USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 812 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 22 ASN : amide:sc= -6.62 K(o=-8.5,f=-9.1!) USER MOD Set 1.2: A 81 THR OG1 : rot -110:sc= -1.86 USER MOD Set 2.1: A 21 LYS NZ :NH3+ -122:sc= -0.47 (180deg=-1) USER MOD Set 2.2: A 27 LYS NZ :NH3+ -149:sc= -0.295 (180deg=-0.599) USER MOD Set 3.1: A 24 HIS : no HD1:sc= -0.205 K(o=-0.92,f=-2.1) USER MOD Set 3.2: A 74 HIS : no HD1:sc= -0.718 X(o=-0.92,f=-0.56) USER MOD Set 4.1: A 20 HIS : no HD1:sc= -14.6! C(o=-15!,f=-19!) USER MOD Set 4.2: A 31 HIS : no HD1:sc= -0.324 K(o=-15,f=-16) USER MOD Single : A 1 MET CE :methyl -151:sc= -0.279 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -164:sc= 0.114 (180deg=0.0587) USER MOD Single : A 6 ASN : amide:sc= -0.0596 X(o=-0.06,f=-0.045) USER MOD Single : A 13 GLN : amide:sc= -0.0738 X(o=-0.074,f=-0.45) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.539 X(o=-0.54,f=-0.85) USER MOD Single : A 35 ASN : amide:sc= -1.9 K(o=-1.9,f=-2.7!) USER MOD Single : A 36 HIS : no HD1:sc= -0.744 K(o=-0.74,f=-1.7!) USER MOD Single : A 38 GLN : amide:sc=-0.00658 X(o=-0.0066,f=0) USER MOD Single : A 39 ASN : amide:sc=0.000747 X(o=0.00075,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -10.1! C(o=-10!,f=-9!) USER MOD Single : A 48 MET CE :methyl -177:sc= -3.69! (180deg=-3.76!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 53 SER OG : rot -170:sc= -0.421 USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= -2.71 (180deg=-2.9) USER MOD Single : A 58 GLN : amide:sc= -0.985 K(o=-0.98,f=-2.6!) USER MOD Single : A 60 MET CE :methyl 156:sc= -4.03! (180deg=-6.47!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.726 X(o=-0.73,f=-1.2!) USER MOD Single : A 66 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.0371 X(o=-0.037,f=-0.53) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.794 K(o=-0.79,f=-1.7) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= 0.525 K(o=0.53,f=-2.7!) USER MOD Single : A 83 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-0.64) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= -2.1 K(o=-2.1,f=-3.7!) USER MOD Single : A 88 ASN : amide:sc= -8.07! C(o=-8.1!,f=-5.7!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.345 K(o=-0.34,f=-1.2) USER MOD Single : A 95 HIS : no HD1:sc= -0.214 X(o=-0.21,f=-0.16) USER MOD Single : A 101 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.198 -21.714 2.674 1.00 0.00 N ATOM 2 CA MET A 1 -2.511 -20.846 3.840 1.00 0.00 C ATOM 3 C MET A 1 -1.446 -19.770 4.027 1.00 0.00 C ATOM 4 O MET A 1 -0.334 -20.053 4.470 1.00 0.00 O ATOM 5 CB MET A 1 -2.604 -21.724 5.090 1.00 0.00 C ATOM 6 CG MET A 1 -3.816 -21.425 5.955 1.00 0.00 C ATOM 7 SD MET A 1 -4.273 -22.810 7.015 1.00 0.00 S ATOM 8 CE MET A 1 -4.758 -24.026 5.792 1.00 0.00 C ATOM 0 H1 MET A 1 -2.939 -22.437 2.570 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.156 -21.135 1.811 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.280 -22.179 2.824 1.00 0.00 H new ATOM 0 HA MET A 1 -3.461 -20.340 3.666 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.634 -22.771 4.787 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.701 -21.590 5.686 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.609 -20.552 6.574 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.660 -21.169 5.315 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.510 -24.690 6.218 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.172 -23.520 4.920 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.887 -24.609 5.493 1.00 0.00 H new ATOM 20 N TYR A 2 -1.796 -18.533 3.686 1.00 0.00 N ATOM 21 CA TYR A 2 -0.871 -17.412 3.816 1.00 0.00 C ATOM 22 C TYR A 2 -1.619 -16.125 4.143 1.00 0.00 C ATOM 23 O TYR A 2 -1.974 -15.358 3.249 1.00 0.00 O ATOM 24 CB TYR A 2 -0.065 -17.237 2.528 1.00 0.00 C ATOM 25 CG TYR A 2 1.196 -18.069 2.487 1.00 0.00 C ATOM 26 CD1 TYR A 2 2.086 -18.068 3.553 1.00 0.00 C ATOM 27 CD2 TYR A 2 1.496 -18.856 1.382 1.00 0.00 C ATOM 28 CE1 TYR A 2 3.240 -18.828 3.520 1.00 0.00 C ATOM 29 CE2 TYR A 2 2.648 -19.620 1.341 1.00 0.00 C ATOM 30 CZ TYR A 2 3.517 -19.602 2.412 1.00 0.00 C ATOM 31 OH TYR A 2 4.664 -20.360 2.375 1.00 0.00 O ATOM 0 H TYR A 2 -2.713 -18.282 3.318 1.00 0.00 H new ATOM 0 HA TYR A 2 -0.187 -17.630 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -0.693 -17.502 1.677 1.00 0.00 H new ATOM 0 HB3 TYR A 2 0.199 -16.186 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 2 1.873 -17.463 4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 2 0.818 -18.871 0.541 1.00 0.00 H new ATOM 0 HE1 TYR A 2 3.922 -18.816 4.358 1.00 0.00 H new ATOM 0 HE2 TYR A 2 2.866 -20.227 0.475 1.00 0.00 H new ATOM 0 HH TYR A 2 4.707 -20.846 1.525 1.00 0.00 H new ATOM 41 N GLY A 3 -1.860 -15.895 5.431 1.00 0.00 N ATOM 42 CA GLY A 3 -2.569 -14.700 5.851 1.00 0.00 C ATOM 43 C GLY A 3 -1.723 -13.779 6.708 1.00 0.00 C ATOM 44 O GLY A 3 -2.083 -12.623 6.923 1.00 0.00 O ATOM 0 H GLY A 3 -1.577 -16.515 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -2.908 -14.157 4.969 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.460 -14.990 6.409 1.00 0.00 H new ATOM 48 N LYS A 4 -0.597 -14.287 7.202 1.00 0.00 N ATOM 49 CA LYS A 4 0.288 -13.487 8.042 1.00 0.00 C ATOM 50 C LYS A 4 1.027 -12.451 7.226 1.00 0.00 C ATOM 51 O LYS A 4 1.499 -11.452 7.771 1.00 0.00 O ATOM 52 CB LYS A 4 1.289 -14.373 8.779 1.00 0.00 C ATOM 53 CG LYS A 4 2.029 -13.654 9.895 1.00 0.00 C ATOM 54 CD LYS A 4 1.317 -13.812 11.229 1.00 0.00 C ATOM 55 CE LYS A 4 0.108 -12.896 11.326 1.00 0.00 C ATOM 56 NZ LYS A 4 -0.057 -12.337 12.696 1.00 0.00 N ATOM 0 H LYS A 4 -0.278 -15.242 7.037 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.335 -12.974 8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.763 -15.232 9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.014 -14.761 8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.042 -14.048 9.974 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.117 -12.595 9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.001 -14.848 11.354 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.009 -13.590 12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.213 -12.080 10.611 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.790 -13.449 11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.016 -11.948 12.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.088 -13.090 13.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.641 -11.582 12.849 1.00 0.00 H new ATOM 70 N LEU A 5 1.105 -12.658 5.918 1.00 0.00 N ATOM 71 CA LEU A 5 1.763 -11.690 5.063 1.00 0.00 C ATOM 72 C LEU A 5 1.178 -10.307 5.333 1.00 0.00 C ATOM 73 O LEU A 5 1.822 -9.285 5.097 1.00 0.00 O ATOM 74 CB LEU A 5 1.602 -12.062 3.589 1.00 0.00 C ATOM 75 CG LEU A 5 2.792 -11.686 2.704 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.186 -10.239 2.944 1.00 0.00 C ATOM 77 CD2 LEU A 5 3.969 -12.611 2.976 1.00 0.00 C ATOM 0 H LEU A 5 0.727 -13.474 5.436 1.00 0.00 H new ATOM 0 HA LEU A 5 2.830 -11.685 5.286 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.436 -13.137 3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.708 -11.574 3.200 1.00 0.00 H new ATOM 0 HG LEU A 5 2.501 -11.799 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.034 -9.983 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.344 -9.588 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.463 -10.106 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.807 -12.330 2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.264 -12.526 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.680 -13.640 2.763 1.00 0.00 H new ATOM 89 N ASN A 6 -0.051 -10.294 5.856 1.00 0.00 N ATOM 90 CA ASN A 6 -0.725 -9.055 6.185 1.00 0.00 C ATOM 91 C ASN A 6 -0.003 -8.331 7.308 1.00 0.00 C ATOM 92 O ASN A 6 0.083 -7.103 7.307 1.00 0.00 O ATOM 93 CB ASN A 6 -2.175 -9.320 6.570 1.00 0.00 C ATOM 94 CG ASN A 6 -2.903 -8.065 7.012 1.00 0.00 C ATOM 95 OD1 ASN A 6 -3.356 -7.965 8.152 1.00 0.00 O ATOM 96 ND2 ASN A 6 -3.019 -7.099 6.108 1.00 0.00 N ATOM 0 H ASN A 6 -0.593 -11.134 6.058 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.712 -8.417 5.302 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.698 -9.758 5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.204 -10.054 7.375 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -3.499 -6.231 6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.628 -7.225 5.174 1.00 0.00 H new ATOM 103 N ASP A 7 0.537 -9.092 8.259 1.00 0.00 N ATOM 104 CA ASP A 7 1.275 -8.500 9.368 1.00 0.00 C ATOM 105 C ASP A 7 2.279 -7.495 8.822 1.00 0.00 C ATOM 106 O ASP A 7 2.522 -6.444 9.415 1.00 0.00 O ATOM 107 CB ASP A 7 1.995 -9.582 10.174 1.00 0.00 C ATOM 108 CG ASP A 7 2.090 -9.240 11.648 1.00 0.00 C ATOM 109 OD1 ASP A 7 1.954 -8.046 11.990 1.00 0.00 O ATOM 110 OD2 ASP A 7 2.301 -10.164 12.461 1.00 0.00 O ATOM 0 H ASP A 7 0.477 -10.110 8.282 1.00 0.00 H new ATOM 0 HA ASP A 7 0.575 -7.992 10.032 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.468 -10.529 10.057 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.998 -9.724 9.772 1.00 0.00 H new ATOM 115 N LEU A 8 2.835 -7.828 7.661 1.00 0.00 N ATOM 116 CA LEU A 8 3.791 -6.967 6.986 1.00 0.00 C ATOM 117 C LEU A 8 3.061 -5.985 6.078 1.00 0.00 C ATOM 118 O LEU A 8 3.541 -4.879 5.834 1.00 0.00 O ATOM 119 CB LEU A 8 4.780 -7.805 6.170 1.00 0.00 C ATOM 120 CG LEU A 8 5.773 -7.011 5.312 1.00 0.00 C ATOM 121 CD1 LEU A 8 5.103 -6.489 4.050 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.382 -5.867 6.112 1.00 0.00 C ATOM 0 H LEU A 8 2.635 -8.698 7.167 1.00 0.00 H new ATOM 0 HA LEU A 8 4.347 -6.407 7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.344 -8.437 6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.213 -8.469 5.517 1.00 0.00 H new ATOM 0 HG LEU A 8 6.577 -7.685 5.014 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.827 -5.929 3.458 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.727 -7.328 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.274 -5.835 4.322 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.083 -5.317 5.484 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.591 -5.196 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.908 -6.268 6.978 1.00 0.00 H new ATOM 134 N LEU A 9 1.893 -6.393 5.575 1.00 0.00 N ATOM 135 CA LEU A 9 1.115 -5.533 4.696 1.00 0.00 C ATOM 136 C LEU A 9 0.494 -4.380 5.483 1.00 0.00 C ATOM 137 O LEU A 9 0.234 -3.312 4.935 1.00 0.00 O ATOM 138 CB LEU A 9 0.025 -6.339 3.986 1.00 0.00 C ATOM 139 CG LEU A 9 -0.135 -6.040 2.493 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.348 -6.764 1.931 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.249 -4.542 2.256 1.00 0.00 C ATOM 0 H LEU A 9 1.474 -7.304 5.762 1.00 0.00 H new ATOM 0 HA LEU A 9 1.785 -5.116 3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.242 -7.400 4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.927 -6.150 4.483 1.00 0.00 H new ATOM 0 HG LEU A 9 0.752 -6.402 1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.446 -6.540 0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.225 -7.839 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.244 -6.433 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.362 -4.350 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.118 -4.154 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.651 -4.046 2.620 1.00 0.00 H new ATOM 153 N GLU A 10 0.259 -4.606 6.773 1.00 0.00 N ATOM 154 CA GLU A 10 -0.333 -3.589 7.636 1.00 0.00 C ATOM 155 C GLU A 10 0.518 -2.322 7.663 1.00 0.00 C ATOM 156 O GLU A 10 -0.002 -1.213 7.542 1.00 0.00 O ATOM 157 CB GLU A 10 -0.503 -4.132 9.056 1.00 0.00 C ATOM 158 CG GLU A 10 -1.787 -3.678 9.731 1.00 0.00 C ATOM 159 CD GLU A 10 -1.804 -3.984 11.216 1.00 0.00 C ATOM 160 OE1 GLU A 10 -1.246 -3.180 11.994 1.00 0.00 O ATOM 161 OE2 GLU A 10 -2.374 -5.025 11.602 1.00 0.00 O ATOM 0 H GLU A 10 0.470 -5.486 7.244 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.311 -3.334 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.485 -5.221 9.024 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.347 -3.816 9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.911 -2.605 9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.637 -4.166 9.253 1.00 0.00 H new ATOM 168 N ASP A 11 1.829 -2.494 7.826 1.00 0.00 N ATOM 169 CA ASP A 11 2.754 -1.361 7.872 1.00 0.00 C ATOM 170 C ASP A 11 2.474 -0.374 6.743 1.00 0.00 C ATOM 171 O ASP A 11 2.544 0.840 6.931 1.00 0.00 O ATOM 172 CB ASP A 11 4.199 -1.855 7.784 1.00 0.00 C ATOM 173 CG ASP A 11 5.201 -0.784 8.165 1.00 0.00 C ATOM 174 OD1 ASP A 11 5.132 -0.287 9.310 1.00 0.00 O ATOM 175 OD2 ASP A 11 6.055 -0.441 7.321 1.00 0.00 O ATOM 0 H ASP A 11 