USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 797 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 34 HIS : no HE2:sc= -8.09! C(o=-11!,f=-7.5!) USER MOD Set 1.2: A 94 LYS NZ :NH3+ -132:sc= -3.06 (180deg=0) USER MOD Set 2.1: A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 91 GLN : amide:sc= -0.0944 X(o=-0.094,f=-0.49) USER MOD Set 3.1: A 53 GLN : amide:sc= -1.14 X(o=-1.1,f=-1.6) USER MOD Set 3.2: A 61 TYR OH : rot 165:sc= 0 USER MOD Set 4.1: A 52 GLN : amide:sc= -2.79! K(o=-2.8!,f=-0.86) USER MOD Set 4.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -111:sc= 0.0166 (180deg=-0.142) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 23:sc= 0.143 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 22 HIS : no HD1:sc= -3.18! K(o=-3.2!,f=-1.5) USER MOD Single : A 32 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 35 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.8) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= -0.328 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 33:sc= 0.838 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 0.0508 (180deg=-0.341) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 178:sc= 0 (180deg=-0.000396) USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= 0.46 (180deg=0.251) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0596 X(o=-0.06,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.195 -36.794 -11.959 1.00 0.00 N ATOM 2 CA MET A 1 -8.292 -35.390 -11.614 1.00 0.00 C ATOM 3 C MET A 1 -8.483 -35.237 -10.112 1.00 0.00 C ATOM 4 O MET A 1 -9.196 -36.021 -9.490 1.00 0.00 O ATOM 5 CB MET A 1 -9.456 -34.759 -12.373 1.00 0.00 C ATOM 6 CG MET A 1 -9.047 -34.516 -13.823 1.00 0.00 C ATOM 7 SD MET A 1 -10.354 -33.792 -14.844 1.00 0.00 S ATOM 8 CE MET A 1 -9.893 -34.494 -16.446 1.00 0.00 C ATOM 0 H1 MET A 1 -7.226 -37.009 -12.268 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.430 -37.373 -11.127 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.860 -37.009 -12.729 1.00 0.00 H new ATOM 0 HA MET A 1 -7.371 -34.880 -11.896 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.327 -35.414 -12.335 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.743 -33.819 -11.903 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.180 -33.856 -13.840 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.736 -35.462 -14.266 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.595 -34.154 -17.208 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.886 -34.170 -16.709 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.920 -35.582 -16.388 1.00 0.00 H new ATOM 20 N SER A 2 -7.840 -34.222 -9.529 1.00 0.00 N ATOM 21 CA SER A 2 -7.943 -33.971 -8.105 1.00 0.00 C ATOM 22 C SER A 2 -7.960 -32.471 -7.846 1.00 0.00 C ATOM 23 O SER A 2 -7.580 -32.019 -6.768 1.00 0.00 O ATOM 24 CB SER A 2 -6.769 -34.630 -7.387 1.00 0.00 C ATOM 25 OG SER A 2 -7.255 -35.474 -6.368 1.00 0.00 O ATOM 0 H SER A 2 -7.243 -33.564 -10.030 1.00 0.00 H new ATOM 0 HA SER A 2 -8.871 -34.397 -7.723 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.172 -35.204 -8.095 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.115 -33.869 -6.962 1.00 0.00 H new ATOM 0 HG SER A 2 -6.501 -35.899 -5.908 1.00 0.00 H new ATOM 31 N SER A 3 -8.407 -31.698 -8.838 1.00 0.00 N ATOM 32 CA SER A 3 -8.475 -30.256 -8.712 1.00 0.00 C ATOM 33 C SER A 3 -9.860 -29.844 -8.234 1.00 0.00 C ATOM 34 O SER A 3 -10.867 -30.295 -8.775 1.00 0.00 O ATOM 35 CB SER A 3 -8.155 -29.613 -10.059 1.00 0.00 C ATOM 36 OG SER A 3 -9.140 -29.978 -10.999 1.00 0.00 O ATOM 0 H SER A 3 -8.727 -32.057 -9.738 1.00 0.00 H new ATOM 0 HA SER A 3 -7.744 -29.917 -7.979 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.118 -28.528 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.172 -29.934 -10.403 1.00 0.00 H new ATOM 0 HG SER A 3 -9.962 -30.230 -10.530 1.00 0.00 H new ATOM 42 N ASP A 4 -9.907 -28.982 -7.215 1.00 0.00 N ATOM 43 CA ASP A 4 -11.165 -28.513 -6.669 1.00 0.00 C ATOM 44 C ASP A 4 -11.741 -27.424 -7.563 1.00 0.00 C ATOM 45 O ASP A 4 -11.030 -26.855 -8.388 1.00 0.00 O ATOM 46 CB ASP A 4 -10.939 -27.988 -5.254 1.00 0.00 C ATOM 47 CG ASP A 4 -11.516 -28.946 -4.220 1.00 0.00 C ATOM 48 OD1 ASP A 4 -12.742 -29.183 -4.288 1.00 0.00 O ATOM 49 OD2 ASP A 4 -10.721 -29.423 -3.382 1.00 0.00 O ATOM 0 H ASP A 4 -9.081 -28.599 -6.756 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.878 -29.336 -6.628 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.872 -27.856 -5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.404 -27.008 -5.147 1.00 0.00 H new ATOM 54 N GLY A 5 -13.034 -27.135 -7.398 1.00 0.00 N ATOM 55 CA GLY A 5 -13.693 -26.117 -8.192 1.00 0.00 C ATOM 56 C GLY A 5 -14.107 -24.948 -7.310 1.00 0.00 C ATOM 57 O GLY A 5 -14.727 -25.139 -6.266 1.00 0.00 O ATOM 0 H GLY A 5 -13.639 -27.597 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -13.023 -25.769 -8.979 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.570 -26.540 -8.683 1.00 0.00 H new ATOM 61 N GLY A 6 -13.761 -23.730 -7.735 1.00 0.00 N ATOM 62 CA GLY A 6 -14.098 -22.537 -6.982 1.00 0.00 C ATOM 63 C GLY A 6 -12.993 -22.211 -5.987 1.00 0.00 C ATOM 64 O GLY A 6 -12.950 -22.776 -4.896 1.00 0.00 O ATOM 0 H GLY A 6 -13.247 -23.553 -8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -14.243 -21.698 -7.663 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -15.040 -22.686 -6.454 1.00 0.00 H new ATOM 68 N PRO A 7 -12.098 -21.299 -6.368 1.00 0.00 N ATOM 69 CA PRO A 7 -10.982 -20.861 -5.557 1.00 0.00 C ATOM 70 C PRO A 7 -11.490 -19.991 -4.416 1.00 0.00 C ATOM 71 O PRO A 7 -12.696 -19.831 -4.244 1.00 0.00 O ATOM 72 CB PRO A 7 -10.098 -20.057 -6.507 1.00 0.00 C ATOM 73 CG PRO A 7 -11.106 -19.483 -7.503 1.00 0.00 C ATOM 74 CD PRO A 7 -12.120 -20.616 -7.644 1.00 0.00 C ATOM 0 HA PRO A 7 -10.435 -21.689 -5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -9.553 -19.271 -5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -9.356 -20.686 -6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.569 -18.569 -7.130 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.638 -19.237 -8.456 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.114 -20.230 -7.868 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.849 -21.290 -8.457 1.00 0.00 H new ATOM 82 N VAL A 8 -10.565 -19.428 -3.636 1.00 0.00 N ATOM 83 CA VAL A 8 -10.922 -18.580 -2.516 1.00 0.00 C ATOM 84 C VAL A 8 -11.793 -17.431 -2.999 1.00 0.00 C ATOM 85 O VAL A 8 -11.632 -16.959 -4.126 1.00 0.00 O ATOM 86 CB VAL A 8 -9.652 -18.056 -1.852 1.00 0.00 C ATOM 87 CG1 VAL A 8 -8.805 -17.318 -2.884 1.00 0.00 C ATOM 88 CG2 VAL A 8 -10.028 -17.098 -0.724 1.00 0.00 C ATOM 0 H VAL A 8 -9.561 -19.550 -3.767 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.488 -19.155 -1.783 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.082 -18.892 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.898 -16.944 -2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.538 -18.001 -3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.374 -16.482 -3.290 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.122 -16.723 -0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -10.597 -16.262 -1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.634 -17.624 0.014 1.00 0.00 H new ATOM 98 N LEU A 9 -12.714 -16.979 -2.148 1.00 0.00 N ATOM 99 CA LEU A 9 -13.626 -15.887 -2.488 1.00 0.00 C ATOM 100 C LEU A 9 -12.932 -14.524 -2.433 1.00 0.00 C ATOM 101 O LEU A 9 -11.833 -14.391 -1.897 1.00 0.00 O ATOM 102 CB LEU A 9 -14.824 -15.901 -1.534 1.00 0.00 C ATOM 103 CG LEU A 9 -16.196 -15.716 -2.216 1.00 0.00 C ATOM 104 CD1 LEU A 9 -17.120 -16.898 -1.934 1.00 0.00 C ATOM 105 CD2 LEU A 9 -16.855 -14.416 -1.769 1.00 0.00 C ATOM 0 H LEU A 9 -12.849 -17.356 -1.210 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.965 -16.042 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -14.828 -16.847 -0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.692 -15.111 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.022 -15.668 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -18.078 -16.737 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.666 -17.813 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -17.277 -16.989 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.820 -14.309 -2.264 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -17.001 -14.435 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.216 -13.574 -2.035 1.00 0.00 H new ATOM 117 N GLY A 10 -13.588 -13.509 -3.000 1.00 0.00 N ATOM 118 CA GLY A 10 -13.042 -12.167 -3.024 1.00 0.00 C ATOM 119 C GLY A 10 -13.734 -11.299 -1.983 1.00 0.00 C ATOM 120 O GLY A 10 -14.960 -11.276 -1.901 1.00 0.00 O ATOM 0 H GLY A 10 -14.500 -13.600 -3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.970 -12.199 -2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -13.171 -11.732 -4.015 1.00 0.00 H new ATOM 124 N GLY A 11 -12.942 -10.581 -1.183 1.00 0.00 N ATOM 125 CA GLY A 11 -13.482 -9.716 -0.152 1.00 0.00 C ATOM 126 C GLY A 11 -12.633 -8.460 -0.020 1.00 0.00 C ATOM 127 O GLY A 11 -11.406 -8.532 -0.010 1.00 0.00 O ATOM 0 H GLY A 11 -11.923 -10.587 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.509 -9.445 -0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -13.510 -10.246 0.800 1.00 0.00 H new ATOM 131 N VAL A 12 -13.292 -7.303 0.083 1.00 0.00 N ATOM 132 CA VAL A 12 -12.600 -6.036 0.213 1.00 0.00 C ATOM 133 C VAL A 12 -13.226 -5.221 1.334 1.00 0.00 C ATOM 134 O VAL A 12 -14.412 -4.900 1.284 1.00 0.00 O ATOM 135 CB VAL A 12 -12.669 -5.281 -1.110 1.00 0.00 C ATOM 136 CG1 VAL A 12 -14.128 -5.121 -1.530 1.00 0.00 C ATOM 137 CG2 VAL A 12 -12.036 -3.902 -0.943 1.00 0.00 C ATOM 0 H VAL A 12 -14.309 -7.227 0.078 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.553 -6.212 0.460 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.129 -5.840 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.177 -4.581 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -14.582 -6.105 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.668 -4.563 -0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.085 -3.362 -1.889 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.576 -3.344 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.994 -4.014 -0.643 1.00 0.00 H new ATOM 147 N GLU A 13 -12.426 -4.885 2.349 1.00 0.00 N ATOM 148 CA GLU A 13 -12.908 -4.108 3.474 1.00 0.00 C ATOM 149 C GLU A 13 -12.195 -2.763 3.520 1.00 0.00 C ATOM 150 O GLU A 13 -10.978 -2.707 3.670 1.00 0.00 O ATOM 151 CB GLU A 13 -12.675 -4.887 4.766 1.00 0.00 C ATOM 152 CG GLU A 13 -13.563 -6.127 4.778 1.00 0.00 C ATOM 153 CD GLU A 13 -13.238 -7.016 5.970 1.00 0.00 C ATOM 154 OE1 GLU A 13 -12.171 -7.664 5.921 1.00 0.00 O ATOM 155 OE2 GLU A 13 -14.064 -7.030 6.908 1.00 0.00 O ATOM 0 H GLU A 13 -11.441 -5.143 2.407 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.977 -3.925 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -11.627 -5.176 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.898 -4.258 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.611 -5.829 4.817 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.425 -6.687 3.853 1.00 0.00 H new ATOM 162 N PRO A 14 -12.962 -1.677 3.390 1.00 0.00 N ATOM 163 CA PRO A 14 -12.462 -0.320 3.411 1.00 0.00 C ATOM 164 C PRO A 14 -12.054 0.052 4.829 1.00 0.00 C ATOM 165 O PRO A 14 -12.793 -0.204 5.777 1.00 0.00 O ATOM 166 CB PRO A 14 -13.635 0.536 2.937 1.00 0.00 C ATOM 167 CG PRO A 14 -14.849 -0.263 3.409 1.00 0.00 C ATOM 168 CD PRO A 14 -14.397 -1.708 3.211 1.00 0.00 C ATOM 0 HA PRO A 14 -11.584 -0.181 2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.611 1.533 3.376 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.631 0.664 1.855 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.091 -0.054 4.451 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.738 -0.033 2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.871 -2.373 3.933 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -14.664 -2.073 2.219 1.00 0.00 H new ATOM 176 N VAL A 15 -10.872 0.656 4.972 1.00 0.00 N ATOM 177 CA VAL A 15 -10.370 1.058 6.272 1.00 0.00 C ATOM 178 C VAL A 15 -9.523 2.315 6.130 1.00 0.00 C ATOM 179 O VAL A 15 -9.578 2.992 5.106 1.00 0.00 O ATOM 180 CB VAL A 15 -9.553 -0.081 6.874 1.00 0.00 C ATOM 181 CG1 VAL A 15 -8.272 -0.272 6.065 1.00 0.00 C ATOM 182 CG2 VAL A 15 -9.197 0.258 8.318 1.00 0.00 C ATOM 0 H VAL A 15 -10.248 0.875 4.195 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.204 1.280 6.938 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.138 -1.000 6.850 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.688 -1.086 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.526 -0.514 5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.686 0.647 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.613 -0.555 8.749 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.612 1.177 8.342 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.111 0.394 8.896 1.00 0.00 H new ATOM 192 N GLY A 16 -8.736 2.626 7.163 1.00 0.00 N ATOM 193 CA GLY A 16 -7.884 3.797 7.145 1.00 0.00 C ATOM 194 C GLY A 16 -7.459 4.162 8.560 1.00 0.00 C ATOM 195 O GLY A 16 -7.003 3.305 9.316 1.00 0.00 O ATOM 0 H GLY A 16 -8.678 2.076 8.020 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.004 3.605 6.532 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.414 4.634 6.690 1.00 0.00 H new ATOM 199 N ASN A 17 -7.608 5.439 8.918 1.00 0.00 N ATOM 200 CA ASN A 17 -7.240 5.910 10.238 1.00 0.00 C ATOM 201 C ASN A 17 -5.757 5.664 10.480 1.00 0.00 C ATOM 202 O ASN A 17 -5.381 4.672 11.099 1.00 0.00 O ATOM 203 CB ASN A 17 -8.085 5.192 11.286 1.00 0.00 C ATOM 204 CG ASN A 17 -9.567 5.440 11.051 1.00 0.00 C ATOM 205 OD1 ASN A 17 -9.991 6.584 10.900 1.00 0.00 O ATOM 206 ND2 ASN A 17 -10.357 4.364 11.019 1.00 0.00 N ATOM 0 H ASN A 17 -7.983 6.161 8.303 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.426 6.982 10.311 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.881 4.122 11.252 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.808 5.538 12.282 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.359 4.472 10.864 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.958 3.434 11.150 1.00 0.00 H new ATOM 213 N GLU A 18 -4.913 6.577 9.990 1.00 0.00 N ATOM 214 CA GLU A 18 -3.479 6.455 10.158 1.00 0.00 C ATOM 215 C GLU A 18 -3.153 6.085 11.598 1.00 0.00 C ATOM 216 O GLU A 18 -2.085 5.546 11.878 1.00 0.00 O ATOM 217 CB GLU A 18 -2.811 7.773 9.775 1.00 0.00 C ATOM 218 CG GLU A 18 -3.264 8.871 10.732 1.00 0.00 C ATOM 219 CD GLU A 18 -3.027 10.249 10.132 1.00 0.00 C ATOM 220 OE1 GLU A 18 -3.630 10.517 9.071 1.00 0.00 O ATOM 221 OE2 GLU A 18 -2.245 11.008 10.745 1.00 0.00 O ATOM 0 H GLU A 18 -5.208 7.406 9.475 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.100 5.665 9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.727 7.668 9.813 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.070 8.040 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.323 8.746 10.959 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.723 8.783 11.674 1.00 0.00 H new ATOM 228 N ASN A 19 -4.082 6.374 12.513 1.00 0.00 N ATOM 229 CA ASN A 19 -3.890 6.068 13.916 1.00 0.00 C ATOM 230 C ASN A 19 -3.289 4.679 14.068 1.00 0.00 C ATOM 231 O ASN A 19 -2.667 4.374 15.083 1.00 0.00 O ATOM 232 CB ASN A 19 -5.229 6.161 14.643 1.00 0.00 C ATOM 233 CG ASN A 19 -5.264 7.369 15.567 1.00 0.00 C ATOM 234 OD1 ASN A 19 -4.496 7.443 16.524 1.00 0.00 O ATOM 235 ND2 ASN A 19 -6.158 8.318 15.279 1.00 0.00 N ATOM 0 H ASN A 19 -4.973 6.820 12.298 1.00 0.00 H new ATOM 0 HA ASN A 19 -3.200 6.788 14.356 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.038 6.231 13.916 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.398 5.252 15.220 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.225 9.150 15.865 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.774 8.211 14.473 1.00 0.00 H new ATOM 242 N ASP A 20 -3.478 3.833 13.052 1.00 0.00 N ATOM 243 CA ASP A 20 -2.955 2.481 13.075 1.00 0.00 C ATOM 244 C ASP A 20 -1.542 2.466 12.510 1.00 0.00 C ATOM 245 O ASP A 20 -1.358 2.306 11.303 1.00 0.00 O ATOM 246 CB ASP A 20 -3.873 1.569 12.265 1.00 0.00 C ATOM 247 CG ASP A 20 -5.311 2.063 12.313 1.00 0.00 C ATOM 248 OD1 ASP A 20 -5.741 2.453 13.420 1.00 0.00 O ATOM 249 OD2 ASP A 20 -5.953 2.043 11.241 1.00 0.00 O ATOM 0 H ASP A 20 -3.993 4.070 12.204 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.917 2.117 14.102 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.532 1.530 11.230 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.820 0.553 12.657 1.00 0.00 H new ATOM 254 N LEU A 21 -0.548 2.631 13.382 1.00 0.00 N ATOM 255 CA LEU A 21 0.856 2.649 12.972 1.00 0.00 C ATOM 256 C LEU A 21 1.152 1.602 11.895 1.00 0.00 C ATOM 257 O LEU A 21 1.875 1.875 10.937 1.00 0.00 O ATOM 258 CB LEU A 21 1.751 2.409 14.191 1.00 0.00 C ATOM 259 CG LEU A 21 1.696 0.976 14.762 1.00 0.00 C ATOM 260 CD1 LEU A 21 3.011 0.236 14.532 1.00 0.00 C ATOM 261 CD2 LEU A 21 1.358 0.996 16.249 1.00 0.00 C ATOM 0 H LEU A 21 -0.691 2.755 14.384 1.00 0.00 H new ATOM 0 HA LEU A 21 1.065 3.629 12.543 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.781 2.637 13.918 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.467 3.109 14.976 1.00 0.00 H new ATOM 0 HG LEU A 21 0.907 0.443 14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.940 -0.770 14.946 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.212 0.175 13.462 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.822 0.774 15.023 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.325 -0.025 16.628 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.120 1.559 16.788 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.387 1.469 16.395 1.00 0.00 H new ATOM 273 N HIS A 22 0.583 0.405 12.070 1.00 0.00 N ATOM 274 CA HIS A 22 0.762 -0.699 11.125 1.00 0.00 C ATOM 275 C HIS A 22 0.393 -0.250 9.698 1.00 0.00 C ATOM 276 O HIS A 22 1.216 -0.383 8.791 1.00 0.00 O ATOM 277 CB HIS A 22 -0.074 -1.910 11.555 1.00 0.00 C ATOM 278 CG HIS A 22 -0.020 -3.042 10.574 1.00 0.00 C ATOM 279 ND1 HIS A 22 0.003 -4.367 10.957 1.00 0.00 N ATOM 280 CD2 HIS A 22 0.025 -3.043 9.221 1.00 0.00 C ATOM 281 CE1 HIS A 22 0.061 -5.134 9.882 1.00 0.00 C ATOM 282 NE2 HIS A 22 0.074 -4.355 8.817 1.00 0.00 N ATOM 0 H HIS A 22 -0.011 0.176 12.867 1.00 0.00 H new ATOM 0 HA HIS A 22 1.811 -0.995 11.125 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.278 -2.261 12.525 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.111 -1.600 11.686 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.023 -2.174 8.579 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.092 -6.214 9.876 1.00 0.00 H new ATOM 0 HE2 HIS A 22 0.114 -4.675 7.849 1.00 0.00 H new ATOM 291 N LEU A 23 -0.825 0.257 9.508 1.00 0.00 N ATOM 292 CA LEU A 23 -1.293 0.690 8.191 1.00 0.00 C ATOM 293 C LEU A 23 -0.328 1.683 7.539 1.00 0.00 C ATOM 294 O LEU A 23 0.189 1.442 6.449 1.00 0.00 O ATOM 295 CB LEU A 23 -2.682 1.322 8.323 1.00 0.00 C ATOM 296 CG LEU A 23 -3.801 0.345 8.741 1.00 0.00 C ATOM 297 CD1 LEU A 23 -4.617 -0.113 7.535 1.00 0.00 C ATOM 298 CD2 LEU A 23 -3.225 -0.861 9.474 1.00 0.00 C ATOM 0 H LEU A 23 -1.509 0.379 10.254 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.343 -0.189 7.548 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.631 2.128 9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.952 1.775 7.369 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.465 0.881 9.419 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.397 -0.800 7.863 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.074 0.752 7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.963 -0.619 6.824 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.034 -1.534 9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.529 -1.386 8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.700 -0.526 10.369 1.00 0.00 H new ATOM 310 N VAL A 24 -0.097 2.808 8.219 1.00 0.00 N ATOM 311 CA VAL A 24 0.791 3.837 7.717 1.00 0.00 C ATOM 312 C VAL A 24 2.124 3.219 7.321 1.00 0.00 C ATOM 313 O VAL A 24 2.661 3.523 6.258 1.00 0.00 O ATOM 314 CB VAL A 24 0.986 4.906 8.789 1.00 0.00 C ATOM 315 CG1 VAL A 24 2.359 5.551 8.620 1.00 0.00 C ATOM 316 CG2 VAL A 24 -0.097 5.972 8.648 1.00 0.00 C ATOM 0 H VAL A 24 -0.519 3.022 9.123 1.00 0.00 H new ATOM 0 HA VAL A 24 0.353 4.303 6.834 1.00 0.00 H new ATOM 0 HB VAL A 24 0.918 4.448 9.776 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.499 6.315 9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.133 4.790 8.720 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.427 6.009 7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.042 6.735 9.413 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.030 6.431 7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.078 5.512 8.768 1.00 0.00 H new ATOM 326 N ASP A 25 2.659 2.348 8.180 1.00 0.00 N ATOM 327 CA ASP A 25 3.924 1.693 7.917 1.00 0.00 C ATOM 328 C ASP A 25 3.960 1.203 6.477 1.00 0.00 C ATOM 329 O ASP A 25 4.965 1.378 5.786 1.00 0.00 O ATOM 330 CB ASP A 25 4.106 0.531 8.889 1.00 0.00 C ATOM 331 CG ASP A 25 5.503 -0.062 8.771 1.00 0.00 C ATOM 332 OD1 ASP A 25 6.412 0.495 9.422 1.00 0.00 O ATOM 333 OD2 ASP A 25 5.635 -1.062 8.033 1.00 0.00 O ATOM 0 H ASP A 25 2.226 2.085 9.065 1.00 0.00 H new ATOM 0 HA ASP A 25 4.741 2.400 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 25 3.938 0.875 9.909 1.00 0.00 H new ATOM 0 HB3 ASP A 25 3.361 -0.239 8.686 1.00 0.00 H new ATOM 338 N LEU A 26 2.865 0.591 6.027 1.00 0.00 N ATOM 339 CA LEU A 26 2.771 0.061 4.666 1.00 0.00 C ATOM 340 C LEU A 26 2.971 1.151 3.611 1.00 0.00 C ATOM 341 O LEU A 26 3.827 1.039 2.735 1.00 0.00 O ATOM 342 CB LEU A 26 1.410 -0.612 4.470 1.00 0.00 C ATOM 343 CG LEU A 26 1.128 -1.793 5.422 1.00 0.00 C ATOM 344 CD1 LEU A 26 0.854 -3.079 4.646 1.00 0.00 C ATOM 345 CD2 LEU A 26 2.286 -2.000 6.391 1.00 0.00 C ATOM 0 H LEU A 26 2.026 0.449 6.589 1.00 0.00 H new ATOM 0 HA LEU A 26 3.570 -0.670 4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.628 0.136 4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.341 -0.968 3.442 1.00 0.00 H new ATOM 0 HG LEU A 26 0.235 -1.544 5.995 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.659 -3.892 5.346 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.015 -2.938 4.003 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.722 -3.327 4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.063 -2.838 7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.196 -2.212 5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.429 -1.098 6.986 1.00 0.00 H new ATOM 357 N ALA A 27 2.162 2.209 3.704 1.00 0.00 N ATOM 358 CA ALA A 27 2.237 3.314 2.768 1.00 0.00 C ATOM 359 C ALA A 27 3.609 3.965 2.848 1.00 0.00 C ATOM 360 O ALA A 27 4.284 4.123 1.833 1.00 0.00 O ATOM 361 CB ALA A 27 1.138 4.324 3.085 1.00 0.00 C ATOM 0 H ALA A 27 1.447 2.316 4.424 1.00 0.00 H new ATOM 0 HA ALA A 27 2.091 2.946 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.194 5.155 2.382 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.165 3.841 3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 27 1.270 4.698 4.100 1.00 0.00 H new ATOM 367 N ARG A 28 4.022 4.345 4.060 1.00 0.00 N ATOM 368 CA ARG A 28 5.308 4.978 4.266 1.00 0.00 C ATOM 369 C ARG A 28 6.421 4.040 3.821 1.00 0.00 C ATOM 370 O ARG A 28 7.492 4.490 3.419 1.00 0.00 O ATOM 371 CB ARG A 28 5.464 5.341 5.741 1.00 0.00 C ATOM 372 CG ARG A 28 4.928 6.750 5.976 1.00 0.00 C ATOM 373 CD ARG A 28 5.767 7.441 7.048 1.00 0.00 C ATOM 374 NE ARG A 28 4.915 8.043 8.074 1.00 0.00 N ATOM 375 CZ ARG A 28 4.953 9.348 8.375 1.00 0.00 C ATOM 376 NH1 ARG A 28 5.796 10.161 7.723 1.00 0.00 N ATOM 377 NH2 ARG A 28 4.149 9.840 9.327 1.00 0.00 N ATOM 0 H ARG A 28 3.474 4.220 4.911 1.00 0.00 H new ATOM 0 HA ARG A 28 5.369 5.890 3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.924 4.626 6.362 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.513 5.286 6.031 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.960 7.322 5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.884 6.706 6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.442 6.719 7.508 