USER MOD reduce.3.24.130724 H: found=0, std=0, add=785, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 785 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 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.964 K(o=1.3,f=-5!) USER MOD Set 1.3: A 67 ASN : amide:sc= 0.307 X(o=1.3,f=1) USER MOD Set 2.1: A 54 LYS NZ :NH3+ 177:sc= 1.42 (180deg=0.181) USER MOD Set 2.2: A 88 TYR OH : rot -30:sc= 0.94 USER MOD Set 3.1: A 37 ASN : amide:sc= 1.48 K(o=2.8,f=1.8) USER MOD Set 3.2: A 74 SER OG : rot 49:sc= 1.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.104) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.47) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.13 (180deg=1.03) USER MOD Single : A 8 GLN : amide:sc= -0.636! C(o=-0.64!,f=-4.2!) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0293 F(o=-1.3!,f=-0.029) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -110:sc= 1.23 USER MOD Single : A 20 ASN : amide:sc= 1.27 K(o=1.3,f=-0.072) USER MOD Single : A 21 ASN : amide:sc= -0.0646 K(o=-0.065,f=-2.8!) USER MOD Single : A 27 THR OG1 : rot -54:sc= 1.62 USER MOD Single : A 33 ASN : amide:sc= -0.0304 K(o=-0.03,f=-1.8!) USER MOD Single : A 34 ASN : amide:sc= 0.0265 X(o=0.027,f=-0.38) USER MOD Single : A 40 HIS : no HD1:sc= -0.0958 X(o=-0.096,f=0.0089) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 44 SER OG : rot -86:sc= 1.08 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0.867 (180deg=0.0812!) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc=-0.00941 (180deg=-0.108) USER MOD Single : A 75 CYS SG : rot 45:sc= -2.48! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -115:sc= -0.308 (180deg=-0.972) USER MOD Single : A 80 HIS : no HE2:sc= 0.922 K(o=0.92,f=-5.4!) USER MOD Single : A 81 MET CE :methyl -151:sc= -0.131 (180deg=-0.634) USER MOD Single : A 84 LYS NZ :NH3+ -166:sc= -0.0579 (180deg=-0.319) USER MOD Single : A 87 SER OG : rot -116:sc= 1.25 USER MOD Single : A 89 GLN :FLIP amide:sc= -0.0415 F(o=-1.7!,f=-0.041) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 99 HIS : no HD1:sc= -0.129 K(o=-0.13,f=-2.7!) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 102 HIS : no HD1:sc=-0.00642 X(o=-0.0064,f=-0.0094) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.090 5.437 -12.087 1.00 0.00 N ATOM 2 CA MET A 1 25.057 4.489 -10.952 1.00 0.00 C ATOM 3 C MET A 1 23.648 4.386 -10.382 1.00 0.00 C ATOM 4 O MET A 1 23.175 5.301 -9.705 1.00 0.00 O ATOM 5 CB MET A 1 26.021 4.941 -9.852 1.00 0.00 C ATOM 6 CG MET A 1 27.483 4.913 -10.267 1.00 0.00 C ATOM 7 SD MET A 1 28.591 5.447 -8.948 1.00 0.00 S ATOM 8 CE MET A 1 30.180 5.253 -9.756 1.00 0.00 C ATOM 0 H1 MET A 1 26.009 5.370 -12.569 1.00 0.00 H new ATOM 0 H2 MET A 1 24.330 5.203 -12.757 1.00 0.00 H new ATOM 0 H3 MET A 1 24.954 6.406 -11.734 1.00 0.00 H new ATOM 0 HA MET A 1 25.365 3.510 -11.319 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.759 5.954 -9.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.888 4.301 -8.980 1.00 0.00 H new ATOM 0 HG2 MET A 1 27.750 3.902 -10.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 27.622 5.556 -11.136 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.975 5.544 -9.070 1.00 0.00 H new ATOM 0 HE2 MET A 1 30.315 4.211 -10.048 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.217 5.886 -10.643 1.00 0.00 H new ATOM 20 N SER A 2 22.976 3.278 -10.667 1.00 0.00 N ATOM 21 CA SER A 2 21.640 3.044 -10.148 1.00 0.00 C ATOM 22 C SER A 2 21.708 2.732 -8.659 1.00 0.00 C ATOM 23 O SER A 2 22.496 1.890 -8.229 1.00 0.00 O ATOM 24 CB SER A 2 20.980 1.888 -10.896 1.00 0.00 C ATOM 25 OG SER A 2 20.960 2.124 -12.293 1.00 0.00 O ATOM 0 H SER A 2 23.337 2.528 -11.256 1.00 0.00 H new ATOM 0 HA SER A 2 21.042 3.943 -10.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.519 0.963 -10.689 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.961 1.752 -10.533 1.00 0.00 H new ATOM 0 HG SER A 2 20.533 1.367 -12.747 1.00 0.00 H new ATOM 31 N ASN A 3 20.892 3.422 -7.878 1.00 0.00 N ATOM 32 CA ASN A 3 20.882 3.234 -6.434 1.00 0.00 C ATOM 33 C ASN A 3 19.453 3.139 -5.916 1.00 0.00 C ATOM 34 O ASN A 3 19.191 2.474 -4.913 1.00 0.00 O ATOM 35 CB ASN A 3 21.639 4.371 -5.733 1.00 0.00 C ATOM 36 CG ASN A 3 21.055 5.745 -6.014 1.00 0.00 C ATOM 37 OD1 ASN A 3 20.202 6.232 -5.276 1.00 0.00 O ATOM 38 ND2 ASN A 3 21.517 6.381 -7.081 1.00 0.00 N ATOM 0 H ASN A 3 20.228 4.117 -8.219 1.00 0.00 H new ATOM 0 HA ASN A 3 21.391 2.297 -6.208 1.00 0.00 H new ATOM 0 HB2 ASN A 3 21.632 4.194 -4.658 1.00 0.00 H new ATOM 0 HB3 ASN A 3 22.681 4.355 -6.052 1.00 0.00 H new ATOM 0 HD21 ASN A 3 21.164 7.309 -7.314 1.00 0.00 H new ATOM 0 HD22 ASN A 3 22.226 5.942 -7.669 1.00 0.00 H new ATOM 45 N LEU A 4 18.528 3.785 -6.614 1.00 0.00 N ATOM 46 CA LEU A 4 17.122 3.732 -6.247 1.00 0.00 C ATOM 47 C LEU A 4 16.470 2.498 -6.857 1.00 0.00 C ATOM 48 O LEU A 4 15.927 2.546 -7.964 1.00 0.00 O ATOM 49 CB LEU A 4 16.388 4.995 -6.708 1.00 0.00 C ATOM 50 CG LEU A 4 16.886 6.305 -6.092 1.00 0.00 C ATOM 51 CD1 LEU A 4 16.137 7.488 -6.688 1.00 0.00 C ATOM 52 CD2 LEU A 4 16.723 6.279 -4.578 1.00 0.00 C ATOM 0 H LEU A 4 18.728 4.352 -7.438 1.00 0.00 H new ATOM 0 HA LEU A 4 17.054 3.674 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 4 16.472 5.068 -7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 4 15.329 4.884 -6.477 1.00 0.00 H new ATOM 0 HG LEU A 4 17.946 6.414 -6.321 1.00 0.00 H new ATOM 0 HD11 LEU A 4 16.502 8.412 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 4 16.301 7.517 -7.765 1.00 0.00 H new ATOM 0 HD13 LEU A 4 15.071 7.383 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU A 4 17.082 7.218 -4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 4 15.670 6.148 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 4 17.300 5.452 -4.164 1.00 0.00 H new ATOM 64 N GLU A 5 16.566 1.387 -6.147 1.00 0.00 N ATOM 65 CA GLU A 5 16.016 0.129 -6.621 1.00 0.00 C ATOM 66 C GLU A 5 14.721 -0.199 -5.895 1.00 0.00 C ATOM 67 O GLU A 5 14.524 0.195 -4.743 1.00 0.00 O ATOM 68 CB GLU A 5 17.022 -1.003 -6.419 1.00 0.00 C ATOM 69 CG GLU A 5 17.406 -1.217 -4.966 1.00 0.00 C ATOM 70 CD GLU A 5 18.323 -2.400 -4.779 1.00 0.00 C ATOM 71 OE1 GLU A 5 19.549 -2.229 -4.923 1.00 0.00 O ATOM 72 OE2 GLU A 5 17.823 -3.504 -4.471 1.00 0.00 O ATOM 0 H GLU A 5 17.022 1.331 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 5 15.805 0.232 -7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 5 16.602 -1.927 -6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 5 17.921 -0.787 -6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.894 -0.319 -4.587 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.503 -1.364 -4.373 1.00 0.00 H new ATOM 79 N ILE A 6 13.845 -0.923 -6.565 1.00 0.00 N ATOM 80 CA ILE A 6 12.587 -1.326 -5.969 1.00 0.00 C ATOM 81 C ILE A 6 12.706 -2.737 -5.405 1.00 0.00 C ATOM 82 O ILE A 6 12.803 -3.709 -6.157 1.00 0.00 O ATOM 83 CB ILE A 6 11.436 -1.280 -6.996 1.00 0.00 C ATOM 84 CG1 ILE A 6 11.305 0.125 -7.594 1.00 0.00 C ATOM 85 CG2 ILE A 6 10.129 -1.709 -6.348 1.00 0.00 C ATOM 86 CD1 ILE A 6 10.231 0.237 -8.658 1.00 0.00 C ATOM 0 H ILE A 6 13.982 -1.244 -7.523 1.00 0.00 H new ATOM 0 HA ILE A 6 12.360 -0.624 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 6 11.665 -1.976 -7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 6 11.086 0.832 -6.794 1.00 0.00 H new ATOM 0 HG13 ILE A 6 12.263 0.418 -8.025 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.327 -1.671 -7.086 1.00 0.00 H new ATOM 0 HG22 ILE A 6 10.227 -2.727 -5.971 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.894 -1.037 -5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.197 1.259 -9.034 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.459 -0.444 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.264 -0.023 -8.228 1.00 0.00 H new ATOM 98 N LYS A 7 12.732 -2.847 -4.087 1.00 0.00 N ATOM 99 CA LYS A 7 12.784 -4.146 -3.443 1.00 0.00 C ATOM 100 C LYS A 7 11.367 -4.668 -3.235 1.00 0.00 C ATOM 101 O LYS A 7 10.473 -3.927 -2.817 1.00 0.00 O ATOM 102 CB LYS A 7 13.535 -4.064 -2.110 1.00 0.00 C ATOM 103 CG LYS A 7 14.989 -3.636 -2.254 1.00 0.00 C ATOM 104 CD LYS A 7 15.712 -3.661 -0.914 1.00 0.00 C ATOM 105 CE LYS A 7 17.162 -3.195 -1.035 1.00 0.00 C ATOM 106 NZ LYS A 7 17.972 -4.082 -1.914 1.00 0.00 N ATOM 0 H LYS A 7 12.718 -2.054 -3.445 1.00 0.00 H new ATOM 0 HA LYS A 7 13.327 -4.839 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.021 -3.360 -1.456 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.498 -5.038 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.497 -4.298 -2.955 1.00 0.00 H new ATOM 0 HG3 LYS A 7 15.034 -2.631 -2.675 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.184 -3.022 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.689 -4.673 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 7 17.183 -2.179 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 7 17.613 -3.160 -0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 18.959 -3.754 -1.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 17.935 -5.057 -1.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 17.589 -4.056 -2.881 1.00 0.00 H new ATOM 120 N GLN A 8 11.164 -5.934 -3.550 1.00 0.00 N ATOM 121 CA GLN A 8 9.844 -6.537 -3.490 1.00 0.00 C ATOM 122 C GLN A 8 9.648 -7.286 -2.179 1.00 0.00 C ATOM 123 O GLN A 8 10.559 -7.953 -1.683 1.00 0.00 O ATOM 124 CB GLN A 8 9.616 -7.481 -4.682 1.00 0.00 C ATOM 125 CG GLN A 8 10.574 -8.669 -4.754 1.00 0.00 C ATOM 126 CD GLN A 8 11.992 -8.278 -5.137 1.00 0.00 C ATOM 127 OE1 GLN A 8 12.826 -7.993 -4.276 1.00 0.00 O ATOM 128 NE2 GLN A 8 12.272 -8.256 -6.428 1.00 0.00 N ATOM 0 H GLN A 8 11.902 -6.569 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 8 9.109 -5.734 -3.542 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.595 -7.859 -4.637 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.703 -6.906 -5.604 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.592 -9.171 -3.787 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.195 -9.389 -5.480 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.553 -8.499 -7.110 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.207 -7.996 -6.743 1.00 0.00 H new ATOM 137 N GLY A 9 8.455 -7.166 -1.623 1.00 0.00 N ATOM 138 CA GLY A 9 8.152 -7.820 -0.369 1.00 0.00 C ATOM 139 C GLY A 9 6.709 -8.269 -0.295 1.00 0.00 C ATOM 140 O GLY A 9 6.081 -8.525 -1.323 1.00 0.00 O ATOM 0 H GLY A 9 7.687 -6.625 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.806 -8.683 -0.243 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.362 -7.138 0.455 1.00 0.00 H new ATOM 144 N GLU A 10 6.181 -8.333 0.922 1.00 0.00 N ATOM 145 CA GLU A 10 4.820 -8.806 1.176 1.00 0.00 C ATOM 146 C GLU A 10 3.781 -7.911 0.502 1.00 0.00 C ATOM 147 O GLU A 10 3.319 -6.939 1.099 1.00 0.00 O ATOM 148 CB GLU A 10 4.567 -8.831 2.682 1.00 0.00 C ATOM 149 CG GLU A 10 5.632 -9.577 3.469 1.00 0.00 C ATOM 150 CD GLU A 10 5.716 -9.109 4.906 1.00 0.00 C ATOM 151 OE1 GLU A 10 4.842 -9.488 5.709 1.00 0.00 O ATOM 152 OE2 GLU A 10 6.648 -8.345 5.233 1.00 0.00 O ATOM 0 H GLU A 10 6.685 -8.058 1.765 1.00 0.00 H new ATOM 0 HA GLU A 10 4.725 -9.809 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.508 -7.806 3.049 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.598 -9.293 2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.414 -10.645 3.449 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.600 -9.440 2.987 1.00 0.00 H new ATOM 159 N ASN A 11 3.446 -8.235 -0.750 1.00 0.00 N ATOM 160 CA ASN A 11 2.469 -7.467 -1.536 1.00 0.00 C ATOM 161 C ASN A 11 2.862 -5.995 -1.605 1.00 0.00 C ATOM 162 O ASN A 11 2.016 -5.117 -1.796 1.00 0.00 O ATOM 163 CB ASN A 11 1.059 -7.606 -0.948 1.00 0.00 C ATOM 164 CG ASN A 11 0.495 -9.012 -1.080 1.00 0.00 C ATOM 165 OD1 ASN A 11 0.917 -9.737 -2.108 1.00 0.00 O flip ATOM 166 ND2 ASN A 11 -0.322 -9.444 -0.264 1.00 0.00 N flip ATOM 0 H ASN A 11 3.841 -9.033 -1.248 1.00 0.00 H new ATOM 0 HA ASN A 11 2.466 -7.875 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.082 -7.327 0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 11 0.392 -6.905 -1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -0.624 -8.858 0.514 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.696 -10.387 -0.367 1.00 0.00 H new ATOM 173 N LYS A 12 4.155 -5.735 -1.482 1.00 0.00 N ATOM 174 CA LYS A 12 4.645 -4.372 -1.393 1.00 0.00 C ATOM 175 C LYS A 12 5.885 -4.167 -2.248 1.00 0.00 C ATOM 176 O LYS A 12 6.635 -5.108 -2.520 1.00 0.00 O ATOM 177 CB LYS A 12 4.973 -4.025 0.063 1.00 0.00 C ATOM 178 CG LYS A 12 6.111 -4.852 0.644 1.00 0.00 C ATOM 179 CD LYS A 12 6.451 -4.440 2.068 1.00 0.00 C ATOM 180 CE LYS A 12 5.292 -4.688 3.025 1.00 0.00 C ATOM 181 NZ LYS A 12 5.655 -4.347 4.425 1.00 0.00 N ATOM 0 H LYS A 12 4.881 -6.450 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 12 3.858 -3.715 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.233 -2.968 0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.081 -4.171 0.672 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.836 -5.907 0.628 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.995 -4.743 0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.326 -4.994 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.717 -3.383 2.086 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.432 -4.094 2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.993 -5.735 2.