2.275 -3.406 7.928 1.00 0.00 H new ATOM 0 HA ASP A 11 2.606 -0.846 8.821 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.326 -2.717 8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.403 -2.194 6.768 1.00 0.00 H new ATOM 180 N LEU A 12 2.151 -0.909 5.571 1.00 0.00 N ATOM 181 CA LEU A 12 1.854 -0.089 4.406 1.00 0.00 C ATOM 182 C LEU A 12 0.689 0.849 4.692 1.00 0.00 C ATOM 183 O LEU A 12 0.832 2.068 4.642 1.00 0.00 O ATOM 184 CB LEU A 12 1.548 -0.987 3.190 1.00 0.00 C ATOM 185 CG LEU A 12 0.337 -0.588 2.325 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.632 -0.812 0.851 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.906 -1.366 2.738 1.00 0.00 C ATOM 0 H LEU A 12 2.088 -1.913 5.404 1.00 0.00 H new ATOM 0 HA LEU A 12 2.728 0.521 4.176 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.431 -1.008 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.390 -2.004 3.549 1.00 0.00 H new ATOM 0 HG LEU A 12 0.147 0.473 2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.236 -0.524 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.490 -0.208 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.854 -1.865 0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.747 -1.067 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.724 -2.434 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.137 -1.155 3.782 1.00 0.00 H new ATOM 199 N GLN A 13 -0.467 0.273 4.987 1.00 0.00 N ATOM 200 CA GLN A 13 -1.655 1.068 5.265 1.00 0.00 C ATOM 201 C GLN A 13 -1.367 2.116 6.336 1.00 0.00 C ATOM 202 O GLN A 13 -1.892 3.229 6.286 1.00 0.00 O ATOM 203 CB GLN A 13 -2.812 0.169 5.702 1.00 0.00 C ATOM 204 CG GLN A 13 -4.133 0.907 5.850 1.00 0.00 C ATOM 205 CD GLN A 13 -4.755 0.724 7.221 1.00 0.00 C ATOM 206 OE1 GLN A 13 -4.655 -0.345 7.823 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.404 1.769 7.722 1.00 0.00 N ATOM 0 H GLN A 13 -0.608 -0.736 5.040 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.940 1.583 4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.933 -0.633 4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.558 -0.299 6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.973 1.970 5.667 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.829 0.553 5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.463 2.637 7.189 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.844 1.704 8.640 1.00 0.00 H new ATOM 216 N GLU A 14 -0.517 1.758 7.292 1.00 0.00 N ATOM 217 CA GLU A 14 -0.144 2.675 8.360 1.00 0.00 C ATOM 218 C GLU A 14 0.866 3.686 7.844 1.00 0.00 C ATOM 219 O GLU A 14 0.914 4.825 8.309 1.00 0.00 O ATOM 220 CB GLU A 14 0.431 1.905 9.553 1.00 0.00 C ATOM 221 CG GLU A 14 -0.380 2.068 10.828 1.00 0.00 C ATOM 222 CD GLU A 14 -0.388 0.812 11.677 1.00 0.00 C ATOM 223 OE1 GLU A 14 -0.343 -0.295 11.102 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.439 0.936 12.919 1.00 0.00 O ATOM 0 H GLU A 14 -0.074 0.841 7.348 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.035 3.206 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.486 0.846 9.300 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.451 2.242 9.735 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.028 2.894 11.411 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.405 2.335 10.571 1.00 0.00 H new ATOM 231 N VAL A 15 1.662 3.268 6.866 1.00 0.00 N ATOM 232 CA VAL A 15 2.654 4.145 6.276 1.00 0.00 C ATOM 233 C VAL A 15 1.965 5.295 5.560 1.00 0.00 C ATOM 234 O VAL A 15 2.461 6.422 5.543 1.00 0.00 O ATOM 235 CB VAL A 15 3.592 3.377 5.311 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.095 3.381 3.864 1.00 0.00 C ATOM 237 CG2 VAL A 15 4.996 3.941 5.398 1.00 0.00 C ATOM 0 H VAL A 15 1.636 2.329 6.469 1.00 0.00 H new ATOM 0 HA VAL A 15 3.275 4.546 7.077 1.00 0.00 H new ATOM 0 HB VAL A 15 3.597 2.334 5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.794 2.827 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.113 2.910 3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.023 4.408 3.507 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.650 3.396 4.717 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.982 4.995 5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.367 3.838 6.418 1.00 0.00 H new ATOM 247 N LEU A 16 0.807 4.999 4.976 1.00 0.00 N ATOM 248 CA LEU A 16 0.038 6.006 4.268 1.00 0.00 C ATOM 249 C LEU A 16 -0.280 7.171 5.198 1.00 0.00 C ATOM 250 O LEU A 16 -0.271 8.329 4.781 1.00 0.00 O ATOM 251 CB LEU A 16 -1.252 5.401 3.711 1.00 0.00 C ATOM 252 CG LEU A 16 -1.098 4.630 2.396 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.399 5.482 1.351 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.333 3.338 2.620 1.00 0.00 C ATOM 0 H LEU A 16 0.385 4.070 4.982 1.00 0.00 H new ATOM 0 HA LEU A 16 0.632 6.376 3.433 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.672 4.730 4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.975 6.203 3.561 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.095 4.384 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.300 4.915 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.985 6.382 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.591 5.762 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.234 2.805 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.658 3.565 3.014 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.872 2.715 3.333 1.00 0.00 H new ATOM 266 N LYS A 17 -0.539 6.855 6.470 1.00 0.00 N ATOM 267 CA LYS A 17 -0.840 7.875 7.475 1.00 0.00 C ATOM 268 C LYS A 17 0.100 9.063 7.321 1.00 0.00 C ATOM 269 O LYS A 17 -0.326 10.217 7.335 1.00 0.00 O ATOM 270 CB LYS A 17 -0.718 7.288 8.883 1.00 0.00 C ATOM 271 CG LYS A 17 -1.160 8.244 9.980 1.00 0.00 C ATOM 272 CD LYS A 17 -0.179 8.253 11.143 1.00 0.00 C ATOM 273 CE LYS A 17 0.681 9.507 11.142 1.00 0.00 C ATOM 274 NZ LYS A 17 0.420 10.363 12.332 1.00 0.00 N ATOM 0 H LYS A 17 -0.546 5.900 6.827 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.864 8.216 7.325 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.316 6.379 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.318 7.000 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.251 9.251 9.572 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.148 7.955 10.339 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.728 8.188 12.083 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.461 7.372 11.086 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.734 9.225 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.487 10.079 10.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.027 11.207 12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.578 10.654 12.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.629 9.827 13.198 1.00 0.00 H new ATOM 288 N ASN A 18 1.382 8.763 7.146 1.00 0.00 N ATOM 289 CA ASN A 18 2.389 9.802 6.954 1.00 0.00 C ATOM 290 C ASN A 18 2.152 10.492 5.620 1.00 0.00 C ATOM 291 O ASN A 18 2.194 11.718 5.514 1.00 0.00 O ATOM 292 CB ASN A 18 3.794 9.196 6.971 1.00 0.00 C ATOM 293 CG ASN A 18 4.242 8.809 8.367 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.683 9.653 9.147 1.00 0.00 O ATOM 295 ND2 ASN A 18 4.133 7.525 8.689 1.00 0.00 N ATOM 0 H ASN A 18 1.749 7.811 7.133 1.00 0.00 H new ATOM 0 HA ASN A 18 2.309 10.525 7.766 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.814 8.315 6.329 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.500 9.912 6.552 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.420 7.205 9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.762 6.859 8.011 1.00 0.00 H new ATOM 302 N LEU A 19 1.894 9.676 4.608 1.00 0.00 N ATOM 303 CA LEU A 19 1.637 10.155 3.259 1.00 0.00 C ATOM 304 C LEU A 19 0.530 11.211 3.252 1.00 0.00 C ATOM 305 O LEU A 19 0.573 12.160 2.474 1.00 0.00 O ATOM 306 CB LEU A 19 1.279 8.951 2.369 1.00 0.00 C ATOM 307 CG LEU A 19 0.046 9.094 1.472 1.00 0.00 C ATOM 308 CD1 LEU A 19 0.208 8.262 0.210 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.206 8.671 2.217 1.00 0.00 C ATOM 0 H LEU A 19 1.857 8.661 4.700 1.00 0.00 H new ATOM 0 HA LEU A 19 2.531 10.638 2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.137 8.732 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.131 8.085 3.014 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.053 10.142 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.677 8.375 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.087 8.601 -0.339 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.331 7.213 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.072 8.779 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.112 7.630 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.335 9.300 3.098 1.00 0.00 H new ATOM 321 N HIS A 20 -0.459 11.039 4.122 1.00 0.00 N ATOM 322 CA HIS A 20 -1.578 11.974 4.215 1.00 0.00 C ATOM 323 C HIS A 20 -1.098 13.406 4.448 1.00 0.00 C ATOM 324 O HIS A 20 -1.752 14.364 4.032 1.00 0.00 O ATOM 325 CB HIS A 20 -2.512 11.570 5.360 1.00 0.00 C ATOM 326 CG HIS A 20 -3.454 10.453 5.036 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.799 10.650 4.816 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.250 9.119 4.922 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.382 9.488 4.584 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.464 8.543 4.641 1.00 0.00 N ATOM 0 H HIS A 20 -0.510 10.258 4.776 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.112 11.936 3.265 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -1.907 11.279 6.219 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.094 12.441 5.661 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.307 8.604 5.032 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.432 9.337 4.382 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.629 7.546 4.499 1.00 0.00 H new ATOM 339 N LYS A 21 0.021 13.548 5.146 1.00 0.00 N ATOM 340 CA LYS A 21 0.562 14.866 5.474 1.00 0.00 C ATOM 341 C LYS A 21 1.606 15.349 4.473 1.00 0.00 C ATOM 342 O LYS A 21 2.097 16.472 4.587 1.00 0.00 O ATOM 343 CB LYS A 21 1.177 14.828 6.869 1.00 0.00 C ATOM 344 CG LYS A 21 0.308 14.111 7.882 1.00 0.00 C ATOM 345 CD LYS A 21 -1.019 14.832 8.079 1.00 0.00 C ATOM 346 CE LYS A 21 -2.063 14.380 7.067 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.445 14.485 7.611 1.00 0.00 N ATOM 0 H LYS A 21 0.575 12.767 5.498 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.268 15.571 5.435 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.148 14.335 6.818 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.355 15.848 7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.124 13.090 7.549 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.834 14.045 8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.387 14.647 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.866 15.907 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.981 14.986 6.165 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.864 13.348 6.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.902 13.551 7.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.406 14.819 8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.993 15.158 7.038 1.00 0.00 H new ATOM 361 N ASN A 22 1.965 14.514 3.508 1.00 0.00 N ATOM 362 CA ASN A 22 2.972 14.901 2.530 1.00 0.00 C ATOM 363 C ASN A 22 2.501 14.699 1.092 1.00 0.00 C ATOM 364 O ASN A 22 3.123 15.209 0.162 1.00 0.00 O ATOM 365 CB ASN A 22 4.261 14.120 2.772 1.00 0.00 C ATOM 366 CG ASN A 22 4.999 14.600 4.007 1.00 0.00 C ATOM 367 OD1 ASN A 22 6.096 15.153 3.913 1.00 0.00 O ATOM 368 ND2 ASN A 22 4.401 14.390 5.173 1.00 0.00 N ATOM 0 H ASN A 22 1.581 13.578 3.382 1.00 0.00 H new ATOM 0 HA ASN A 22 3.154 15.968 2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.027 13.061 2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.911 14.216 1.902 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.850 14.691 6.038 1.00 0.00 H new ATOM 0 HD22 ASN A 22 3.492 13.928 5.204 1.00 0.00 H new ATOM 375 N TRP A 23 1.410 13.963 0.900 1.00 0.00 N ATOM 376 CA TRP A 23 0.903 13.726 -0.445 1.00 0.00 C ATOM 377 C TRP A 23 0.534 15.046 -1.120 1.00 0.00 C ATOM 378 O TRP A 23 0.779 15.230 -2.310 1.00 0.00 O ATOM 379 CB TRP A 23 -0.282 12.742 -0.411 1.00 0.00 C ATOM 380 CG TRP A 23 -1.622 13.355 -0.639 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.638 13.431 0.252 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.094 13.944 -1.841 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.714 14.065 -0.304 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.406 14.390 -1.604 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.524 14.146 -3.091 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.157 15.029 -2.587 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.261 14.772 -4.062 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.569 15.211 -3.812 1.00 0.00 C ATOM 0 H TRP A 23 0.868 13.527 1.646 1.00 0.00 H new ATOM 0 HA TRP A 23 1.690 13.265 -1.043 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.118 11.974 -1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.289 12.240 0.557 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.604 13.045 1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.597 14.264 0.166 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.516 13.815 -3.