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.388 8.210 6.589 1.00 0.00 H new ATOM 0 HE ARG A 28 4.264 7.444 8.582 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.408 9.786 6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.825 11.155 7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.508 9.221 9.823 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.178 10.834 9.556 1.00 0.00 H new ATOM 391 N PHE A 29 6.167 2.732 3.895 1.00 0.00 N ATOM 392 CA PHE A 29 7.147 1.740 3.499 1.00 0.00 C ATOM 393 C PHE A 29 7.326 1.765 1.988 1.00 0.00 C ATOM 394 O PHE A 29 8.447 1.682 1.491 1.00 0.00 O ATOM 395 CB PHE A 29 6.691 0.362 3.967 1.00 0.00 C ATOM 396 CG PHE A 29 7.476 -0.773 3.354 1.00 0.00 C ATOM 397 CD1 PHE A 29 8.860 -0.656 3.183 1.00 0.00 C ATOM 398 CD2 PHE A 29 6.819 -1.945 2.957 1.00 0.00 C ATOM 399 CE1 PHE A 29 9.588 -1.709 2.616 1.00 0.00 C ATOM 400 CE2 PHE A 29 7.547 -2.998 2.390 1.00 0.00 C ATOM 401 CZ PHE A 29 8.931 -2.880 2.220 1.00 0.00 C ATOM 0 H PHE A 29 5.285 2.342 4.228 1.00 0.00 H new ATOM 0 HA PHE A 29 8.108 1.967 3.962 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.778 0.309 5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.636 0.236 3.725 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.367 0.247 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.751 -2.036 3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.656 -1.618 2.484 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.040 -3.901 2.084 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.492 -3.693 1.783 1.00 0.00 H new ATOM 411 N ALA A 30 6.216 1.880 1.255 1.00 0.00 N ATOM 412 CA ALA A 30 6.255 1.915 -0.193 1.00 0.00 C ATOM 413 C ALA A 30 7.204 3.011 -0.656 1.00 0.00 C ATOM 414 O ALA A 30 8.249 2.725 -1.237 1.00 0.00 O ATOM 415 CB ALA A 30 4.848 2.153 -0.733 1.00 0.00 C ATOM 0 H ALA A 30 5.279 1.950 1.651 1.00 0.00 H new ATOM 0 HA ALA A 30 6.619 0.961 -0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.876 2.180 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.192 1.346 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.470 3.103 -0.357 1.00 0.00 H new ATOM 421 N VAL A 31 6.837 4.269 -0.399 1.00 0.00 N ATOM 422 CA VAL A 31 7.654 5.399 -0.791 1.00 0.00 C ATOM 423 C VAL A 31 9.090 5.177 -0.338 1.00 0.00 C ATOM 424 O VAL A 31 10.027 5.638 -0.985 1.00 0.00 O ATOM 425 CB VAL A 31 7.084 6.674 -0.178 1.00 0.00 C ATOM 426 CG1 VAL A 31 7.840 7.883 -0.723 1.00 0.00 C ATOM 427 CG2 VAL A 31 5.606 6.794 -0.538 1.00 0.00 C ATOM 0 H VAL A 31 5.974 4.522 0.082 1.00 0.00 H new ATOM 0 HA VAL A 31 7.648 5.500 -1.876 1.00 0.00 H new ATOM 0 HB VAL A 31 7.193 6.636 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.433 8.794 -0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.896 7.798 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.732 7.922 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.198 7.705 -0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.497 6.832 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.066 5.931 -0.149 1.00 0.00 H new ATOM 437 N THR A 32 9.262 4.468 0.780 1.00 0.00 N ATOM 438 CA THR A 32 10.582 4.191 1.311 1.00 0.00 C ATOM 439 C THR A 32 11.301 3.191 0.416 1.00 0.00 C ATOM 440 O THR A 32 12.234 3.549 -0.300 1.00 0.00 O ATOM 441 CB THR A 32 10.455 3.650 2.731 1.00 0.00 C ATOM 442 OG1 THR A 32 10.167 4.711 3.614 1.00 0.00 O ATOM 443 CG2 THR A 32 11.767 2.989 3.144 1.00 0.00 C ATOM 0 H THR A 32 8.497 4.078 1.330 1.00 0.00 H new ATOM 0 HA THR A 32 11.167 5.111 1.337 1.00 0.00 H new ATOM 0 HB THR A 32 9.650 2.916 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.205 4.899 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.676 2.602 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.992 2.169 2.462 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.572 3.723 3.106 1.00 0.00 H new ATOM 451 N GLU A 33 10.863 1.931 0.458 1.00 0.00 N ATOM 452 CA GLU A 33 11.463 0.887 -0.348 1.00 0.00 C ATOM 453 C GLU A 33 11.751 1.413 -1.747 1.00 0.00 C ATOM 454 O GLU A 33 12.862 1.247 -2.252 1.00 0.00 O ATOM 455 CB GLU A 33 10.525 -0.315 -0.405 1.00 0.00 C ATOM 456 CG GLU A 33 11.171 -1.427 -1.226 1.00 0.00 C ATOM 457 CD GLU A 33 11.086 -2.760 -0.497 1.00 0.00 C ATOM 458 OE1 GLU A 33 11.744 -2.873 0.560 1.00 0.00 O ATOM 459 OE2 GLU A 33 10.364 -3.642 -1.011 1.00 0.00 O ATOM 0 H GLU A 33 10.092 1.617 1.047 1.00 0.00 H new ATOM 0 HA GLU A 33 12.406 0.575 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.311 -0.670 0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.573 -0.026 -0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.675 -1.505 -2.194 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.215 -1.181 -1.421 1.00 0.00 H new ATOM 466 N HIS A 34 10.749 2.044 -2.366 1.00 0.00 N ATOM 467 CA HIS A 34 10.884 2.613 -3.709 1.00 0.00 C ATOM 468 C HIS A 34 12.011 3.664 -3.736 1.00 0.00 C ATOM 469 O HIS A 34 12.882 3.596 -4.601 1.00 0.00 O ATOM 470 CB HIS A 34 9.553 3.220 -4.167 1.00 0.00 C ATOM 471 CG HIS A 34 9.536 3.571 -5.624 1.00 0.00 C ATOM 472 ND1 HIS A 34 8.438 3.363 -6.433 1.00 0.00 N ATOM 473 CD2 HIS A 34 10.491 4.106 -6.420 1.00 0.00 C ATOM 474 CE1 HIS A 34 8.718 3.755 -7.664 1.00 0.00 C ATOM 475 NE2 HIS A 34 9.956 4.212 -7.681 1.00 0.00 N ATOM 0 H HIS A 34 9.826 2.174 -1.952 1.00 0.00 H new ATOM 0 HA HIS A 34 11.149 1.816 -4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.749 2.514 -3.960 1.00 0.00 H new ATOM 0 HB3 HIS A 34 9.349 4.116 -3.581 1.00 0.00 H new ATOM 0 HD1 HIS A 34 7.548 2.968 -6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.487 4.395 -6.120 1.00 0.00 H new ATOM 0 HE1 HIS A 34 8.049 3.709 -8.510 1.00 0.00 H new ATOM 484 N ASN A 35 11.981 4.625 -2.810 1.00 0.00 N ATOM 485 CA ASN A 35 12.987 5.666 -2.760 1.00 0.00 C ATOM 486 C ASN A 35 14.357 5.054 -2.502 1.00 0.00 C ATOM 487 O ASN A 35 15.380 5.693 -2.735 1.00 0.00 O ATOM 488 CB ASN A 35 12.627 6.667 -1.666 1.00 0.00 C ATOM 489 CG ASN A 35 11.572 7.649 -2.153 1.00 0.00 C ATOM 490 OD1 ASN A 35 10.743 7.307 -2.993 1.00 0.00 O ATOM 491 ND2 ASN A 35 11.604 8.874 -1.623 1.00 0.00 N ATOM 0 H ASN A 35 11.265 4.696 -2.087 1.00 0.00 H new ATOM 0 HA ASN A 35 13.021 6.188 -3.716 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.257 6.136 -0.789 1.00 0.00 H new ATOM 0 HB3 ASN A 35 13.520 7.210 -1.357 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.920 9.573 -1.913 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.312 9.111 -0.928 1.00 0.00 H new ATOM 498 N LYS A 36 14.372 3.810 -2.018 1.00 0.00 N ATOM 499 CA LYS A 36 15.612 3.118 -1.731 1.00 0.00 C ATOM 500 C LYS A 36 16.114 2.414 -2.984 1.00 0.00 C ATOM 501 O LYS A 36 17.283 2.536 -3.343 1.00 0.00 O ATOM 502 CB LYS A 36 15.386 2.117 -0.603 1.00 0.00 C ATOM 503 CG LYS A 36 14.924 2.857 0.649 1.00 0.00 C ATOM 504 CD LYS A 36 16.078 2.944 1.644 1.00 0.00 C ATOM 505 CE LYS A 36 15.525 2.957 3.066 1.00 0.00 C ATOM 506 NZ LYS A 36 16.350 3.799 3.945 1.00 0.00 N ATOM 0 H LYS A 36 13.532 3.267 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 36 16.368 3.837 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.639 1.381 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 36 16.307 1.571 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.580 3.857 0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.079 2.337 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.751 2.096 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.662 3.846 1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.500 3.328 3.058 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.492 1.940 3.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.953 3.791 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.322 3.429 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.360 4.774 3.583 1.00 0.00 H new ATOM 520 N LYS A 37 15.225 1.674 -3.650 1.00 0.00 N ATOM 521 CA LYS A 37 15.581 0.955 -4.857 1.00 0.00 C ATOM 522 C LYS A 37 15.404 1.859 -6.068 1.00 0.00 C ATOM 523 O LYS A 37 15.439 1.392 -7.205 1.00 0.00 O ATOM 524 CB LYS A 37 14.710 -0.292 -4.980 1.00 0.00 C ATOM 525 CG LYS A 37 15.602 -1.527 -5.082 1.00 0.00 C ATOM 526 CD LYS A 37 15.196 -2.538 -4.014 1.00 0.00 C ATOM 527 CE LYS A 37 16.418 -2.921 -3.184 1.00 0.00 C ATOM 528 NZ LYS A 37 17.312 -3.811 -3.942 1.00 0.00 N ATOM 0 H LYS A 37 14.252 1.562 -3.366 1.00 0.00 H new ATOM 0 HA LYS A 37 16.626 0.649 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.052 -0.376 -4.115 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.072 -0.217 -5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.512 -1.973 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.647 -1.245 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.425 -2.114 -3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 37 14.768 -3.425 -4.482 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.959 -2.021 -2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.099 -3.416 -2.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.135 -4.057 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.800 -4.678 -4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.633 -3.327 -4.805 1.00 0.00 H new ATOM 542 N ALA A 38 15.212 3.157 -5.823 1.00 0.00 N ATOM 543 CA ALA A 38 15.029 4.118 -6.891 1.00 0.00 C ATOM 544 C ALA A 38 15.819 5.383 -6.587 1.00 0.00 C ATOM 545 O ALA A 38 15.680 6.387 -7.282 1.00 0.00 O ATOM 546 CB ALA A 38 13.543 4.432 -7.044 1.00 0.00 C ATOM 0 H ALA A 38 15.181 3.559 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 38 15.396 3.700 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.405 5.155 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 38 13.000 3.517 -7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 38 13.161 4.848 -6.112 1.00 0.00 H new ATOM 552 N ASN A 39 16.651 5.333 -5.543 1.00 0.00 N ATOM 553 CA ASN A 39 17.457 6.473 -5.155 1.00 0.00 C ATOM 554 C ASN A 39 16.601 7.732 -5.139 1.00 0.00 C ATOM 555 O ASN A 39 16.864 8.674 -5.882 1.00 0.00 O ATOM 556 CB ASN A 39 18.623 6.624 -6.127 1.00 0.00 C ATOM 557 CG ASN A 39 19.257 5.273 -6.430 1.00 0.00 C ATOM 558 OD1 ASN A 39 19.676 4.564 -5.517 1.00 0.00 O ATOM 559 ND2 ASN A 39 19.325 4.918 -7.715 1.00 0.00 N ATOM 0 H ASN A 39 16.778 4.509 -4.956 1.00 0.00 H new ATOM 0 HA ASN A 39 17.854 6.317 -4.152 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.273 7.082 -7.052 1.00 0.00 H new ATOM 0 HB3 ASN A 39 19.371 7.294 -5.703 1.00 0.00 H new ATOM 0 HD21 ASN A 39 19.739 4.023 -7.976 1.00 0.00 H new ATOM 0 HD22 ASN A 39 18.963 5.542 -8.436 1.00 0.00 H new ATOM 566 N SER A 40 15.574 7.743 -4.288 1.00 0.00 N ATOM 567 CA SER A 40 14.687 8.885 -4.177 1.00 0.00 C ATOM 568 C SER A 40 13.745 8.925 -5.373 1.00 0.00 C ATOM 569 O SER A 40 14.100 8.468 -6.460 1.00 0.00 O ATOM 570 CB SER A 40 15.514 10.164 -4.097 1.00 0.00 C ATOM 571 OG SER A 40 16.705 9.910 -3.388 1.00 0.00 O ATOM 0 H SER A 40 15.342 6.968 -3.667 1.00 0.00 H new ATOM 0 HA SER A 40 14.088 8.798 -3.271 1.00 0.00 H new ATOM 0 HB2 SER A 40 15.745 10.524 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 40 14.943 10.949 -3.600 1.00 0.00 H new ATOM 0 HG SER A 40 17.237 10.731 -3.338 1.00 0.00 H new ATOM 577 N LEU A 41 12.547 9.472 -5.171 1.00 0.00 N ATOM 578 CA LEU A 41 11.542 9.566 -6.229 1.00 0.00 C ATOM 579 C LEU A 41 10.611 10.765 -6.031 1.00 0.00 C ATOM 580 O LEU A 41 10.241 11.445 -6.988 1.00 0.00 O ATOM 581 CB LEU A 41 10.724 8.272 -6.277 1.00 0.00 C ATOM 582 CG LEU A 41 9.345 8.402 -6.956 1.00 0.00 C ATOM 583 CD1 LEU A 41 9.407 7.984 -8.423 1.00 0.00 C ATOM 584 CD2 LEU A 41 8.295 7.579 -6.220 1.00 0.00 C ATOM 0 H LEU A 41 12.247 9.860 -4.276 1.00 0.00 H new ATOM 0 HA LEU A 41 12.065 9.711 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.302 7.513 -6.804 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.579 7.913 -5.258 1.00 0.00 H new ATOM 0 HG LEU A 41 9.058 9.453 -6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.419 8.087 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.115 8.621 -8.953 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.730 6.945 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.332 7.688 -6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.588 6.529 -6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.213 7.930 -5.191 1.00 0.00 H new ATOM 596 N LEU A 42 10.236 11.011 -4.775 1.00 0.00 N ATOM 597 CA LEU A 42 9.335 12.110 -4.430 1.00 0.00 C ATOM 598 C LEU A 42 9.389 12.448 -2.938 1.00 0.00 C ATOM 599 O LEU A 42 10.384 12.192 -2.265 1.00 0.00 O ATOM 600 CB LEU A 42 7.903 11.747 -4.831 1.00 0.00 C ATOM 601 CG LEU A 42 7.553 10.250 -4.699 1.00 0.00 C ATOM 602 CD1 LEU A 42 7.106 9.909 -3.280 1.00 0.00 C ATOM 603 CD2 LEU A 42 6.474 9.852 -5.700 1.00 0.00 C ATOM 0 H LEU A 42 10.545 10.459 -3.975 1.00 0.00 H new ATOM 0 HA LEU A 42 9.662 12.993 -4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.212 12.323 -4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 42 7.741 12.054 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 42 8.457 9.682 -4.918 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.866 8.847 -3.219 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.909 10.140 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.223 10.495 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.245 8.792 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.574 10.439 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.830 10.040 -6.713 1.00 0.00 H new ATOM 615 N GLU A 43 8.302 13.035 -2.432 1.00 0.00 N ATOM 616 CA GLU A 43 8.220 13.411 -1.035 1.00 0.00 C ATOM 617 C GLU A 43 6.831 13.105 -0.494 1.00 0.00 C ATOM 618 O GLU A 43 5.904 13.893 -0.669 1.00 0.00 O ATOM 619 CB GLU A 43 8.541 14.897 -0.891 1.00 0.00 C ATOM 620 CG GLU A 43 8.906 15.201 0.559 1.00 0.00 C ATOM 621 CD GLU A 43 9.461 16.611 0.695 1.00 0.00 C ATOM 622 OE1 GLU A 43 10.439 16.909 -0.025 1.00 0.00 O ATOM 623 OE2 GLU A 43 8.898 17.365 1.516 1.00 0.00 O ATOM 0 H GLU A 43 7.469 13.257 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 43 8.945 12.836 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.367 15.167 -1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.683 15.496 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.025 15.090 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.644 14.480 0.911 1.00 0.00 H new ATOM 630 N PHE A 44 6.689 11.953 0.167 1.00 0.00 N ATOM 631 CA PHE A 44 5.417 11.549 0.730 1.00 0.00 C ATOM 632 C PHE A 44 4.918 12.613 1.697 1.00 0.00 C ATOM 633 O PHE A 44 5.652 13.042 2.585 1.00 0.00 O ATOM 634 CB PHE A 44 5.579 10.206 1.438 1.00 0.00 C ATOM 635 CG PHE A 44 4.431 9.868 2.358 1.00 0.00 C ATOM 636 CD1 PHE A 44 4.437 10.322 3.682 1.00 0.00 C ATOM 637 CD2 PHE A 44 3.360 9.097 1.888 1.00 0.00 C ATOM 638 CE1 PHE A 44 3.374 10.006 4.536 1.00 0.00 C ATOM 639 CE2 PHE A 44 2.297 8.782 2.742 1.00 0.00 C ATOM 640 CZ PHE A 44 2.303 9.236 4.066 1.00 0.00 C ATOM 0 H PHE A 44 7.447 11.288 0.321 1.00 0.00 H new ATOM 0 HA PHE A 44 4.681 11.439 -0.066 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.678 9.420 0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 44 6.504 10.217 2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.262 10.917 4.045 1.00 0.00 H new ATOM 0 HD2 PHE A 44 3.355 8.746 0.867 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.380 10.356 5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.471 8.188 2.379 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.482 8.993 4.725 1.00 0.00 H new ATOM 650 N GLU A 45 3.665 13.040 1.523 1.00 0.00 N ATOM 651 CA GLU A 45 3.077 14.048 2.381 1.00 0.00 C ATOM 652 C GLU A 45 2.191 13.388 3.428 1.00 0.00 C ATOM 653 O GLU A 45 2.308 13.676 4.617 1.00 0.00 O ATOM 654 CB GLU A 45 2.274 15.030 1.533 1.00 0.00 C ATOM 655 CG GLU A 45 1.376 15.869 2.438 1.00 0.00 C ATOM 656 CD GLU A 45 1.610 17.354 2.208 1.00 0.00 C ATOM 657 OE1 GLU A 45 2.787 17.764 2.295 1.00 0.00 O ATOM 658 OE2 GLU A 45 0.605 18.053 1.949 1.00 0.00 O ATOM 0 H GLU A 45 3.044 12.696 0.791 1.00 0.00 H new ATOM 0 HA GLU A 45 3.866 14.594 2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.948 15.677 0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.670 14.489 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.331 15.627 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.573 15.623 3.481 1.00 0.00 H new ATOM 665 N LYS A 46 1.301 12.498 2.981 1.00 0.00 N ATOM 666 CA LYS A 46 0.402 11.801 3.879 1.00 0.00 C ATOM 667 C LYS A 46 -0.465 10.829 3.091 1.00 0.00 C ATOM 668 O LYS A 46 -0.198 10.566 1.918 1.00 0.00 O ATOM 669 CB LYS A 46 -0.463 12.817 4.620 1.00 0.00 C ATOM 670 CG LYS A 46 -1.294 13.608 3.614 1.00 0.00 C ATOM 671 CD LYS A 46 -2.203 14.581 4.358 1.00 0.00 C ATOM 672 CE LYS A 46 -3.548 14.670 3.642 1.00 0.00 C ATOM 673 NZ LYS A 46 -3.799 16.036 3.159 1.00 0.00 N ATOM 0 H LYS A 46 1.191 12.249 1.998 1.00 0.00 H new ATOM 0 HA LYS A 46 0.979 11.233 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.117 12.307 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.166 13.493 5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.639 14.153 2.934 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.891 12.929 3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.347 14.247 5.386 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.738 15.566 4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.564 13.975 2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.346 14.368 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.719 16.070 2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.807 16.693 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.049 16.312 2.494 1.00 0.00 H new ATOM 687 N LEU A 47 -1.502 10.297 3.738 1.00 0.00 N ATOM 688 CA LEU A 47 -2.410 9.340 3.106 1.00 0.00 C ATOM 689 C LEU A 47 -3.878 9.682 3.371 1.00 0.00 C ATOM 690 O LEU A 47 -4.193 10.507 4.225 1.00 0.00 O ATOM 691 CB LEU A 47 -2.103 7.928 3.615 1.00 0.00 C ATOM 692 CG LEU A 47 -2.229 7.748 5.141 1.00 0.00 C ATOM 693 CD1 LEU A 47 -3.478 6.952 5.505 1.00 0.00 C ATOM 694 CD2 LEU A 47 -0.989 7.072 5.714 1.00 0.00 C ATOM 0 H LEU A 47 -1.735 10.515 4.707 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.251 9.391 2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.777 7.226 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.090 7.661 3.314 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.318 8.742 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.537 6.843 6.588 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.362 7.477 5.144 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.428 5.966 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.103 6.957 6.792 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.864 6.091 5.255 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.112 7.684 5.505 1.00 0.00 H new ATOM 706 N VAL A 48 -4.774 9.038 2.618 1.00 0.00 N ATOM 707 CA VAL A 48 -6.198 9.268 2.758 1.00 0.00 C ATOM 708 C VAL A 48 -6.835 8.109 3.510 1.00 0.00 C ATOM 709 O VAL A 48 -7.466 8.310 4.546 1.00 0.00 O ATOM 710 CB VAL A 48 -6.824 9.426 1.376 1.00 0.00 C ATOM 711 CG1 VAL A 48 -8.296 9.801 1.524 1.00 0.00 C ATOM 712 CG2 VAL A 48 -6.094 10.525 0.609 1.00 0.00 C ATOM 0 H VAL A 48 -4.528 8.352 1.905 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.370 10.182 3.327 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.741 8.486 0.830 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.744 9.914 0.537 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.818 9.016 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.379 10.741 2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.541 10.638 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.176 11.465 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.043 10.258 0.503 1.00 0.00 H new ATOM 722 N SER A 49 -6.668 6.891 2.987 1.00 0.00 N ATOM 723 CA SER A 49 -7.226 5.709 3.613 1.00 0.00 C ATOM 724 C SER A 49 -6.517 4.467 3.093 1.00 0.00 C ATOM 725 O SER A 49 -5.492 4.568 2.421 1.00 0.00 O ATOM 726 CB SER A 49 -8.722 5.640 3.323 1.00 0.00 C ATOM 727 OG SER A 49 -9.429 6.315 4.339 1.00 0.00 O ATOM 0 H SER A 49 -6.148 6.707 2.129 1.00 0.00 H new ATOM 0 HA SER A 49 -7.081 5.760 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 49 -8.937 6.091 2.354 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.045 4.600 3.269 1.00 0.00 H new ATOM 0 HG SER A 49 -8.890 7.063 4.671 1.00 0.00 H new ATOM 733 N VAL A 50 -7.066 3.290 3.405 1.00 0.00 N ATOM 734 CA VAL A 50 -6.487 2.036 2.969 1.00 0.00 C ATOM 735 C VAL A 50 -7.538 0.936 3.028 1.00 0.00 C ATOM 736 O VAL A 50 -8.561 1.087 3.693 1.00 0.00 O ATOM 737 CB VAL A 50 -5.293 1.692 3.855 1.00 0.00 C ATOM 738 CG1 VAL A 50 -5.740 1.639 5.313 1.00 0.00 C ATOM 739 CG2 VAL A 50 -4.730 0.335 3.445 1.00 0.00 C ATOM 0 H VAL A 50 -7.915 3.189 3.961 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.143 2.128 1.939 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.523 2.454 3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.887 1.393 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.142 2.609 5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.510 0.877 5.430 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.877 0.089 4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.500 -0.428 3.560 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.410 0.373 2.404 1.00 0.00 H new ATOM 749 N LYS A 51 -7.283 -0.173 2.331 1.00 0.00 N ATOM 750 CA LYS A 51 -8.206 -1.290 2.309 1.00 0.00 C ATOM 751 C LYS A 51 -7.475 -2.574 2.675 1.00 0.00 C ATOM 752 O LYS A 51 -6.286 -2.548 2.987 1.00 0.00 O ATOM 753 CB LYS A 51 -8.834 -1.402 0.923 1.00 0.00 C ATOM 754 CG LYS A 51 -9.902 -0.325 0.760 1.00 0.00 C ATOM 755 CD LYS A 51 -11.224 -0.973 0.358 1.00 0.00 C ATOM 756 CE LYS A 51 -12.110 0.062 -0.328 1.00 0.00 C ATOM 757 NZ LYS A 51 -12.586 -0.430 -1.630 1.00 0.00 N ATOM 0 H LYS A 51 -6.439 -0.314 1.775 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.997 -1.126 3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.069 -1.289 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.275 -2.390 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.024 0.225 1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.594 0.396 0.003 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.041 -1.812 -0.313 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.728 -1.373 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.962 0.296 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.552 0.988 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.186 0.293 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.771 -0.630 -2.