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.842 -4.528 5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.460 -4.932 4.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.917 -3.342 4.481 1.00 0.00 H new ATOM 195 N PHE A 13 6.082 -2.930 -2.668 1.00 0.00 N ATOM 196 CA PHE A 13 7.305 -2.516 -3.335 1.00 0.00 C ATOM 197 C PHE A 13 7.917 -1.366 -2.551 1.00 0.00 C ATOM 198 O PHE A 13 7.294 -0.314 -2.412 1.00 0.00 O ATOM 199 CB PHE A 13 7.025 -2.075 -4.772 1.00 0.00 C ATOM 200 CG PHE A 13 6.482 -3.164 -5.652 1.00 0.00 C ATOM 201 CD1 PHE A 13 7.263 -4.259 -5.988 1.00 0.00 C ATOM 202 CD2 PHE A 13 5.193 -3.087 -6.154 1.00 0.00 C ATOM 203 CE1 PHE A 13 6.766 -5.258 -6.806 1.00 0.00 C ATOM 204 CE2 PHE A 13 4.692 -4.081 -6.972 1.00 0.00 C ATOM 205 CZ PHE A 13 5.479 -5.167 -7.298 1.00 0.00 C ATOM 0 H PHE A 13 5.397 -2.182 -2.556 1.00 0.00 H new ATOM 0 HA PHE A 13 7.995 -3.359 -3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.315 -1.248 -4.755 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.948 -1.694 -5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 13 8.271 -4.333 -5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.572 -2.240 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.383 -6.107 -7.059 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.685 -4.008 -7.356 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.089 -5.945 -7.937 1.00 0.00 H new ATOM 215 N TYR A 14 9.116 -1.564 -2.023 1.00 0.00 N ATOM 216 CA TYR A 14 9.719 -0.565 -1.151 1.00 0.00 C ATOM 217 C TYR A 14 11.127 -0.182 -1.598 1.00 0.00 C ATOM 218 O TYR A 14 11.948 -1.036 -1.941 1.00 0.00 O ATOM 219 CB TYR A 14 9.722 -1.044 0.311 1.00 0.00 C ATOM 220 CG TYR A 14 10.384 -2.389 0.551 1.00 0.00 C ATOM 221 CD1 TYR A 14 9.709 -3.576 0.294 1.00 0.00 C ATOM 222 CD2 TYR A 14 11.680 -2.467 1.049 1.00 0.00 C ATOM 223 CE1 TYR A 14 10.305 -4.800 0.529 1.00 0.00 C ATOM 224 CE2 TYR A 14 12.283 -3.688 1.284 1.00 0.00 C ATOM 225 CZ TYR A 14 11.593 -4.851 1.019 1.00 0.00 C ATOM 226 OH TYR A 14 12.187 -6.072 1.251 1.00 0.00 O ATOM 0 H TYR A 14 9.685 -2.396 -2.180 1.00 0.00 H new ATOM 0 HA TYR A 14 9.105 0.333 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.227 -0.295 0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.691 -1.097 0.661 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.702 -3.541 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 14 12.225 -1.558 1.256 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.764 -5.713 0.330 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.290 -3.731 1.673 1.00 0.00 H new ATOM 0 HH TYR A 14 12.283 -6.211 2.216 1.00 0.00 H new ATOM 236 N ILE A 15 11.380 1.117 -1.614 1.00 0.00 N ATOM 237 CA ILE A 15 12.700 1.655 -1.887 1.00 0.00 C ATOM 238 C ILE A 15 13.259 2.267 -0.608 1.00 0.00 C ATOM 239 O ILE A 15 12.607 3.103 0.026 1.00 0.00 O ATOM 240 CB ILE A 15 12.660 2.745 -2.985 1.00 0.00 C ATOM 241 CG1 ILE A 15 12.025 2.195 -4.267 1.00 0.00 C ATOM 242 CG2 ILE A 15 14.063 3.271 -3.267 1.00 0.00 C ATOM 243 CD1 ILE A 15 11.898 3.223 -5.374 1.00 0.00 C ATOM 0 H ILE A 15 10.672 1.829 -1.437 1.00 0.00 H new ATOM 0 HA ILE A 15 13.331 0.839 -2.240 1.00 0.00 H new ATOM 0 HB ILE A 15 12.048 3.572 -2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 15 12.623 1.358 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 15 11.036 1.803 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 15 14.016 4.037 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 15 14.480 3.701 -2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 15 14.698 2.452 -3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 15 11.440 2.761 -6.249 1.00 0.00 H new ATOM 0 HD12 ILE A 15 11.275 4.050 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 15 12.887 3.598 -5.637 1.00 0.00 H new ATOM 255 N GLY A 16 14.446 1.842 -0.212 1.00 0.00 N ATOM 256 CA GLY A 16 15.040 2.369 0.995 1.00 0.00 C ATOM 257 C GLY A 16 16.414 1.803 1.251 1.00 0.00 C ATOM 258 O GLY A 16 16.853 0.885 0.558 1.00 0.00 O ATOM 0 H GLY A 16 15.007 1.145 -0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 16 15.105 3.455 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 16 14.393 2.145 1.843 1.00 0.00 H new ATOM 262 N ASP A 17 17.089 2.356 2.247 1.00 0.00 N ATOM 263 CA ASP A 17 18.423 1.904 2.623 1.00 0.00 C ATOM 264 C ASP A 17 18.333 0.599 3.402 1.00 0.00 C ATOM 265 O ASP A 17 19.250 -0.222 3.394 1.00 0.00 O ATOM 266 CB ASP A 17 19.109 2.986 3.460 1.00 0.00 C ATOM 267 CG ASP A 17 20.497 2.592 3.910 1.00 0.00 C ATOM 268 OD1 ASP A 17 21.363 2.363 3.041 1.00 0.00 O ATOM 269 OD2 ASP A 17 20.731 2.522 5.134 1.00 0.00 O ATOM 0 H ASP A 17 16.733 3.125 2.815 1.00 0.00 H new ATOM 0 HA ASP A 17 19.013 1.724 1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 17 19.169 3.905 2.877 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.497 3.203 4.335 1.00 0.00 H new ATOM 274 N ASP A 18 17.198 0.418 4.047 1.00 0.00 N ATOM 275 CA ASP A 18 16.909 -0.775 4.826 1.00 0.00 C ATOM 276 C ASP A 18 15.411 -1.024 4.748 1.00 0.00 C ATOM 277 O ASP A 18 14.667 -0.115 4.380 1.00 0.00 O ATOM 278 CB ASP A 18 17.351 -0.562 6.283 1.00 0.00 C ATOM 279 CG ASP A 18 17.222 -1.803 7.149 1.00 0.00 C ATOM 280 OD1 ASP A 18 16.107 -2.084 7.637 1.00 0.00 O ATOM 281 OD2 ASP A 18 18.241 -2.493 7.366 1.00 0.00 O ATOM 0 H ASP A 18 16.440 1.101 4.047 1.00 0.00 H new ATOM 0 HA ASP A 18 17.450 -1.637 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.389 -0.229 6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 18 16.755 0.239 6.721 1.00 0.00 H new ATOM 286 N GLU A 19 14.960 -2.230 5.065 1.00 0.00 N ATOM 287 CA GLU A 19 13.525 -2.512 5.080 1.00 0.00 C ATOM 288 C GLU A 19 12.821 -1.604 6.082 1.00 0.00 C ATOM 289 O GLU A 19 11.683 -1.186 5.871 1.00 0.00 O ATOM 290 CB GLU A 19 13.244 -3.971 5.432 1.00 0.00 C ATOM 291 CG GLU A 19 13.871 -4.972 4.478 1.00 0.00 C ATOM 292 CD GLU A 19 13.310 -6.365 4.667 1.00 0.00 C ATOM 293 OE1 GLU A 19 13.185 -6.812 5.828 1.00 0.00 O ATOM 294 OE2 GLU A 19 12.963 -7.009 3.657 1.00 0.00 O ATOM 0 H GLU A 19 15.555 -3.021 5.313 1.00 0.00 H new ATOM 0 HA GLU A 19 13.142 -2.321 4.078 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.610 -4.167 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 19 12.166 -4.128 5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.701 -4.649 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.950 -4.992 4.631 1.00 0.00 H new ATOM 301 N ASN A 20 13.515 -1.292 7.167 1.00 0.00 N ATOM 302 CA ASN A 20 12.978 -0.409 8.193 1.00 0.00 C ATOM 303 C ASN A 20 13.143 1.043 7.768 1.00 0.00 C ATOM 304 O ASN A 20 12.434 1.929 8.238 1.00 0.00 O ATOM 305 CB ASN A 20 13.688 -0.629 9.532 1.00 0.00 C ATOM 306 CG ASN A 20 13.566 -2.052 10.041 1.00 0.00 C ATOM 307 OD1 ASN A 20 12.613 -2.395 10.742 1.00 0.00 O ATOM 308 ND2 ASN A 20 14.530 -2.889 9.694 1.00 0.00 N ATOM 0 H ASN A 20 14.455 -1.639 7.360 1.00 0.00 H new ATOM 0 HA ASN A 20 11.920 -0.639 8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 20 14.743 -0.377 9.423 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.272 0.053 10.274 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.501 -3.859 10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 20 15.302 -2.564 9.112 1.00 0.00 H new ATOM 315 N ASN A 21 14.080 1.273 6.861 1.00 0.00 N ATOM 316 CA ASN A 21 14.405 2.621 6.405 1.00 0.00 C ATOM 317 C ASN A 21 13.865 2.851 4.999 1.00 0.00 C ATOM 318 O ASN A 21 14.489 3.533 4.182 1.00 0.00 O ATOM 319 CB ASN A 21 15.923 2.843 6.426 1.00 0.00 C ATOM 320 CG ASN A 21 16.499 2.889 7.831 1.00 0.00 C ATOM 321 OD1 ASN A 21 15.998 2.240 8.750 1.00 0.00 O ATOM 322 ND2 ASN A 21 17.567 3.650 8.013 1.00 0.00 N ATOM 0 H ASN A 21 14.634 0.538 6.421 1.00 0.00 H new ATOM 0 HA ASN A 21 13.937 3.334 7.083 1.00 0.00 H new ATOM 0 HB2 ASN A 21 16.409 2.044 5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 21 16.155 3.777 5.914 1.00 0.00 H new ATOM 0 HD21 ASN A 21 17.999 3.711 8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.958 4.175 7.231 1.00 0.00 H new ATOM 329 N ALA A 22 12.705 2.270 4.727 1.00 0.00 N ATOM 330 CA ALA A 22 12.038 2.452 3.449 1.00 0.00 C ATOM 331 C ALA A 22 11.481 3.864 3.346 1.00 0.00 C ATOM 332 O ALA A 22 10.567 4.236 4.080 1.00 0.00 O ATOM 333 CB ALA A 22 10.928 1.427 3.275 1.00 0.00 C ATOM 0 H ALA A 22 12.205 1.666 5.379 1.00 0.00 H new ATOM 0 HA ALA A 22 12.766 2.305 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 22 10.440 1.579 2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.351 0.423 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.197 1.543 4.075 1.00 0.00 H new ATOM 339 N LEU A 23 12.038 4.643 2.434 1.00 0.00 N ATOM 340 CA LEU A 23 11.661 6.044 2.294 1.00 0.00 C ATOM 341 C LEU A 23 10.533 6.206 1.283 1.00 0.00 C ATOM 342 O LEU A 23 10.012 7.305 1.090 1.00 0.00 O ATOM 343 CB LEU A 23 12.870 6.882 1.876 1.00 0.00 C ATOM 344 CG LEU A 23 14.053 6.840 2.847 1.00 0.00 C ATOM 345 CD1 LEU A 23 15.216 7.657 2.307 1.00 0.00 C ATOM 346 CD2 LEU A 23 13.636 7.346 4.220 1.00 0.00 C ATOM 0 H LEU A 23 12.754 4.331 1.778 1.00 0.00 H new ATOM 0 HA LEU A 23 11.306 6.397 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.210 6.540 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.552 7.918 1.759 1.00 0.00 H new ATOM 0 HG LEU A 23 14.378 5.804 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.048 7.615 3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 23 15.532 7.249 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 23 14.903 8.693 2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.490 7.309 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 23 13.283 8.374 4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 23 12.835 6.718 4.611 1.00 0.00 H new ATOM 358 N ALA A 24 10.173 5.107 0.638 1.00 0.00 N ATOM 359 CA ALA A 24 9.094 5.107 -0.337 1.00 0.00 C ATOM 360 C ALA A 24 8.605 3.690 -0.591 1.00 0.00 C ATOM 361 O ALA A 24 9.315 2.885 -1.187 1.00 0.00 O ATOM 362 CB ALA A 24 9.555 5.745 -1.641 1.00 0.00 C ATOM 0 H ALA A 24 10.616 4.198 0.774 1.00 0.00 H new ATOM 0 HA ALA A 24 8.268 5.693 0.066 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.736 5.737 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.863 6.774 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.397 5.182 -2.044 1.00 0.00 H new ATOM 368 N GLU A 25 7.409 3.380 -0.124 1.00 0.00 N ATOM 369 CA GLU A 25 6.827 2.072 -0.365 1.00 0.00 C ATOM 370 C GLU A 25 5.371 2.181 -0.788 1.00 0.00 C ATOM 371 O GLU A 25 4.686 3.155 -0.467 1.00 0.00 O ATOM 372 CB GLU A 25 6.985 1.149 0.857 1.00 0.00 C ATOM 373 CG GLU A 25 6.589 1.756 2.199 1.00 0.00 C ATOM 374 CD GLU A 25 5.091 1.860 2.409 1.00 0.00 C ATOM 375 OE1 GLU A 25 4.419 0.814 2.490 1.00 0.00 O ATOM 376 OE2 GLU A 25 4.586 2.998 2.517 1.00 0.00 O ATOM 0 H GLU A 25 6.824 4.013 0.422 1.00 0.00 H new ATOM 0 HA GLU A 25 7.377 1.620 -1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.386 0.253 0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.026 0.830 0.916 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.017 1.153 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.027 2.751 2.280 1.00 0.00 H new ATOM 383 N ILE A 26 4.923 1.195 -1.542 1.00 0.00 N ATOM 384 CA ILE A 26 3.539 1.111 -1.960 1.00 0.00 C ATOM 385 C ILE A 26 3.031 -0.308 -1.733 1.00 0.00 C ATOM 386 O ILE A 26 3.702 -1.283 -2.082 1.00 0.00 O ATOM 387 CB ILE A 26 3.362 1.533 -3.440 1.00 0.00 C ATOM 388 CG1 ILE A 26 1.888 1.483 -3.843 1.00 0.00 C ATOM 389 CG2 ILE A 26 4.201 0.656 -4.362 1.00 0.00 C ATOM 390 CD1 ILE A 26 1.614 2.066 -5.214 1.00 0.00 C ATOM 0 H ILE A 26 5.508 0.431 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 26 2.951 1.806 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 26 3.711 2.561 -3.541 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.550 0.447 -3.824 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.299 2.025 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 26 4.058 0.973 -5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.254 0.750 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.892 -0.384 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.548 1.997 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.921 3.112 -5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.175 1.510 -5.965 1.00 0.00 H new ATOM 402 N THR A 27 1.871 -0.421 -1.113 1.00 0.00 N ATOM 403 CA THR A 27 1.322 -1.716 -0.769 1.00 0.00 C ATOM 404 C THR A 27 -0.038 -1.907 -1.422 1.00 0.00 C ATOM 405 O THR A 27 -0.850 -0.980 -1.468 1.00 0.00 O ATOM 406 CB THR A 27 1.184 -1.874 0.760 1.00 0.00 C ATOM 407 OG1 THR A 27 0.351 -0.835 1.284 1.00 0.00 O ATOM 408 CG2 THR A 27 2.545 -1.814 1.444 1.00 0.00 C ATOM 0 H THR A 27 1.291 0.371 -0.837 1.00 0.00 H new ATOM 0 HA THR A 27 2.011 -2.476 -1.138 1.00 0.00 H new ATOM 0 HB THR A 27 0.735 -2.847 0.957 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.702 0.037 1.006 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.417 -1.928 2.520 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.178 -2.618 1.067 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.015 -0.853 1.235 1.00 0.00 H new ATOM 416 N TYR A 28 -0.282 -3.097 -1.936 1.00 0.00 N ATOM 417 CA TYR A 28 -1.560 -3.403 -2.547 1.00 0.00 C ATOM 418 C TYR A 28 -2.010 -4.800 -2.146 1.00 0.00 C ATOM 419 O TYR A 28 -1.256 -5.765 -2.260 1.00 0.00 O ATOM 420 CB TYR A 28 -1.495 -3.262 -4.079 1.00 0.00 C ATOM 421 CG TYR A 28 -0.541 -4.216 -4.771 1.00 0.00 C ATOM 422 CD1 TYR A 28 0.826 -3.962 -4.809 1.00 0.00 C ATOM 423 CD2 TYR A 28 -1.011 -5.367 -5.397 1.00 0.00 C ATOM 424 CE1 TYR A 28 1.693 -4.829 -5.446 1.00 0.00 C ATOM 425 CE2 TYR A 28 -0.148 -6.237 -6.033 1.00 0.00 C ATOM 426 CZ TYR A 28 1.202 -5.961 -6.057 1.00 0.00 C ATOM 427 OH TYR A 28 2.065 -6.825 -6.694 1.00 0.00 O ATOM 0 H TYR A 28 0.387 -3.867 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.294 -2.684 -2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.495 -3.414 -4.485 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.204 -2.240 -4.323 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.216 -3.074 -4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.069 -5.583 -5.385 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.752 -4.619 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.529 -7.129 -6.509 1.00 0.00 H new ATOM 0 HH TYR A 28 1.558 -7.574 -7.072 1.00 0.00 H new ATOM 437 N ARG A 29 -3.227 -4.898 -1.647 1.00 0.00 N ATOM 438 CA ARG A 29 -3.761 -6.178 -1.223 1.00 0.00 C ATOM 439 C ARG A 29 -4.914 -6.600 -2.116 1.00 0.00 C ATOM 440 O ARG A 29 -5.670 -5.762 -2.616 1.00 0.00 O ATOM 441 CB ARG A 29 -4.186 -6.132 0.246 1.00 0.00 C ATOM 442 CG ARG A 29 -2.999 -6.056 1.194 1.00 0.00 C ATOM 443 CD ARG A 29 -3.417 -6.218 2.646 1.00 0.00 C ATOM 444 NE ARG A 29 -4.098 -5.035 3.174 1.00 0.00 N ATOM 445 CZ ARG A 29 -4.171 -4.747 4.473 1.00 0.00 C ATOM 446 NH1 ARG A 29 -3.630 -5.562 5.370 1.00 0.00 N ATOM 447 NH2 ARG A 29 -4.791 -3.645 4.870 1.00 0.00 N ATOM 0 H ARG A 29 -3.863 -4.110 -1.525 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.973 -6.925 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.831 -5.269 0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.776 -7.019 0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.279 -6.832 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.495 -5.098 1.067 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.076 -7.082 2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.535 -6.425 3.252 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.540 -4.397 2.512 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.156 -6.413 5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.688 -5.338 6.363 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.211 -3.020 4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.848 -3.422 5.864 1.00 0.00 H new ATOM 461 N PHE A 30 -5.027 -7.899 -2.331 1.00 0.00 N ATOM 462 CA PHE A 30 -6.037 -8.442 -3.222 1.00 0.00 C ATOM 463 C PHE A 30 -7.382 -8.522 -2.514 1.00 0.00 C ATOM 464 O PHE A 30 -7.610 -9.420 -1.704 1.00 0.00 O ATOM 465 CB PHE A 30 -5.619 -9.832 -3.712 1.00 0.00 C ATOM 466 CG PHE A 30 -4.292 -9.853 -4.420 1.00 0.00 C ATOM 467 CD1 PHE A 30 -3.110 -9.986 -3.707 1.00 0.00 C ATOM 468 CD2 PHE A 30 -4.226 -9.740 -5.799 1.00 0.00 C ATOM 469 CE1 PHE A 30 -1.890 -10.007 -4.357 1.00 0.00 C ATOM 470 CE2 PHE A 30 -3.009 -9.760 -6.454 1.00 0.00 C ATOM 471 CZ PHE A 30 -1.841 -9.893 -5.733 1.00 0.00 C ATOM 0 H PHE A 30 -4.427 -8.601 -1.898 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.133 -7.778 -4.081 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.576 -10.510 -2.859 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.386 -10.215 -4.385 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.143 -10.074 -2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.137 -9.635 -6.370 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.977 -10.112 -3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.973 -9.672 -7.530 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.889 -9.908 -6.243 1.00 0.00 H new ATOM 481 N VAL A 31 -8.272 -7.586 -2.819 1.00 0.00 N ATOM 482 CA VAL A 31 -9.587 -7.560 -2.186 1.00 0.00 C ATOM 483 C VAL A 31 -10.556 -8.468 -2.931 1.00 0.00 C ATOM 484 O VAL A 31 -11.518 -8.976 -2.359 1.00 0.00 O ATOM 485 CB VAL A 31 -10.168 -6.129 -2.100 1.00 0.00 C ATOM 486 CG1 VAL A 31 -9.325 -5.265 -1.172 1.00 0.00 C ATOM 487 CG2 VAL A 31 -10.266 -5.491 -3.479 1.00 0.00 C ATOM 0 H VAL A 31 -8.111 -6.840 -3.495 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.457 -7.925 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.175 -6.200 -1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.749 -4.262 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.317 -5.704 -0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.305 -5.210 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.678 -4.486 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -9.273 -5.437 -3.926 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -10.917 -6.093 -4.113 1.00 0.00 H new ATOM 497 N ASP A 32 -10.287 -8.667 -4.211 1.00 0.00 N ATOM 498 CA ASP A 32 -11.085 -9.566 -5.034 1.00 0.00 C ATOM 499 C ASP A 32 -10.157 -10.442 -5.867 1.00 0.00 C ATOM 500 O ASP A 32 -10.594 -11.187 -6.743 1.00 0.00 O ATOM 501 CB ASP A 32 -12.024 -8.752 -5.931 1.00 0.00 C ATOM 502 CG ASP A 32 -12.967 -9.612 -6.747 1.00 0.00 C ATOM 503 OD1 ASP A 32 -13.968 -10.109 -6.188 1.00 0.00 O ATOM 504 OD2 ASP A 32 -12.717 -9.799 -7.955 1.00 0.00 O ATOM 0 H ASP A 32 -9.518 -8.216 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.695 -10.209 -4.399 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.608 -8.072 -5.311 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -11.428 -8.137 -6.606 1.00 0.00 H new ATOM 509 N ASN A 33 -8.863 -10.349 -5.554 1.00 0.00 N ATOM 510 CA ASN A 33 -7.799 -11.044 -6.292 1.00 0.00 C ATOM 511 C ASN A 33 -7.575 -10.397 -7.655 1.00 0.00 C ATOM 512 O ASN A 33 -6.465 -9.981 -7.971 1.00 0.00 O ATOM 513 CB ASN A 33 -8.084 -12.546 -6.441 1.00 0.00 C ATOM 514 CG ASN A 33 -7.979 -13.293 -5.121 1.00 0.00 C ATOM 515 OD1 ASN A 33 -8.214 -12.731 -4.051 1.00 0.00 O ATOM 516 ND2 ASN A 33 -7.634 -14.569 -5.187 1.00 0.00 N ATOM 0 H ASN A 33 -8.519 -9.786 -4.776 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.885 -10.947 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.083 -12.684 -6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.382 -12.977 -7.155 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.555 -15.121 -4.333 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.447 -15.001 -6.092 1.00 0.00 H new ATOM 523 N ASN A 34 -8.630 -10.304 -8.456 1.00 0.00 N ATOM 524 CA ASN A 34 -8.555 -9.596 -9.727 1.00 0.00 C ATOM 525 C ASN A 34 -8.574 -8.090 -9.478 1.00 0.00 C ATOM 526 O ASN A 34 -7.911 -7.320 -10.169 1.00 0.00 O ATOM 527 CB ASN A 34 -9.712 -10.006 -10.645 1.00 0.00 C ATOM 528 CG ASN A 34 -9.694 -9.264 -11.968 1.00 0.00 C ATOM 529 OD1 ASN A 34 -10.320 -8.213 -12.113 1.00 0.00 O ATOM 530 ND2 ASN A 34 -8.984 -9.803 -12.949 1.00 0.00 N ATOM 0 H ASN A 34 -9.543 -10.708 -8.249 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.622 -9.862 -10.224 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.660 -11.078 -10.833 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -10.658 -9.816 -10.138 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -8.944 -9.346 -13.860 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.478 -10.675 -12.793 1.00 0.00 H new ATOM 537 N GLU A 35 -9.340 -7.676 -8.479 1.00 0.00 N ATOM 538 CA GLU A 35 -9.355 -6.284 -8.064 1.00 0.00 C ATOM 539 C GLU A 35 -8.360 -6.075 -6.926 1.00 0.00 C ATOM 540 O GLU A 35 -8.455 -6.720 -5.871 1.00 0.00 O ATOM 541 CB GLU A 35 -10.766 -5.860 -7.639 1.00 0.00 C ATOM 542 CG GLU A 35 -11.799 -5.993 -8.752 1.00 0.00 C ATOM 543 CD GLU A 35 -13.181 -5.525 -8.336 1.00 0.00 C ATOM 544 OE1 GLU A 35 -13.970 -6.352 -7.828 1.00 0.00 O ATOM 545 OE2 GLU A 35 -13.490 -4.331 -8.519 1.00 0.00 O ATOM 0 H GLU A 35 -9.958 -8.285 -7.942 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.060 -5.660 -8.908 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.079 -6.466 -6.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.740 -4.824 -7.300 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.471 -5.416 -9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.854 -7.035 -9.067 1.00 0.00 H new ATOM 552 N ILE A 36 -7.399 -5.189 -7.151 1.00 0.00 N ATOM 553 CA ILE A 36 -6.353 -4.927 -6.173 1.00 0.00 C ATOM 554 C ILE A 36 -6.513 -3.537 -5.573 1.00 0.00 C ATOM 555 O ILE A 36 -6.830 -2.575 -6.277 1.00 0.00 O ATOM 556 CB ILE A 36 -4.941 -5.061 -6.788 1.00 0.00 C ATOM 557 CG1 ILE A 36 -4.775 -4.116 -7.981 1.00 0.00 C ATOM 558 CG2 ILE A 36 -4.685 -6.501 -7.204 1.00 0.00 C ATOM 559 CD1 ILE A 36 -3.381 -4.114 -8.568 1.00 0.00 C ATOM 0 H ILE A 36 -7.323 -4.638 -8.006 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.457 -5.677 -5.389 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.207 -4.781 -6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.486 -4.398 -8.758 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.029 -3.103 -7.669 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.688 -6.583 -7.636 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.757 -7.150 -6.331 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.426 -6.803 -7.944 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.341 -3.421 -9.408 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.666 -3.802 -7.807 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.130 -5.117 -8.913 1.00 0.00 H new ATOM 571 N ASN A 37 -6.302 -3.440 -4.271 1.00 0.00 N ATOM 572 CA ASN A 37 -6.456 -2.179 -3.565 1.00 0.00 C ATOM 573 C ASN A 37 -5.121 -1.696 -3.021 1.00 0.00 C ATOM 574 O ASN A 37 -4.483 -2.382 -2.217 1.00 0.00 O ATOM 575 CB ASN A 37 -7.451 -2.332 -2.412 1.00 0.00 C ATOM 576 CG ASN A 37 -7.621 -1.051 -1.616 1.00 0.00 C ATOM 577 OD1 ASN A 37 -7.553 0.055 -2.161 1.00 0.00 O ATOM 578 ND2 ASN A 37 -7.816 -1.183 -0.315 1.00 0.00 N ATOM 0 H ASN A 37 -6.023 -4.223 -3.680 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.835 -1.442 -4.274 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.418 -2.640 -2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.112 -3.127 -1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.916 -0.355 0.272 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -7.867 -2.113 0.101 1.00 0.00 H new ATOM 585 N ILE A 38 -4.693 -0.526 -3.477 1.00 0.00 N ATOM 586 CA ILE A 38 -3.523 0.129 -2.918 1.00 0.00 C ATOM 587 C ILE A 38 -3.862 