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.164 15.368 -2.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.826 14.930 -5.038 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.123 15.701 -4.599 1.00 0.00 H new ATOM 399 N HIS A 24 -0.034 15.966 -0.350 1.00 0.00 N ATOM 400 CA HIS A 24 -0.414 17.272 -0.878 1.00 0.00 C ATOM 401 C HIS A 24 -0.934 18.177 0.234 1.00 0.00 C ATOM 402 O HIS A 24 -0.513 19.327 0.358 1.00 0.00 O ATOM 403 CB HIS A 24 -1.473 17.120 -1.971 1.00 0.00 C ATOM 404 CG HIS A 24 -1.935 18.424 -2.545 1.00 0.00 C ATOM 405 ND1 HIS A 24 -1.448 18.941 -3.729 1.00 0.00 N ATOM 406 CD2 HIS A 24 -2.846 19.320 -2.093 1.00 0.00 C ATOM 407 CE1 HIS A 24 -2.039 20.096 -3.978 1.00 0.00 C ATOM 408 NE2 HIS A 24 -2.891 20.348 -3.002 1.00 0.00 N ATOM 0 H HIS A 24 -0.242 15.833 0.640 1.00 0.00 H new ATOM 0 HA HIS A 24 0.474 17.733 -1.310 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.069 16.503 -2.773 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.332 16.588 -1.561 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.428 19.240 -1.187 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.856 20.727 -4.835 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.487 21.173 -2.934 1.00 0.00 H new ATOM 417 N GLY A 25 -1.847 17.650 1.041 1.00 0.00 N ATOM 418 CA GLY A 25 -2.400 18.429 2.131 1.00 0.00 C ATOM 419 C GLY A 25 -3.870 18.153 2.363 1.00 0.00 C ATOM 420 O GLY A 25 -4.682 18.243 1.442 1.00 0.00 O ATOM 0 H GLY A 25 -2.213 16.701 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.846 18.212 3.044 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.263 19.489 1.919 1.00 0.00 H new ATOM 424 N GLY A 26 -4.211 17.818 3.601 1.00 0.00 N ATOM 425 CA GLY A 26 -5.591 17.534 3.939 1.00 0.00 C ATOM 426 C GLY A 26 -5.949 16.082 3.718 1.00 0.00 C ATOM 427 O GLY A 26 -6.214 15.667 2.590 1.00 0.00 O ATOM 0 H GLY A 26 -3.555 17.738 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.768 17.795 4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.247 18.163 3.337 1.00 0.00 H new ATOM 431 N LYS A 27 -5.964 15.306 4.798 1.00 0.00 N ATOM 432 CA LYS A 27 -6.299 13.890 4.715 1.00 0.00 C ATOM 433 C LYS A 27 -7.603 13.691 3.942 1.00 0.00 C ATOM 434 O LYS A 27 -7.824 12.640 3.343 1.00 0.00 O ATOM 435 CB LYS A 27 -6.402 13.284 6.121 1.00 0.00 C ATOM 436 CG LYS A 27 -7.351 12.099 6.225 1.00 0.00 C ATOM 437 CD LYS A 27 -7.328 11.486 7.616 1.00 0.00 C ATOM 438 CE LYS A 27 -5.940 10.987 7.983 1.00 0.00 C ATOM 439 NZ LYS A 27 -5.203 11.966 8.830 1.00 0.00 N ATOM 0 H LYS A 27 -5.748 15.634 5.739 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.504 13.375 4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.409 12.968 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.729 14.059 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.364 12.421 5.985 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.074 11.344 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.654 12.226 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.037 10.659 7.662 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.024 10.039 8.514 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.371 10.794 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.183 11.892 8.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.528 12.929 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.383 11.761 9.834 1.00 0.00 H new ATOM 453 N ASP A 28 -8.457 14.712 3.952 1.00 0.00 N ATOM 454 CA ASP A 28 -9.727 14.646 3.242 1.00 0.00 C ATOM 455 C ASP A 28 -9.500 14.316 1.771 1.00 0.00 C ATOM 456 O ASP A 28 -10.339 13.685 1.128 1.00 0.00 O ATOM 457 CB ASP A 28 -10.479 15.973 3.373 1.00 0.00 C ATOM 458 CG ASP A 28 -11.504 15.950 4.490 1.00 0.00 C ATOM 459 OD1 ASP A 28 -12.117 14.884 4.710 1.00 0.00 O ATOM 460 OD2 ASP A 28 -11.692 16.996 5.145 1.00 0.00 O ATOM 0 H ASP A 28 -8.291 15.591 4.443 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.330 13.855 3.688 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.765 16.776 3.556 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.978 16.199 2.431 1.00 0.00 H new ATOM 465 N ASN A 29 -8.352 14.739 1.246 1.00 0.00 N ATOM 466 CA ASN A 29 -8.008 14.481 -0.147 1.00 0.00 C ATOM 467 C ASN A 29 -7.322 13.125 -0.284 1.00 0.00 C ATOM 468 O ASN A 29 -7.515 12.415 -1.270 1.00 0.00 O ATOM 469 CB ASN A 29 -7.102 15.589 -0.682 1.00 0.00 C ATOM 470 CG ASN A 29 -7.510 16.051 -2.068 1.00 0.00 C ATOM 471 OD1 ASN A 29 -7.332 15.332 -3.052 1.00 0.00 O ATOM 472 ND2 ASN A 29 -8.062 17.255 -2.152 1.00 0.00 N ATOM 0 H ASN A 29 -7.646 15.261 1.765 1.00 0.00 H new ATOM 0 HA ASN A 29 -8.926 14.466 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -7.127 16.437 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -6.073 15.231 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.358 17.618 -3.058 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -8.191 17.817 -1.311 1.00 0.00 H new ATOM 479 N LEU A 30 -6.530 12.769 0.723 1.00 0.00 N ATOM 480 CA LEU A 30 -5.823 11.493 0.731 1.00 0.00 C ATOM 481 C LEU A 30 -6.811 10.354 0.965 1.00 0.00 C ATOM 482 O LEU A 30 -6.641 9.248 0.455 1.00 0.00 O ATOM 483 CB LEU A 30 -4.753 11.502 1.828 1.00 0.00 C ATOM 484 CG LEU A 30 -3.667 10.415 1.742 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.280 9.031 1.808 1.00 0.00 C ATOM 486 CD2 LEU A 30 -2.818 10.562 0.482 1.00 0.00 C ATOM 0 H LEU A 30 -6.362 13.348 1.546 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.338 11.343 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.262 12.475 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.253 11.408 2.792 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.011 10.546 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.492 8.281 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.817 8.915 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.973 8.900 0.977 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.063 9.776 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.456 10.479 -0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.328 11.536 0.485 1.00 0.00 H new ATOM 498 N HIS A 31 -7.850 10.636 1.744 1.00 0.00 N ATOM 499 CA HIS A 31 -8.872 9.642 2.051 1.00 0.00 C ATOM 500 C HIS A 31 -9.385 8.979 0.776 1.00 0.00 C ATOM 501 O HIS A 31 -9.687 7.788 0.765 1.00 0.00 O ATOM 502 CB HIS A 31 -10.034 10.294 2.806 1.00 0.00 C ATOM 503 CG HIS A 31 -10.226 9.767 4.196 1.00 0.00 C ATOM 504 ND1 HIS A 31 -9.231 9.130 4.909 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.311 9.789 5.008 1.00 0.00 C ATOM 506 CE1 HIS A 31 -9.694 8.784 6.096 1.00 0.00 C ATOM 507 NE2 HIS A 31 -10.954 9.172 6.181 1.00 0.00 N ATOM 0 H HIS A 31 -8.007 11.547 2.175 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.423 8.875 2.682 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.864 11.370 2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.953 10.142 2.240 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.277 10.213 4.775 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -9.137 8.271 6.866 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.563 9.035 6.988 1.00 0.00 H new ATOM 516 N ASP A 32 -9.483 9.761 -0.294 1.00 0.00 N ATOM 517 CA ASP A 32 -9.964 9.253 -1.574 1.00 0.00 C ATOM 518 C ASP A 32 -8.893 8.436 -2.291 1.00 0.00 C ATOM 519 O ASP A 32 -9.208 7.566 -3.103 1.00 0.00 O ATOM 520 CB ASP A 32 -10.426 10.409 -2.464 1.00 0.00 C ATOM 521 CG ASP A 32 -11.933 10.443 -2.631 1.00 0.00 C ATOM 522 OD1 ASP A 32 -12.632 10.763 -1.646 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.414 10.153 -3.746 1.00 0.00 O ATOM 0 H ASP A 32 -9.235 10.750 -0.300 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.809 8.595 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.089 11.352 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -9.956 10.320 -3.444 1.00 0.00 H new ATOM 528 N VAL A 33 -7.631 8.722 -1.997 1.00 0.00 N ATOM 529 CA VAL A 33 -6.528 8.012 -2.628 1.00 0.00 C ATOM 530 C VAL A 33 -6.136 6.773 -1.826 1.00 0.00 C ATOM 531 O VAL A 33 -6.018 5.683 -2.384 1.00 0.00 O ATOM 532 CB VAL A 33 -5.315 8.944 -2.834 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.494 9.104 -1.566 1.00 0.00 C ATOM 534 CG2 VAL A 33 -4.438 8.458 -3.974 1.00 0.00 C ATOM 0 H VAL A 33 -7.347 9.438 -1.328 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.867 7.679 -3.609 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.713 9.925 -3.094 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.652 9.768 -1.759 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.118 9.529 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.123 8.130 -1.248 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.592 9.134 -4.096 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.073 7.456 -3.750 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.019 8.435 -4.896 1.00 0.00 H new ATOM 544 N ASP A 34 -5.955 6.933 -0.516 1.00 0.00 N ATOM 545 CA ASP A 34 -5.600 5.801 0.331 1.00 0.00 C ATOM 546 C ASP A 34 -6.780 4.839 0.434 1.00 0.00 C ATOM 547 O ASP A 34 -6.593 3.647 0.679 1.00 0.00 O ATOM 548 CB ASP A 34 -5.146 6.268 1.721 1.00 0.00 C ATOM 549 CG ASP A 34 -5.228 5.174 2.772 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.728 4.060 2.509 1.00 0.00 O ATOM 551 OD2 ASP A 34 -5.791 5.433 3.856 1.00 0.00 O ATOM 0 H ASP A 34 -6.047 7.823 -0.026 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.760 5.277 -0.125 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.119 6.629 1.659 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.762 7.111 2.034 1.00 0.00 H new ATOM 556 N ASN A 35 -7.995 5.349 0.212 1.00 0.00 N ATOM 557 CA ASN A 35 -9.181 4.500 0.249 1.00 0.00 C ATOM 558 C ASN A 35 -8.976 3.332 -0.701 1.00 0.00 C ATOM 559 O ASN A 35 -9.380 2.203 -0.425 1.00 0.00 O ATOM 560 CB ASN A 35 -10.432 5.288 -0.146 1.00 0.00 C ATOM 561 CG ASN A 35 -11.300 5.634 1.048 1.00 0.00 C ATOM 562 OD1 ASN A 35 -10.797 6.006 2.108 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.612 5.509 0.884 1.00 0.00 N ATOM 0 H ASN A 35 -8.178 6.331 0.008 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.327 4.133 1.265 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.135 6.206 -0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.015 4.705 -0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.245 5.725 1.654 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.987 5.197 -0.012 1.00 0.00 H new ATOM 570 N HIS A 36 -8.308 3.622 -1.813 1.00 0.00 N ATOM 571 CA HIS A 36 -7.995 2.615 -2.812 1.00 0.00 C ATOM 572 C HIS A 36 -7.085 1.562 -2.197 1.00 0.00 C ATOM 573 O HIS A 36 -7.160 0.380 -2.527 1.00 0.00 O ATOM 574 CB HIS A 36 -7.311 3.273 -4.016 1.00 0.00 C ATOM 575 CG HIS A 36 -8.129 3.226 -5.269 1.00 0.00 C ATOM 576 ND1 HIS A 36 -7.648 2.736 -6.465 1.00 0.00 N ATOM 577 CD2 HIS A 36 -9.404 3.612 -5.509 1.00 0.00 C ATOM 578 CE1 HIS A 36 -8.592 2.824 -7.386 1.00 0.00 C ATOM 579 NE2 HIS A 36 -9.667 3.351 -6.831 1.00 0.00 N ATOM 0 H HIS A 36 -7.972 4.557 -2.043 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.914 2.138 -3.152 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.091 4.313 -3.775 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.357 2.778 -4.196 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.087 4.045 -4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.499 2.517 -8.417 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.550 3.535 -7.307 1.00 0.00 H new ATOM 588 N LEU A 37 -6.236 2.015 -1.285 1.00 0.00 N ATOM 589 CA LEU A 37 -5.309 1.142 -0.587 1.00 0.00 C ATOM 590 C LEU A 37 -6.049 0.312 0.454 1.00 0.00 C ATOM 591 O LEU A 37 -6.114 -0.912 0.361 1.00 0.00 O ATOM 592 CB LEU A 37 -4.232 1.983 0.099 1.00 0.00 C ATOM 593 CG LEU A 37 -2.942 1.251 0.481 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.130 -0.261 0.485 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.821 1.646 -0.466 1.00 0.00 C ATOM 0 H LEU A 37 -6.172 2.995 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.844 0.470 -1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.973 2.812 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.660 2.417 1.003 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.676 1.548 