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.137 -1.301 -1.492 1.00 0.00 H new ATOM 771 N GLN A 52 -8.190 -3.700 2.637 1.00 0.00 N ATOM 772 CA GLN A 52 -7.609 -4.987 2.965 1.00 0.00 C ATOM 773 C GLN A 52 -8.271 -6.079 2.139 1.00 0.00 C ATOM 774 O GLN A 52 -9.497 -6.147 2.064 1.00 0.00 O ATOM 775 CB GLN A 52 -7.782 -5.256 4.457 1.00 0.00 C ATOM 776 CG GLN A 52 -9.236 -5.011 4.853 1.00 0.00 C ATOM 777 CD GLN A 52 -9.503 -5.507 6.267 1.00 0.00 C ATOM 778 OE1 GLN A 52 -10.441 -5.052 6.919 1.00 0.00 O ATOM 779 NE2 GLN A 52 -8.676 -6.441 6.741 1.00 0.00 N ATOM 0 H GLN A 52 -9.176 -3.738 2.380 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.544 -4.980 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.499 -6.283 4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.123 -4.607 5.033 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -9.461 -3.946 4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.899 -5.520 4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.912 -6.787 6.161 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.808 -6.809 7.683 1.00 0.00 H new ATOM 788 N GLN A 53 -7.458 -6.936 1.518 1.00 0.00 N ATOM 789 CA GLN A 53 -7.969 -8.019 0.701 1.00 0.00 C ATOM 790 C GLN A 53 -7.528 -9.356 1.282 1.00 0.00 C ATOM 791 O GLN A 53 -6.520 -9.430 1.980 1.00 0.00 O ATOM 792 CB GLN A 53 -7.462 -7.858 -0.730 1.00 0.00 C ATOM 793 CG GLN A 53 -8.484 -8.442 -1.700 1.00 0.00 C ATOM 794 CD GLN A 53 -9.100 -7.350 -2.563 1.00 0.00 C ATOM 795 OE1 GLN A 53 -9.599 -6.355 -2.044 1.00 0.00 O ATOM 796 NE2 GLN A 53 -9.063 -7.540 -3.884 1.00 0.00 N ATOM 0 H GLN A 53 -6.440 -6.894 1.571 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.059 -7.991 0.692 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.295 -6.804 -0.952 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.504 -8.364 -0.847 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.004 -9.186 -2.336 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.267 -8.956 -1.143 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.637 -8.384 -4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.461 -6.841 -4.511 1.00 0.00 H new ATOM 805 N VAL A 54 -8.288 -10.414 0.990 1.00 0.00 N ATOM 806 CA VAL A 54 -7.975 -11.741 1.483 1.00 0.00 C ATOM 807 C VAL A 54 -7.721 -12.677 0.311 1.00 0.00 C ATOM 808 O VAL A 54 -8.590 -12.859 -0.540 1.00 0.00 O ATOM 809 CB VAL A 54 -9.128 -12.249 2.343 1.00 0.00 C ATOM 810 CG1 VAL A 54 -10.422 -12.206 1.537 1.00 0.00 C ATOM 811 CG2 VAL A 54 -8.845 -13.684 2.775 1.00 0.00 C ATOM 0 H VAL A 54 -9.127 -10.368 0.411 1.00 0.00 H new ATOM 0 HA VAL A 54 -7.074 -11.704 2.095 1.00 0.00 H new ATOM 0 HB VAL A 54 -9.229 -11.617 3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.246 -12.569 2.152 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.624 -11.180 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.322 -12.838 0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.668 -14.048 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -8.744 -14.316 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.921 -13.715 3.352 1.00 0.00 H new ATOM 821 N VAL A 55 -6.528 -13.273 0.267 1.00 0.00 N ATOM 822 CA VAL A 55 -6.166 -14.186 -0.797 1.00 0.00 C ATOM 823 C VAL A 55 -5.098 -15.154 -0.306 1.00 0.00 C ATOM 824 O VAL A 55 -5.325 -15.904 0.641 1.00 0.00 O ATOM 825 CB VAL A 55 -5.665 -13.393 -2.000 1.00 0.00 C ATOM 826 CG1 VAL A 55 -6.733 -12.391 -2.429 1.00 0.00 C ATOM 827 CG2 VAL A 55 -4.390 -12.646 -1.620 1.00 0.00 C ATOM 0 H VAL A 55 -5.798 -13.133 0.965 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.040 -14.763 -1.098 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.455 -14.075 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.376 -11.824 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.644 -12.924 -2.699 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.943 -11.708 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.031 -12.079 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.600 -11.963 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.627 -13.361 -1.313 1.00 0.00 H new ATOM 837 N ALA A 56 -3.931 -15.134 -0.953 1.00 0.00 N ATOM 838 CA ALA A 56 -2.836 -16.007 -0.580 1.00 0.00 C ATOM 839 C ALA A 56 -2.116 -15.442 0.636 1.00 0.00 C ATOM 840 O ALA A 56 -0.983 -15.821 0.923 1.00 0.00 O ATOM 841 CB ALA A 56 -1.877 -16.152 -1.759 1.00 0.00 C ATOM 0 H ALA A 56 -3.728 -14.517 -1.740 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.224 -16.992 -0.321 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.053 -16.808 -1.479 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.408 -16.579 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.484 -15.172 -2.031 1.00 0.00 H new ATOM 847 N GLY A 57 -2.777 -14.529 1.351 1.00 0.00 N ATOM 848 CA GLY A 57 -2.195 -13.917 2.529 1.00 0.00 C ATOM 849 C GLY A 57 -3.063 -12.762 3.007 1.00 0.00 C ATOM 850 O GLY A 57 -4.283 -12.887 3.089 1.00 0.00 O ATOM 0 H GLY A 57 -3.717 -14.202 1.127 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.096 -14.659 3.321 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.191 -13.557 2.302 1.00 0.00 H new ATOM 854 N THR A 58 -2.428 -11.630 3.324 1.00 0.00 N ATOM 855 CA THR A 58 -3.143 -10.461 3.790 1.00 0.00 C ATOM 856 C THR A 58 -2.736 -9.243 2.973 1.00 0.00 C ATOM 857 O THR A 58 -1.631 -8.724 3.136 1.00 0.00 O ATOM 858 CB THR A 58 -2.848 -10.241 5.271 1.00 0.00 C ATOM 859 OG1 THR A 58 -3.237 -11.383 6.002 1.00 0.00 O ATOM 860 CG2 THR A 58 -3.626 -9.028 5.772 1.00 0.00 C ATOM 0 H THR A 58 -1.417 -11.508 3.263 1.00 0.00 H new ATOM 0 HA THR A 58 -4.215 -10.615 3.665 1.00 0.00 H new ATOM 0 HB THR A 58 -1.780 -10.068 5.406 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.046 -11.243 6.953 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.415 -8.872 6.830 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.326 -8.145 5.208 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.694 -9.199 5.637 1.00 0.00 H new ATOM 868 N LEU A 59 -3.631 -8.789 2.096 1.00 0.00 N ATOM 869 CA LEU A 59 -3.366 -7.633 1.238 1.00 0.00 C ATOM 870 C LEU A 59 -4.014 -6.357 1.781 1.00 0.00 C ATOM 871 O LEU A 59 -4.985 -6.407 2.531 1.00 0.00 O ATOM 872 CB LEU A 59 -3.877 -7.917 -0.177 1.00 0.00 C ATOM 873 CG LEU A 59 -3.094 -7.211 -1.302 1.00 0.00 C ATOM 874 CD1 LEU A 59 -3.222 -5.693 -1.201 1.00 0.00 C ATOM 875 CD2 LEU A 59 -1.625 -7.616 -1.281 1.00 0.00 C ATOM 0 H LEU A 59 -4.552 -9.207 1.960 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.288 -7.470 1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.844 -8.993 -0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.923 -7.616 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.530 -7.528 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.658 -5.226 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.272 -5.410 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.827 -5.358 -0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.095 -7.104 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.185 -7.340 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.543 -8.694 -1.421 1.00 0.00 H new ATOM 887 N TYR A 60 -3.457 -5.208 1.391 1.00 0.00 N ATOM 888 CA TYR A 60 -3.965 -3.925 1.834 1.00 0.00 C ATOM 889 C TYR A 60 -3.710 -2.871 0.766 1.00 0.00 C ATOM 890 O TYR A 60 -2.576 -2.689 0.329 1.00 0.00 O ATOM 891 CB TYR A 60 -3.291 -3.539 3.147 1.00 0.00 C ATOM 892 CG TYR A 60 -4.019 -4.041 4.370 1.00 0.00 C ATOM 893 CD1 TYR A 60 -3.942 -5.393 4.725 1.00 0.00 C ATOM 894 CD2 TYR A 60 -4.773 -3.154 5.149 1.00 0.00 C ATOM 895 CE1 TYR A 60 -4.617 -5.858 5.860 1.00 0.00 C ATOM 896 CE2 TYR A 60 -5.449 -3.620 6.284 1.00 0.00 C ATOM 897 CZ TYR A 60 -5.371 -4.972 6.638 1.00 0.00 C ATOM 898 OH TYR A 60 -6.029 -5.426 7.744 1.00 0.00 O ATOM 0 H TYR A 60 -2.652 -5.149 0.767 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.040 -3.993 1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.274 -3.932 3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.214 -2.453 3.201 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.362 -6.077 4.123 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.833 -2.111 4.875 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.556 -6.901 6.135 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.030 -2.937 6.886 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.504 -4.682 8.171 1.00 0.00 H new ATOM 908 N TYR A 61 -4.770 -2.176 0.347 1.00 0.00 N ATOM 909 CA TYR A 61 -4.655 -1.147 -0.668 1.00 0.00 C ATOM 910 C TYR A 61 -4.697 0.227 -0.015 1.00 0.00 C ATOM 911 O TYR A 61 -5.762 0.701 0.373 1.00 0.00 O ATOM 912 CB TYR A 61 -5.789 -1.302 -1.677 1.00 0.00 C ATOM 913 CG TYR A 61 -5.815 -2.653 -2.352 1.00 0.00 C ATOM 914 CD1 TYR A 61 -4.864 -2.965 -3.331 1.00 0.00 C ATOM 915 CD2 TYR A 61 -6.790 -3.592 -1.999 1.00 0.00 C ATOM 916 CE1 TYR A 61 -4.888 -4.216 -3.956 1.00 0.00 C ATOM 917 CE2 TYR A 61 -6.815 -4.844 -2.625 1.00 0.00 C ATOM 918 CZ TYR A 61 -5.863 -5.157 -3.603 1.00 0.00 C ATOM 919 OH TYR A 61 -5.886 -6.377 -4.212 1.00 0.00 O ATOM 0 H TYR A 61 -5.717 -2.314 0.701 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.704 -1.249 -1.191 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -6.740 -1.140 -1.170 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.697 -0.527 -2.437 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -4.112 -2.240 -3.604 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.523 -3.351 -1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -4.154 -4.456 -4.711 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.569 -5.568 -2.354 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.455 -6.988 -3.699 1.00 0.00 H new ATOM 929 N PHE A 62 -3.531 0.867 0.105 1.00 0.00 N ATOM 930 CA PHE A 62 -3.442 2.182 0.709 1.00 0.00 C ATOM 931 C PHE A 62 -3.595 3.253 -0.362 1.00 0.00 C ATOM 932 O PHE A 62 -3.017 3.144 -1.441 1.00 0.00 O ATOM 933 CB PHE A 62 -2.102 2.320 1.426 1.00 0.00 C ATOM 934 CG PHE A 62 -1.918 1.335 2.555 1.00 0.00 C ATOM 935 CD1 PHE A 62 -1.655 -0.011 2.272 1.00 0.00 C ATOM 936 CD2 PHE A 62 -2.011 1.765 3.883 1.00 0.00 C ATOM 937 CE1 PHE A 62 -1.487 -0.927 3.318 1.00 0.00 C ATOM 938 CE2 PHE A 62 -1.842 0.850 4.929 1.00 0.00 C ATOM 939 CZ PHE A 62 -1.579 -0.495 4.646 1.00 0.00 C ATOM 0 H PHE A 62 -2.639 0.488 -0.211 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.244 2.309 1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.297 2.187 0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.012 3.332 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -1.582 -0.343 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.213 2.803 4.101 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -1.287 -1.966 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.915 1.182 5.954 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.447 -1.200 5.453 1.00 0.00 H new ATOM 949 N THR A 63 -4.377 4.292 -0.060 1.00 0.00 N ATOM 950 CA THR A 63 -4.599 5.375 -0.998 1.00 0.00 C ATOM 951 C THR A 63 -4.086 6.682 -0.411 1.00 0.00 C ATOM 952 O THR A 63 -4.861 7.478 0.114 1.00 0.00 O ATOM 953 CB THR A 63 -6.089 5.473 -1.316 1.00 0.00 C ATOM 954 OG1 THR A 63 -6.527 4.262 -1.890 1.00 0.00 O ATOM 955 CG2 THR A 63 -6.324 6.617 -2.298 1.00 0.00 C ATOM 0 H THR A 63 -4.864 4.399 0.830 1.00 0.00 H new ATOM 0 HA THR A 63 -4.055 5.178 -1.922 1.00 0.00 H new ATOM 0 HB THR A 63 -6.646 5.662 -0.398 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.484 4.323 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.388 6.688 -2.526 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.985 7.553 -1.854 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.768 6.428 -3.216 1.00 0.00 H new ATOM 963 N ILE A 64 -2.772 6.901 -0.503 1.00 0.00 N ATOM 964 CA ILE A 64 -2.159 8.108 0.015 1.00 0.00 C ATOM 965 C ILE A 64 -1.794 9.035 -1.136 1.00 0.00 C ATOM 966 O ILE A 64 -1.987 8.689 -2.299 1.00 0.00 O ATOM 967 CB ILE A 64 -0.920 7.740 0.826 1.00 0.00 C ATOM 968 CG1 ILE A 64 0.311 7.781 -0.074 1.00 0.00 C ATOM 969 CG2 ILE A 64 -1.086 6.335 1.398 1.00 0.00 C ATOM 970 CD1 ILE A 64 0.104 6.845 -1.260 1.00 0.00 C ATOM 0 H ILE A 64 -2.117 6.250 -0.935 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.862 8.628 0.666 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.796 8.453 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.484 8.798 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.196 7.483 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.201 6.071 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.964 6.306 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.211 5.623 0.583 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.983 6.874 -1.904 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.048 5.828 -0.899 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.771 7.164 -1.826 1.00 0.00 H new ATOM 982 N GLU A 65 -1.266 10.217 -0.810 1.00 0.00 N ATOM 983 CA GLU A 65 -0.878 11.182 -1.819 1.00 0.00 C ATOM 984 C GLU A 65 0.554 11.640 -1.576 1.00 0.00 C ATOM 985 O GLU A 65 0.926 11.956 -0.448 1.00 0.00 O ATOM 986 CB GLU A 65 -1.838 12.369 -1.780 1.00 0.00 C ATOM 987 CG GLU A 65 -1.166 13.587 -2.406 1.00 0.00 C ATOM 988 CD GLU A 65 -2.122 14.772 -2.451 1.00 0.00 C ATOM 989 OE1 GLU A 65 -2.933 14.810 -3.400 1.00 0.00 O ATOM 990 OE2 GLU A 65 -2.022 15.616 -1.534 1.00 0.00 O ATOM 0 H GLU A 65 -1.101 10.521 0.149 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.927 10.721 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.754 12.128 -2.320 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.123 12.586 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.278 13.853 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.833 13.345 -3.415 1.00 0.00 H new ATOM 997 N VAL A 66 1.357 11.674 -2.642 1.00 0.00 N