG LYS A 79 -10.632 -6.544 0.060 1.00 0.00 C ATOM 1181 CD LYS A 79 -12.125 -6.345 -0.210 1.00 0.00 C ATOM 1182 CE LYS A 79 -12.935 -6.450 1.083 1.00 0.00 C ATOM 1183 NZ LYS A 79 -13.878 -7.589 1.012 1.00 0.00 N ATOM 0 H LYS A 79 -8.247 -5.922 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.770 -8.612 0.413 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.985 -7.135 -1.911 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -10.674 -8.441 -0.967 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.486 -6.883 1.086 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -10.111 -5.592 -0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.288 -5.369 -0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.472 -7.093 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.263 -6.579 1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -13.485 -5.524 1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.420 -7.646 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.531 -7.450 0.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.346 -8.472 0.874 1.00 0.00 H new ATOM 1197 N MET A 80 -7.081 -8.132 -2.308 1.00 0.00 N ATOM 1198 CA MET A 80 -6.307 -8.798 -3.341 1.00 0.00 C ATOM 1199 C MET A 80 -5.038 -9.423 -2.759 1.00 0.00 C ATOM 1200 O MET A 80 -4.645 -10.520 -3.152 1.00 0.00 O ATOM 1201 CB MET A 80 -5.928 -7.787 -4.426 1.00 0.00 C ATOM 1202 CG MET A 80 -5.516 -8.498 -5.717 1.00 0.00 C ATOM 1203 SD MET A 80 -4.601 -7.379 -6.764 1.00 0.00 S ATOM 1204 CE MET A 80 -2.938 -7.742 -6.226 1.00 0.00 C ATOM 0 H MET A 80 -6.955 -7.121 -2.266 1.00 0.00 H new ATOM 0 HA MET A 80 -6.917 -9.593 -3.770 1.00 0.00 H new ATOM 0 HB2 MET A 80 -6.772 -7.126 -4.624 1.00 0.00 H new ATOM 0 HB3 MET A 80 -5.109 -7.160 -4.074 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.906 -9.371 -5.483 1.00 0.00 H new ATOM 0 HG3 MET A 80 -6.401 -8.859 -6.242 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.397 -6.810 -6.063 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.972 -8.310 -5.296 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.428 -8.328 -6.990 1.00 0.00 H new ATOM 1214 N ALA A 81 -4.432 -8.697 -1.831 1.00 0.00 N ATOM 1215 CA ALA A 81 -3.215 -9.166 -1.190 1.00 0.00 C ATOM 1216 C ALA A 81 -3.450 -10.568 -0.623 1.00 0.00 C ATOM 1217 O ALA A 81 -2.581 -11.433 -0.718 1.00 0.00 O ATOM 1218 CB ALA A 81 -2.786 -8.167 -0.115 1.00 0.00 C ATOM 0 H ALA A 81 -4.761 -7.787 -1.508 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.403 -9.235 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.873 -8.519 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.603 -7.195 -0.574 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.576 -8.073 0.631 1.00 0.00 H new ATOM 1224 N VAL A 82 -4.630 -10.748 -0.047 1.00 0.00 N ATOM 1225 CA VAL A 82 -4.990 -12.030 0.535 1.00 0.00 C ATOM 1226 C VAL A 82 -4.883 -13.119 -0.535 1.00 0.00 C ATOM 1227 O VAL A 82 -4.380 -14.209 -0.267 1.00 0.00 O ATOM 1228 CB VAL A 82 -6.381 -11.945 1.166 1.00 0.00 C ATOM 1229 CG1 VAL A 82 -6.822 -13.307 1.705 1.00 0.00 C ATOM 1230 CG2 VAL A 82 -6.422 -10.881 2.264 1.00 0.00 C ATOM 0 H VAL A 82 -5.348 -10.028 0.029 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.300 -12.294 1.336 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.084 -11.649 0.388 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.814 -13.219 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -6.852 -14.029 0.889 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.115 -13.645 2.462 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.422 -10.842 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.701 -11.133 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.172 -9.909 1.838 1.00 0.00 H new ATOM 1240 N LYS A 83 -5.365 -12.785 -1.723 1.00 0.00 N ATOM 1241 CA LYS A 83 -5.330 -13.721 -2.834 1.00 0.00 C ATOM 1242 C LYS A 83 -3.879 -14.109 -3.123 1.00 0.00 C ATOM 1243 O LYS A 83 -3.568 -15.289 -3.283 1.00 0.00 O ATOM 1244 CB LYS A 83 -6.066 -13.143 -4.045 1.00 0.00 C ATOM 1245 CG LYS A 83 -7.550 -12.933 -3.736 1.00 0.00 C ATOM 1246 CD LYS A 83 -8.398 -13.080 -5.001 1.00 0.00 C ATOM 1247 CE LYS A 83 -9.187 -11.799 -5.283 1.00 0.00 C ATOM 1248 NZ LYS A 83 -10.622 -11.997 -4.981 1.00 0.00 N ATOM 0 H LYS A 83 -5.782 -11.880 -1.940 1.00 0.00 H new ATOM 0 HA LYS A 83 -5.860 -14.638 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -5.613 -12.194 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.960 -13.817 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.876 -13.657 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.699 -11.942 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.754 -13.310 -5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.086 -13.918 -4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.792 -10.981 -4.680 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.065 -11.512 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.143 -11.118 -5.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.999 -12.763 -5.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.734 -12.249 -3.978 1.00 0.00 H new ATOM 1262 N GLN A 84 -3.029 -13.094 -3.182 1.00 0.00 N ATOM 1263 CA GLN A 84 -1.618 -13.314 -3.449 1.00 0.00 C ATOM 1264 C GLN A 84 -1.015 -14.238 -2.389 1.00 0.00 C ATOM 1265 O GLN A 84 -0.526 -15.320 -2.709 1.00 0.00 O ATOM 1266 CB GLN A 84 -0.859 -11.987 -3.517 1.00 0.00 C ATOM 1267 CG GLN A 84 -1.640 -10.950 -4.327 1.00 0.00 C ATOM 1268 CD GLN A 84 -0.752 -10.307 -5.395 1.00 0.00 C ATOM 1269 OE1 GLN A 84 -0.209 -10.966 -6.266 1.00 0.00 O ATOM 1270 NE2 GLN A 84 -0.637 -8.988 -5.279 1.00 0.00 N ATOM 0 H GLN A 84 -3.291 -12.117 -3.049 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.523 -13.798 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -0.686 -11.611 -2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 84 0.119 -12.146 -3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.499 -11.425 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -2.029 -10.180 -3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.119 -8.498 -4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.067 -8.465 -5.944 1.00 0.00 H new ATOM 1279 N GLY A 85 -1.068 -13.776 -1.148 1.00 0.00 N ATOM 1280 CA GLY A 85 -0.533 -14.546 -0.039 1.00 0.00 C ATOM 1281 C GLY A 85 -0.257 -13.649 1.169 1.00 0.00 C ATOM 1282 O GLY A 85 0.787 -13.768 1.809 1.00 0.00 O ATOM 0 H GLY A 85 -1.474 -12.877 -0.887 