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.192 -0.744 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.902 -0.530 1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.430 -0.593 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.907 1.121 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.096 1.379 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.655 2.721 -0.404 1.00 0.00 H new ATOM 607 N GLN A 38 -6.604 0.999 1.447 1.00 0.00 N ATOM 608 CA GLN A 38 -7.348 0.346 2.520 1.00 0.00 C ATOM 609 C GLN A 38 -8.327 -0.690 1.969 1.00 0.00 C ATOM 610 O GLN A 38 -8.598 -1.700 2.617 1.00 0.00 O ATOM 611 CB GLN A 38 -8.106 1.387 3.347 1.00 0.00 C ATOM 612 CG GLN A 38 -8.154 1.066 4.832 1.00 0.00 C ATOM 613 CD GLN A 38 -9.104 1.972 5.593 1.00 0.00 C ATOM 614 OE1 GLN A 38 -9.997 1.501 6.296 1.00 0.00 O ATOM 615 NE2 GLN A 38 -8.914 3.279 5.453 1.00 0.00 N ATOM 0 H GLN A 38 -6.552 2.014 1.532 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.629 -0.170 3.157 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.636 2.361 3.209 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.125 1.468 2.968 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.461 0.029 4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.153 1.159 5.253 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.160 3.624 4.859 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.522 3.938 5.940 1.00 0.00 H new ATOM 624 N ASN A 39 -8.852 -0.443 0.771 1.00 0.00 N ATOM 625 CA ASN A 39 -9.790 -1.374 0.152 1.00 0.00 C ATOM 626 C ASN A 39 -9.051 -2.592 -0.386 1.00 0.00 C ATOM 627 O ASN A 39 -9.607 -3.689 -0.458 1.00 0.00 O ATOM 628 CB ASN A 39 -10.568 -0.688 -0.973 1.00 0.00 C ATOM 629 CG ASN A 39 -12.021 -0.448 -0.609 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.878 -1.303 -0.831 1.00 0.00 O ATOM 631 ND2 ASN A 39 -12.305 0.721 -0.046 1.00 0.00 N ATOM 0 H ASN A 39 -8.646 0.386 0.214 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.499 -1.702 0.912 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.094 0.264 -1.211 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.518 -1.302 -1.872 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.265 0.939 0.221 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.563 1.401 0.120 1.00 0.00 H new ATOM 638 N VAL A 40 -7.792 -2.392 -0.755 1.00 0.00 N ATOM 639 CA VAL A 40 -6.967 -3.470 -1.277 1.00 0.00 C ATOM 640 C VAL A 40 -6.555 -4.422 -0.159 1.00 0.00 C ATOM 641 O VAL A 40 -6.647 -5.639 -0.305 1.00 0.00 O ATOM 642 CB VAL A 40 -5.709 -2.914 -1.976 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.728 -4.029 -2.315 1.00 0.00 C ATOM 644 CG2 VAL A 40 -6.101 -2.149 -3.228 1.00 0.00 C ATOM 0 H VAL A 40 -7.320 -1.489 -0.701 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.561 -4.017 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.211 -2.231 -1.287 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.852 -3.606 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.421 -4.535 -1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.208 -4.745 -2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.205 -1.761 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.625 -2.816 -3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.755 -1.320 -2.958 1.00 0.00 H new ATOM 654 N ILE A 41 -6.101 -3.860 0.960 1.00 0.00 N ATOM 655 CA ILE A 41 -5.671 -4.662 2.102 1.00 0.00 C ATOM 656 C ILE A 41 -6.669 -5.779 2.406 1.00 0.00 C ATOM 657 O ILE A 41 -6.284 -6.874 2.815 1.00 0.00 O ATOM 658 CB ILE A 41 -5.464 -3.787 3.360 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.508 -4.480 4.333 1.00 0.00 C ATOM 660 CG2 ILE A 41 -6.790 -3.475 4.043 1.00 0.00 C ATOM 661 CD1 ILE A 41 -3.050 -4.184 4.057 1.00 0.00 C ATOM 0 H ILE A 41 -6.022 -2.853 1.099 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.716 -5.113 1.832 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.023 -2.841 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.748 -4.169 5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.668 -5.557 4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.609 -2.859 4.924 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.438 -2.938 3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.272 -4.405 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.429 -4.707 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.794 -4.520 3.052 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.875 -3.111 4.136 1.00 0.00 H new ATOM 673 N GLU A 42 -7.950 -5.497 2.195 1.00 0.00 N ATOM 674 CA GLU A 42 -8.997 -6.482 2.438 1.00 0.00 C ATOM 675 C GLU A 42 -9.022 -7.518 1.334 1.00 0.00 C ATOM 676 O GLU A 42 -9.349 -8.678 1.566 1.00 0.00 O ATOM 677 CB GLU A 42 -10.360 -5.799 2.558 1.00 0.00 C ATOM 678 CG GLU A 42 -10.331 -4.525 3.387 1.00 0.00 C ATOM 679 CD GLU A 42 -11.400 -4.501 4.462 1.00 0.00 C ATOM 680 OE1 GLU A 42 -11.449 -5.452 5.270 1.00 0.00 O ATOM 681 OE2 GLU A 42 -12.186 -3.532 4.496 1.00 0.00 O ATOM 0 H GLU A 42 -8.288 -4.596 1.857 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.779 -6.986 3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.729 -5.565 1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.069 -6.497 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.351 -4.422 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.463 -3.666 2.730 1.00 0.00 H new ATOM 688 N ASP A 43 -8.653 -7.102 0.136 1.00 0.00 N ATOM 689 CA ASP A 43 -8.613 -8.015 -0.990 1.00 0.00 C ATOM 690 C ASP A 43 -7.304 -8.792 -0.980 1.00 0.00 C ATOM 691 O ASP A 43 -7.229 -9.900 -1.501 1.00 0.00 O ATOM 692 CB ASP A 43 -8.772 -7.255 -2.307 1.00 0.00 C ATOM 693 CG ASP A 43 -10.200 -7.271 -2.815 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.550 -8.202 -3.570 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.968 -6.353 -2.457 1.00 0.00 O ATOM 0 H ASP A 43 -8.378 -6.144 -0.081 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.442 -8.717 -0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.450 -6.223 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.117 -7.695 -3.059 1.00 0.00 H new ATOM 700 N ILE A 44 -6.275 -8.204 -0.376 1.00 0.00 N ATOM 701 CA ILE A 44 -4.973 -8.848 -0.292 1.00 0.00 C ATOM 702 C ILE A 44 -4.869 -9.751 0.933 1.00 0.00 C ATOM 703 O ILE A 44 -4.412 -10.888 0.838 1.00 0.00 O ATOM 704 CB ILE A 44 -3.827 -7.818 -0.255 1.00 0.00 C ATOM 705 CG1 ILE A 44 -3.995 -6.791 -1.375 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.481 -8.514 -0.380 1.00 0.00 C ATOM 707 CD1 ILE A 44 -4.070 -7.407 -2.754 1.00 0.00 C ATOM 0 H ILE A 44 -6.320 -7.284 0.061 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.876 -9.455 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.863 -7.299 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.902 -6.214 -1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.160 -6.091 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.683 -7.772 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.355 -9.213 0.446 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.438 -9.057 -1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.189 -6.620 -3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.153 -7.961 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.922 -8.085 -2.804 1.00 0.00 H new ATOM 719 N HIS A 45 -5.278 -9.230 2.086 1.00 0.00 N ATOM 720 CA HIS A 45 -5.207 -9.988 3.332 1.00 0.00 C ATOM 721 C HIS A 45 -6.234 -11.124 3.368 1.00 0.00 C ATOM 722 O HIS A 45 -6.022 -12.131 4.042 1.00 0.00 O ATOM 723 CB HIS A 45 -5.387 -9.051 4.537 1.00 0.00 C ATOM 724 CG HIS A 45 -6.789 -8.972 5.053 1.00 0.00 C ATOM 725 ND1 HIS A 45 -7.102 -8.973 6.396 1.00 0.00 N ATOM 726 CD2 HIS A 45 -7.963 -8.887 4.394 1.00 0.00 C ATOM 727 CE1 HIS A 45 -8.413 -8.893 6.539 1.00 0.00 C ATOM 728 NE2 HIS A 45 -8.959 -8.839 5.337 1.00 0.00 N ATOM 0 H HIS A 45 -5.661 -8.290 2.184 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.219 -10.445 3.386 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.734 -9.386 5.343 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.059 -8.050 4.256 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -8.095 -8.861 3.322 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -8.947 -8.875 7.478 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.958 -8.772 5.142 1.00 0.00 H new ATOM 737 N ASP A 46 -7.340 -10.968 2.643 1.00 0.00 N ATOM 738 CA ASP A 46 -8.368 -12.002 2.615 1.00 0.00 C ATOM 739 C ASP A 46 -8.051 -13.031 1.545 1.00 0.00 C ATOM 740 O ASP A 46 -8.224 -14.232 1.748 1.00 0.00 O ATOM 741 CB ASP A 46 -9.749 -11.396 2.357 1.00 0.00 C ATOM 742 CG ASP A 46 -10.267 -10.607 3.543 1.00 0.00 C ATOM 743 OD1 ASP A 46 -10.085 -11.070 4.689 1.00 0.00 O ATOM 744 OD2 ASP A 46 -10.856 -9.527 3.328 1.00 0.00 O ATOM 0 H ASP A 46 -7.545 -10.146 2.075 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.381 -12.489 3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -9.699 -10.744 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.453 -12.193 2.119 1.00 0.00 H new ATOM 749 N PHE A 47 -7.585 -12.547 0.402 1.00 0.00 N ATOM 750 CA PHE A 47 -7.242 -13.434 -0.709 1.00 0.00 C ATOM 751 C PHE A 47 -5.961 -14.215 -0.418 1.00 0.00 C ATOM 752 O PHE A 47 -5.870 -15.403 -0.721 1.00 0.00 O ATOM 753 CB PHE A 47 -7.083 -12.644 -2.008 1.00 0.00 C ATOM 754 CG PHE A 47 -8.390 -12.224 -2.620 1.00 0.00 C ATOM 755 CD1 PHE A 47 -9.341 -11.552 -1.868 1.00 0.00 C ATOM 756 CD2 PHE A 47 -8.668 -12.502 -3.949 1.00 0.00 C ATOM 757 CE1 PHE A 47 -10.543 -11.166 -2.429 1.00 0.00 C ATOM 758 CE2 PHE A 47 -9.868 -12.118 -4.516 1.00 0.00 C ATOM 759 CZ PHE A 47 -10.808 -11.450 -3.755 1.00 0.00 C ATOM 0 H PHE A 47 -7.436 -11.555 0.217 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.062 -14.143 -0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.481 -11.757 -1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.533 -13.250 -2.727 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.140 -11.327 -0.831 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.938 -13.025 -4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.275 -10.643 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.071 -12.340 -5.553 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.748 -11.151 -4.195 1.00 0.00 H new ATOM 769 N MET A 48 -4.974 -13.541 0.170 1.00 0.00 N ATOM 770 CA MET A 48 -3.702 -14.183 0.497 1.00 0.00 C ATOM 771 C MET A 48 -3.922 -15.449 1.320 1.00 0.00 C ATOM 772 O MET A 48 -3.107 -16.372 1.288 1.00 0.00 O ATOM 773 CB MET A 48 -2.794 -13.214 1.260 1.00 0.00 C ATOM 774 CG MET A 48 -3.296 -12.872 2.654 1.00 0.00 C ATOM 775 SD MET A 48 -2.068 -11.990 3.636 1.00 0.00 S ATOM 776 CE MET A 48 -1.749 -10.573 2.587 1.00 0.00 C ATOM 0 H MET A 48 -5.030 -12.556 0.429 1.00 0.00 H new ATOM 0 HA MET A 48 -3.217 -14.462 -0.439 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.798 -13.650 1.339 1.00 0.00 H new ATOM 0 HB3 MET A 48 -2.694 -12.294 0.684 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.196 -12.263 2.573 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.578 -13.790 3.170 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.968 -9.958 3.034 1.00 0.00 H new ATOM 0 HE2 MET A 48 -1.424 -10.914 1.604 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.660 -9.984 2.484 1.00 0.00 H new ATOM 786 N GLN A 49 -5.028 -15.486 2.057 1.00 0.00 N ATOM 787 CA GLN A 49 -5.355 -16.639 2.887 1.00 0.00 C ATOM 788 C GLN A 49 -5.962 -17.771 2.057 1.00 0.00 C ATOM 789 O GLN A 49 -6.275 -18.837 2.587 1.00 0.00 O ATOM 790 CB GLN A 49 -6.323 -16.233 4.000 1.00 0.00 C ATOM 791 CG GLN A 49 -6.021 -16.886 5.339 1.00 0.00 C ATOM 792 CD GLN A 49 -6.671 -16.162 6.501 1.00 0.00 C ATOM 793 OE1 GLN A 49 -6.163 -15.148 6.978 1.00 0.00 O ATOM 794 NE2 GLN A 49 -7.803 -16.681 6.963 1.00 0.00 N ATOM 0 H GLN A 49 -5.712 -14.731 2.096 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.428 -17.003 3.330 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.293 -15.150 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.338 -16.493 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.366 -17.920 5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.942 -16.913 5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.189 -17.524 6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.286 -16.237 7.744 1.00 0.00 H new ATOM 803 N GLY A 50 -6.125 -17.539 0.757 1.00 0.00 N ATOM 804 CA GLY A 50 -6.692 -18.555 -0.112 1.00 0.00 C ATOM 805 C GLY A 50 -7.969 -18.101 -0.795 1.00 0.00 C ATOM 806 O GLY A 50 -8.744 -18.925 -1.283 1.00 0.00 O ATOM 0 H GLY A 50 -5.875 -16.667 0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.958 -18.829 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.897 -19.452 0.472 1.00 0.00 H new ATOM 810 N GLY A 51 -8.194 -16.791 -0.833 1.00 0.00 N ATOM 811 CA