ATOM 998 CA VAL A 66 2.741 12.092 -2.544 1.00 0.00 C ATOM 999 C VAL A 66 3.054 13.102 -3.638 1.00 0.00 C ATOM 1000 O VAL A 66 2.587 12.962 -4.767 1.00 0.00 O ATOM 1001 CB VAL A 66 3.649 10.871 -2.659 1.00 0.00 C ATOM 1002 CG1 VAL A 66 2.952 9.659 -2.047 1.00 0.00 C ATOM 1003 CG2 VAL A 66 3.949 10.598 -4.130 1.00 0.00 C ATOM 0 H VAL A 66 1.063 11.414 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 66 2.914 12.568 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 66 4.582 11.060 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.600 8.787 -2.129 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.738 9.855 -0.996 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.019 9.469 -2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.598 9.726 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.017 10.409 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.447 11.464 -4.566 1.00 0.00 H new ATOM 1013 N LYS A 67 3.845 14.123 -3.303 1.00 0.00 N ATOM 1014 CA LYS A 67 4.214 15.148 -4.258 1.00 0.00 C ATOM 1015 C LYS A 67 5.375 14.663 -5.116 1.00 0.00 C ATOM 1016 O LYS A 67 6.506 14.577 -4.644 1.00 0.00 O ATOM 1017 CB LYS A 67 4.590 16.426 -3.513 1.00 0.00 C ATOM 1018 CG LYS A 67 5.846 16.178 -2.682 1.00 0.00 C ATOM 1019 CD LYS A 67 5.694 16.847 -1.318 1.00 0.00 C ATOM 1020 CE LYS A 67 6.814 17.865 -1.123 1.00 0.00 C ATOM 1021 NZ LYS A 67 6.417 19.188 -1.629 1.00 0.00 N ATOM 0 H LYS A 67 4.239 14.255 -2.372 1.00 0.00 H new ATOM 0 HA LYS A 67 3.369 15.360 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.764 17.236 -4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.769 16.738 -2.867 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.007 15.107 -2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.721 16.574 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.724 17.340 -1.249 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.728 16.097 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.065 17.937 -0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.711 17.528 -1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.195 19.863 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.200 19.121 -2.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.574 19.517 -1.116 1.00 0.00 H new ATOM 1035 N GLU A 68 5.091 14.348 -6.382 1.00 0.00 N ATOM 1036 CA GLU A 68 6.110 13.875 -7.297 1.00 0.00 C ATOM 1037 C GLU A 68 6.671 15.043 -8.097 1.00 0.00 C ATOM 1038 O GLU A 68 5.920 15.800 -8.707 1.00 0.00 O ATOM 1039 CB GLU A 68 5.512 12.822 -8.223 1.00 0.00 C ATOM 1040 CG GLU A 68 6.460 12.573 -9.392 1.00 0.00 C ATOM 1041 CD GLU A 68 5.825 13.002 -10.708 1.00 0.00 C ATOM 1042 OE1 GLU A 68 5.935 14.207 -11.026 1.00 0.00 O ATOM 1043 OE2 GLU A 68 5.241 12.118 -11.371 1.00 0.00 O ATOM 0 H GLU A 68 4.158 14.415 -6.789 1.00 0.00 H new ATOM 0 HA GLU A 68 6.927 13.423 -6.734 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.342 11.895 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.542 13.156 -8.592 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.389 13.122 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.719 11.515 -9.436 1.00 0.00 H new ATOM 1050 N GLY A 69 7.998 15.184 -8.096 1.00 0.00 N ATOM 1051 CA GLY A 69 8.650 16.257 -8.821 1.00 0.00 C ATOM 1052 C GLY A 69 8.025 17.596 -8.456 1.00 0.00 C ATOM 1053 O GLY A 69 8.147 18.055 -7.323 1.00 0.00 O ATOM 0 H GLY A 69 8.636 14.563 -7.598 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.715 16.269 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.561 16.087 -9.894 1.00 0.00 H new ATOM 1057 N ASP A 70 7.353 18.224 -9.424 1.00 0.00 N ATOM 1058 CA ASP A 70 6.714 19.506 -9.204 1.00 0.00 C ATOM 1059 C ASP A 70 5.203 19.330 -9.175 1.00 0.00 C ATOM 1060 O ASP A 70 4.467 20.193 -9.650 1.00 0.00 O ATOM 1061 CB ASP A 70 7.126 20.475 -10.309 1.00 0.00 C ATOM 1062 CG ASP A 70 8.613 20.788 -10.231 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.400 19.918 -10.665 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.937 21.891 -9.739 1.00 0.00 O ATOM 0 H ASP A 70 7.242 17.856 -10.369 1.00 0.00 H new ATOM 0 HA ASP A 70 7.030 19.915 -8.244 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.892 20.044 -11.282 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.551 21.397 -10.222 1.00 0.00 H new ATOM 1069 N ALA A 71 4.741 18.209 -8.617 1.00 0.00 N ATOM 1070 CA ALA A 71 3.323 17.926 -8.531 1.00 0.00 C ATOM 1071 C ALA A 71 3.048 17.021 -7.338 1.00 0.00 C ATOM 1072 O ALA A 71 3.934 16.782 -6.521 1.00 0.00 O ATOM 1073 CB ALA A 71 2.857 17.269 -9.827 1.00 0.00 C ATOM 0 H ALA A 71 5.339 17.485 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 71 2.771 18.855 -8.391 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.790 17.056 -9.764 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.043 17.942 -10.664 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.405 16.339 -9.981 1.00 0.00 H new ATOM 1079 N LYS A 72 1.816 16.517 -7.241 1.00 0.00 N ATOM 1080 CA LYS A 72 1.433 15.643 -6.151 1.00 0.00 C ATOM 1081 C LYS A 72 0.088 14.997 -6.452 1.00 0.00 C ATOM 1082 O LYS A 72 -0.884 15.688 -6.750 1.00 0.00 O ATOM 1083 CB LYS A 72 1.369 16.446 -4.855 1.00 0.00 C ATOM 1084 CG LYS A 72 0.329 17.554 -4.995 1.00 0.00 C ATOM 1085 CD LYS A 72 -0.917 17.190 -4.192 1.00 0.00 C ATOM 1086 CE LYS A 72 -0.838 17.834 -2.811 1.00 0.00 C ATOM 1087 NZ LYS A 72 0.087 17.097 -1.936 1.00 0.00 N ATOM 0 H LYS A 72 1.070 16.705 -7.911 1.00 0.00 H new ATOM 0 HA LYS A 72 2.175 14.852 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.110 15.792 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.346 16.875 -4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.740 18.499 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.070 17.693 -6.045 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.811 17.531 -4.713 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -0.997 16.107 -4.096 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.507 18.868 -2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.830 17.857 -2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.254 17.644 -1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.328 16.175 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.990 16.950 -2.431 1.00 0.00 H new ATOM 1101 N LYS A 73 0.035 13.665 -6.373 1.00 0.00 N ATOM 1102 CA LYS A 73 -1.189 12.934 -6.637 1.00 0.00 C ATOM 1103 C LYS A 73 -1.282 11.729 -5.712 1.00 0.00 C ATOM 1104 O LYS A 73 -0.308 11.383 -5.039 1.00 0.00 O ATOM 1105 CB LYS A 73 -1.212 12.495 -8.099 1.00 0.00 C ATOM 1106 CG LYS A 73 -1.024 13.714 -8.997 1.00 0.00 C ATOM 1107 CD LYS A 73 -2.290 14.566 -8.972 1.00 0.00 C ATOM 1108 CE LYS A 73 -2.880 14.642 -10.378 1.00 0.00 C ATOM 1109 NZ LYS A 73 -4.270 15.122 -10.341 1.00 0.00 N ATOM 0 H LYS A 73 0.832 13.077 -6.127 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.048 13.578 -6.449 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -0.422 11.768 -8.284 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.158 12.003 -8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.171 14.301 -8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -0.806 13.397 -10.017 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.017 14.136 -8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.060 15.567 -8.608 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.277 15.310 -10.994 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.844 13.658 -10.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.648 15.165 -11.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.847 14.470 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.298 16.071 -9.916 1.00 0.00 H new ATOM 1123 N LEU A 74 -2.452 11.092 -5.678 1.00 0.00 N ATOM 1124 CA LEU A 74 -2.684 9.927 -4.824 1.00 0.00 C ATOM 1125 C LEU A 74 -2.159 8.638 -5.461 1.00 0.00 C ATOM 1126 O LEU A 74 -2.516 8.295 -6.586 1.00 0.00 O ATOM 1127 CB LEU A 74 -4.180 9.794 -4.531 1.00 0.00 C ATOM 1128 CG LEU A 74 -4.976 8.984 -5.576 1.00 0.00 C ATOM 1129 CD1 LEU A 74 -6.450 8.883 -5.195 1.00 0.00 C ATOM 1130 CD2 LEU A 74 -4.832 9.597 -6.964 1.00 0.00 C ATOM 0 H LEU A 74 -3.260 11.366 -6.237 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.136 10.080 -3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.304 9.323 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.612 10.792 -4.460 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.560 7.977 -5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.983 8.307 -5.951 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.543 8.387 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.879 9.883 -5.132 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.402 9.008 -7.683 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.210 10.619 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.781 9.603 -7.252 1.00 0.00 H new ATOM 1142 N TYR A 75 -1.302 7.928 -4.725 1.00 0.00 N ATOM 1143 CA TYR A 75 -0.723 6.690 -5.207 1.00 0.00 C ATOM 1144 C TYR A 75 -1.299 5.514 -4.431 1.00 0.00 C ATOM 1145 O TYR A 75 -1.350 5.542 -3.204 1.00 0.00 O ATOM 1146 CB TYR A 75 0.794 6.747 -5.057 1.00 0.00 C ATOM 1147 CG TYR A 75 1.457 7.728 -5.996 1.00 0.00 C ATOM 1148 CD1 TYR A 75 0.912 9.005 -6.171 1.00 0.00 C ATOM 1149 CD2 TYR A 75 2.615 7.359 -6.690 1.00 0.00 C ATOM 1150 CE1 TYR A 75 1.526 9.915 -7.040 1.00 0.00 C ATOM 1151 CE2 TYR A 75 3.229 8.269 -7.559 1.00 0.00 C ATOM 1152 CZ TYR A 75 2.685 9.547 -7.735 1.00 0.00 C ATOM 1153 OH TYR A 75 3.283 10.432 -8.581 1.00 0.00 O ATOM 0 H TYR A 75 -0.998 8.198 -3.790 1.00 0.00 H new ATOM 0 HA TYR A 75 -0.966 6.557 -6.261 1.00 0.00 H new ATOM 0 HB2 TYR A 75 1.040 7.017 -4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.206 5.753 -5.233 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.018 9.289 -5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.035 6.373 -6.555 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.106 10.901 -7.174 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.123 7.985 -8.094 1.00 0.00 H new ATOM 0 HH TYR A 75 4.076 10.018 -8.981 1.00 0.00 H new ATOM 1163 N GLU A 76 -1.731 4.477 -5.152 1.00 0.00 N ATOM 1164 CA GLU A 76 -2.298 3.298 -4.527 1.00 0.00 C ATOM 1165 C GLU A 76 -1.183 2.377 -4.049 1.00 0.00 C ATOM 1166 O GLU A 76 -0.696 1.541 -4.806 1.00 0.00 O ATOM 1167 CB GLU A 76 -3.201 2.580 -5.525 1.00 0.00 C ATOM 1168 CG GLU A 76 -3.860 3.604 -6.444 1.00 0.00 C ATOM 1169 CD GLU A 76 -5.173 3.072 -6.999 1.00 0.00 C ATOM 1170 OE1 GLU A 76 -5.100 2.204 -7.897 1.00 0.00 O ATOM 1171 OE2 GLU A 76 -6.226 3.541 -6.515 1.00 0.00 O ATOM 0 H GLU A 76 -1.695 4.438 -6.171 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.893 3.592 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.619 1.870 -6.112 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.963 2.007 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.041 4.528 -5.895 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.186 3.848 -7.265 1.00 0.00 H new ATOM 1178 N ALA A 77 -0.782 2.534 -2.785 1.00 0.00 N ATOM 1179 CA ALA A 77 0.270 1.720 -2.211 1.00 0.00 C ATOM 1180 C ALA A 77 -0.321 0.435 -1.647 1.00 0.00 C ATOM 1181 O ALA A 77 -1.036 0.465 -0.648 1.00 0.00 O ATOM 1182 CB ALA A 77 0.986 2.510 -1.119 1.00 0.00 C ATOM 0 H ALA A 77 -1.177 3.223 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 77 0.992 1.456 -2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.778 1.898 -0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.419 3.413 -1.548 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.273 2.784 -0.341 1.00 0.00 H new ATOM 1188 N LYS A 78 -0.022 -0.694 -2.292 1.00 0.00 N ATOM 1189 CA LYS A 78 -0.524 -1.980 -1.853 1.00 0.00 C ATOM 1190 C LYS A 78 0.615 -2.819 -1.293 1.00 0.00 C ATOM 1191 O LYS A 78 1.722 -2.804 -1.827 1.00 0.00 O ATOM 1192 CB LYS A 78 -1.192 -2.692 -3.027 1.00 0.00 C ATOM 1193 CG LYS A 78 -0.460 -2.340 -4.318 1.00 0.00 C ATOM 1194 CD LYS A 78 0.068 -3.617 -4.967 1.00 0.00 C ATOM 1195 CE LYS A 78 -0.123 -3.534 -6.479 1.00 0.00 C ATOM 1196 NZ LYS A 78 0.283 -4.788 -7.132 1.00 0.00 N ATOM 0 H LYS A 78 0.568 -0.735 -3.123 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.261 -1.834 -1.064 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.175 -3.770 -2.869 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.239 -2.396 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.134 -1.823 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.364 -1.659 -4.107 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.124 -3.749 -4.729 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.459 -4.485 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.168 -3.324 -6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.463 -2.706 -6.