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.239 -15.329 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.388 -15.041 -0.346 1.00 0.00 H new ATOM 1286 N ASN A 86 -1.211 -12.773 1.445 1.00 0.00 N ATOM 1287 CA ASN A 86 -1.084 -11.856 2.566 1.00 0.00 C ATOM 1288 C ASN A 86 0.021 -10.841 2.266 1.00 0.00 C ATOM 1289 O ASN A 86 0.687 -10.355 3.179 1.00 0.00 O ATOM 1290 CB ASN A 86 -0.706 -12.602 3.847 1.00 0.00 C ATOM 1291 CG ASN A 86 -1.597 -13.829 4.050 1.00 0.00 C ATOM 1292 OD1 ASN A 86 -1.264 -14.939 3.668 1.00 0.00 O ATOM 1293 ND2 ASN A 86 -2.743 -13.569 4.671 1.00 0.00 N ATOM 0 H ASN A 86 -2.076 -12.678 0.912 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.044 -11.360 2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.338 -12.911 3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -0.801 -11.934 4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.406 -14.322 4.854 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.959 -12.616 4.964 1.00 0.00 H new ATOM 1300 N GLN A 87 0.183 -10.552 0.983 1.00 0.00 N ATOM 1301 CA GLN A 87 1.196 -9.604 0.552 1.00 0.00 C ATOM 1302 C GLN A 87 0.692 -8.799 -0.648 1.00 0.00 C ATOM 1303 O GLN A 87 -0.198 -9.245 -1.371 1.00 0.00 O ATOM 1304 CB GLN A 87 2.509 -10.316 0.222 1.00 0.00 C ATOM 1305 CG GLN A 87 2.351 -11.215 -1.007 1.00 0.00 C ATOM 1306 CD GLN A 87 2.720 -10.462 -2.287 1.00 0.00 C ATOM 1307 OE1 GLN A 87 3.095 -9.302 -2.269 1.00 0.00 O ATOM 1308 NE2 GLN A 87 2.591 -11.186 -3.396 1.00 0.00 N ATOM 0 H GLN A 87 -0.370 -10.958 0.228 1.00 0.00 H new ATOM 0 HA GLN A 87 1.392 -8.913 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.291 -9.579 0.040 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.827 -10.914 1.076 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.986 -12.095 -0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 87 1.322 -11.570 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 87 2.272 -12.153 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.812 -10.774 -4.303 1.00 0.00 H new ATOM 1317 N LEU A 88 1.284 -7.626 -0.824 1.00 0.00 N ATOM 1318 CA LEU A 88 0.907 -6.755 -1.923 1.00 0.00 C ATOM 1319 C LEU A 88 2.158 -6.077 -2.484 1.00 0.00 C ATOM 1320 O LEU A 88 3.039 -5.668 -1.728 1.00 0.00 O ATOM 1321 CB LEU A 88 -0.179 -5.772 -1.480 1.00 0.00 C ATOM 1322 CG LEU A 88 -0.892 -5.011 -2.599 1.00 0.00 C ATOM 1323 CD1 LEU A 88 -1.508 -5.977 -3.613 1.00 0.00 C ATOM 1324 CD2 LEU A 88 -1.930 -4.041 -2.029 1.00 0.00 C ATOM 0 H LEU A 88 2.022 -7.259 -0.223 1.00 0.00 H new ATOM 0 HA LEU A 88 0.468 -7.335 -2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.927 -6.321 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.271 -5.046 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 88 -0.151 -4.414 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.009 -5.410 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.723 -6.591 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.232 -6.619 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.422 -3.513 -2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.673 -4.597 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.436 -3.321 -1.377 1.00 0.00 H new ATOM 1336 N GLN A 89 2.198 -5.978 -3.804 