GLY A 51 -9.387 -16.263 -1.468 1.00 0.00 C ATOM 812 C GLY A 51 -9.139 -15.835 -2.901 1.00 0.00 C ATOM 813 O GLY A 51 -9.811 -14.941 -3.415 1.00 0.00 O ATOM 0 H GLY A 51 -7.572 -16.087 -0.436 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.171 -17.020 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.753 -15.411 -0.895 1.00 0.00 H new ATOM 817 N GLY A 52 -8.170 -16.475 -3.549 1.00 0.00 N ATOM 818 CA GLY A 52 -7.850 -16.142 -4.925 1.00 0.00 C ATOM 819 C GLY A 52 -6.661 -15.208 -5.033 1.00 0.00 C ATOM 820 O GLY A 52 -6.649 -14.302 -5.865 1.00 0.00 O ATOM 0 H GLY A 52 -7.601 -17.219 -3.145 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.640 -17.058 -5.478 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.717 -15.677 -5.394 1.00 0.00 H new ATOM 824 N SER A 53 -5.660 -15.430 -4.188 1.00 0.00 N ATOM 825 CA SER A 53 -4.460 -14.601 -4.189 1.00 0.00 C ATOM 826 C SER A 53 -3.720 -14.704 -5.519 1.00 0.00 C ATOM 827 O SER A 53 -2.996 -13.789 -5.909 1.00 0.00 O ATOM 828 CB SER A 53 -3.533 -15.009 -3.041 1.00 0.00 C ATOM 829 OG SER A 53 -2.747 -16.135 -3.394 1.00 0.00 O ATOM 0 H SER A 53 -5.656 -16.177 -3.494 1.00 0.00 H new ATOM 0 HA SER A 53 -4.768 -13.565 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.882 -14.174 -2.781 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.125 -15.239 -2.155 1.00 0.00 H new ATOM 0 HG SER A 53 -2.283 -16.472 -2.599 1.00 0.00 H new ATOM 835 N GLY A 54 -3.904 -15.823 -6.213 1.00 0.00 N ATOM 836 CA GLY A 54 -3.245 -16.020 -7.491 1.00 0.00 C ATOM 837 C GLY A 54 -3.971 -15.333 -8.631 1.00 0.00 C ATOM 838 O GLY A 54 -4.573 -15.991 -9.479 1.00 0.00 O ATOM 0 H GLY A 54 -4.498 -16.596 -5.913 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.225 -15.640 -7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.176 -17.088 -7.700 1.00 0.00 H new ATOM 842 N GLY A 55 -3.912 -14.005 -8.654 1.00 0.00 N ATOM 843 CA GLY A 55 -4.572 -13.251 -9.705 1.00 0.00 C ATOM 844 C GLY A 55 -5.026 -11.878 -9.247 1.00 0.00 C ATOM 845 O GLY A 55 -5.252 -10.988 -10.064 1.00 0.00 O ATOM 0 H GLY A 55 -3.419 -13.438 -7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.891 -13.141 -10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.435 -13.813 -10.063 1.00 0.00 H new ATOM 849 N LYS A 56 -5.168 -11.708 -7.936 1.00 0.00 N ATOM 850 CA LYS A 56 -5.603 -10.434 -7.372 1.00 0.00 C ATOM 851 C LYS A 56 -4.424 -9.514 -7.101 1.00 0.00 C ATOM 852 O LYS A 56 -4.465 -8.333 -7.429 1.00 0.00 O ATOM 853 CB LYS A 56 -6.391 -10.665 -6.078 1.00 0.00 C ATOM 854 CG LYS A 56 -5.625 -11.453 -5.023 1.00 0.00 C ATOM 855 CD LYS A 56 -5.085 -10.548 -3.927 1.00 0.00 C ATOM 856 CE LYS A 56 -3.803 -11.105 -3.325 1.00 0.00 C ATOM 857 NZ LYS A 56 -4.058 -11.884 -2.081 1.00 0.00 N ATOM 0 H LYS A 56 -4.988 -12.436 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.249 -9.952 -8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.677 -9.699 -5.660 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.313 -11.195 -6.315 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.280 -12.205 -4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.799 -11.986 -5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.895 -9.555 -4.334 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.836 -10.434 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.308 -11.744 -4.056 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.121 -10.284 -3.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.153 -12.114 -1.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.641 -11.319 -1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.559 -12.764 -2.319 1.00 0.00 H new ATOM 871 N LEU A 57 -3.378 -10.055 -6.494 1.00 0.00 N ATOM 872 CA LEU A 57 -2.200 -9.266 -6.171 1.00 0.00 C ATOM 873 C LEU A 57 -1.512 -8.713 -7.417 1.00 0.00 C ATOM 874 O LEU A 57 -0.611 -7.893 -7.304 1.00 0.00 O ATOM 875 CB LEU A 57 -1.214 -10.095 -5.356 1.00 0.00 C ATOM 876 CG LEU A 57 -0.108 -9.293 -4.672 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.649 -8.583 -3.440 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.055 -10.200 -4.301 1.00 0.00 C ATOM 0 H LEU A 57 -3.321 -11.035 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.538 -8.415 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.767 -10.645 -4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.754 -10.834 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 57 0.255 -8.539 -5.370 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.152 -8.017 -2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.449 -7.903 -3.734 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.038 -9.320 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.834 -9.613 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.708 -10.977 -3.620 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.458 -10.662 -5.202 1.00 0.00 H new ATOM 890 N GLN A 58 -1.925 -9.151 -8.602 1.00 0.00 N ATOM 891 CA GLN A 58 -1.312 -8.654 -9.829 1.00 0.00 C ATOM 892 C GLN A 58 -1.986 -7.364 -10.288 1.00 0.00 C ATOM 893 O GLN A 58 -1.320 -6.362 -10.548 1.00 0.00 O ATOM 894 CB GLN A 58 -1.354 -9.716 -10.935 1.00 0.00 C ATOM 895 CG GLN A 58 -2.722 -9.890 -11.575 1.00 0.00 C ATOM 896 CD GLN A 58 -2.769 -11.057 -12.543 1.00 0.00 C ATOM 897 OE1 GLN A 58 -2.632 -12.214 -12.147 1.00 0.00 O ATOM 898 NE2 GLN A 58 -2.961 -10.757 -13.822 1.00 0.00 N ATOM 0 H GLN A 58 -2.668 -9.837 -8.739 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.266 -8.433 -9.616 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.634 -9.449 -11.708 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.035 -10.672 -10.519 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.468 -10.040 -10.794 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.992 -8.975 -12.102 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.070 -9.784 -14.107 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.000 -11.500 -14.520 1.00 0.00 H new ATOM 907 N GLU A 59 -3.310 -7.389 -10.374 1.00 0.00 N ATOM 908 CA GLU A 59 -4.066 -6.213 -10.782 1.00 0.00 C ATOM 909 C GLU A 59 -4.387 -5.345 -9.572 1.00 0.00 C ATOM 910 O GLU A 59 -4.535 -4.128 -9.687 1.00 0.00 O ATOM 911 CB GLU A 59 -5.355 -6.624 -11.496 1.00 0.00 C ATOM 912 CG GLU A 59 -5.217 -6.698 -13.008 1.00 0.00 C ATOM 913 CD GLU A 59 -4.840 -5.365 -13.625 1.00 0.00 C ATOM 914 OE1 GLU A 59 -5.371 -4.330 -13.170 1.00 0.00 O ATOM 915 OE2 GLU A 59 -4.015 -5.357 -14.562 1.00 0.00 O ATOM 0 H GLU A 59 -3.881 -8.209 -10.167 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.456 -5.635 -11.476 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.674 -7.596 -11.121 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.142 -5.912 -11.246 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.460 -7.440 -13.264 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.158 -7.040 -13.439 1.00 0.00 H new ATOM 922 N MET A 60 -4.493 -5.984 -8.411 1.00 0.00 N ATOM 923 CA MET A 60 -4.796 -5.277 -7.177 1.00 0.00 C ATOM 924 C MET A 60 -3.560 -4.574 -6.632 1.00 0.00 C ATOM 925 O MET A 60 -3.667 -3.505 -6.030 1.00 0.00 O ATOM 926 CB MET A 60 -5.349 -6.244 -6.128 1.00 0.00 C ATOM 927 CG MET A 60 -6.009 -5.549 -4.950 1.00 0.00 C ATOM 928 SD MET A 60 -7.787 -5.337 -5.174 1.00 0.00 S ATOM 929 CE MET A 60 -8.293 -7.024 -5.496 1.00 0.00 C ATOM 0 H MET A 60 -4.373 -6.991 -8.302 1.00 0.00 H new ATOM 0 HA MET A 60 -5.552 -4.524 -7.400 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.074 -6.905 -6.602 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.537 -6.872 -5.761 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.827 -6.127 -4.044 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.546 -4.573 -4.803 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.345 -7.144 -5.238 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.150 -7.251 -6.552 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.692 -7.705 -4.894 1.00 0.00 H new ATOM 939 N MET A 61 -2.381 -5.166 -6.840 1.00 0.00 N ATOM 940 CA MET A 61 -1.149 -4.547 -6.346 1.00 0.00 C ATOM 941 C MET A 61 -1.016 -3.124 -6.875 1.00 0.00 C ATOM 942 O MET A 61 -0.581 -2.221 -6.161 1.00 0.00 O ATOM 943 CB MET A 61 0.087 -5.353 -6.746 1.00 0.00 C ATOM 944 CG MET A 61 0.212 -5.574 -8.243 1.00 0.00 C ATOM 945 SD MET A 61 1.659 -6.556 -8.681 1.00 0.00 S ATOM 946 CE MET A 61 2.434 -5.493 -9.898 1.00 0.00 C ATOM 0 H MET A 61 -2.254 -6.050 -7.334 1.00 0.00 H new ATOM 0 HA MET A 61 -1.212 -4.528 -5.258 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.978 -4.837 -6.388 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.056 -6.321 -6.246 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.685 -6.073 -8.609 1.00 0.00 H new ATOM 0 HG3 MET A 61 0.267 -4.608 -8.746 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.346 -5.964 -10.265 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.748 -5.332 -10.730 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.680 -4.535 -9.440 1.00 0.00 H new ATOM 956 N LYS A 62 -1.397 -2.927 -8.133 1.00 0.00 N ATOM 957 CA LYS A 62 -1.321 -1.608 -8.747 1.00 0.00 C ATOM 958 C LYS A 62 -2.284 -0.635 -8.069 1.00 0.00 C ATOM 959 O LYS A 62 -2.179 0.578 -8.245 1.00 0.00 O ATOM 960 CB LYS A 62 -1.636 -1.696 -10.240 1.00 0.00 C ATOM 961 CG LYS A 62 -0.812 -0.742 -11.092 1.00 0.00 C ATOM 962 CD LYS A 62 -0.506 -1.333 -12.459 1.00 0.00 C ATOM 963 CE LYS A 62 0.989 -1.360 -12.734 1.00 0.00 C ATOM 964 NZ LYS A 62 1.551 0.011 -12.887 1.00 0.00 N ATOM 0 H LYS A 62 -1.759 -3.660 -8.743 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.305 -1.235 -8.619 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.462 -2.717 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.694 -1.485 -10.393 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.352 0.197 -11.214 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.121 -0.509 -10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.906 -2.346 -12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.008 -0.748 -13.230 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.499 -1.872 -11.918 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.181 -1.934 -13.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.572 -0.051 -13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.083 0.491 -13.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.391 0.551 -12.013 1.00 0.00 H new ATOM 978 N GLU A 63 -3.228 -1.174 -7.300 1.00 0.00 N ATOM 979 CA GLU A 63 -4.213 -0.351 -6.606 1.00 0.00 C ATOM 980 C GLU A 63 -3.636 0.271 -5.335 1.00 0.00 C ATOM 981 O GLU A 63 -4.105 1.315 -4.884 1.00 0.00 O ATOM 982 CB GLU A 63 -5.448 -1.186 -6.262 1.00 0.00 C ATOM 983 CG GLU A 63 -6.601 -0.367 -5.704 1.00 0.00 C ATOM 984 CD GLU A 63 -7.845 -1.201 -5.464 1.00 0.00 C ATOM 985 OE1 GLU A 63 -7.942 -2.303 -6.043 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.722 -0.750 -4.698 1.00 0.00 O ATOM 0 H GLU A 63 -3.331 -2.177 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.496 0.460 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.784 -1.708 -7.158 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.170 -1.948 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.293 0.097 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.837 0.441 -6.397 1.00 0.00 H new ATOM 993 N PHE A 64 -2.618 -0.366 -4.758 1.00 0.00 N ATOM 994 CA PHE A 64 -1.998 0.150 -3.543 1.00 0.00 C ATOM 995 C PHE A 64 -0.901 1.151 -3.888 1.00 0.00 C ATOM 996 O PHE A 64 -0.705 2.142 -3.184 1.00 0.00 O ATOM 997 CB PHE A 64 -1.452 -1.005 -2.681 1.00 0.00 C ATOM 998 CG PHE A 64 -0.176 -1.624 -3.185 1.00 0.00 C ATOM 999 CD1 PHE A 64 1.014 -0.913 -3.189 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.172 -2.929 -3.646 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.181 -1.492 -3.648 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.991 -3.513 -4.106 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.169 -2.794 -4.108 1.00 0.00 C ATOM 0 H PHE A 64 -2.210 -1.232 -5.110 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.756 0.672 -2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.285 -0.636 -1.669 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.214 -1.782 -2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.029 0.105 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.090 -3.497 -3.646 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.102 -0.927 -3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.979 -4.532 -4.464 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.080 -3.249 -4.469 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.199 0.892 -4.985 1.00 0.00 N ATOM 1014 CA GLN A 65 0.868 1.775 -5.437 1.00 0.00 C ATOM 1015 C GLN A 65 0.287 3.045 -6.055 1.00 0.00 C ATOM 1016 O GLN A 65 0.889 4.116 -5.977 1.00 