0.637 -1.523 1.00 0.00 C ATOM 588 O ILE A 38 -4.534 1.658 -1.363 1.00 0.00 O ATOM 589 CB ILE A 38 -3.040 1.292 -3.810 1.00 0.00 C ATOM 590 CG1 ILE A 38 -2.605 0.757 -5.176 1.00 0.00 C ATOM 591 CG2 ILE A 38 -1.896 2.044 -3.142 1.00 0.00 C ATOM 592 CD1 ILE A 38 -2.261 1.840 -6.173 1.00 0.00 C ATOM 0 H ILE A 38 -5.142 -0.012 -4.235 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.710 -0.595 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.866 1.989 -3.952 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.738 0.110 -5.043 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.404 0.139 -5.586 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.571 2.860 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.235 2.449 -2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.063 1.362 -2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.962 1.384 -7.117 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.132 2.474 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.440 2.444 -5.786 1.00 0.00 H new ATOM 604 N ASP A 39 -3.410 -0.098 -0.525 1.00 0.00 N ATOM 605 CA ASP A 39 -3.846 0.112 0.848 1.00 0.00 C ATOM 606 C ASP A 39 -3.079 1.259 1.501 1.00 0.00 C ATOM 607 O ASP A 39 -3.670 2.246 1.942 1.00 0.00 O ATOM 608 CB ASP A 39 -3.659 -1.178 1.652 1.00 0.00 C ATOM 609 CG ASP A 39 -4.475 -1.196 2.927 1.00 0.00 C ATOM 610 OD1 ASP A 39 -4.104 -0.490 3.887 1.00 0.00 O ATOM 611 OD2 ASP A 39 -5.485 -1.931 2.976 1.00 0.00 O ATOM 0 H ASP A 39 -2.734 -0.854 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.902 0.381 0.837 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.940 -2.030 1.034 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.604 -1.297 1.899 1.00 0.00 H new ATOM 616 N HIS A 40 -1.762 1.126 1.552 1.00 0.00 N ATOM 617 CA HIS A 40 -0.907 2.138 2.159 1.00 0.00 C ATOM 618 C HIS A 40 0.197 2.550 1.191 1.00 0.00 C ATOM 619 O HIS A 40 0.733 1.718 0.458 1.00 0.00 O ATOM 620 CB HIS A 40 -0.308 1.603 3.473 1.00 0.00 C ATOM 621 CG HIS A 40 0.723 2.501 4.092 1.00 0.00 C ATOM 622 ND1 HIS A 40 0.411 3.678 4.729 1.00 0.00 N ATOM 623 CD2 HIS A 40 2.070 2.388 4.159 1.00 0.00 C ATOM 624 CE1 HIS A 40 1.517 4.254 5.157 1.00 0.00 C ATOM 625 NE2 HIS A 40 2.542 3.491 4.823 1.00 0.00 N ATOM 0 H HIS A 40 -1.258 0.322 1.178 1.00 0.00 H new ATOM 0 HA HIS A 40 -1.508 3.019 2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -1.115 1.447 4.189 1.00 0.00 H new ATOM 0 HB3 HIS A 40 0.142 0.629 3.283 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.664 1.578 3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.575 5.191 5.690 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.522 3.689 5.025 1.00 0.00 H new ATOM 634 N THR A 41 0.520 3.835 1.175 1.00 0.00 N ATOM 635 CA THR A 41 1.582 4.345 0.323 1.00 0.00 C ATOM 636 C THR A 41 2.283 5.529 0.983 1.00 0.00 C ATOM 637 O THR A 41 1.748 6.639 1.024 1.00 0.00 O ATOM 638 CB THR A 41 1.030 4.777 -1.051 1.00 0.00 C ATOM 639 OG1 THR A 41 0.257 3.712 -1.615 1.00 0.00 O ATOM 640 CG2 THR A 41 2.158 5.148 -2.007 1.00 0.00 C ATOM 0 H THR A 41 0.060 4.545 1.745 1.00 0.00 H new ATOM 0 HA THR A 41 2.301 3.539 0.177 1.00 0.00 H new ATOM 0 HB THR A 41 0.402 5.656 -0.904 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.094 3.989 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.738 5.448 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.733 5.974 -1.588 1.00 0.00 H new ATOM 0 HG23 THR A 41 2.811 4.287 -2.150 1.00 0.00 H new ATOM 648 N GLY A 42 3.459 5.278 1.532 1.00 0.00 N ATOM 649 CA GLY A 42 4.247 6.342 2.109 1.00 0.00 C ATOM 650 C GLY A 42 5.475 6.629 1.274 1.00 0.00 C ATOM 651 O GLY A 42 6.425 5.843 1.274 1.00 0.00 O ATOM 0 H GLY A 42 3.883 4.352 1.588 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.641 7.244 2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.548 6.068 3.120 1.00 0.00 H new ATOM 655 N VAL A 43 5.458 7.744 0.562 1.00 0.00 N ATOM 656 CA VAL A 43 6.529 8.080 -0.365 1.00 0.00 C ATOM 657 C VAL A 43 7.104 9.461 -0.059 1.00 0.00 C ATOM 658 O VAL A 43 6.365 10.438 0.037 1.00 0.00 O ATOM 659 CB VAL A 43 6.025 8.050 -1.829 1.00 0.00 C ATOM 660 CG1 VAL A 43 7.125 8.456 -2.794 1.00 0.00 C ATOM 661 CG2 VAL A 43 5.494 6.670 -2.184 1.00 0.00 C ATOM 0 H VAL A 43 4.710 8.436 0.608 1.00 0.00 H new ATOM 0 HA VAL A 43 7.312 7.332 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 43 5.212 8.770 -1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.743 8.426 -3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 43 7.459 9.467 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.964 7.767 -2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.145 6.669 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.289 5.934 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.667 6.417 -1.521 1.00 0.00 H new ATOM 671 N SER A 44 8.417 9.530 0.113 1.00 0.00 N ATOM 672 CA SER A 44 9.102 10.799 0.306 1.00 0.00 C ATOM 673 C SER A 44 8.988 11.666 -0.947 1.00 0.00 C ATOM 674 O SER A 44 9.207 11.195 -2.067 1.00 0.00 O ATOM 675 CB SER A 44 10.567 10.545 0.665 1.00 0.00 C ATOM 676 OG SER A 44 11.112 9.509 -0.139 1.00 0.00 O ATOM 0 H SER A 44 9.032 8.716 0.123 1.00 0.00 H new ATOM 0 HA SER A 44 8.630 11.338 1.128 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.144 11.460 0.527 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.646 10.274 1.718 1.00 0.00 H new ATOM 0 HG SER A 44 10.919 8.640 0.272 1.00 0.00 H new ATOM 682 N ASP A 45 8.650 12.933 -0.756 1.00 0.00 N ATOM 683 CA ASP A 45 8.383 13.831 -1.874 1.00 0.00 C ATOM 684 C ASP A 45 9.675 14.515 -2.331 1.00 0.00 C ATOM 685 O ASP A 45 9.647 15.620 -2.870 1.00 0.00 O ATOM 686 CB ASP A 45 7.341 14.879 -1.459 1.00 0.00 C ATOM 687 CG ASP A 45 6.524 15.404 -2.628 1.00 0.00 C ATOM 688 OD1 ASP A 45 5.471 14.801 -2.936 1.00 0.00 O ATOM 689 OD2 ASP A 45 6.913 16.426 -3.230 1.00 0.00 O ATOM 0 H ASP A 45 8.554 13.364 0.163 1.00 0.00 H new ATOM 0 HA ASP A 45 7.990 13.250 -2.709 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.669 14.441 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 45 7.847 15.713 -0.974 1.00 0.00 H new ATOM 694 N GLU A 46 10.805 13.835 -2.124 1.00 0.00 N ATOM 695 CA GLU A 46 12.117 14.369 -2.499 1.00 0.00 C ATOM 696 C GLU A 46 12.132 14.777 -3.969 1.00 0.00 C ATOM 697 O GLU A 46 12.349 15.943 -4.304 1.00 0.00 O ATOM 698 CB GLU A 46 13.217 13.332 -2.246 1.00 0.00 C ATOM 699 CG GLU A 46 13.224 12.776 -0.833 1.00 0.00 C ATOM 700 CD GLU A 46 13.212 13.863 0.217 1.00 0.00 C ATOM 701 OE1 GLU A 46 14.239 14.551 0.382 1.00 0.00 O ATOM 702 OE2 GLU A 46 12.176 14.023 0.892 1.00 0.00 O ATOM 0 H GLU A 46 10.838 12.909 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 46 12.308 15.248 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.095 12.508 -2.950 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.186 13.787 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.355 12.132 -0.695 1.00 0.00 H new ATOM 0 HG3 GLU A 46 14.107 12.153 -0.696 1.00 0.00 H new ATOM 709 N LEU A 47 11.910 13.810 -4.844 1.00 0.00 N ATOM 710 CA LEU A 47 11.758 14.101 -6.259 1.00 0.00 C ATOM 711 C LEU A 47 10.321 14.522 -6.525 1.00 0.00 C ATOM 712 O LEU A 47 10.063 15.388 -7.359 1.00 0.00 O ATOM 713 CB LEU A 47 12.126 12.887 -7.113 1.00 0.00 C ATOM 714 CG LEU A 47 13.554 12.367 -6.926 1.00 0.00 C ATOM 715 CD1 LEU A 47 13.793 11.138 -7.791 1.00 0.00 C ATOM 716 CD2 LEU A 47 14.569 13.455 -7.254 1.00 0.00 C ATOM 0 H LEU A 47 11.831 12.822 -4.601 1.00 0.00 H new ATOM 0 HA LEU A 47 12.435 14.911 -6.531 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.430 12.079 -6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.985 13.145 -8.163 1.00 0.00 H new ATOM 0 HG LEU A 47 13.680 12.083 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.813 10.783 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.091 10.353 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.646 11.397 -8.840 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.578 13.066 -7.115 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.442 13.771 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.415 14.308 -6.593 1.00 0.00 H new ATOM 728 N GLY A 48 9.401 13.895 -5.790 1.00 0.00 N ATOM 729 CA GLY A 48 7.994 14.253 -5.835 1.00 0.00 C ATOM 730 C GLY A 48 7.427 14.302 -7.236 1.00 0.00 C ATOM 731 O GLY A 48 7.195 13.261 -7.857 1.00 0.00 O ATOM 0 H GLY A 48 9.615 13.129 -5.151 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.425 13.533 -5.247 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.860 15.227 -5.363 1.00 0.00 H new ATOM 735 N GLY A 49 7.229 15.520 -7.731 1.00 0.00 N ATOM 736 CA GLY A 49 6.663 15.724 -9.052 1.00 0.00 C ATOM 737 C GLY A 49 7.509 15.125 -10.157 1.00 0.00 C ATOM 738 O GLY A 49 6.999 14.821 -11.234 1.00 0.00 O ATOM 0 H GLY A 49 7.454 16.381 -7.232 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.666 15.284 -9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.546 16.793 -9.230 1.00 0.00 H new ATOM 742 N GLN A 50 8.800 14.953 -9.895 1.00 0.00 N ATOM 743 CA GLN A 50 9.695 14.316 -10.854 1.00 0.00 C ATOM 744 C GLN A 50 9.297 12.857 -11.068 1.00 0.00 C ATOM 745 O GLN A 50 9.544 12.285 -12.129 1.00 0.00 O ATOM 746 CB GLN A 50 11.143 14.421 -10.382 1.00 0.00 C ATOM 747 CG GLN A 50 11.697 15.835 -10.453 1.00 0.00 C ATOM 748 CD GLN A 50 13.080 15.954 -9.852 1.00 0.00 C ATOM 749 OE1 GLN A 50 13.233 16.240 -8.664 1.00 0.00 O ATOM 750 NE2 GLN A 50 14.098 15.719 -10.661 1.00 0.00 N ATOM 0 H GLN A 50 9.250 15.245 -9.027 1.00 0.00 H new ATOM 0 HA GLN A 50 9.609 14.835 -11.809 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.210 14.063 -9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.765 13.764 -10.990 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.730 16.156 -11.494 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.020 16.512 -9.932 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.929 15.485 -11.639 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.053 15.772 -10.307 1.00 0.00 H new ATOM 759 N GLY A 51 8.667 12.269 -10.059 1.00 0.00 N ATOM 760 CA GLY A 51 8.102 10.949 -10.217 1.00 0.00 C ATOM 761 C GLY A 51 8.783 9.870 -9.394 1.00 0.00 C ATOM 762 O GLY A 51 9.448 8.999 -9.944 1.00 0.00 O ATOM 0 H GLY A 51 8.539 12.684 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.047 10.984 -9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.151 10.670 -11.270 1.00 0.00 H new ATOM 766 N VAL A 52 8.609 9.913 -8.077 1.00 0.00 N ATOM 767 CA VAL A 52 9.036 8.800 -7.231 1.00 0.00 C ATOM 768 C VAL A 52 7.943 7.739 -7.235 1.00 0.00 C ATOM 769 O VAL A 52 8.201 6.544 -7.417 1.00 0.00 O ATOM 770 CB VAL A 52 9.317 9.233 -5.776 1.00 0.00 C ATOM 771 CG1 VAL A 52 9.906 8.076 -4.980 1.00 0.00 C ATOM 772 CG2 VAL A 52 10.248 10.431 -5.737 1.00 0.00 C ATOM 0 H VAL A 52 8.182 10.693 -7.577 1.00 0.00 H new ATOM 0 HA VAL A 52 9.969 8.411 -7.638 1.00 0.00 H new ATOM 0 HB VAL A 52 8.370 9.523 -5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.098 8.399 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.202 7.244 -4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.841 7.756 -5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.430 10.717 -4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.193 10.173 -6.214 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.790 11.265 -6.268 1.00 0.00 H new ATOM 782 N GLY A 53 6.707 8.202 -7.063 1.00 0.00 N ATOM 783 CA GLY A 53 5.560 7.329 -7.181 1.00 0.00 C ATOM 784 C GLY A 53 5.436 6.780 -8.583 1.00 0.00 C ATOM 785 O GLY A 53 4.878 5.710 -8.789 1.00 0.00 O ATOM 0 H GLY A 53 6.483 9.172 -6.843 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.651 6.506 -6.472 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.654 7.876 -6.920 1.00 0.00 H new ATOM 789 N LYS A 54 5.983 7.519 -9.546 1.00 0.00 N ATOM 790 CA LYS A 54 6.012 7.090 -10.943 1.00 0.00 C ATOM 791 C LYS A 54 6.744 5.757 -11.073 1.00 0.00 C ATOM 792 O LYS A 54 6.369 4.907 -11.875 1.00 0.00 O ATOM 793 CB LYS A 54 6.713 8.154 -11.801 1.00 0.00 C ATOM 794 CG LYS A 54 6.813 7.807 -13.280 1.00 0.00 C ATOM 795 CD LYS A 54 5.457 7.853 -13.961 1.00 0.00 C ATOM 796 CE LYS A 54 4.912 9.270 -14.034 1.00 0.00 C ATOM 797 NZ LYS A 54 3.537 9.298 -14.595 1.00 0.00 N ATOM 0 H LYS A 54 6.417 8.427 -9.382 1.00 0.00 H new ATOM 0 HA LYS A 54 4.987 6.964 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.177 9.097 -11.698 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.718 8.314 -11.410 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.491 8.504 -13.772 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.243 6.812 -13.392 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.541 7.443 -14.968 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.755 7.221 -13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.908 9.711 -13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.570 9.882 -14.