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.143 -4.705 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.287 -4.974 -6.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.294 -5.572 -6.766 1.00 0.00 H new ATOM 1210 N VAL A 79 0.342 -3.551 -0.211 1.00 0.00 N ATOM 1211 CA VAL A 79 1.342 -4.390 0.418 1.00 0.00 C ATOM 1212 C VAL A 79 0.774 -5.784 0.648 1.00 0.00 C ATOM 1213 O VAL A 79 -0.423 -6.006 0.475 1.00 0.00 O ATOM 1214 CB VAL A 79 1.779 -3.760 1.737 1.00 0.00 C ATOM 1215 CG1 VAL A 79 2.851 -4.630 2.386 1.00 0.00 C ATOM 1216 CG2 VAL A 79 2.346 -2.368 1.471 1.00 0.00 C ATOM 0 H VAL A 79 -0.571 -3.574 0.244 1.00 0.00 H new ATOM 0 HA VAL A 79 2.212 -4.476 -0.233 1.00 0.00 H new ATOM 0 HB VAL A 79 0.921 -3.682 2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.163 -4.180 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.447 -5.625 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.710 -4.708 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.659 -1.916 2.413 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.204 -2.446 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.581 -1.746 1.007 1.00 0.00 H new ATOM 1226 N TRP A 80 1.636 -6.725 1.040 1.00 0.00 N ATOM 1227 CA TRP A 80 1.212 -8.088 1.292 1.00 0.00 C ATOM 1228 C TRP A 80 1.943 -8.640 2.507 1.00 0.00 C ATOM 1229 O TRP A 80 3.097 -9.054 2.409 1.00 0.00 O ATOM 1230 CB TRP A 80 1.491 -8.942 0.059 1.00 0.00 C ATOM 1231 CG TRP A 80 0.752 -10.241 0.014 1.00 0.00 C ATOM 1232 CD1 TRP A 80 -0.362 -10.530 0.720 1.00 0.00 C ATOM 1233 CD2 TRP A 80 1.052 -11.439 -0.766 1.00 0.00 C ATOM 1234 NE1 TRP A 80 -0.770 -11.817 0.434 1.00 0.00 N ATOM 1235 CE2 TRP A 80 0.069 -12.424 -0.479 1.00 0.00 C ATOM 1236 CE3 TRP A 80 2.055 -11.794 -1.685 1.00 0.00 C ATOM 1237 CZ2 TRP A 80 0.077 -13.690 -1.070 1.00 0.00 C ATOM 1238 CZ3 TRP A 80 2.073 -13.062 -2.284 1.00 0.00 C ATOM 1239 CH2 TRP A 80 1.089 -14.010 -1.980 1.00 0.00 C ATOM 0 H TRP A 80 2.632 -6.559 1.188 1.00 0.00 H new ATOM 0 HA TRP A 80 0.142 -8.108 1.498 1.00 0.00 H new ATOM 0 HB2 TRP A 80 1.237 -8.365 -0.830 1.00 0.00 H new ATOM 0 HB3 TRP A 80 2.560 -9.147 0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -0.858 -9.857 1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.589 -12.264 0.846 1.00 0.00 H new ATOM 0 HE3 TRP A 80 2.825 -11.078 -1.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.689 -14.412 -0.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 2.854 -13.310 -2.987 1.00 0.00 H new ATOM 0 HH2 TRP A 80 1.111 -14.984 -2.446 1.00 0.00 H new ATOM 1250 N GLU A 81 1.266 -8.647 3.659 1.00 0.00 N ATOM 1251 CA GLU A 81 1.853 -9.149 4.884 1.00 0.00 C ATOM 1252 C GLU A 81 1.151 -10.431 5.309 1.00 0.00 C ATOM 1253 O GLU A 81 0.090 -10.765 4.786 1.00 0.00 O ATOM 1254 CB GLU A 81 1.741 -8.085 5.974 1.00 0.00 C ATOM 1255 CG GLU A 81 0.323 -7.521 5.991 1.00 0.00 C ATOM 1256 CD GLU A 81 -0.510 -8.180 7.079 1.00 0.00 C ATOM 1257 OE1 GLU A 81 -0.395 -9.418 7.212 1.00 0.00 O ATOM 1258 OE2 GLU A 81 -1.248 -7.434 7.759 1.00 0.00 O ATOM 0 H GLU A 81 0.309 -8.308 3.759 1.00 0.00 H new ATOM 0 HA GLU A 81 2.907 -9.374 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.984 -8.517 6.945 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.460 -7.286 5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.358 -6.444 6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.148 -7.680 5.021 1.00 0.00 H new ATOM 1265 N LYS A 82 1.747 -11.151 6.262 1.00 0.00 N ATOM 1266 CA LYS A 82 1.178 -12.390 6.753 1.00 0.00 C ATOM 1267 C LYS A 82 1.477 -12.546 8.238 1.00 0.00 C ATOM 1268 O LYS A 82 2.634 -12.681 8.630 1.00 0.00 O ATOM 1269 CB LYS A 82 1.752 -13.561 5.960 1.00 0.00 C ATOM 1270 CG LYS A 82 1.841 -13.181 4.485 1.00 0.00 C ATOM 1271 CD LYS A 82 2.693 -14.208 3.744 1.00 0.00 C ATOM 1272 CE LYS A 82 1.985 -14.624 2.458 1.00 0.00 C ATOM 1273 NZ LYS A 82 2.913 -15.301 1.540 1.00 0.00 N ATOM 0 H LYS A 82 2.627 -10.888 6.705 1.00 0.00 H new ATOM 0 HA LYS A 82 0.096 -12.374 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.740 -13.822 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.121 -14.441 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.843 -13.138 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.277 -12.188 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.671 -13.786 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.863 -15.079 4.376 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.154 -15.288 2.695 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.562 -13.745 1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.407 -15.574 0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.693 -14.657 1.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.297 -16.152 1.999 1.00 0.00 H new ATOM 1287 N PRO A 83 0.428 -12.527 9.063 1.00 0.00 N ATOM 1288 CA PRO A 83 0.519 -12.662 10.500 1.00 0.00 C ATOM 1289 C PRO A 83 0.864 -14.102 10.857 1.00 0.00 C ATOM 1290 O PRO A 83 1.726 -14.346 11.697 1.00 0.00 O ATOM 1291 CB PRO A 83 -0.868 -12.287 11.018 1.00 0.00 C ATOM 1292 CG PRO A 83 -1.783 -12.705 9.867 1.00 0.00 C ATOM 1293 CD PRO A 83 -0.946 -12.370 8.634 1.00 0.00 C ATOM 0 HA PRO A 83 1.293 -12.031 10.937 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.112 -12.814 11.940 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.946 -11.221 11.230 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -2.031 -13.765 9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.725 -12.156 9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.180 -13.037 7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.139 -11.354 8.290 1.00 0.00 H new ATOM 1301 N TRP A 84 0.185 -15.055 10.215 1.00 0.00 N ATOM 1302 CA TRP A 84 0.425 -16.462 10.470 1.00 0.00 C ATOM 1303 C TRP A 84 1.921 -16.740 10.473 1.00 0.00 C ATOM 1304 O TRP A 84 2.360 -17.791 10.935 1.00 0.00 O ATOM 1305 CB TRP A 84 -0.279 -17.298 9.404 1.00 0.00 C ATOM 1306 CG TRP A 84 0.368 -17.274 8.057 1.00 0.00 C ATOM 1307 CD1 TRP A 84 1.433 -18.019 7.690 1.00 0.00 C ATOM 1308 CD2 TRP A 84 0.016 -16.477 6.884 1.00 0.00 C ATOM 1309 NE1 TRP A 84 1.762 -17.741 6.379 1.00 0.00 N ATOM 1310 CE2 TRP A 84 0.918 -16.795 5.834 1.00 0.00 C ATOM 1311 CE3 TRP A 84 -0.975 -15.520 6.601 1.00 0.00 C ATOM 1312 CZ2 TRP A 84 0.844 -16.196 4.573 1.00 0.00 C ATOM 1313 CZ3 TRP A 84 -1.057 -14.913 5.340 1.00 0.00 C ATOM 1314 CH2 TRP A 84 -0.152 -15.248 4.326 1.00 0.00 C ATOM 0 H TRP A 84 -0.534 -14.870 9.516 1.00 0.00 H new ATOM 0 HA TRP A 84 0.025 -16.731 11.448 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.330 -18.331 9.748 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -1.305 -16.944 9.305 1.00 0.00 H new ATOM 0 HD1 TRP A 84 1.948 -18.724 8.325 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.533 -18.180 5.876 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -1.685 -15.248 7.368 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 1.548 -16.463 3.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.826 -14.179 5.149 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -0.223 -14.776 3.357 1.00 0.00 H new ATOM 1325 N MET A 85 2.705 -15.793 9.953 1.00 0.00 N ATOM 1326 CA MET A 85 4.145 -15.942 9.897 1.00 0.00 C ATOM 1327 C MET A 85 4.813 -14.584 10.068 1.00 0.00 C ATOM 1328 O MET A 85 6.020 -14.454 9.875 1.00 0.00 O ATOM 1329 CB MET A 85 4.539 -16.572 8.564 1.00 0.00 C ATOM 1330 CG MET A 85 4.238 -15.597 7.430 1.00 0.00 C ATOM 1331 SD MET A 85 4.525 -16.278 5.778 1.00 0.00 S ATOM 1332 CE MET A 85 6.323 -16.095 5.697 1.00 0.00 C ATOM 0 H MET A 85 2.357 -14.916 9.566 1.00 0.00 H new ATOM 0 HA MET A 85 4.478 -16.593 10.706 1.00 0.00 H new ATOM 0 HB2 MET A 85 5.599 -16.824 8.569 1.00 0.00 H new ATOM 0 HB3 MET A 85 3.991 -17.502 8.413 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.198 -15.278 7.505 1.00 0.00 H new ATOM 0 HG3 MET A 85 4.854 -14.707 7.557 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.688 -16.499 4.753 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.585 -15.039 5.765 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.781 -16.636 6.525 1.00 0.00 H new ATOM 1342 N ASP A 86 4.022 -13.573 10.432 1.00 0.00 N ATOM 1343 CA ASP A 86 4.538 -12.232 10.627 1.00 0.00 C ATOM 1344 C ASP A 86 5.498 -11.880 9.499 1.00 0.00 C ATOM 1345 O ASP A 86 6.711 -12.004 9.653 1.00 0.00 O ATOM 1346 CB ASP A 86 5.239 -12.150 11.979 1.00 0.00 C ATOM 1347 CG ASP A 86 4.245 -11.844 13.091 1.00 0.00 C ATOM 1348 OD1 ASP A 86 3.713 -10.713 13.081 1.00 0.00 O ATOM 1349 OD2 ASP A 86 4.033 -12.748 13.928 1.00 0.00 O ATOM 0 H ASP A 86 3.020 -13.666 10.596 1.00 0.00 H new ATOM 0 HA ASP A 86 3.716 -11.516 10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.745 -13.092 12.188 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.006 -11.376 11.949 1.00 0.00 H new ATOM 1354 N PHE A 87 4.952 -11.441 8.363 1.00 0.00 N ATOM 1355 CA PHE A 87 5.762 -11.075 7.219 1.00 0.00 C ATOM 1356 C PHE A 87 5.086 -9.953 6.445 1.00 0.00 C ATOM 1357 O PHE A 87 3.937 -9.611 6.717 1.00 0.00 O ATOM 1358 CB PHE A 87 5.966 -12.299 6.330 1.00 0.00 C ATOM 1359 CG PHE A 87 6.309 -11.955 4.900 1.00 0.00 C ATOM 1360 CD1 PHE A 87 5.288 -11.762 3.963 1.00 0.00 C ATOM 1361 CD2 PHE A 87 7.649 -11.827 4.512 1.00 0.00 C ATOM 1362 CE1 PHE A 87 5.605 -11.441 2.637 1.00 0.00 C ATOM 1363 CE2 PHE A 87 7.966 -11.505 3.188 1.00 0.00 C ATOM 1364 CZ PHE A 87 6.945 -11.313 2.250 1.00 0.00 C ATOM 0 H PHE A 87 3.948 -11.333 8.219 1.00 0.00 H new ATOM 0 HA PHE A 87 6.736 -10.720 7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.763 -12.913 6.749 1.00 0.00 H new ATOM 0 HB3 PHE A 87 5.058 -12.902 6.342 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.255 -11.861 4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 87 8.437 -11.977 5.235 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.817 -11.292 1.914 1.00 0.00 H new ATOM 0 HE2 PHE A 87 8.999 -11.405 2.889 1.00 0.00 H new ATOM 0 HZ PHE A 87 7.190 -11.066 1.228 1.00 0.00 H new ATOM 1374 N LYS A 88 5.802 -9.379 5.475 1.00 0.00 N ATOM 1375 CA LYS A 88 5.268 -8.301 4.668 1.00 0.00 C ATOM 1376 C LYS A 88 6.282 -7.897 3.607 1.00 0.00 C ATOM 1377 O LYS A 88 7.486 -8.024 3.813 1.00 0.00 O ATOM 1378 CB LYS A 88 4.926 -7.115 5.567 1.00 0.00 C ATOM 1379 CG LYS A 88 6.214 -6.477 6.077 1.00 0.00 C ATOM 1380 CD LYS A 88 6.312 -5.043 5.562 1.00 0.00 C ATOM 1381 CE LYS A 88 7.082 -4.193 6.567 1.00 0.00 C ATOM 1382 NZ LYS A 88 8.032 -3.299 5.885 1.00 0.00 N ATOM 0 H LYS A 88 6.756 -9.650 5.236 1.00 0.00 H new ATOM 0 HA LYS A 88 4.360 -8.635 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.339 -6.382 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.314 -7.445 6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.229 -6.485 7.167 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.076 -7.054 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.815 -5.026 4.595 1.00 0.00 H new ATOM 0 HD3 LYS A 88 5.314 -4.631 5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.383 -3.603 7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.620 -4.841 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.224 -2.472 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.920 -3.809 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.624 -2.983 4.982 1.00 0.00 H new ATOM 1396 N GLU A 89 5.789 -7.409 2.465 1.00 0.00 N ATOM 1397 CA GLU A 89 6.654 -6.990 1.380 1.00 0.00 C ATOM 1398 C GLU A 89 5.896 -6.059 0.444 1.00 0.00 C ATOM 1399 O GLU A 89 4.777 -6.365 0.031 1.00 0.00 O ATOM 1400 CB GLU A 89 7.158 -8.218 0.629 1.00 0.00 C ATOM 