0.00 O ATOM 1017 CB GLN A 65 1.760 1.055 -6.452 1.00 0.00 C ATOM 1018 CG GLN A 65 3.241 1.124 -6.116 1.00 0.00 C ATOM 1019 CD GLN A 65 3.993 -0.123 -6.539 1.00 0.00 C ATOM 1020 OE1 GLN A 65 4.117 -1.077 -5.773 1.00 0.00 O ATOM 1021 NE2 GLN A 65 4.499 -0.120 -7.767 1.00 0.00 N ATOM 0 H GLN A 65 -0.350 0.076 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 65 1.472 2.054 -4.574 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.458 0.009 -6.512 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.599 1.490 -7.438 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.681 1.993 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.360 1.269 -5.042 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.372 0.694 -8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.015 -0.931 -8.108 1.00 0.00 H new ATOM 1030 N GLN A 66 -0.891 2.918 -6.665 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.555 4.059 -7.290 1.00 0.00 C ATOM 1032 C GLN A 66 -1.788 5.166 -6.269 1.00 0.00 C ATOM 1033 O GLN A 66 -1.723 6.351 -6.595 1.00 0.00 O ATOM 1034 CB GLN A 66 -2.885 3.630 -7.911 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.427 4.621 -8.928 1.00 0.00 C ATOM 1036 CD GLN A 66 -4.782 4.213 -9.474 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -5.716 5.014 -9.511 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -4.896 2.961 -9.901 1.00 0.00 N ATOM 0 H GLN A 66 -1.403 2.039 -6.739 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.907 4.441 -8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.756 2.661 -8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.621 3.496 -7.118 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.507 5.604 -8.465 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.720 4.714 -9.752 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -4.096 2.331 -9.852 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.784 2.630 -10.278 1.00 0.00 H new ATOM 1047 N VAL A 67 -2.048 4.770 -5.027 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.275 5.723 -3.949 1.00 0.00 C ATOM 1049 C VAL A 67 -1.066 6.639 -3.797 1.00 0.00 C ATOM 1050 O VAL A 67 -1.201 7.861 -3.723 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.550 4.986 -2.618 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.640 5.957 -1.446 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.825 4.163 -2.727 1.00 0.00 C ATOM 0 H VAL A 67 -2.107 3.792 -4.743 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.149 6.324 -4.199 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.711 4.318 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.834 5.402 -0.528 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.700 6.500 -1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.451 6.664 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.008 3.649 -1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.665 4.821 -2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.717 3.429 -3.525 1.00 0.00 H new ATOM 1063 N LEU A 68 0.115 6.037 -3.780 1.00 0.00 N ATOM 1064 CA LEU A 68 1.356 6.790 -3.669 1.00 0.00 C ATOM 1065 C LEU A 68 1.559 7.663 -4.909 1.00 0.00 C ATOM 1066 O LEU A 68 2.378 8.577 -4.904 1.00 0.00 O ATOM 1067 CB LEU A 68 2.526 5.833 -3.486 1.00 0.00 C ATOM 1068 CG LEU A 68 2.913 5.592 -2.027 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.174 4.384 -1.463 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.419 5.412 -1.904 1.00 0.00 C ATOM 0 H LEU A 68 0.240 5.027 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 68 1.301 7.443 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.275 4.878 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.391 6.227 -4.020 1.00 0.00 H new ATOM 0 HG LEU A 68 2.621 6.465 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.465 4.232 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.099 4.557 -1.517 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.428 3.498 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.681 5.241 -0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.733 4.556 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.923 6.309 -2.262 1.00 0.00 H new ATOM 1082 N ASP A 69 0.793 7.383 -5.968 1.00 0.00 N ATOM 1083 CA ASP A 69 0.880 8.156 -7.203 1.00 0.00 C ATOM 1084 C ASP A 69 0.398 9.581 -6.958 1.00 0.00 C ATOM 1085 O ASP A 69 1.166 10.535 -7.080 1.00 0.00 O ATOM 1086 CB ASP A 69 0.047 7.502 -8.307 1.00 0.00 C ATOM 1087 CG ASP A 69 0.624 7.751 -9.686 1.00 0.00 C ATOM 1088 OD1 ASP A 69 0.818 8.931 -10.045 1.00 0.00 O ATOM 1089 OD2 ASP A 69 0.882 6.764 -10.409 1.00 0.00 O ATOM 0 H ASP A 69 0.108 6.628 -5.991 1.00 0.00 H new ATOM 0 HA ASP A 69 1.921 8.181 -7.526 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.011 6.428 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.972 7.887 -8.267 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.873 9.720 -6.576 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.440 11.034 -6.275 1.00 0.00 C ATOM 1096 C GLU A 70 -0.531 11.762 -5.299 1.00 0.00 C ATOM 1097 O GLU A 70 -0.425 12.988 -5.303 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.827 10.880 -5.640 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.729 12.089 -5.825 1.00 0.00 C ATOM 1100 CD GLU A 70 -3.809 12.548 -7.267 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -3.616 11.706 -8.170 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -4.068 13.748 -7.495 1.00 0.00 O ATOM 0 H GLU A 70 -1.525 8.943 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.529 11.600 -7.202 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.316 10.005 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.708 10.688 -4.574 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.731 11.847 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.361 12.909 -5.208 1.00 0.00 H new ATOM 1109 N LEU A 71 0.099 10.965 -4.456 1.00 0.00 N ATOM 1110 CA LEU A 71 0.998 11.442 -3.425 1.00 0.00 C ATOM 1111 C LEU A 71 2.344 11.896 -3.995 1.00 0.00 C ATOM 1112 O LEU A 71 2.660 13.084 -3.984 1.00 0.00 O ATOM 1113 CB LEU A 71 1.176 10.304 -2.425 1.00 0.00 C ATOM 1114 CG LEU A 71 2.388 10.382 -1.503 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.971 10.846 -0.123 1.00 0.00 C ATOM 1116 CD2 LEU A 71 3.049 9.023 -1.418 1.00 0.00 C ATOM 0 H LEU A 71 -0.002 9.950 -4.470 1.00 0.00 H new ATOM 0 HA LEU A 71 0.574 12.322 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.281 10.253 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.232 9.368 -2.982 1.00 0.00 H new ATOM 0 HG LEU A 71 3.098 11.102 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.847 10.897 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.514 11.833 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.251 10.142 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.915 9.080 -0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.339 8.297 -1.022 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.370 8.712 -2.412 1.00 0.00 H new ATOM 1128 N ASN A 72 3.136 10.942 -4.474 1.00 0.00 N ATOM 1129 CA ASN A 72 4.454 11.242 -5.030 1.00 0.00 C ATOM 1130 C ASN A 72 4.392 12.378 -6.048 1.00 0.00 C ATOM 1131 O ASN A 72 5.378 13.082 -6.263 1.00 0.00 O ATOM 1132 CB ASN A 72 5.053 9.991 -5.680 1.00 0.00 C ATOM 1133 CG ASN A 72 6.456 9.697 -5.187 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.227 10.611 -4.896 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.794 8.417 -5.089 1.00 0.00 N ATOM 0 H ASN A 72 2.889 9.952 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 72 5.092 11.564 -4.207 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.411 9.135 -5.472 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.071 10.121 -6.762 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.725 8.159 -4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.123 7.692 -5.341 1.00 0.00 H new ATOM 1142 N ASN A 73 3.234 12.549 -6.674 1.00 0.00 N ATOM 1143 CA ASN A 73 3.058 13.599 -7.671 1.00 0.00 C ATOM 1144 C ASN A 73 2.675 14.931 -7.023 1.00 0.00 C ATOM 1145 O ASN A 73 2.369 15.898 -7.720 1.00 0.00 O ATOM 1146 CB ASN A 73 1.989 13.188 -8.686 1.00 0.00 C ATOM 1147 CG ASN A 73 2.443 13.398 -10.117 1.00 0.00 C ATOM 1148 OD1 ASN A 73 2.491 14.527 -10.607 1.00 0.00 O ATOM 1149 ND2 ASN A 73 2.780 12.308 -10.797 1.00 0.00 N ATOM 0 H ASN A 73 2.406 11.977 -6.510 1.00 0.00 H new ATOM 0 HA ASN A 73 4.011 13.735 -8.182 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.735 12.138 -8.538 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.081 13.764 -8.507 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.094 12.387 -11.764 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.725 11.392 -10.352 1.00 0.00 H new ATOM 1156 N HIS A 74 2.685 14.982 -5.691 1.00 0.00 N ATOM 1157 CA HIS A 74 2.330 16.207 -4.981 1.00 0.00 C ATOM 1158 C HIS A 74 3.013 16.305 -3.626 1.00 0.00 C ATOM 1159 O HIS A 74 2.461 16.894 -2.700 1.00 0.00 O ATOM 1160 CB HIS A 74 0.812 16.296 -4.810 1.00 0.00 C ATOM 1161 CG HIS A 74 0.095 16.748 -6.044 1.00 0.00 C ATOM 1162 ND1 HIS A 74 0.114 18.053 -6.492 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.666 16.060 -6.930 1.00 0.00 C ATOM 1164 CE1 HIS A 74 -0.604 18.148 -7.596 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -1.087 16.953 -7.883 1.00 0.00 N ATOM 0 H HIS A 74 2.933 14.197 -5.088 1.00 0.00 H new ATOM 0 HA HIS A 74 2.680 17.044 -5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.430 15.318 -4.516 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.586 16.985 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.898 15.006 -6.893 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -0.768 19.050 -8.167 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.678 16.730 -8.684 1.00 0.00 H new ATOM 1174 N LEU A 75 4.229 15.766 -3.518 1.00 0.00 N ATOM 1175 CA LEU A 75 4.980 15.855 -2.268 1.00 0.00 C ATOM 1176 C LEU A 75 5.080 17.319 -1.866 1.00 0.00 C ATOM 1177 O LEU A 75 6.056 18.000 -2.181 1.00 0.00 O ATOM 1178 CB LEU A 75 6.382 15.277 -2.436 1.00 0.00 C ATOM 1179 CG LEU A 75 6.671 14.012 -1.630 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.131 14.130 -0.213 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.093 12.792 -2.327 1.00 0.00 C ATOM 0 H LEU A 75 4.708 15.270 -4.270 1.00 0.00 H new ATOM 0 HA LEU A 75 4.464 15.282 -1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.542 15.059 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.107 16.040 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 75 7.752 13.892 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.351 13.215 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.602 14.976 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.052 14.283 -0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.309 11.900 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.014 12.908 -2.428 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.541 12.691 -3.315 1.00 0.00 H new ATOM 1193 N GLN A 76 4.040 17.803 -1.218 1.00 0.00 N ATOM 1194 CA GLN A 76 3.971 19.198 -0.820 1.00 0.00 C ATOM 1195 C GLN A 76 4.694 19.451 0.500 1.00 0.00 C ATOM 1196 O GLN A 76 5.268 20.520 0.709 1.00 0.00 O ATOM 1197 CB GLN A 76 2.512 19.641 -0.702 1.00 0.00 C ATOM 1198 CG GLN A 76 2.298 21.117 -0.993 1.00 0.00 C ATOM 1199 CD GLN A 76 1.124 21.698 -0.231 1.00 0.00 C ATOM 1200 OE1 GLN A 76 -0.021 21.611 -0.672 1.00 0.00 O ATOM 1201 NE2 GLN A 76 1.405 22.296 0.922 1.00 0.00 N ATOM 0 H GLN A 76 3.226 17.249 -0.954 1.00 0.00 H new ATOM 0 HA GLN A 76 4.471 19.782 -1.592 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.906 19.052 -1.390 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.155 19.422 0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.202 21.669 -0.736 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.135 21.253 -2.062 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.370 22.345 1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.656 22.706 1.480 1.00 0.00 H new ATOM 1210 N GLY A 77 4.647 18.471 1.394 1.00 0.00 N ATOM 1211 CA GLY A 77 5.287 18.620 2.689 1.00 0.00 C ATOM 1212 C GLY A 77 6.766 18.289 2.662 1.00 0.00 C ATOM 1213 O GLY A 77 7.608 19.164 2.860 1.00 0.00 O ATOM 0 H GLY A 77 4.178 17.577 1.247 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.156 19.645 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.789 17.973 3.411 1.00 0.00 H new ATOM 1217 N GLY A 78 7.081 17.023 2.420 1.00 0.00 N ATOM 1218 CA GLY A 78 8.464 16.598 2.378 1.00 0.00 C ATOM 1219 C GLY A 78 8.603 15.152 1.954 1.00 0.00 C ATOM 1220 O GLY A 78 8.125 14.248 2.639 1.00 0.00 O ATOM 0 H GLY A 78 6.400 16.282 2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.017 17.233 1.686 1.00 0.00 H new ATOM 0 HA3 GLY A 78 8.914 16.732 3.362 1.00 0.00 H new ATOM 1224 N