1.00 0.00 N ATOM 1337 CA GLN A 89 3.328 -5.357 -4.475 1.00 0.00 C ATOM 1338 C GLN A 89 3.021 -3.889 -4.782 1.00 0.00 C ATOM 1339 O GLN A 89 2.303 -3.588 -5.734 1.00 0.00 O ATOM 1340 CB GLN A 89 3.695 -6.118 -5.750 1.00 0.00 C ATOM 1341 CG GLN A 89 5.101 -6.714 -5.646 1.00 0.00 C ATOM 1342 CD GLN A 89 6.169 -5.629 -5.802 1.00 0.00 C ATOM 1343 OE1 GLN A 89 6.591 -4.996 -4.848 1.00 0.00 O ATOM 1344 NE2 GLN A 89 6.579 -5.449 -7.054 1.00 0.00 N ATOM 0 H GLN A 89 1.466 -6.317 -4.428 1.00 0.00 H new ATOM 0 HA GLN A 89 4.189 -5.397 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 89 2.971 -6.914 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 89 3.643 -5.446 -6.607 1.00 0.00 H new ATOM 0 HG2 GLN A 89 5.219 -7.210 -4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 89 5.235 -7.475 -6.415 1.00 0.00 H new ATOM 0 HE21 GLN A 89 6.184 -6.013 -7.806 1.00 0.00 H new ATOM 0 HE22 GLN A 89 7.289 -4.746 -7.262 1.00 0.00 H new ATOM 1353 N MET A 90 3.581 -3.016 -3.958 1.00 0.00 N ATOM 1354 CA MET A 90 3.377 -1.588 -4.130 1.00 0.00 C ATOM 1355 C MET A 90 4.653 -0.907 -4.628 1.00 0.00 C ATOM 1356 O MET A 90 5.758 -1.356 -4.328 1.00 0.00 O ATOM 1357 CB MET A 90 2.955 -0.968 -2.795 1.00 0.00 C ATOM 1358 CG MET A 90 1.683 -1.630 -2.261 1.00 0.00 C ATOM 1359 SD MET A 90 1.555 -1.373 -0.500 1.00 0.00 S ATOM 1360 CE MET A 90 0.230 -0.178 -0.456 1.00 0.00 C ATOM 0 H MET A 90 4.176 -3.270 -3.169 1.00 0.00 H new ATOM 0 HA MET A 90 2.595 -1.439 -4.874 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.760 -1.079 -2.068 1.00 0.00 H new ATOM 0 HB3 MET A 90 2.786 0.101 -2.924 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.809 -1.214 -2.762 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.699 -2.697 -2.481 1.00 0.00 H new ATOM 0 HE1 MET A 90 0.611 0.774 -0.086 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.172 -0.043 -1.460 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.560 -0.534 0.205 1.00 0.00 H new ATOM 1370 N GLN A 91 4.458 0.165 -5.382 1.00 0.00 N ATOM 1371 CA GLN A 91 5.579 0.912 -5.925 1.00 0.00 C ATOM 1372 C GLN A 91 5.441 2.398 -5.588 1.00 0.00 C ATOM 1373 O GLN A 91 4.467 3.039 -5.981 1.00 0.00 O ATOM 1374 CB GLN A 91 5.698 0.701 -7.436 1.00 0.00 C ATOM 1375 CG GLN A 91 6.415 -0.613 -7.752 1.00 0.00 C ATOM 1376 CD GLN A 91 6.476 -0.856 -9.261 1.00 0.00 C ATOM 1377 OE1 GLN A 91 7.232 -0.232 -9.987 1.00 0.00 O ATOM 1378 NE2 GLN A 91 5.638 -1.795 -9.692 1.00 0.00 N ATOM 0 H GLN A 91 3.540 0.534 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 91 6.495 0.539 -5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 91 4.705 0.694 -7.885 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.244 1.533 -7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.425 -0.587 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 91 5.896 -1.440 -7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 91 5.031 -2.280 -9.031 1.00 0.00 H new ATOM 0 HE22 GLN A 91 5.602 -2.030 -10.684 1.00 0.00 H new ATOM 1387 N VAL A 92 6.429 2.902 -4.864 1.00 0.00 N ATOM 1388 CA VAL A 92 6.430 4.301 -4.470 1.00 0.00 C ATOM 1389 C VAL A 92 6.716 5.171 -5.695 1.00 0.00 C ATOM 1390 O VAL A 92 7.595 4.854 -6.495 1.00 0.00 O ATOM 1391 CB VAL A 92 