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.177 10.274 -14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.554 8.947 -15.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.916 8.693 -14.021 1.00 0.00 H new ATOM 811 N LYS A 55 7.788 5.588 -10.270 1.00 0.00 N ATOM 812 CA LYS A 55 8.592 4.377 -10.288 1.00 0.00 C ATOM 813 C LYS A 55 7.803 3.210 -9.692 1.00 0.00 C ATOM 814 O LYS A 55 7.578 2.181 -10.347 1.00 0.00 O ATOM 815 CB LYS A 55 9.876 4.606 -9.480 1.00 0.00 C ATOM 816 CG LYS A 55 11.013 3.660 -9.827 1.00 0.00 C ATOM 817 CD LYS A 55 11.592 3.977 -11.196 1.00 0.00 C ATOM 818 CE LYS A 55 12.810 3.119 -11.501 1.00 0.00 C ATOM 819 NZ LYS A 55 13.355 3.385 -12.858 1.00 0.00 N ATOM 0 H LYS A 55 8.098 6.284 -9.592 1.00 0.00 H new ATOM 0 HA LYS A 55 8.850 4.134 -11.319 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.212 5.631 -9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.646 4.505 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.795 3.735 -9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.652 2.632 -9.811 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.831 3.815 -11.960 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.868 5.031 -11.240 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.583 3.310 -10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.541 2.066 -11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.184 2.779 -13.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.627 3.179 -13.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.636 4.384 -12.929 1.00 0.00 H new ATOM 833 N LEU A 56 7.365 3.399 -8.449 1.00 0.00 N ATOM 834 CA LEU A 56 6.642 2.368 -7.713 1.00 0.00 C ATOM 835 C LEU A 56 5.344 1.987 -8.416 1.00 0.00 C ATOM 836 O LEU A 56 5.056 0.806 -8.614 1.00 0.00 O ATOM 837 CB LEU A 56 6.330 2.850 -6.293 1.00 0.00 C ATOM 838 CG LEU A 56 7.549 3.106 -5.405 1.00 0.00 C ATOM 839 CD1 LEU A 56 7.114 3.681 -4.068 1.00 0.00 C ATOM 840 CD2 LEU A 56 8.336 1.819 -5.198 1.00 0.00 C ATOM 0 H LEU A 56 7.501 4.265 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 56 7.281 1.486 -7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.750 3.770 -6.359 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.697 2.108 -5.807 1.00 0.00 H new ATOM 0 HG LEU A 56 8.195 3.829 -5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.991 3.859 -3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.588 4.622 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 56 6.450 2.976 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 56 9.200 2.019 -4.564 1.00 0.00 H new ATOM 0 HD22 LEU A 56 7.699 1.076 -4.719 1.00 0.00 H new ATOM 0 HD23 LEU A 56 8.674 1.440 -6.163 1.00 0.00 H new ATOM 852 N LEU A 57 4.574 2.992 -8.810 1.00 0.00 N ATOM 853 CA LEU A 57 3.265 2.764 -9.399 1.00 0.00 C ATOM 854 C LEU A 57 3.391 2.198 -10.810 1.00 0.00 C ATOM 855 O LEU A 57 2.484 1.516 -11.283 1.00 0.00 O ATOM 856 CB LEU A 57 2.451 4.062 -9.404 1.00 0.00 C ATOM 857 CG LEU A 57 0.980 3.921 -9.797 1.00 0.00 C ATOM 858 CD1 LEU A 57 0.285 2.907 -8.903 1.00 0.00 C ATOM 859 CD2 LEU A 57 0.285 5.270 -9.706 1.00 0.00 C ATOM 0 H LEU A 57 4.836 3.975 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 57 2.739 2.028 -8.791 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.501 4.505 -8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.925 4.764 -10.090 1.00 0.00 H new ATOM 0 HG LEU A 57 0.926 3.566 -10.826 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.761 2.819 -9.197 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.773 1.938 -9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.344 3.236 -7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.762 5.160 -9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.348 5.644 -8.684 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.770 5.975 -10.381 1.00 0.00 H new ATOM 871 N LYS A 58 4.516 2.467 -11.475 1.00 0.00 N ATOM 872 CA LYS A 58 4.765 1.900 -12.797 1.00 0.00 C ATOM 873 C LYS A 58 4.725 0.387 -12.711 1.00 0.00 C ATOM 874 O LYS A 58 4.003 -0.265 -13.457 1.00 0.00 O ATOM 875 CB LYS A 58 6.124 2.336 -13.357 1.00 0.00 C ATOM 876 CG LYS A 58 6.363 1.891 -14.797 1.00 0.00 C ATOM 877 CD LYS A 58 7.783 2.194 -15.258 1.00 0.00 C ATOM 878 CE LYS A 58 8.809 1.283 -14.597 1.00 0.00 C ATOM 879 NZ LYS A 58 8.772 -0.100 -15.144 1.00 0.00 N ATOM 0 H LYS A 58 5.261 3.068 -11.122 1.00 0.00 H new ATOM 0 HA LYS A 58 3.989 2.266 -13.469 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.198 3.422 -13.304 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.915 1.932 -12.725 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.174 0.821 -14.882 1.00 0.00 H new ATOM 0 HG3 LYS A 58 5.653 2.393 -15.454 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.844 2.081 -16.340 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.023 3.233 -15.032 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.806 1.700 -14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.625 1.252 -13.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.600 -0.630 -14.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.903 -0.575 -14.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.787 -0.063 -16.183 1.00 0.00 H new ATOM 893 N ALA A 59 5.488 -0.159 -11.768 1.00 0.00 N ATOM 894 CA ALA A 59 5.535 -1.603 -11.569 1.00 0.00 C ATOM 895 C ALA A 59 4.156 -2.151 -11.214 1.00 0.00 C ATOM 896 O ALA A 59 3.797 -3.256 -11.621 1.00 0.00 O ATOM 897 CB ALA A 59 6.542 -1.959 -10.485 1.00 0.00 C ATOM 0 H ALA A 59 6.080 0.375 -11.132 1.00 0.00 H new ATOM 0 HA ALA A 59 5.853 -2.063 -12.505 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.564 -3.040 -10.350 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.532 -1.610 -10.779 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.252 -1.482 -9.549 1.00 0.00 H new ATOM 903 N VAL A 60 3.383 -1.372 -10.462 1.00 0.00 N ATOM 904 CA VAL A 60 2.028 -1.771 -10.104 1.00 0.00 C ATOM 905 C VAL A 60 1.138 -1.847 -11.346 1.00 0.00 C ATOM 906 O VAL A 60 0.459 -2.848 -11.564 1.00 0.00 O ATOM 907 CB VAL A 60 1.396 -0.806 -9.075 1.00 0.00 C ATOM 908 CG1 VAL A 60 -0.013 -1.251 -8.709 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.261 -0.714 -7.828 1.00 0.00 C ATOM 0 H VAL A 60 3.671 -0.466 -10.091 1.00 0.00 H new ATOM 0 HA VAL A 60 2.099 -2.758 -9.648 1.00 0.00 H new ATOM 0 HB VAL A 60 1.336 0.182 -9.531 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.437 -0.557 -7.984 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.634 -1.265 -9.604 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.022 -2.251 -8.276 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.800 -0.030 -7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.354 -1.701 -7.376 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.250 -0.344 -8.098 1.00 0.00 H new ATOM 919 N VAL A 61 1.161 -0.797 -12.164 1.00 0.00 N ATOM 920 CA VAL A 61 0.361 -0.757 -13.388 1.00 0.00 C ATOM 921 C VAL A 61 0.804 -1.843 -14.365 1.00 0.00 C ATOM 922 O VAL A 61 -0.025 -2.519 -14.980 1.00 0.00 O ATOM 923 CB VAL A 61 0.445 0.622 -14.084 1.00 0.00 C ATOM 924 CG1 VAL A 61 -0.330 0.622 -15.396 1.00 0.00 C ATOM 925 CG2 VAL A 61 -0.074 1.715 -13.165 1.00 0.00 C ATOM 0 H VAL A 61 1.724 0.038 -12.002 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.674 -0.934 -13.094 1.00 0.00 H new ATOM 0 HB VAL A 61 1.493 0.821 -14.308 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.254 1.604 -15.864 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.086 -0.132 -16.064 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.378 0.394 -15.200 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.007 2.678 -13.671 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.114 1.511 -12.908 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.526 1.741 -12.255 1.00 0.00 H new ATOM 935 N GLU A 62 2.113 -2.013 -14.492 1.00 0.00 N ATOM 936 CA GLU A 62 2.671 -3.029 -15.374 1.00 0.00 C ATOM 937 C GLU A 62 2.230 -4.426 -14.944 1.00 0.00 C ATOM 938 O GLU A 62 1.769 -5.217 -15.766 1.00 0.00 O ATOM 939 CB GLU A 62 4.196 -2.931 -15.396 1.00 0.00 C ATOM 940 CG GLU A 62 4.709 -1.651 -16.034 1.00 0.00 C ATOM 941 CD GLU A 62 6.217 -1.620 -16.143 1.00 0.00 C ATOM 942 OE1 GLU A 62 6.895 -1.834 -15.114 1.00 0.00 O ATOM 943 OE2 GLU A 62 6.736 -1.356 -17.249 1.00 0.00 O ATOM 0 H GLU A 62 2.810 -1.459 -13.994 1.00 0.00 H new ATOM 0 HA GLU A 62 2.295 -2.852 -16.382 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.572 -2.995 -14.375 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.600 -3.786 -15.938 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.274 -1.545 -17.028 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.373 -0.797 -15.447 1.00 0.00 H new ATOM 950 N HIS A 63 2.339 -4.713 -13.651 1.00 0.00 N ATOM 951 CA HIS A 63 1.960 -6.023 -13.131 1.00 0.00 C ATOM 952 C HIS A 63 0.445 -6.203 -13.177 1.00 0.00 C ATOM 953 O HIS A 63 -0.058 -7.321 -13.350 1.00 0.00 O ATOM 954 CB HIS A 63 2.469 -6.209 -11.699 1.00 0.00 C ATOM 955 CG HIS A 63 2.329 -7.615 -11.198 1.00 0.00 C ATOM 956 ND1 HIS A 63 2.904 -8.694 -11.831 1.00 0.00 N ATOM 957 CD2 HIS A 63 1.673 -8.116 -10.127 1.00 0.00 C ATOM 958 CE1 HIS A 63 2.612 -9.796 -11.172 1.00 0.00 C ATOM 959 NE2 HIS A 63 1.864 -9.476 -10.132 1.00 0.00 N ATOM 0 H HIS A 63 2.685 -4.061 -12.947 1.00 0.00 H new ATOM 0 HA HIS A 63 2.421 -6.781 -13.763 1.00 0.00 H new ATOM 0 HB2 HIS A 63 3.518 -5.917 -11.653 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.922 -5.538 -11.036 1.00 0.00 H new ATOM 0 HD1 HIS A 63 3.469 -8.647 -12.679 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.105 -7.552 -9.402 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.931 -10.793 -11.437 1.00 0.00 H new ATOM 968 N ALA A 64 -0.279 -5.102 -13.016 1.00 0.00 N ATOM 969 CA ALA A 64 -1.727 -5.126 -13.125 1.00 0.00 C ATOM 970 C ALA A 64 -2.140 -5.575 -14.516 1.00 0.00 C ATOM 971 O ALA A 64 -2.986 -6.447 -14.663 1.00 0.00 O ATOM 972 CB ALA A 64 -2.315 -3.762 -12.818 1.00 0.00 C ATOM 0 H ALA A 64 0.115 -4.184 -12.810 1.00 0.00 H new ATOM 0 HA ALA A 64 -2.113 -5.836 -12.394 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.401 -3.806 -12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -2.045 -3.469 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.923 -3.030 -13.523 1.00 0.00 H new ATOM 978 N ARG A 65 -1.513 -4.993 -15.532 1.00 0.00 N ATOM 979 CA ARG A 65 -1.791 -5.359 -16.916 1.00 0.00 C ATOM 980 C ARG A 65 -1.484 -6.831 -17.172 1.00 0.00 C ATOM 981 O ARG A 65 -2.201 -7.495 -17.920 1.00 0.00 O ATOM 982 CB ARG A 65 -0.991 -4.485 -17.880 1.00 0.00 C ATOM 983 CG ARG A 65 -1.542 -3.080 -18.034 1.00 0.00 C ATOM 984 CD ARG A 65 -0.709 -2.272 -19.012 1.00 0.00 C ATOM 985 NE ARG A 65 -1.330 -0.992 -19.348 1.00 0.00 N ATOM 986 CZ ARG A 65 -0.738 -0.044 -20.073 1.00 0.00 C ATOM 987 NH1 ARG A 65 0.497 -0.213 -20.527 1.00 0.00 N ATOM 988 NH2 ARG A 65 -1.393 1.072 -20.355 1.00 0.00 N ATOM 0 H ARG A 65 -0.808 -4.264 -15.423 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.854 -5.194 -17.090 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.040 -4.425 -17.531 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.969 -4.966 -18.858 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.574 -3.127 -18.382 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.555 -2.582 -17.064 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.277 -2.093 -18.584 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.560 -2.851 -19.923 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.274 -0.814 -19.006 1.00 0.00 H new ATOM 0 HH11 ARG A 65 1.002 -1.075 -20.322 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.941 0.519 -21.081 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.347 1.203 -20.017 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.944 1.801 -20.910 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.426 -7.341 -16.542 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.042 -8.743 -16.695 1.00 0.00 C ATOM 1004 C GLU A 66 -1.180 -9.670 -16.283 1.00 0.00 C ATOM 1005 O GLU A 66 -1.431 -10.694 -16.920 1.00 0.00 O ATOM 1006 CB GLU A 66 1.192 -9.073 -15.849 1.00 0.00 C ATOM 1007 CG GLU A 66 2.437 -8.285 -16.214 1.00 0.00 C ATOM 1008 CD GLU A 66 3.655 -8.758 -15.449 1.00 0.00 C ATOM 1009 OE1 GLU A 66 3.796 -8.409 -14.257 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.472 -9.498 -16.030 1.00 0.00 O ATOM 0 H GLU A 66 0.180 -6.804 -15.921 1.00 0.00 H new ATOM 0 HA GLU A 66 0.190 -8.897 -17.749 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.957 -8.891 -14.800 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.409 -10.137 -15.947 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.623 -8.377 -17.284 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.269 -7.228 -16.010 1.00 0.00 H new ATOM 1017 N ASN A 67 -1.874 -9.302 -15.214 1.00 0.00 N ATOM 1018 CA ASN A 67 -2.891 -10.174 -14.639 1.00 0.00 C ATOM 1019 C ASN A 67 -4.298 -9.619 -14.845 1.00 0.00 C ATOM 1020 O ASN A 67 -5.258 -10.133 -14.270 1.00 0.00 O ATOM 1021 CB ASN A 67 -2.615 -10.375 -13.145 1.00 0.00 C ATOM 1022 CG ASN A 67 -1.306 -11.099 -12.893 1.00 0.00 C ATOM 1023 OD1 ASN A 67 -1.273 -12.321 -12.763 1.00 0.00 O ATOM 1024 ND2 ASN A 67 -0.215 -10.352 -12.830 1.00 0.00 N ATOM 0 H ASN A 67 -1.753 -8.412 -14.730 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.840 -11.134 -15.154 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.592 -9.405 -12.648 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.433 -10.942 -12.700 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.693 -10.788 -12.669 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.282 -9.340 -12.943 1.00 0.00 H new ATOM 1031 N ASN A 68 -4.414 -8.587 -15.682 1.00 0.00 N ATOM 1032 CA ASN A 68 -5.700 -7.930 -15.948 1.00 0.00 C ATOM 1033 C ASN A 68 -6.359 -7.474 -14.648 1.00 0.00 C ATOM 1034 O ASN A 68 -7.568 -7.621 -14.460 1.00 0.00 O ATOM 1035 CB ASN A 68 -6.646 -8.856 -16.723 1.00 0.00 C ATOM 1036 CG ASN A 68 -6.228 -9.054 -18.168 1.00 0.00 C ATOM 1037 OD1 ASN A 68 -6.597 -8.272 -19.045 1.00 0.00 O ATOM 1038 ND2 ASN A 68 -5.468 -10.107 -18.431 1.00 0.00 N ATOM 0 H ASN A 68 -3.628 -8.184 -16.192 1.00 0.00 H new ATOM 0 HA ASN A 68 -5.499 -7.053 -16.563 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.685 -9.825 -16.226 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -7.654 -8.442 -16.695 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.168 -10.293 -19.388 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.183 -10.732 -17.677 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.552 -6.904 -13.768 1.00 0.00 N ATOM 1046 CA LEU A 69 -6.009 -6.482 -12.454 1.00 0.00 C ATOM 1047 C LEU A 69 -6.656 -5.105 -12.511 1.00 0.00 C ATOM 1048 O LEU A 69 -6.212 -4.225 -13.249 1.00 0.00 O ATOM 1049 CB LEU A 69 -4.833 -6.453 -11.472 1.00 0.00 C ATOM 1050 CG LEU A 69 -4.083 -7.776 -11.303 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -2.874 -7.593 -10.399 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -5.003 -8.851 -10.743 1.00 0.00 C ATOM 0 H LEU A 69 -4.564 -6.721 -13.944 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.754 -7.200 -12.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.125 -5.694 -11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.204 -6.139 -10.497 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.737 -8.097 -12.286 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.353 -8.544 -10.291 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.199 -6.858 -10.838 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.202 -7.245 -9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.448 -9.783 -10.631 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.382 -8.535 -9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.839 -9.006 -11.425 1.00 0.00 H new ATOM 1064 N LYS A 70 -7.708 -4.932 -11.730 1.00 0.00 N ATOM 1065 CA LYS A 70 -8.375 -3.645 -11.614 1.00 0.00 C ATOM 1066 C LYS A 70 -7.754 -2.861 -10.467 1.00 0.00 C ATOM 1067 O LYS A 70 -7.759 -3.321 -9.324 1.00 0.00 O ATOM 1068 CB LYS A 70 -9.875 -3.838 -11.366 1.00 0.00 C ATOM 1069 CG LYS A 70 -10.560 -4.721 -12.399 1.00 0.00 C ATOM 1070 CD LYS A 70 -10.472 -4.128 -13.795 1.00 0.00 C ATOM 1071 CE LYS A 70 -11.084 -5.054 -14.835 1.00 0.00 C ATOM 1072 NZ LYS A 70 -12.535 -5.296 -14.598 1.00 0.00 N ATOM 0 H LYS A 70 -8.122 -5.672 -11.163 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.250 -3.093 -12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.017 -4.274 -10.377 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.361 -2.862 -11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.101 -5.709 -12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.607 -4.855 -12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.985 -3.167 -13.816 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.428 -3.938 -14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.948 -4.622 -15.827 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.554 -6.006 -14.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.939 -5.804 -15.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.656 -5.867 -13.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.024 -4.386 -14.481 1.00 0.00 H new ATOM 1086 N ILE A 71 -7.210 -1.689 -10.768 1.00 0.00 N ATOM 1087 CA ILE A 71 -6.496 -0.915 -9.766 1.00 0.00 C ATOM 1088 C ILE A 71 -7.397 0.108 -9.086 1.00 0.00 C ATOM 1089 O ILE A 71 -7.981 0.982 -9.737 1.00 0.00 O ATOM 1090 CB ILE A 71 -5.267 -0.190 -10.362 1.00 0.00 C ATOM 1091 CG1 ILE A 71 -4.255 -1.211 -10.887 1.00 0.00 C ATOM 1092 CG2 ILE A 71 -4.617 0.718 -9.324 1.00 0.00 C ATOM 1093 CD1 ILE A 71 -2.958 -0.592 -11.372 1.00 0.00 C ATOM 0 H ILE A 71 -7.250 -1.258 -11.691 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.155 -1.635 -9.022 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.603 0.431 -11.193 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.032 -1.927 -10.096 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.708 -1.771 -11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.755 1.217 -9.766 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.338 1.465 -8.992 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.293 0.122 -8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.291 -1.377 -11.729 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.168 0.103 -12.185 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -2.481 -0.056 -10.551 1.00 0.00 H new ATOM 1105 N ILE A 72 -7.520 -0.033 -7.775 1.00 0.00 N ATOM 1106 CA ILE A 72 -8.127 0.984 -6.934 1.00 0.00 C ATOM 1107 C ILE A 72 -7.159 1.327 -5.807 1.00 0.00 C ATOM 1108 O ILE A 72 -6.260 0.538 -5.506 1.00 0.00 O ATOM 1109 CB ILE A 72 -9.482 0.529 -6.339 1.00 0.00 C ATOM 1110 CG1 ILE A 72 -9.326 -0.801 -5.595 1.00 0.00 C ATOM 1111 CG2 ILE A 72 -10.533 0.415 -7.434 1.00 0.00 C ATOM 1112 CD1 ILE A 72 -10.598 -1.288 -4.937 1.00 0.00 C ATOM 0 H ILE A 72 -7.201 -0.857 -7.265 1.00 0.00 H new ATOM 0 HA ILE A 72 -8.329 1.858 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.814 1.281 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.978 -1.560 -6.296 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.554 -0.692 -4.834 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -11.479 0.094 -6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.665 1.385 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.209 -0.316 -8.175 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.407 -2.234 -4.431 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.937 -0.550 -4.210 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -11.368 -1.431 -5.695 1.00 0.00 H new ATOM 1124 N ALA A 73 -7.318 2.489 -5.200 1.00 0.00 N ATOM 1125 CA ALA A 73 -6.398 2.919 -4.161 1.00 0.00 C ATOM 1126 C ALA A 73 -7.138 3.552 -2.994 1.00 0.00 C ATOM 1127 O ALA A 73 -8.066 4.338 -3.184 1.00 0.00 O ATOM 1128 CB ALA A 73 -5.377 3.890 -4.730 1.00 0.00 C ATOM 0 H ALA A 73 -8.069 3.148 -5.406 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.878 2.037 -3.787 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -4.694 4.204 -3.941 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.813 3.401 -5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.890 4.763 -5.134 1.00 0.00 H new ATOM 1134 N SER A 74 -6.724 3.194 -1.789 1.00 0.00 N ATOM 1135 CA SER A 74 -7.303 3.751 -0.581 1.00 0.00 C ATOM 1136 C SER A 74 -6.544 5.003 -0.155 1.00 0.00 C ATOM 1137 O SER A 74 -7.120 5.924 0.420 1.00 0.00 O ATOM 1138 CB SER A 74 -7.285 2.707 0.532 1.00 0.00 C ATOM 1139 OG SER A 74 -8.009 1.553 0.142 1.00 0.00 O ATOM 0 H SER A 74 -5.982 2.514 -1.623 1.00 0.00 H new ATOM 0 HA SER A 74 -8.337 4.032 -0.781 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.256 2.436 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.719 3.127 1.439 1.00 0.00 H new ATOM 0 HG SER A 74 -7.719 1.271 -0.751 1.00 0.00 H new ATOM 1145 N CYS A 75 -5.250 5.034 -0.446 1.00 0.00 N ATOM 1146 CA CYS A 75 -4.444 6.215 -0.176 1.00 0.00 C ATOM 1147 C CYS A 75 -4.741 7.296 -1.205 1.00 0.00 C ATOM 1148 O CYS A 75 -4.607 7.066 -2.409 1.00 0.00 O ATOM 1149 CB CYS A 75 -2.957 5.874 -0.196 1.00 0.00 C ATOM 1150 SG CYS A 75 -2.431 4.845 1.189 1.00 0.00 S ATOM 0 H CYS A 75 -4.739 4.258 -0.867 1.00 0.00 H new ATOM 0 HA CYS A 75 -4.700 6.584 0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -2.724 5.360 -1.128 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -2.381 6.799 -0.189 1.00 0.00 H new ATOM 0 HG CYS A 75 -3.288 3.883 1.365 1.00 0.00 H new ATOM 1156 N SER A 76 -5.139 8.472 -0.729 1.00 0.00 N ATOM 1157 CA SER A 76 -5.494 9.586 -1.606 1.00 0.00 C ATOM 1158 C SER A 76 -4.337 9.948 -2.537 1.00 0.00 C ATOM 1159 O SER A 76 -4.545 10.251 -3.714 1.00 0.00 O ATOM 1160 CB SER A 76 -5.887 10.803 -0.769 1.00 0.00 C ATOM 1161 OG SER A 76 -6.914 10.487 0.163 1.00 0.00 O ATOM 0 H SER A 76 -5.225 8.680 0.266 1.00 0.00 H new ATOM 0 HA SER A 76 -6.340 9.277 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.013 11.176 -0.236 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.225 11.604 -1.427 1.00 0.00 H new ATOM 0 HG SER A 76 -7.141 11.286 0.683 1.00 0.00 H new ATOM 1167 N PHE A 77 -3.122 9.892 -1.998 1.00 0.00 N ATOM 1168 CA PHE A 77 -1.913 10.217 -2.749 1.00 0.00 C ATOM 1169 C PHE A 77 -1.806 9.366 -4.013 1.00 0.00 C ATOM 1170 O PHE A 77 -1.559 9.883 -5.101 1.00 0.00 O ATOM 1171 CB PHE A 77 -0.683 10.006 -1.860 1.00 0.00 C ATOM 1172 CG PHE A 77 0.627 10.248 -2.552 1.00 0.00 C ATOM 1173 CD1 PHE A 77 1.025 11.533 -2.886 1.00 0.00 C ATOM 1174 CD2 PHE A 77 1.465 9.189 -2.867 1.00 0.00 C ATOM 1175 CE1 PHE A 77 2.233 11.757 -3.520 1.00 0.00 C ATOM 1176 CE2 PHE A 77 2.673 9.407 -3.500 1.00 0.00 C ATOM 1177 CZ PHE A 77 3.058 10.692 -3.827 1.00 0.00 C ATOM 0 H PHE A 77 -2.948 9.621 -1.030 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.964 11.262 -3.053 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.754 10.670 -0.998 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.696 8.985 -1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.384 12.369 -2.648 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.169 8.181 -2.614 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.531 12.763 -3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.316 8.573 -3.739 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.002 10.864 -4.322 1.00 0.00 H new ATOM 1187 N ALA A 78 -2.009 8.067 -3.866 1.00 0.00 N ATOM 1188 CA ALA A 78 -1.902 7.155 -4.993 1.00 0.00 C ATOM 1189 C ALA A 78 -3.156 7.202 -5.857 1.00 0.00 C ATOM 1190 O ALA A 78 -3.076 7.199 -7.085 1.00 0.00 O ATOM 1191 CB ALA A 78 -1.651 5.738 -4.506 1.00 0.00 C ATOM 0 H ALA A 78 -2.248 7.621 -2.980 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.057 7.472 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.573 5.068 -5.362 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.722 5.708 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.477 5.420 -3.870 1.00 0.00 H new ATOM 1197 N LYS A 79 -4.311 7.257 -5.202 1.00 0.00 N ATOM 1198 CA LYS A 79 -5.594 7.266 -5.896 1.00 0.00 C ATOM 1199 C LYS A 79 -5.713 8.454 -6.839 1.00 0.00 C ATOM 1200 O LYS A 79 -6.020 8.294 -8.020 1.00 0.00 O ATOM 1201 CB LYS A 79 -6.745 7.300 -4.888 1.00 0.00 C ATOM 1202 CG LYS A 79 -8.108 7.474 -5.535 1.00 0.00 C ATOM 1203 CD LYS A 79 -9.212 7.574 -4.499 1.00 0.00 C ATOM 1204 CE LYS A 79 -10.546 7.913 -5.144 1.00 0.00 C ATOM 1205 NZ LYS A 79 -10.529 9.252 -5.799 1.00 0.00 N ATOM 0 H LYS A 79 -4.385 7.296 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.650 6.352 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -6.740 6.375 -4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.578 8.116 -4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.106 8.372 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.306 6.632 -6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.295 6.630 -3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.956 8.338 -3.765 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -10.794 7.152 -5.883 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.330 7.890 -4.