LYS A 79 9.255 14.936 0.818 1.00 0.00 N ATOM 1225 CA LYS A 79 9.458 13.593 0.283 1.00 0.00 C ATOM 1226 C LYS A 79 9.887 12.611 1.370 1.00 0.00 C ATOM 1227 O LYS A 79 9.588 11.422 1.287 1.00 0.00 O ATOM 1228 CB LYS A 79 10.499 13.618 -0.838 1.00 0.00 C ATOM 1229 CG LYS A 79 11.685 14.525 -0.549 1.00 0.00 C ATOM 1230 CD LYS A 79 13.005 13.806 -0.770 1.00 0.00 C ATOM 1231 CE LYS A 79 13.274 12.792 0.330 1.00 0.00 C ATOM 1232 NZ LYS A 79 14.725 12.480 0.458 1.00 0.00 N ATOM 0 H LYS A 79 9.655 15.679 0.245 1.00 0.00 H new ATOM 0 HA LYS A 79 8.503 13.253 -0.119 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.861 12.604 -1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.019 13.945 -1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.637 15.404 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.631 14.879 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.989 13.302 -1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.816 14.533 -0.803 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.901 13.178 1.279 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.723 11.875 0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.865 11.785 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 15.076 12.087 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.249 13.350 0.683 1.00 0.00 H new ATOM 1246 N HIS A 80 10.582 13.113 2.387 1.00 0.00 N ATOM 1247 CA HIS A 80 11.043 12.268 3.488 1.00 0.00 C ATOM 1248 C HIS A 80 9.932 11.340 3.968 1.00 0.00 C ATOM 1249 O HIS A 80 10.192 10.222 4.414 1.00 0.00 O ATOM 1250 CB HIS A 80 11.548 13.129 4.647 1.00 0.00 C ATOM 1251 CG HIS A 80 12.501 12.414 5.553 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.274 11.140 6.030 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.691 12.801 6.072 1.00 0.00 C ATOM 1254 CE1 HIS A 80 13.283 10.775 6.803 1.00 0.00 C ATOM 1255 NE2 HIS A 80 14.155 11.764 6.843 1.00 0.00 N ATOM 0 H HIS A 80 10.838 14.097 2.473 1.00 0.00 H new ATOM 0 HA HIS A 80 11.865 11.655 3.120 1.00 0.00 H new ATOM 0 HB2 HIS A 80 12.038 14.015 4.244 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.695 13.475 5.231 1.00 0.00 H new ATOM 0 HD1 HIS A 80 11.456 10.569 5.819 1.00 0.00 H new ATOM 0 HD2 HIS A 80 14.183 13.749 5.910 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.377 9.828 7.314 1.00 0.00 H new ATOM 1264 N THR A 81 8.693 11.802 3.851 1.00 0.00 N ATOM 1265 CA THR A 81 7.542 11.006 4.247 1.00 0.00 C ATOM 1266 C THR A 81 7.370 9.854 3.276 1.00 0.00 C ATOM 1267 O THR A 81 7.687 8.708 3.591 1.00 0.00 O ATOM 1268 CB THR A 81 6.283 11.882 4.274 1.00 0.00 C ATOM 1269 OG1 THR A 81 6.164 12.544 5.520 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.986 11.126 4.032 1.00 0.00 C ATOM 0 H THR A 81 8.461 12.725 3.484 1.00 0.00 H new ATOM 0 HA THR A 81 7.702 10.605 5.248 1.00 0.00 H new ATOM 0 HB THR A 81 6.419 12.584 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.410 12.167 6.020 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.147 11.821 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 81 5.020 10.649 3.052 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.860 10.365 4.802 1.00 0.00 H new ATOM 1278 N VAL A 82 6.881 10.175 2.084 1.00 0.00 N ATOM 1279 CA VAL A 82 6.673 9.177 1.049 1.00 0.00 C ATOM 1280 C VAL A 82 7.907 8.310 0.872 1.00 0.00 C ATOM 1281 O VAL A 82 7.795 7.104 0.712 1.00 0.00 O ATOM 1282 CB VAL A 82 6.329 9.820 -0.303 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.939 8.751 -1.312 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.221 10.845 -0.138 1.00 0.00 C ATOM 0 H VAL A 82 6.621 11.123 1.812 1.00 0.00 H new ATOM 0 HA VAL A 82 5.833 8.564 1.375 1.00 0.00 H new ATOM 0 HB VAL A 82 7.212 10.337 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.698 9.221 -2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.770 8.059 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.069 8.205 -0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.990 11.290 -1.106 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.330 10.357 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.546 11.624 0.552 1.00 0.00 H new ATOM 1294 N HIS A 83 9.091 8.921 0.913 1.00 0.00 N ATOM 1295 CA HIS A 83 10.327 8.163 0.762 1.00 0.00 C ATOM 1296 C HIS A 83 10.305 6.953 1.688 1.00 0.00 C ATOM 1297 O HIS A 83 10.702 5.854 1.306 1.00 0.00 O ATOM 1298 CB HIS A 83 11.546 9.038 1.063 1.00 0.00 C ATOM 1299 CG HIS A 83 12.484 9.174 -0.096 1.00 0.00 C ATOM 1300 ND1 HIS A 83 13.728 8.577 -0.133 1.00 0.00 N ATOM 1301 CD2 HIS A 83 12.354 9.841 -1.267 1.00 0.00 C ATOM 1302 CE1 HIS A 83 14.322 8.872 -1.275 1.00 0.00 C ATOM 1303 NE2 HIS A 83 13.510 9.637 -1.981 1.00 0.00 N ATOM 0 H HIS A 83 9.217 9.924 1.048 1.00 0.00 H new ATOM 0 HA HIS A 83 10.402 7.824 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 83 11.207 10.029 1.364 1.00 0.00 H new ATOM 0 HB3 HIS A 83 12.086 8.615 1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.501 10.424 -1.581 1.00 0.00 H new ATOM 0 HE1 HIS A 83 15.305 8.543 -1.580 1.00 0.00 H new ATOM 0 HE2 HIS A 83 13.709 10.016 -2.907 1.00 0.00 H new ATOM 1312 N HIS A 84 9.816 7.171 2.903 1.00 0.00 N ATOM 1313 CA HIS A 84 9.712 6.102 3.883 1.00 0.00 C ATOM 1314 C HIS A 84 8.531 5.190 3.563 1.00 0.00 C ATOM 1315 O HIS A 84 8.537 4.011 3.911 1.00 0.00 O ATOM 1316 CB HIS A 84 9.565 6.681 5.292 1.00 0.00 C ATOM 1317 CG HIS A 84 10.814 6.583 6.113 1.00 0.00 C ATOM 1318 ND1 HIS A 84 11.768 7.580 6.155 1.00 0.00 N ATOM 1319 CD2 HIS A 84 11.265 5.600 6.928 1.00 0.00 C ATOM 1320 CE1 HIS A 84 12.750 7.213 6.959 1.00 0.00 C ATOM 1321 NE2 HIS A 84 12.468 6.016 7.442 1.00 0.00 N ATOM 0 H HIS A 84 9.486 8.079 3.231 1.00 0.00 H new ATOM 0 HA HIS A 84 10.627 5.511 3.841 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.271 7.728 5.217 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.759 6.159 5.808 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.770 4.663 7.135 1.00 0.00 H new ATOM 0 HE1 HIS A 84 13.633 7.793 7.183 1.00 0.00 H new ATOM 0 HE2 HIS A 84 13.050 5.487 8.091 1.00 0.00 H new ATOM 1330 N ILE A 85 7.515 5.747 2.903 1.00 0.00 N ATOM 1331 CA ILE A 85 6.325 4.979 2.547 1.00 0.00 C ATOM 1332 C ILE A 85 6.522 4.238 1.225 1.00 0.00 C ATOM 1333 O ILE A 85 6.048 3.119 1.064 1.00 0.00 O ATOM 1334 CB ILE A 85 5.032 5.860 2.509 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.569 6.179 1.087 1.00 0.00 C ATOM 1336 CG2 ILE A 85 5.219 7.142 3.292 1.00 0.00 C ATOM 1337 CD1 ILE A 85 3.087 6.491 1.005 1.00 0.00 C ATOM 0 H ILE A 85 7.493 6.723 2.606 1.00 0.00 H new ATOM 0 HA ILE A 85 6.181 4.241 3.336 1.00 0.00 H new ATOM 0 HB ILE A 85 4.249 5.264 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.136 7.029 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.793 5.332 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.304 7.733 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.446 6.904 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 85 6.041 7.714 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.818 6.709 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.514 5.632 1.356 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.862 7.356 1.629 1.00 0.00 H new ATOM 1349 N GLU A 86 7.231 4.860 0.289 1.00 0.00 N ATOM 1350 CA GLU A 86 7.496 4.247 -1.009 1.00 0.00 C ATOM 1351 C GLU A 86 8.500 3.114 -0.860 1.00 0.00 C ATOM 1352 O GLU A 86 8.311 2.034 -1.415 1.00 0.00 O ATOM 1353 CB GLU A 86 8.016 5.290 -2.002 1.00 0.00 C ATOM 1354 CG GLU A 86 9.104 6.180 -1.435 1.00 0.00 C ATOM 1355 CD GLU A 86 10.372 6.160 -2.269 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.609 5.149 -2.962 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.124 7.156 -2.231 1.00 0.00 O ATOM 0 H GLU A 86 7.633 5.790 0.405 1.00 0.00 H new ATOM 0 HA GLU A 86 6.562 3.840 -1.396 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.400 4.779 -2.885 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.184 5.913 -2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.733 7.203 -1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.337 5.860 -0.419 1.00 0.00 H new ATOM 1364 N GLN A 87 9.553 3.346 -0.080 1.00 0.00 N ATOM 1365 CA GLN A 87 10.550 2.312 0.155 1.00 0.00 C ATOM 1366 C GLN A 87 9.883 1.137 0.857 1.00 0.00 C ATOM 1367 O GLN A 87 10.281 -0.016 0.695 1.00 0.00 O ATOM 1368 CB GLN A 87 11.702 2.856 1.004 1.00 0.00 C ATOM 1369 CG GLN A 87 12.938 3.214 0.196 1.00 0.00 C ATOM 1370 CD GLN A 87 12.628 4.129 -0.972 1.00 0.00 C ATOM 1371 OE1 GLN A 87 12.551 5.348 -0.817 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.447 3.544 -2.150 1.00 0.00 N ATOM 0 H GLN A 87 9.735 4.231 0.394 1.00 0.00 H new ATOM 0 HA GLN A 87 10.964 1.984 -0.799 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.360 3.741 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.972 2.113 1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.666 3.697 0.848 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.401 2.300 -0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.520 2.530 -2.232 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.235 4.109 -2.973 1.00 0.00 H new ATOM 1381 N ASN A 88 8.848 1.456 1.628 1.00 0.00 N ATOM 1382 CA ASN A 88 8.084 0.460 2.356 1.00 0.00 C ATOM 1383 C ASN A 88 7.033 -0.176 1.442 1.00 0.00 C ATOM 1384 O ASN A 88 7.010 -1.392 1.259 1.00 0.00 O ATOM 1385 CB ASN A 88 7.424 1.116 3.582 1.00 0.00 C ATOM 1386 CG ASN A 88 5.964 0.743 3.748 1.00 0.00 C ATOM 1387 OD1 ASN A 88 5.629 -0.226 4.430 1.00 0.00 O ATOM 1388 ND2 ASN A 88 5.090 1.520 3.123 1.00 0.00 N ATOM 0 H ASN A 88 8.519 2.412 1.763 1.00 0.00 H new ATOM 0 HA ASN A 88 8.752 -0.331 2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 88 7.970 0.825 4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 88 7.508 2.199 3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 88 4.091 1.326 3.196 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.416 2.312 2.569 1.00 0.00 H new ATOM 1395 N ILE A 89 6.165 0.661 0.874 1.00 0.00 N ATOM 1396 CA ILE A 89 5.108 0.186 -0.012 1.00 0.00 C ATOM 1397 C ILE A 89 5.690 -0.497 -1.233 1.00 0.00 C ATOM 1398 O ILE A 89 5.277 -1.598 -1.595 1.00 0.00 O ATOM 1399 CB ILE A 89 4.157 1.332 -0.449 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.780 1.117 0.165 1.00 0.00 C ATOM 1401 CG2 ILE A 89 4.040 1.431 -1.970 1.00 0.00 C ATOM 1402 CD1 ILE A 89 2.229 2.340 0.874 1.00 0.00 C ATOM 0 H ILE A 89 6.175 1.671 1.013 1.00 0.00 H new ATOM 0 HA ILE A 89 4.523 -0.538 0.555 1.00 0.00 H new ATOM 0 HB ILE A 89 4.581 2.271 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.085 0.819 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.833 0.291 0.874 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.365 2.246 -2.231 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.023 1.623 -2.399 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.648 0.494 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 89 1.246 2.110 1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.902 2.626 1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.142 3.163 0.165 1.00 0.00 H new ATOM 1414 N LYS A 90 6.655 0.148 -1.866 1.00 0.00 N ATOM 1415 CA LYS A 90 7.275 -0.433 -3.037 1.00 0.00 C ATOM 1416 C LYS A 90 7.942 -1.748 -2.659 1.00 0.00 C ATOM 1417 O LYS A 90 8.045 -2.663 -3.473 1.00 0.00 O ATOM 1418 CB LYS A 90 8.288 0.527 -3.661 1.00 0.00 C ATOM 1419 CG LYS A 90 8.805 0.071 -5.015 1.00 0.00 C ATOM 1420 CD LYS A 90 7.772 0.293 -6.109 1.00 0.00 C ATOM 1421 CE LYS A 90 8.415 0.303 -7.487 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.694 -1.075 -7.979 1.00 0.00 N ATOM 0 H LYS A 90 7.020 1.060 -1.592 1.00 0.00 H new ATOM 0 HA LYS A 90 6.503 -0.623 -3.783 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.827 1.509 -3.770 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.131 0.645 -2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.718 0.615 -5.259 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.066 -0.986 -4.969 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.018 -0.493 -6.064 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.258 1.239 -5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.758 0.814 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.345 0.871 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.132 -1.025 -8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.341 -1.554 -7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.804 -1.609 -8.039 1.00 0.00 H new ATOM 1436 N GLU A 91 8.366 -1.840 -1.400 1.00 0.00 N ATOM 1437 CA GLU A 91 8.989 -3.050 -0.886 1.00 0.00 C ATOM 1438 C GLU A 91 7.927 -3.974 -0.286 1.00 0.00 C ATOM 1439 O GLU A 91 8.232 -5.079 0.161 1.00 0.00 O ATOM 1440 CB GLU A 91 10.043 -2.706 0.168 1.00 0.00 C ATOM 1441 CG GLU A 91 10.837 -3.910 