1401 CG GLU A 89 8.246 -7.802 -0.356 1.00 0.00 C ATOM 1402 CD GLU A 89 9.563 -8.494 -0.035 1.00 0.00 C ATOM 1403 OE1 GLU A 89 9.635 -9.717 -0.279 1.00 0.00 O ATOM 1404 OE2 GLU A 89 10.473 -7.786 0.447 1.00 0.00 O ATOM 0 H GLU A 89 4.793 -7.298 2.276 1.00 0.00 H new ATOM 0 HA GLU A 89 7.511 -6.449 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.551 -8.952 1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.335 -8.695 0.097 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.938 -8.051 -1.371 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.380 -6.721 -0.320 1.00 0.00 H new ATOM 1411 N LEU A 90 6.509 -4.923 0.110 1.00 0.00 N ATOM 1412 CA LEU A 90 5.892 -3.933 -0.773 1.00 0.00 C ATOM 1413 C LEU A 90 5.672 -4.482 -2.185 1.00 0.00 C ATOM 1414 O LEU A 90 6.584 -5.026 -2.805 1.00 0.00 O ATOM 1415 CB LEU A 90 6.769 -2.680 -0.833 1.00 0.00 C ATOM 1416 CG LEU A 90 6.086 -1.438 -1.444 1.00 0.00 C ATOM 1417 CD1 LEU A 90 5.456 -1.762 -2.796 1.00 0.00 C ATOM 1418 CD2 LEU A 90 5.037 -0.872 -0.495 1.00 0.00 C ATOM 0 H LEU A 90 7.439 -4.665 0.440 1.00 0.00 H new ATOM 0 HA LEU A 90 4.914 -3.684 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.098 -2.436 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.663 -2.907 -1.413 1.00 0.00 H new ATOM 0 HG LEU A 90 6.857 -0.683 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.983 -0.867 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.228 -2.107 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.707 -2.543 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.570 0.002 -0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.277 -1.629 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.512 -0.584 0.443 1.00 0.00 H new ATOM 1430 N GLN A 91 4.442 -4.337 -2.684 1.00 0.00 N ATOM 1431 CA GLN A 91 4.093 -4.816 -4.006 1.00 0.00 C ATOM 1432 C GLN A 91 4.170 -3.672 -5.008 1.00 0.00 C ATOM 1433 O GLN A 91 4.638 -3.855 -6.129 1.00 0.00 O ATOM 1434 CB GLN A 91 2.690 -5.414 -3.974 1.00 0.00 C ATOM 1435 CG GLN A 91 2.732 -6.777 -3.288 1.00 0.00 C ATOM 1436 CD GLN A 91 2.326 -7.882 -4.251 1.00 0.00 C ATOM 1437 OE1 GLN A 91 1.381 -7.723 -5.021 1.00 0.00 O ATOM 1438 NE2 GLN A 91 3.042 -9.009 -4.206 1.00 0.00 N ATOM 0 H GLN A 91 3.675 -3.889 -2.183 1.00 0.00 H new ATOM 0 HA GLN A 91 4.797 -5.589 -4.315 1.00 0.00 H new ATOM 0 HB2 GLN A 91 2.011 -4.748 -3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 91 2.304 -5.517 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.737 -6.968 -2.912 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.064 -6.776 -2.427 1.00 0.00 H new ATOM 0 HE21 GLN A 91 3.818 -9.094 -3.550 1.00 0.00 H new ATOM 0 HE22 GLN A 91 2.813 -9.784 -4.828 1.00 0.00 H new ATOM 1447 N GLU A 92 3.707 -2.489 -4.599 1.00 0.00 N ATOM 1448 CA GLU A 92 3.726 -1.324 -5.461 1.00 0.00 C ATOM 1449 C GLU A 92 2.922 -0.196 -4.829 1.00 0.00 C ATOM 1450 O GLU A 92 2.155 -0.423 -3.896 1.00 0.00 O ATOM 1451 CB GLU A 92 3.156 -1.694 -6.827 1.00 0.00 C ATOM 1452 CG GLU A 92 4.220 -1.472 -7.899 1.00 0.00 C ATOM 1453 CD GLU A 92 4.110 -2.519 -8.999 1.00 0.00 C ATOM 1454 OE1 GLU A 92 3.069 -2.508 -9.691 1.00 0.00 O ATOM 1455 OE2 GLU A 92 5.069 -3.311 -9.126 1.00 0.00 O ATOM 0 H GLU A 92 3.315 -2.321 -3.672 1.00 0.00 H new ATOM 0 HA GLU A 92 4.753 -0.981 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 92 2.834 -2.735 -6.829 1.00 0.00 H new ATOM 0 HB3 GLU A 92 2.276 -1.088 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.108 -0.476 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.211 -1.516 -7.448 1.00 0.00 H new ATOM 1462 N PHE A 93 3.100 1.024 -5.343 1.00 0.00 N ATOM 1463 CA PHE A 93 2.391 2.178 -4.828 1.00 0.00 C ATOM 1464 C PHE A 93 2.435 3.308 -5.848 1.00 0.00 C ATOM 1465 O PHE A 93 3.411 4.052 -5.914 1.00 0.00 O ATOM 1466 CB PHE A 93 3.024 2.615 -3.510 1.00 0.00 C ATOM 1467 CG PHE A 93 4.131 3.628 -3.679 1.00 0.00 C ATOM 1468 CD1 PHE A 93 5.387 3.222 -4.145 1.00 0.00 C ATOM 1469 CD2 PHE A 93 3.902 4.974 -3.367 1.00 0.00 C ATOM 1470 CE1 PHE A 93 6.414 4.161 -4.299 1.00 0.00 C ATOM 1471 CE2 PHE A 93 4.929 5.913 -3.522 1.00 0.00 C ATOM 1472 CZ PHE A 93 6.185 5.506 -3.988 1.00 0.00 C ATOM 0 H PHE A 93 3.732 1.229 -6.117 1.00 0.00 H new ATOM 0 HA PHE A 93 1.348 1.919 -4.647 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.251 3.037 -2.868 1.00 0.00 H new ATOM 0 HB3 PHE A 93 3.420 1.738 -2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.564 2.184 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 93 2.933 5.288 -3.007 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.383 3.847 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 93 4.752 6.951 -3.282 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.977 6.230 -4.107 1.00 0.00 H new ATOM 1482 N LYS A 94 1.371 3.433 -6.645 1.00 0.00 N ATOM 1483 CA LYS A 94 1.294 4.470 -7.656 1.00 0.00 C ATOM 1484 C LYS A 94 -0.157 4.692 -8.058 1.00 0.00 C ATOM 1485 O LYS A 94 -1.030 3.901 -7.710 1.00 0.00 O ATOM 1486 CB LYS A 94 2.133 4.064 -8.864 1.00 0.00 C ATOM 1487 CG LYS A 94 3.416 4.890 -8.892 1.00 0.00 C ATOM 1488 CD LYS A 94 4.505 4.115 -9.628 1.00 0.00 C ATOM 1489 CE LYS A 94 4.890 2.882 -8.816 1.00 0.00 C ATOM 1490 NZ LYS A 94 5.928 3.205 -7.825 1.00 0.00 N ATOM 0 H LYS A 94 0.554 2.824 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 94 1.686 5.404 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.373 3.002 -8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.567 4.220 -9.782 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.236 5.844 -9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.739 5.115 -7.875 1.00 0.00 H new ATOM 0 HD2 LYS A 94 4.150 3.817 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.378 4.750 -9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 94 4.010 2.486 -8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.251 2.100 -9.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.688 2.497 -7.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.318 4.148 -8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.512 3.199 -6.872 1.00 0.00 H new ATOM 1504 N PRO A 95 -0.412 5.776 -8.795 1.00 0.00 N ATOM 1505 CA PRO A 95 -1.727 6.149 -9.270 1.00 0.00 C ATOM 1506 C PRO A 95 -2.154 5.204 -10.384 1.00 0.00 C ATOM 1507 O PRO A 95 -3.227 5.366 -10.961 1.00 0.00 O ATOM 1508 CB PRO A 95 -1.565 7.575 -9.793 1.00 0.00 C ATOM 1509 CG PRO A 95 -0.111 7.600 -10.261 1.00 0.00 C ATOM 1510 CD PRO A 95 0.591 6.728 -9.222 1.00 0.00 C ATOM 0 HA PRO A 95 -2.491 6.092 -8.494 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.256 7.788 -10.608 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -1.752 8.315 -9.015 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.003 7.197 -11.268 1.00 0.00 H new ATOM 0 HG3 PRO A 95 0.292 8.613 -10.278 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.457 6.224 -9.650 1.00 0.00 H new ATOM 0 HD3 PRO A 95 0.951 7.325 -8.384 1.00 0.00 H new ATOM 1518 N VAL A 96 -1.309 4.215 -10.686 1.00 0.00 N ATOM 1519 CA VAL A 96 -1.601 3.253 -11.729 1.00 0.00 C ATOM 1520 C VAL A 96 -2.014 3.980 -13.000 1.00 0.00 C ATOM 1521 O VAL A 96 -3.200 4.198 -13.237 1.00 0.00 O ATOM 1522 CB VAL A 96 -2.709 2.315 -11.259 1.00 0.00 C ATOM 1523 CG1 VAL A 96 -3.056 1.336 -12.376 1.00 0.00 C ATOM 1524 CG2 VAL A 96 -2.232 1.539 -10.034 1.00 0.00 C ATOM 0 H VAL A 96 -0.416 4.067 -10.216 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.710 2.663 -11.944 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.593 2.898 -11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.847 0.666 -12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.396 1.889 -13.252 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.173 0.752 -12.636 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.023 0.869 -9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.348 0.956 -10.294 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.984 2.237 -9.235 1.00 0.00 H new ATOM 1534 N ASP A 97 -1.030 4.355 -13.822 1.00 0.00 N ATOM 1535 CA ASP A 97 -1.296 5.054 -15.063 1.00 0.00 C ATOM 1536 C ASP A 97 -1.628 4.052 -16.159 1.00 0.00 C ATOM 1537 O ASP A 97 -1.229 2.891 -16.083 1.00 0.00 O ATOM 1538 CB ASP A 97 -0.076 5.889 -15.446 1.00 0.00 C ATOM 1539 CG ASP A 97 -0.244 7.332 -14.996 1.00 0.00 C ATOM 1540 OD1 ASP A 97 -1.269 7.934 -15.386 1.00 0.00 O ATOM 1541 OD2 ASP A 97 0.656 7.809 -14.272 1.00 0.00 O ATOM 0 H ASP A 97 -0.041 4.181 -13.641 1.00 0.00 H new ATOM 0 HA ASP A 97 -2.151 5.718 -14.935 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.818 5.464 -14.991 1.00 0.00 H new ATOM 0 HB3 ASP A 97 0.069 5.855 -16.526 1.00 0.00 H new ATOM 1546 N ALA A 98 -2.363 4.501 -17.179 1.00 0.00 N ATOM 1547 CA ALA A 98 -2.746 3.642 -18.281 1.00 0.00 C ATOM 1548 C ALA A 98 -3.626 2.510 -17.772 1.00 0.00 C ATOM 1549 O ALA A 98 -3.126 1.532 -17.221 1.00 0.00 O ATOM 1550 CB ALA A 98 -1.492 3.091 -18.955 1.00 0.00 C ATOM 0 H ALA A 98 -2.702 5.460 -17.256 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.314 4.216 -19.013 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -1.779 2.444 -19.784 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.888 3.917 -19.331 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.912 2.518 -18.232 1.00 0.00 H new ATOM 1556 N SER A 99 -4.941 2.646 -17.957 1.00 0.00 N ATOM 1557 CA SER A 99 -5.882 1.636 -17.517 1.00 0.00 C ATOM 1558 C SER A 99 -5.779 0.407 -18.411 1.00 0.00 C ATOM 1559 O SER A 99 -6.076 0.475 -19.601 1.00 0.00 O ATOM 1560 CB SER A 99 -7.296 2.210 -17.548 1.00 0.00 C ATOM 1561 OG SER A 99 -8.125 1.464 -16.685 1.00 0.00 O ATOM 0 H SER A 99 -5.371 3.452 -18.411 1.00 0.00 H new ATOM 0 HA SER A 99 -5.647 1.337 -16.495 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.282 3.256 -17.242 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.690 2.180 -18.564 1.00 0.00 H new ATOM 0 HG SER A 99 -9.033 1.833 -16.703 1.00 0.00 H new ATOM 1567 N ALA A 100 -5.355 -0.719 -17.832 1.00 0.00 N ATOM 1568 CA ALA A 100 -5.213 -1.954 -18.575 1.00 0.00 C ATOM 1569 C ALA A 100 -4.975 -3.110 -17.614 1.00 0.00 C ATOM 1570 O ALA A 100 -4.071 -3.054 -16.784 1.00 0.00 O ATOM 1571 CB ALA A 100 -4.057 -1.823 -19.562 1.00 0.00 C ATOM 0 H ALA A 100 -5.105 -0.791 -16.846 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.128 -2.155 -19.133 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.949 -2.752 -20.122 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.259 -1.005 -20.253 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.135 -1.619 -19.018 1.00 0.00 H new ATOM 1577 N ASN A 101 -5.791 -4.161 -17.729 1.00 0.00 N ATOM 1578 CA ASN A 101 -5.664 -5.321 -16.871 1.00 0.00 C ATOM 1579 C ASN A 101 -5.344 -6.553 -17.707 1.00 0.00 C ATOM 1580 O ASN A 101 -5.741 -6.640 -18.866 1.00 0.00 O ATOM 1581 CB ASN A 101 -6.960 -5.520 -16.091 1.00 0.00 C ATOM 1582 CG ASN A 101 -6.787 -6.578 -15.010 1.00 0.00 C ATOM 1583 OD1 ASN A 101 -5.843 -6.518 -14.226 1.00 0.00 O ATOM 1584 ND2 ASN A 101 -7.704 -7.548 -14.969 1.00 0.00 N ATOM 0 H ASN A 101 -6.546 -4.224 -18.412 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.849 -5.166 -16.164 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.264 -4.577 -15.637 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.757 -5.818 -16.772 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -7.638 -8.282 -14.264 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.470 -7.554 -15.642 1.00 0.00 H new ATOM 1591 N ALA A 102 -4.622 -7.506 -17.114 1.00 0.00 N ATOM 1592 CA ALA A 102 -4.252 -8.726 -17.803 1.00 0.00 C ATOM 1593 C ALA A 102 -5.504 -9.490 -18.207 1.00 0.00 C ATOM 1594 O ALA A 102 -5.450 -10.363 -19.071 1.00 0.00 O ATOM 1595 CB ALA A 102 -3.369 -9.575 -16.894 1.00 0.00 C ATOM 1596 OXT ALA A 102 -6.584 -9.243 -17.672 1.00 0.00 O ATOM 0 H ALA A 102 -4.285 -7.448 -16.153 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.692 -8.483 -18.706 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.090 -10.493 -17.412 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.469 -9.016 -16.636 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -3.916 -9.823 -15.984 1.00 0.00 H new TER 1602 ALA A 102