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.191 9.887 -5.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.569 9.649 -5.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -10.815 9.155 -6.794 1.00 0.00 H new ATOM 1219 N HIS A 80 -5.446 9.644 -6.321 1.00 0.00 N ATOM 1220 CA HIS A 80 -5.656 10.860 -7.087 1.00 0.00 C ATOM 1221 C HIS A 80 -4.599 11.002 -8.177 1.00 0.00 C ATOM 1222 O HIS A 80 -4.790 11.738 -9.145 1.00 0.00 O ATOM 1223 CB HIS A 80 -5.655 12.079 -6.164 1.00 0.00 C ATOM 1224 CG HIS A 80 -6.475 13.213 -6.691 1.00 0.00 C ATOM 1225 ND1 HIS A 80 -7.772 13.057 -7.126 1.00 0.00 N ATOM 1226 CD2 HIS A 80 -6.185 14.525 -6.842 1.00 0.00 C ATOM 1227 CE1 HIS A 80 -8.243 14.222 -7.521 1.00 0.00 C ATOM 1228 NE2 HIS A 80 -7.303 15.131 -7.361 1.00 0.00 N ATOM 0 H HIS A 80 -5.085 9.792 -5.378 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.631 10.798 -7.571 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -6.036 11.787 -5.185 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -4.629 12.417 -6.019 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -8.287 12.177 -7.140 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.249 15.006 -6.600 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.234 14.402 -7.911 1.00 0.00 H new ATOM 1237 N MET A 81 -3.491 10.282 -8.020 1.00 0.00 N ATOM 1238 CA MET A 81 -2.454 10.242 -9.044 1.00 0.00 C ATOM 1239 C MET A 81 -2.965 9.461 -10.249 1.00 0.00 C ATOM 1240 O MET A 81 -2.773 9.868 -11.397 1.00 0.00 O ATOM 1241 CB MET A 81 -1.178 9.591 -8.498 1.00 0.00 C ATOM 1242 CG MET A 81 -0.004 9.636 -9.466 1.00 0.00 C ATOM 1243 SD MET A 81 1.429 8.703 -8.877 1.00 0.00 S ATOM 1244 CE MET A 81 1.690 9.452 -7.274 1.00 0.00 C ATOM 0 H MET A 81 -3.290 9.719 -7.194 1.00 0.00 H new ATOM 0 HA MET A 81 -2.214 11.262 -9.344 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.893 10.091 -7.572 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.390 8.552 -8.247 1.00 0.00 H new ATOM 0 HG2 MET A 81 -0.319 9.238 -10.430 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.286 10.674 -9.629 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.747 9.395 -7.014 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.380 10.496 -7.306 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.103 8.922 -6.525 1.00 0.00 H new ATOM 1254 N LEU A 82 -3.643 8.352 -9.963 1.00 0.00 N ATOM 1255 CA LEU A 82 -4.250 7.513 -10.992 1.00 0.00 C ATOM 1256 C LEU A 82 -5.252 8.314 -11.816 1.00 0.00 C ATOM 1257 O LEU A 82 -5.347 8.159 -13.033 1.00 0.00 O ATOM 1258 CB LEU A 82 -4.965 6.321 -10.344 1.00 0.00 C ATOM 1259 CG LEU A 82 -4.084 5.402 -9.494 1.00 0.00 C ATOM 1260 CD1 LEU A 82 -4.946 4.474 -8.654 1.00 0.00 C ATOM 1261 CD2 LEU A 82 -3.146 4.594 -10.373 1.00 0.00 C ATOM 0 H LEU A 82 -3.787 8.010 -9.013 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.458 7.152 -11.649 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.772 6.701 -9.718 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.426 5.725 -11.132 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.484 6.022 -8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.306 3.826 -8.055 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.582 5.065 -7.996 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.569 3.864 -9.309 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.529 3.948 -9.749 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.729 3.984 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.506 5.270 -10.940 1.00 0.00 H new ATOM 1273 N GLU A 83 -5.985 9.185 -11.132 1.00 0.00 N ATOM 1274 CA GLU A 83 -7.018 10.001 -11.762 1.00 0.00 C ATOM 1275 C GLU A 83 -6.404 11.126 -12.595 1.00 0.00 C ATOM 1276 O GLU A 83 -7.038 11.654 -13.510 1.00 0.00 O ATOM 1277 CB GLU A 83 -7.926 10.604 -10.686 1.00 0.00 C ATOM 1278 CG GLU A 83 -8.480 9.582 -9.708 1.00 0.00 C ATOM 1279 CD GLU A 83 -9.323 10.209 -8.617 1.00 0.00 C ATOM 1280 OE1 GLU A 83 -8.756 10.659 -7.602 1.00 0.00 O ATOM 1281 OE2 GLU A 83 -10.561 10.243 -8.760 1.00 0.00 O ATOM 0 H GLU A 83 -5.881 9.346 -10.130 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.599 9.359 -12.425 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.366 11.357 -10.132 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.757 11.117 -11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.082 8.854 -10.252 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.653 9.036 -9.253 1.00 0.00 H new ATOM 1288 N LYS A 84 -5.169 11.487 -12.279 1.00 0.00 N ATOM 1289 CA LYS A 84 -4.536 12.653 -12.881 1.00 0.00 C ATOM 1290 C LYS A 84 -3.991 12.352 -14.275 1.00 0.00 C ATOM 1291 O LYS A 84 -4.188 13.132 -15.207 1.00 0.00 O ATOM 1292 CB LYS A 84 -3.404 13.158 -11.979 1.00 0.00 C ATOM 1293 CG LYS A 84 -2.721 14.416 -12.494 1.00 0.00 C ATOM 1294 CD LYS A 84 -1.538 14.798 -11.623 1.00 0.00 C ATOM 1295 CE LYS A 84 -0.828 16.031 -12.158 1.00 0.00 C ATOM 1296 NZ LYS A 84 -0.331 15.835 -13.548 1.00 0.00 N ATOM 0 H LYS A 84 -4.584 10.989 -11.608 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.299 13.424 -12.983 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.805 13.355 -10.985 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.659 12.370 -11.872 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.384 14.256 -13.518 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.437 15.237 -12.518 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.880 14.987 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.836 13.965 -11.574 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.511 16.880 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.010 16.277 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.341 16.592 -13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.146 14.914 -13.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.132 15.862 -14.210 1.00 0.00 H new ATOM 1310 N GLU A 85 -3.316 11.223 -14.428 1.00 0.00 N ATOM 1311 CA GLU A 85 -2.590 10.956 -15.659 1.00 0.00 C ATOM 1312 C GLU A 85 -3.252 9.853 -16.480 1.00 0.00 C ATOM 1313 O GLU A 85 -3.791 8.887 -15.935 1.00 0.00 O ATOM 1314 CB GLU A 85 -1.145 10.591 -15.340 1.00 0.00 C ATOM 1315 CG GLU A 85 -0.198 10.771 -16.513 1.00 0.00 C ATOM 1316 CD GLU A 85 1.235 10.464 -16.143 1.00 0.00 C ATOM 1317 OE1 GLU A 85 1.830 11.228 -15.351 1.00 0.00 O ATOM 1318 OE2 GLU A 85 1.767 9.440 -16.618 1.00 0.00 O ATOM 0 H GLU A 85 -3.256 10.486 -13.725 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.607 11.863 -16.263 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.800 11.204 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.106 9.553 -15.009 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.508 10.120 -17.331 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.265 11.796 -16.878 1.00 0.00 H new ATOM 1325 N ASP A 86 -3.185 10.009 -17.801 1.00 0.00 N ATOM 1326 CA ASP A 86 -3.797 9.074 -18.747 1.00 0.00 C ATOM 1327 C ASP A 86 -3.247 7.658 -18.577 1.00 0.00 C ATOM 1328 O ASP A 86 -3.984 6.676 -18.704 1.00 0.00 O ATOM 1329 CB ASP A 86 -3.546 9.552 -20.182 1.00 0.00 C ATOM 1330 CG ASP A 86 -4.026 8.559 -21.225 1.00 0.00 C ATOM 1331 OD1 ASP A 86 -3.234 7.676 -21.625 1.00 0.00 O ATOM 1332 OD2 ASP A 86 -5.192 8.661 -21.656 1.00 0.00 O ATOM 0 H ASP A 86 -2.704 10.789 -18.248 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.868 9.047 -18.544 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.050 10.506 -20.336 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.479 9.730 -20.320 1.00 0.00 H new ATOM 1337 N SER A 87 -1.959 7.570 -18.273 1.00 0.00 N ATOM 1338 CA SER A 87 -1.261 6.291 -18.170 1.00 0.00 C ATOM 1339 C SER A 87 -1.919 5.364 -17.149 1.00 0.00 C ATOM 1340 O SER A 87 -2.069 4.163 -17.390 1.00 0.00 O ATOM 1341 CB SER A 87 0.198 6.540 -17.786 1.00 0.00 C ATOM 1342 OG SER A 87 0.279 7.333 -16.612 1.00 0.00 O ATOM 0 H SER A 87 -1.367 8.381 -18.091 1.00 0.00 H new ATOM 0 HA SER A 87 -1.313 5.797 -19.140 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.704 5.588 -17.624 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.715 7.040 -18.605 1.00 0.00 H new ATOM 0 HG SER A 87 0.704 8.190 -16.825 1.00 0.00 H new ATOM 1348 N TYR A 88 -2.319 5.930 -16.020 1.00 0.00 N ATOM 1349 CA TYR A 88 -2.890 5.147 -14.934 1.00 0.00 C ATOM 1350 C TYR A 88 -4.364 4.851 -15.192 1.00 0.00 C ATOM 1351 O TYR A 88 -4.877 3.808 -14.783 1.00 0.00 O ATOM 1352 CB TYR A 88 -2.752 5.894 -13.612 1.00 0.00 C ATOM 1353 CG TYR A 88 -1.360 6.403 -13.326 1.00 0.00 C ATOM 1354 CD1 TYR A 88 -0.260 5.554 -13.346 1.00 0.00 C ATOM 1355 CD2 TYR A 88 -1.148 7.742 -13.031 1.00 0.00 C ATOM 1356 CE1 TYR A 88 1.010 6.027 -13.078 1.00 0.00 C ATOM 1357 CE2 TYR A 88 0.115 8.221 -12.759 1.00 0.00 C ATOM 1358 CZ TYR A 88 1.191 7.362 -12.783 1.00 0.00 C ATOM 1359 OH TYR A 88 2.449 7.843 -12.505 1.00 0.00 O ATOM 0 H TYR A 88 -2.259 6.931 -15.832 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.344 4.205 -14.880 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.442 6.738 -13.612 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.058 5.233 -12.801 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.400 4.508 -13.575 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.988 8.421 -13.014 1.00 0.00 H new ATOM 0 HE1 TYR A 88 1.856 5.356 -13.099 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.260 9.266 -12.528 1.00 0.00 H new ATOM 0 HH TYR A 88 2.987 7.134 -12.094 1.00 0.00 H new ATOM 1369 N GLN A 89 -5.027 5.774 -15.880 1.00 0.00 N ATOM 1370 CA GLN A 89 -6.456 5.665 -16.178 1.00 0.00 C ATOM 1371 C GLN A 89 -6.767 4.376 -16.943 1.00 0.00 C ATOM 1372 O GLN A 89 -7.878 3.852 -16.874 1.00 0.00 O ATOM 1373 CB GLN A 89 -6.900 6.879 -16.998 1.00 0.00 C ATOM 1374 CG GLN A 89 -8.375 6.887 -17.362 1.00 0.00 C ATOM 1375 CD GLN A 89 -8.719 8.017 -18.315 1.00 0.00 C ATOM 1376 OE1 GLN A 89 -7.764 8.388 -19.153 1.00 0.00 O flip ATOM 1377 NE2 GLN A 89 -9.834 8.541 -18.309 1.00 0.00 N flip ATOM 0 H GLN A 89 -4.592 6.620 -16.248 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.003 5.636 -15.236 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -6.672 7.785 -16.436 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.312 6.917 -17.915 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -8.641 5.934 -17.819 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.972 6.983 -16.455 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.542 8.225 -17.646 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.049 9.290 -18.967 1.00 0.00 H new ATOM 1386 N ASP A 90 -5.766 3.864 -17.648 1.00 0.00 N ATOM 1387 CA ASP A 90 -5.909 2.656 -18.457 1.00 0.00 C ATOM 1388 C ASP A 90 -6.422 1.471 -17.636 1.00 0.00 C ATOM 1389 O ASP A 90 -7.226 0.670 -18.121 1.00 0.00 O ATOM 1390 CB ASP A 90 -4.564 2.307 -19.093 1.00 0.00 C ATOM 1391 CG ASP A 90 -4.577 0.980 -19.822 1.00 0.00 C ATOM 1392 OD1 ASP A 90 -5.232 0.880 -20.877 1.00 0.00 O ATOM 1393 OD2 ASP A 90 -3.901 0.041 -19.358 1.00 0.00 O ATOM 0 H ASP A 90 -4.832 4.273 -17.676 1.00 0.00 H new ATOM 0 HA ASP A 90 -6.648 2.858 -19.232 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -4.284 3.096 -19.791 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -3.798 2.281 -18.318 1.00 0.00 H new ATOM 1398 N VAL A 91 -5.972 1.372 -16.393 1.00 0.00 N ATOM 1399 CA VAL A 91 -6.349 0.253 -15.532 1.00 0.00 C ATOM 1400 C VAL A 91 -7.034 0.731 -14.254 1.00 0.00 C ATOM 1401 O VAL A 91 -7.255 -0.048 -13.323 