0.648 1.00 0.00 C ATOM 1442 CD GLU A 91 12.312 -3.607 0.820 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.826 -2.731 0.092 1.00 0.00 O ATOM 1444 OE2 GLU A 91 12.954 -4.244 1.681 1.00 0.00 O ATOM 0 H GLU A 91 8.287 -1.086 -0.718 1.00 0.00 H new ATOM 0 HA GLU A 91 9.481 -3.564 -1.712 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.731 -1.968 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.552 -2.240 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 91 10.428 -4.255 1.598 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.719 -4.726 -0.065 1.00 0.00 H new ATOM 1451 N ILE A 92 6.674 -3.511 -0.293 1.00 0.00 N ATOM 1452 CA ILE A 92 5.564 -4.284 0.230 1.00 0.00 C ATOM 1453 C ILE A 92 5.156 -5.329 -0.794 1.00 0.00 C ATOM 1454 O ILE A 92 4.927 -6.490 -0.462 1.00 0.00 O ATOM 1455 CB ILE A 92 4.367 -3.372 0.603 1.00 0.00 C ATOM 1456 CG1 ILE A 92 4.204 -3.326 2.122 1.00 0.00 C ATOM 1457 CG2 ILE A 92 3.072 -3.830 -0.053 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.456 -2.888 2.846 1.00 0.00 C ATOM 0 H ILE A 92 6.410 -2.597 -0.660 1.00 0.00 H new ATOM 0 HA ILE A 92 5.881 -4.783 1.145 1.00 0.00 H new ATOM 0 HB ILE A 92 4.583 -2.372 0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.391 -2.645 2.372 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.913 -4.314 2.479 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.261 -3.162 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.187 -3.812 -1.137 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.839 -4.844 0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.270 -2.877 3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 92 6.266 -3.583 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.736 -1.887 2.516 1.00 0.00 H new ATOM 1470 N PHE A 93 5.100 -4.904 -2.052 1.00 0.00 N ATOM 1471 CA PHE A 93 4.752 -5.797 -3.144 1.00 0.00 C ATOM 1472 C PHE A 93 5.681 -7.013 -3.147 1.00 0.00 C ATOM 1473 O PHE A 93 5.317 -8.082 -3.628 1.00 0.00 O ATOM 1474 CB PHE A 93 4.855 -5.054 -4.483 1.00 0.00 C ATOM 1475 CG PHE A 93 6.155 -5.299 -5.190 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.351 -5.060 -4.539 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.185 -5.796 -6.480 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.553 -5.311 -5.157 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.388 -6.046 -7.110 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.577 -5.805 -6.447 1.00 0.00 C ATOM 0 H PHE A 93 5.292 -3.944 -2.338 1.00 0.00 H new ATOM 0 HA PHE A 93 3.726 -6.138 -3.006 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.033 -5.363 -5.128 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.738 -3.984 -4.309 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.341 -4.671 -3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.259 -5.991 -7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.479 -5.122 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.400 -6.429 -8.120 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.520 -6.002 -6.935 1.00 0.00 H new ATOM 1490 N HIS A 94 6.890 -6.829 -2.614 1.00 0.00 N ATOM 1491 CA HIS A 94 7.874 -7.904 -2.564 1.00 0.00 C ATOM 1492 C HIS A 94 7.354 -9.037 -1.705 1.00 0.00 C ATOM 1493 O HIS A 94 7.069 -10.125 -2.200 1.00 0.00 O ATOM 1494 CB HIS A 94 9.207 -7.388 -2.015 1.00 0.00 C ATOM 1495 CG HIS A 94 10.324 -7.437 -3.011 1.00 0.00 C ATOM 1496 ND1 HIS A 94 11.058 -6.328 -3.374 1.00 0.00 N ATOM 1497 CD2 HIS A 94 10.831 -8.472 -3.722 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.969 -6.677 -4.266 1.00 0.00 C ATOM 1499 NE2 HIS A 94 11.852 -7.972 -4.493 1.00 0.00 N ATOM 0 H HIS A 94 7.208 -5.947 -2.213 1.00 0.00 H new ATOM 0 HA HIS A 94 8.042 -8.274 -3.576 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.078 -6.360 -1.677 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.484 -7.978 -1.142 1.00 0.00 H new ATOM 0 HD2 HIS A 94 10.496 -9.498 -3.689 1.00 0.00 H new ATOM 0 HE1 HIS A 94 12.686 -6.016 -4.730 1.00 0.00 H new ATOM 0 HE2 HIS A 94 12.427 -8.514 -5.137 1.00 0.00 H new ATOM 1508 N HIS A 95 7.195 -8.766 -0.416 1.00 0.00 N ATOM 1509 CA HIS A 95 6.670 -9.760 0.503 1.00 0.00 C ATOM 1510 C HIS A 95 5.267 -10.186 0.071 1.00 0.00 C ATOM 1511 O HIS A 95 4.730 -11.175 0.568 1.00 0.00 O ATOM 1512 CB HIS A 95 6.641 -9.207 1.929 1.00 0.00 C ATOM 1513 CG HIS A 95 7.826 -9.611 2.751 1.00 0.00 C ATOM 1514 ND1 HIS A 95 9.084 -9.800 2.218 1.00 0.00 N ATOM 1515 CD2 HIS A 95 7.940 -9.862 4.077 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.918 -10.151 3.180 1.00 0.00 C ATOM 1517 NE2 HIS A 95 9.250 -10.196 4.316 1.00 0.00 N ATOM 0 H HIS A 95 7.422 -7.869 0.013 1.00 0.00 H new ATOM 0 HA HIS A 95 7.324 -10.632 0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.592 -8.119 1.887 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.732 -9.548 2.424 1.00 0.00 H new ATOM 0 HD2 HIS A 95 7.148 -9.809 4.810 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.969 -10.365 3.057 1.00 0.00 H new ATOM 0 HE2 HIS A 95 9.643 -10.440 5.225 1.00 0.00 H new ATOM 1526 N LEU A 96 4.680 -9.434 -0.867 1.00 0.00 N ATOM 1527 CA LEU A 96 3.347 -9.744 -1.365 1.00 0.00 C ATOM 1528 C LEU A 96 3.428 -10.692 -2.551 1.00 0.00 C ATOM 1529 O LEU A 96 2.994 -11.842 -2.472 1.00 0.00 O ATOM 1530 CB LEU A 96 2.626 -8.459 -1.768 1.00 0.00 C ATOM 1531 CG LEU A 96 2.157 -7.598 -0.602 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.488 -6.333 -1.115 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.208 -8.370 0.304 1.00 0.00 C ATOM 0 H LEU A 96 5.109 -8.612 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 96 2.784 -10.232 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.292 -7.866 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.762 -8.720 -2.379 1.00 0.00 H new ATOM 0 HG LEU A 96 3.032 -7.320 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.158 -5.728 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.198 -5.763 -1.714 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.627 -6.600 -1.728 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.890 -7.730 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.336 -8.686 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.718 -9.247 0.702 1.00 0.00 H new ATOM 1545 N GLU A 97 4.003 -10.208 -3.644 1.00 0.00 N ATOM 1546 CA GLU A 97 4.161 -11.017 -4.842 1.00 0.00 C ATOM 1547 C GLU A 97 5.068 -12.208 -4.556 1.00 0.00 C ATOM 1548 O GLU A 97 5.093 -13.177 -5.314 1.00 0.00 O ATOM 1549 CB GLU A 97 4.743 -10.177 -5.981 1.00 0.00 C ATOM 1550 CG GLU A 97 3.707 -9.334 -6.708 1.00 0.00 C ATOM 1551 CD GLU A 97 2.820 -10.160 -7.619 1.00 0.00 C ATOM 1552 OE1 GLU A 97 2.188 -11.116 -7.125 1.00 0.00 O ATOM 1553 OE2 GLU A 97 2.759 -9.850 -8.828 1.00 0.00 O ATOM 0 H GLU A 97 4.367 -9.259 -3.724 1.00 0.00 H new ATOM 0 HA GLU A 97 3.180 -11.383 -5.144 1.00 0.00 H new ATOM 0 HB2 GLU A 97 5.515 -9.521 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.228 -10.839 -6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.088 -8.815 -5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 97 4.214 -8.569 -7.296 1.00 0.00 H new ATOM 1560 N GLU A 98 5.806 -12.135 -3.447 1.00 0.00 N ATOM 1561 CA GLU A 98 6.701 -13.221 -3.064 1.00 0.00 C ATOM 1562 C GLU A 98 5.962 -14.260 -2.223 1.00 0.00 C ATOM 1563 O GLU A 98 6.479 -15.348 -1.968 1.00 0.00 O ATOM 1564 CB GLU A 98 7.907 -12.679 -2.292 1.00 0.00 C ATOM 1565 CG GLU A 98 9.040 -13.681 -2.154 1.00 0.00 C ATOM 1566 CD GLU A 98 10.264 -13.088 -1.482 1.00 0.00 C ATOM 1567 OE1 GLU A 98 10.455 -11.858 -1.577 1.00 0.00 O ATOM 1568 OE2 GLU A 98 11.029 -13.854 -0.861 1.00 0.00 O ATOM 0 H GLU A 98 5.800 -11.342 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 98 7.057 -13.702 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.280 -11.788 -2.797 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.583 -12.370 -1.298 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.693 -14.539 -1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.316 -14.051 -3.142 1.00 0.00 H new ATOM 1575 N LEU A 99 4.748 -13.918 -1.799 1.00 0.00 N ATOM 1576 CA LEU A 99 3.933 -14.818 -0.994 1.00 0.00 C ATOM 1577 C LEU A 99 3.225 -15.837 -1.878 1.00 0.00 C ATOM 1578 O LEU A 99 3.379 -17.046 -1.699 1.00 0.00 O ATOM 1579 CB LEU A 99 2.900 -14.020 -0.198 1.00 0.00 C ATOM 1580 CG LEU A 99 1.939 -14.862 0.643 1.00 0.00 C ATOM 1581 CD1 LEU A 99 2.658 -15.441 1.850 1.00 0.00 C ATOM 1582 CD2 LEU A 99 0.741 -14.029 1.077 1.00 0.00 C ATOM 0 H LEU A 99 4.308 -13.021 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 99 4.588 -15.349 -0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.426 -13.330 0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.317 -13.415 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 99 1.576 -15.689 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.960 -16.037 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.481 -16.072 1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.049 -14.630 2.464 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.068 -14.644 1.674 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.083 -13.182 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.213 -13.664 0.196 1.00 0.00 H new ATOM 1594 N VAL A 100 2.448 -15.336 -2.832 1.00 0.00 N ATOM 1595 CA VAL A 100 1.711 -16.193 -3.749 1.00 0.00 C ATOM 1596 C VAL A 100 2.656 -17.045 -4.591 1.00 0.00 C ATOM 1597 O VAL A 100 2.322 -18.166 -4.975 1.00 0.00 O ATOM 1598 CB VAL A 100 0.808 -15.360 -4.679 1.00 0.00 C ATOM 1599 CG1 VAL A 100 -0.044 -16.266 -5.558 1.00 0.00 C ATOM 1600 CG2 VAL A 100 -0.068 -14.421 -3.864 1.00 0.00 C ATOM 0 H VAL A 100 2.313 -14.337 -2.989 1.00 0.00 H new ATOM 0 HA VAL A 100 1.089 -16.851 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 100 1.444 -14.760 -5.330 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.674 -15.657 -6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.604 -16.895 -6.168 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.673 -16.896 -4.929 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.700 -13.839 -4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.695 -15.003 -3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.562 -13.747 -3.284 1.00 0.00 H new ATOM 1610 N HIS A 101 3.839 -16.507 -4.873 1.00 0.00 N ATOM 1611 CA HIS A 101 4.831 -17.222 -5.667 1.00 0.00 C ATOM 1612 C HIS A 101 5.395 -18.410 -4.893 1.00 0.00 C ATOM 1613 O HIS A 101 5.603 -19.486 -5.451 1.00 0.00 O ATOM 1614 CB HIS A 101 5.965 -16.279 -6.077 1.00 0.00 C ATOM 1615 CG HIS A 101 6.276 -16.317 -7.541 1.00 0.00 C ATOM 1616 ND1 HIS A 101 5.315 -16.524 -8.509 1.00 0.00 N ATOM 1617 CD2 HIS A 101 7.448 -16.173 -8.203 1.00 0.00 C ATOM 1618 CE1 HIS A 101 5.884 -16.506 -9.702 1.00 0.00 C ATOM 1619 NE2 HIS A 101 7.177 -16.295 -9.544 1.00 0.00 N ATOM 0 H HIS A 101 4.133 -15.580 -4.564 1.00 0.00 H new ATOM 0 HA HIS A 101 4.339 -17.597 -6.564 1.00 0.00 H new ATOM 0 HB2 HIS A 101 5.698 -15.260 -5.797 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.863 -16.539 -5.516 1.00 0.00 H new ATOM 0 HD2 HIS A 101 8.416 -15.995 -7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 101 5.377 -16.641 -10.646 1.00 0.00 H new ATOM 0 HE2 HIS A 101 7.864 -16.233 -10.296 1.00 0.00 H new ATOM 1628 N ARG A 102 5.639 -18.205 -3.602 1.00 0.00 N ATOM 1629 CA ARG A 102 6.178 -19.258 -2.750 1.00 0.00 C ATOM 1630 C ARG A 102 5.194 -20.417 -2.628 1.00 0.00 C ATOM 1631 O ARG A 102 5.611 -21.502 -2.171 1.00 0.00 O ATOM 1632 CB ARG A 102 6.508 -18.701 -1.363 1.00 0.00 C ATOM 1633 CG ARG A 102 7.887 -19.100 -0.859 1.00 0.00 C ATOM 1634 CD ARG A 102 7.797 -20.057 0.320 1.00 0.00 C ATOM 1635 NE ARG A 102 7.982 -21.448 -0.090 1.00 0.00 N ATOM 1636 CZ ARG A 102 7.691 -22.493 0.681 1.00 0.00 C ATOM 1637 NH1 ARG A 102 7.202 -22.309 1.902 1.00 0.00 N ATOM 1638 NH2 ARG A 102 7.889 -23.724 0.232 1.00 0.00 N ATOM 1639 OXT ARG A 102 4.013 -20.230 -2.990 1.00 0.00 O ATOM 0 H ARG A 102 5.472 -17.320 -3.124 1.00 0.00 H new ATOM 0 HA ARG A 102 7.093 -19.632 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 102 6.442 -17.613 -1.392 1.00 0.00 H new ATOM 0 HB3 ARG A 102 5.757 -19.047 -0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.449 -19.569 -1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.439 -18.208 -0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.553 -19.793 1.060 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.826 -19.947 0.803 1.00 0.00 H new ATOM 0 HE ARG A 102 8.356 -21.628 -1.022 1.00 0.00 H new ATOM 0 HH11 ARG A 102 7.048 -21.364 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.980 -23.113 2.489 1.00 0.00 H new ATOM 0 HH21 ARG A 102 8.265 -23.871 -0.705 1.00 0.00 H new ATOM 0 HH22 ARG A 102 7.666 -24.525 0.823 1.00 0.00 H new TER 1653 ARG A 102