7.428 4.523 -3.332 1.00 0.00 C ATOM 1392 CG1 VAL A 92 8.037 5.925 -3.403 1.00 0.00 C ATOM 1393 CG2 VAL A 92 6.771 4.279 -1.972 1.00 0.00 C ATOM 0 H VAL A 92 7.235 2.367 -4.540 1.00 0.00 H new ATOM 0 HA VAL A 92 5.452 4.591 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 92 8.236 3.800 -3.449 1.00 0.00 H new ATOM 0 HG11 VAL A 92 8.743 6.057 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.557 6.048 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.245 6.670 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 92 7.502 4.443 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.935 4.967 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.407 3.253 -1.923 1.00 0.00 H new ATOM 1403 N HIS A 93 5.957 6.252 -5.804 1.00 0.00 N ATOM 1404 CA HIS A 93 6.119 7.171 -6.918 1.00 0.00 C ATOM 1405 C HIS A 93 6.053 8.612 -6.408 1.00 0.00 C ATOM 1406 O HIS A 93 4.968 9.150 -6.193 1.00 0.00 O ATOM 1407 CB HIS A 93 5.090 6.882 -8.013 1.00 0.00 C ATOM 1408 CG HIS A 93 5.451 5.716 -8.903 1.00 0.00 C ATOM 1409 ND1 HIS A 93 6.536 5.736 -9.762 1.00 0.00 N ATOM 1410 CD2 HIS A 93 4.861 4.496 -9.056 1.00 0.00 C ATOM 1411 CE1 HIS A 93 6.586 4.576 -10.399 1.00 0.00 C ATOM 1412 NE2 HIS A 93 5.547 3.809 -9.961 1.00 0.00 N ATOM 0 H HIS A 93 5.228 6.512 -5.139 1.00 0.00 H new ATOM 0 HA HIS A 93 7.099 7.028 -7.373 1.00 0.00 H new ATOM 0 HB2 HIS A 93 4.124 6.685 -7.547 1.00 0.00 H new ATOM 0 HB3 HIS A 93 4.971 7.773 -8.629 1.00 0.00 H new ATOM 0 HD2 HIS A 93 3.984 4.148 -8.530 1.00 0.00 H new ATOM 0 HE1 HIS A 93 7.321 4.288 -11.136 1.00 0.00 H new ATOM 0 HE2 HIS A 93 5.332 2.863 -10.277 1.00 0.00 H new ATOM 1420 N GLU A 94 7.229 9.197 -6.230 1.00 0.00 N ATOM 1421 CA GLU A 94 7.319 10.565 -5.749 1.00 0.00 C ATOM 1422 C GLU A 94 6.461 11.489 -6.616 1.00 0.00 C ATOM 1423 O GLU A 94 6.292 11.246 -7.810 1.00 0.00 O ATOM 1424 CB GLU A 94 8.773 11.039 -5.715 1.00 0.00 C ATOM 1425 CG GLU A 94 9.266 11.190 -4.274 1.00 0.00 C ATOM 1426 CD GLU A 94 9.423 12.666 -3.900 1.00 0.00 C ATOM 1427 OE1 GLU A 94 9.762 13.449 -4.813 1.00 0.00 O ATOM 1428 OE2 GLU A 94 9.202 12.976 -2.710 1.00 0.00 O ATOM 0 H GLU A 94 8.127 8.748 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 94 6.937 10.597 -4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.404 10.327 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 94 8.861 11.993 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 94 8.562 10.711 -3.593 1.00 0.00 H new ATOM 0 HG3 GLU A 94 10.221 10.678 -4.157 1.00 0.00 H new ATOM 1435 N GLY A 95 5.942 12.530 -5.981 1.00 0.00 N ATOM 1436 CA GLY A 95 5.106 13.492 -6.679 1.00 0.00 C ATOM 1437 C GLY A 95 5.893 14.760 -7.015 1.00 0.00 C ATOM 1438 O GLY A 95 6.723 14.758 -7.923 1.00 0.00 O ATOM 0 H GLY A 95 6.084 12.728 -4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.720 13.046 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.245 13.747 -6.061 1.00 0.00 H new ATOM 1442 N SER A 96 5.604 15.813 -6.265 1.00 0.00 N ATOM 1443 CA SER A 96 6.274 17.086 -6.472 1.00 0.00 C ATOM 1444 C SER A 96 6.766 17.642 -5.134 1.00 0.00 C ATOM 1445 O SER A 96 6.012 17.693 -4.164 1.00 0.00 O ATOM 1446 CB SER A 96 5.347 18.092 -7.156 1.00 0.00 C ATOM 1447 OG SER A 96 5.186 17.812 -8.544 1.00 0.00 O ATOM 0 H SER A 96 4.915 15.811 -5.513 1.00 0.00 H new ATOM 0 HA SER A 96 7.130 16.919 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 96 4.373 18.077 -6.668 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.750 19.097 -7.033 1.00 0.00 H new ATOM 0 HG SER A 96 4.586 18.475 -8.944 1.00 0.00 H new ATOM 1453 N GLY A 97 8.029 18.045 -5.126 1.00 0.00 N ATOM 1454 CA GLY A 97 8.630 18.595 -3.923 1.00 0.00 C ATOM 1455 C GLY A 97 9.876 19.417 -4.260 1.00 0.00 C ATOM 1456 O GLY A 97 10.903 18.863 -4.648 1.00 0.00 O ATOM 0 H GLY A 97 8.652 18.001 -5.933 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.905 19.222 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.896 17.786 -3.243 1.00 0.00 H new ATOM 1460 N PRO A 98 9.741 20.760 -4.094 1.00 0.00 N ATOM 1461 CA PRO A 98 10.843 21.663 -4.376 1.00 0.00 C ATOM 1462 C PRO A 98 11.901 21.599 -3.272 1.00 0.00 C ATOM 1463 O PRO A 98 13.098 21.578 -3.555 1.00 0.00 O ATOM 1464 CB PRO A 98 10.204 23.036 -4.506 1.00 0.00 C ATOM 1465 CG PRO A 98 8.843 22.927 -3.836 1.00 0.00 C ATOM 1466 CD PRO A 98 8.540 21.451 -3.636 1.00 0.00 C ATOM 0 HA PRO A 98 11.379 21.400 -5.288 1.00 0.00 H new ATOM 0 HB2 PRO A 98 10.816 23.799 -4.025 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.102 23.322 -5.553 1.00 0.00 H new ATOM 0 HG2 PRO A 98 8.845 23.449 -2.879 1.00 0.00 H new ATOM 0 HG3 PRO A 98 8.075 23.394 -4.453 1.00 0.00 H new ATOM 0 HD2 PRO A 98 8.330 21.228 -2.590 1.00 0.00 H new ATOM 0 HD3 PRO A 98 7.665 21.145 -4.209 1.00 0.00 H new ATOM 1474 N SER A 99 11.421 21.569 -2.038 1.00 0.00 N ATOM 1475 CA SER A 99 12.311 21.507 -0.890 1.00 0.00 C ATOM 1476 C SER A 99 13.019 20.152 -0.850 1.00 0.00 C ATOM 1477 O SER A 99 12.402 19.134 -0.537 1.00 0.00 O ATOM 1478 CB SER A 99 11.546 21.746 0.413 1.00 0.00 C ATOM 1479 OG SER A 99 11.135 23.104 0.550 1.00 0.00 O ATOM 0 H SER A 99 10.428 21.586 -1.807 1.00 0.00 H new ATOM 0 HA SER A 99 13.056 22.296 -0.991 1.00 0.00 H new ATOM 0 HB2 SER A 99 10.670 21.098 0.443 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.176 21.471 1.259 1.00 0.00 H new ATOM 0 HG SER A 99 10.649 23.215 1.393 1.00 0.00 H new ATOM 1485 N SER A 100 14.304 20.181 -1.170 1.00 0.00 N ATOM 1486 CA SER A 100 15.103 18.967 -1.174 1.00 0.00 C ATOM 1487 C SER A 100 15.555 18.634 0.250 1.00 0.00 C ATOM 1488 O SER A 100 15.911 19.527 1.017 1.00 0.00 O ATOM 1489 CB SER A 100 16.315 19.108 -2.096 1.00 0.00 C ATOM 1490 OG SER A 100 15.950 19.032 -3.472 1.00 0.00 O ATOM 0 H SER A 100 14.812 21.027 -1.429 1.00 0.00 H new ATOM 0 HA SER A 100 14.486 18.152 -1.553 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.808 20.061 -1.904 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.037 18.324 -1.868 1.00 0.00 H new ATOM 0 HG SER A 100 16.751 19.128 -4.029 1.00 0.00 H new ATOM 1496 N GLY A 101 15.526 17.346 0.559 1.00 0.00 N ATOM 1497 CA GLY A 101 15.929 16.884 1.876 1.00 0.00 C ATOM 1498 C GLY A 101 17.424 16.564 1.912 1.00 0.00 C ATOM 1499 O GLY A 101 18.099 16.620 0.885 1.00 0.00 O ATOM 0 H GLY A 101 15.230 16.608 -0.080 1.00 0.00 H new ATOM 0 HA2 GLY A 101 15.699 17.648 2.619 1.00 0.00 H new ATOM 0 HA3 GLY A 101 15.357 15.996 2.144 1.00 0.00 H new TER 1503 GLY A 101