1.00 0.00 O ATOM 1402 CB VAL A 91 -5.127 -0.617 -15.166 1.00 0.00 C ATOM 1403 CG1 VAL A 91 -4.656 -1.413 -16.373 1.00 0.00 C ATOM 1404 CG2 VAL A 91 -3.998 0.247 -14.627 1.00 0.00 C ATOM 0 H VAL A 91 -5.347 2.050 -15.956 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.054 -0.352 -16.101 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.428 -1.318 -14.387 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.794 -2.020 -16.095 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.461 -2.062 -16.717 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -4.375 -0.728 -17.173 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.146 -0.384 -14.375 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.701 0.972 -15.385 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.337 0.773 -13.735 1.00 0.00 H new ATOM 1414 N TYR A 92 -7.383 2.006 -14.221 1.00 0.00 N ATOM 1415 CA TYR A 92 -8.060 2.580 -13.068 1.00 0.00 C ATOM 1416 C TYR A 92 -9.569 2.574 -13.290 1.00 0.00 C ATOM 1417 O TYR A 92 -10.043 2.920 -14.371 1.00 0.00 O ATOM 1418 CB TYR A 92 -7.558 4.006 -12.810 1.00 0.00 C ATOM 1419 CG TYR A 92 -8.244 4.709 -11.655 1.00 0.00 C ATOM 1420 CD1 TYR A 92 -8.168 4.208 -10.360 1.00 0.00 C ATOM 1421 CD2 TYR A 92 -8.968 5.875 -11.863 1.00 0.00 C ATOM 1422 CE1 TYR A 92 -8.795 4.850 -9.307 1.00 0.00 C ATOM 1423 CE2 TYR A 92 -9.597 6.524 -10.816 1.00 0.00 C ATOM 1424 CZ TYR A 92 -9.507 6.009 -9.540 1.00 0.00 C ATOM 1425 OH TYR A 92 -10.135 6.652 -8.494 1.00 0.00 O ATOM 0 H TYR A 92 -7.209 2.665 -14.980 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.836 1.974 -12.190 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.486 3.972 -12.614 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.698 4.597 -13.715 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.610 3.302 -10.173 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.041 6.283 -12.860 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.728 4.446 -8.308 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.156 7.430 -10.997 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.591 7.452 -8.828 1.00 0.00 H new ATOM 1435 N LEU A 93 -10.315 2.164 -12.271 1.00 0.00 N ATOM 1436 CA LEU A 93 -11.770 2.097 -12.371 1.00 0.00 C ATOM 1437 C LEU A 93 -12.394 3.486 -12.265 1.00 0.00 C ATOM 1438 O LEU A 93 -12.904 4.022 -13.248 1.00 0.00 O ATOM 1439 CB LEU A 93 -12.341 1.178 -11.287 1.00 0.00 C ATOM 1440 CG LEU A 93 -11.925 -0.292 -11.391 1.00 0.00 C ATOM 1441 CD1 LEU A 93 -12.518 -1.096 -10.246 1.00 0.00 C ATOM 1442 CD2 LEU A 93 -12.359 -0.872 -12.729 1.00 0.00 C ATOM 0 H LEU A 93 -9.939 1.874 -11.368 1.00 0.00 H new ATOM 0 HA LEU A 93 -12.019 1.685 -13.349 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -12.033 1.558 -10.313 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -13.429 1.234 -11.322 1.00 0.00 H new ATOM 0 HG LEU A 93 -10.839 -0.349 -11.325 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -12.212 -2.138 -10.336 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -12.163 -0.694 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -13.606 -1.033 -10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -12.056 -1.917 -12.788 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -13.443 -0.802 -12.821 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -11.889 -0.312 -13.538 1.00 0.00 H new ATOM 1454 N GLY A 94 -12.362 4.062 -11.069 1.00 0.00 N ATOM 1455 CA GLY A 94 -12.888 5.402 -10.874 1.00 0.00 C ATOM 1456 C GLY A 94 -14.397 5.438 -10.718 1.00 0.00 C ATOM 1457 O GLY A 94 -14.915 5.994 -9.749 1.00 0.00 O ATOM 0 H GLY A 94 -11.981 3.625 -10.230 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -12.428 5.840 -9.988 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -12.603 6.024 -11.722 1.00 0.00 H new ATOM 1461 N LEU A 95 -15.101 4.852 -11.673 1.00 0.00 N ATOM 1462 CA LEU A 95 -16.557 4.848 -11.655 1.00 0.00 C ATOM 1463 C LEU A 95 -17.087 3.834 -10.649 1.00 0.00 C ATOM 1464 O LEU A 95 -16.434 2.825 -10.367 1.00 0.00 O ATOM 1465 CB LEU A 95 -17.103 4.542 -13.051 1.00 0.00 C ATOM 1466 CG LEU A 95 -16.738 5.563 -14.131 1.00 0.00 C ATOM 1467 CD1 LEU A 95 -17.309 5.142 -15.477 1.00 0.00 C ATOM 1468 CD2 LEU A 95 -17.245 6.948 -13.749 1.00 0.00 C ATOM 0 H LEU A 95 -14.688 4.372 -12.472 1.00 0.00 H new ATOM 0 HA LEU A 95 -16.896 5.838 -11.351 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -16.737 3.563 -13.360 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -18.189 4.472 -12.992 1.00 0.00 H new ATOM 0 HG LEU A 95 -15.652 5.603 -14.213 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -17.040 5.879 -16.233 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -16.902 4.170 -15.757 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -18.395 5.074 -15.407 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -16.977 7.661 -14.528 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -18.329 6.921 -13.639 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -16.792 7.254 -12.806 1.00 0.00 H new ATOM 1480 N GLU A 96 -18.269 4.107 -10.114 1.00 0.00 N ATOM 1481 CA GLU A 96 -18.891 3.228 -9.135 1.00 0.00 C ATOM 1482 C GLU A 96 -19.860 2.269 -9.807 1.00 0.00 C ATOM 1483 O GLU A 96 -20.494 2.611 -10.808 1.00 0.00 O ATOM 1484 CB GLU A 96 -19.655 4.043 -8.090 1.00 0.00 C ATOM 1485 CG GLU A 96 -18.775 4.871 -7.173 1.00 0.00 C ATOM 1486 CD GLU A 96 -19.589 5.627 -6.142 1.00 0.00 C ATOM 1487 OE1 GLU A 96 -20.456 5.007 -5.491 1.00 0.00 O ATOM 1488 OE2 GLU A 96 -19.377 6.847 -5.987 1.00 0.00 O ATOM 0 H GLU A 96 -18.819 4.935 -10.343 1.00 0.00 H new ATOM 0 HA GLU A 96 -18.096 2.661 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -20.350 4.707 -8.603 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -20.253 3.363 -7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -18.063 4.219 -6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -18.195 5.577 -7.767 1.00 0.00 H new ATOM 1495 N HIS A 97 -19.972 1.068 -9.259 1.00 0.00 N ATOM 1496 CA HIS A 97 -21.007 0.144 -9.682 1.00 0.00 C ATOM 1497 C HIS A 97 -22.354 0.733 -9.291 1.00 0.00 C ATOM 1498 O HIS A 97 -22.567 1.070 -8.126 1.00 0.00 O ATOM 1499 CB HIS A 97 -20.806 -1.225 -9.026 1.00 0.00 C ATOM 1500 CG HIS A 97 -21.652 -2.308 -9.618 1.00 0.00 C ATOM 1501 ND1 HIS A 97 -21.313 -2.966 -10.776 1.00 0.00 N ATOM 1502 CD2 HIS A 97 -22.820 -2.856 -9.205 1.00 0.00 C ATOM 1503 CE1 HIS A 97 -22.229 -3.873 -11.051 1.00 0.00 C ATOM 1504 NE2 HIS A 97 -23.157 -3.829 -10.113 1.00 0.00 N ATOM 0 H HIS A 97 -19.360 0.714 -8.524 1.00 0.00 H new ATOM 0 HA HIS A 97 -20.962 0.000 -10.762 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -19.757 -1.508 -9.112 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -21.028 -1.144 -7.962 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -23.382 -2.579 -8.325 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -22.222 -4.540 -11.901 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -23.987 -4.420 -10.070 1.00 0.00 H new ATOM 1513 N HIS A 98 -23.245 0.881 -10.261 1.00 0.00 N ATOM 1514 CA HIS A 98 -24.505 1.578 -10.024 1.00 0.00 C ATOM 1515 C HIS A 98 -25.323 0.879 -8.947 1.00 0.00 C ATOM 1516 O HIS A 98 -25.500 -0.338 -8.969 1.00 0.00 O ATOM 1517 CB HIS A 98 -25.306 1.722 -11.317 1.00 0.00 C ATOM 1518 CG HIS A 98 -24.642 2.621 -12.320 1.00 0.00 C ATOM 1519 ND1 HIS A 98 -24.252 3.914 -12.033 1.00 0.00 N ATOM 1520 CD2 HIS A 98 -24.274 2.397 -13.601 1.00 0.00 C ATOM 1521 CE1 HIS A 98 -23.673 4.442 -13.095 1.00 0.00 C ATOM 1522 NE2 HIS A 98 -23.673 3.542 -14.057 1.00 0.00 N ATOM 0 H HIS A 98 -23.123 0.532 -11.212 1.00 0.00 H new ATOM 0 HA HIS A 98 -24.269 2.580 -9.666 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -25.451 0.737 -11.760 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -26.295 2.115 -11.083 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -24.425 1.486 -14.161 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -23.268 5.441 -13.164 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -23.287 3.676 -14.992 1.00 0.00 H new ATOM 1531 N HIS A 99 -25.815 1.668 -8.004 1.00 0.00 N ATOM 1532 CA HIS A 99 -26.475 1.148 -6.816 1.00 0.00 C ATOM 1533 C HIS A 99 -27.967 0.956 -7.074 1.00 0.00 C ATOM 1534 O HIS A 99 -28.581 0.031 -6.541 1.00 0.00 O ATOM 1535 CB HIS A 99 -26.262 2.123 -5.652 1.00 0.00 C ATOM 1536 CG HIS A 99 -26.436 1.530 -4.283 1.00 0.00 C ATOM 1537 ND1 HIS A 99 -25.542 1.751 -3.265 1.00 0.00 N ATOM 1538 CD2 HIS A 99 -27.420 0.768 -3.753 1.00 0.00 C ATOM 1539 CE1 HIS A 99 -25.967 1.160 -2.168 1.00 0.00 C ATOM 1540 NE2 HIS A 99 -27.110 0.555 -2.432 1.00 0.00 N ATOM 0 H HIS A 99 -25.768 2.686 -8.041 1.00 0.00 H new ATOM 0 HA HIS A 99 -26.045 0.179 -6.563 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -25.257 2.538 -5.726 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -26.959 2.954 -5.762 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -28.290 0.395 -4.273 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -25.464 1.169 -1.212 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -27.669 0.020 -1.767 1.00 0.00 H new ATOM 1549 N HIS A 100 -28.529 1.835 -7.908 1.00 0.00 N ATOM 1550 CA HIS A 100 -29.967 1.844 -8.214 1.00 0.00 C ATOM 1551 C HIS A 100 -30.775 2.324 -7.010 1.00 0.00 C ATOM 1552 O HIS A 100 -31.248 3.457 -6.985 1.00 0.00 O ATOM 1553 CB HIS A 100 -30.475 0.463 -8.665 1.00 0.00 C ATOM 1554 CG HIS A 100 -29.958 0.019 -9.999 1.00 0.00 C ATOM 1555 ND1 HIS A 100 -30.622 0.257 -11.181 1.00 0.00 N ATOM 1556 CD2 HIS A 100 -28.842 -0.672 -10.333 1.00 0.00 C ATOM 1557 CE1 HIS A 100 -29.942 -0.267 -12.179 1.00 0.00 C ATOM 1558 NE2 HIS A 100 -28.856 -0.838 -11.696 1.00 0.00 N ATOM 0 H HIS A 100 -28.002 2.562 -8.392 1.00 0.00 H new ATOM 0 HA HIS A 100 -30.107 2.538 -9.043 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -30.194 -0.277 -7.915 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -31.564 0.484 -8.700 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -28.082 -1.027 -9.653 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -30.226 -0.235 -13.220 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -28.145 -1.322 -12.244 1.00 0.00 H new ATOM 1567 N HIS A 101 -30.900 1.467 -6.005 1.00 0.00 N ATOM 1568 CA HIS A 101 -31.660 1.797 -4.803 1.00 0.00 C ATOM 1569 C HIS A 101 -30.736 2.347 -3.727 1.00 0.00 C ATOM 1570 O HIS A 101 -29.622 2.781 -4.018 1.00 0.00 O ATOM 1571 CB HIS A 101 -32.398 0.565 -4.273 1.00 0.00 C ATOM 1572 CG HIS A 101 -33.443 0.050 -5.206 1.00 0.00 C ATOM 1573 ND1 HIS A 101 -33.564 -1.278 -5.539 1.00 0.00 N ATOM 1574 CD2 HIS A 101 -34.417 0.698 -5.882 1.00 0.00 C ATOM 1575 CE1 HIS A 101 -34.566 -1.424 -6.383 1.00 0.00 C ATOM 1576 NE2 HIS A 101 -35.102 -0.238 -6.609 1.00 0.00 N ATOM 0 H HIS A 101 -30.484 0.536 -5.997 1.00 0.00 H new ATOM 0 HA HIS A 101 -32.395 2.558 -5.065 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -31.674 -0.226 -4.078 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -32.864 0.813 -3.319 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -34.618 1.759 -5.854 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -34.894 -2.357 -6.817 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -35.895 -0.051 -7.223 1.00 0.00 H new ATOM 1585 N HIS A 102 -31.201 2.341 -2.489 1.00 0.00 N ATOM 1586 CA HIS A 102 -30.393 2.806 -1.372 1.00 0.00 C ATOM 1587 C HIS A 102 -30.076 1.639 -0.450 1.00 0.00 C ATOM 1588 O HIS A 102 -29.156 0.857 -0.771 1.00 0.00 O ATOM 1589 CB HIS A 102 -31.117 3.918 -0.598 1.00 0.00 C ATOM 1590 CG HIS A 102 -31.366 5.154 -1.407 1.00 0.00 C ATOM 1591 ND1 HIS A 102 -30.684 6.332 -1.215 1.00 0.00 N ATOM 1592 CD2 HIS A 102 -32.227 5.386 -2.426 1.00 0.00 C ATOM 1593 CE1 HIS A 102 -31.110 7.233 -2.079 1.00 0.00 C ATOM 1594 NE2 HIS A 102 -32.047 6.684 -2.831 1.00 0.00 N ATOM 1595 OXT HIS A 102 -30.759 1.489 0.577 1.00 0.00 O ATOM 0 H HIS A 102 -32.134 2.019 -2.231 1.00 0.00 H new ATOM 0 HA HIS A 102 -29.462 3.219 -1.761 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -32.071 3.534 -0.236 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -30.526 4.182 0.279 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -32.928 4.678 -2.844 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -30.753 8.249 -2.158 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -32.552 7.148 -3.586 1.00 0.00 H new TER 1604 HIS A 102