USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 766 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 53 MET CE :methyl 153:sc= -1.2 (180deg=-3.44!) USER MOD Set 1.2: A 57 MET CE :methyl -129:sc= -1.7 (180deg=-2.97) USER MOD Set 2.1: A 7 MET CE :methyl -132:sc= -1.74 (180deg=-1.11) USER MOD Set 2.2: A 41 SER OG : rot -62:sc= -1.83 USER MOD Set 3.1: A 25 MET CE :methyl -141:sc= 0 (180deg=0) USER MOD Set 3.2: A 74 GLN : amide:sc= -0.123 X(o=1.1,f=0.77) USER MOD Set 3.3: A 77 SER OG : rot 74:sc= 1.24 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc=-0.00234 K(o=-0.0023,f=-1.8!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 37:sc= 0.202 USER MOD Single : A 14 LYS NZ :NH3+ -166:sc=-0.00551 (180deg=-0.245) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -6.3! C(o=-6.3!,f=-7.5!) USER MOD Single : A 18 ASN : amide:sc= -4.17! K(o=-4.2!,f=-0.8) USER MOD Single : A 19 LYS NZ :NH3+ -148:sc= -0.233 (180deg=-1.24!) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= -0.405 (180deg=-1.46!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -120:sc= 0 USER MOD Single : A 36 SER OG : rot 8:sc= -0.678 USER MOD Single : A 38 ASN : amide:sc= 0.373 K(o=0.37,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0303 (180deg=-0.338) USER MOD Single : A 43 CYS SG : rot -160:sc= -4.17! USER MOD Single : A 45 SER OG : rot -13:sc= 0.67 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc= -0.0666 (180deg=-0.477) USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.124) USER MOD Single : A 61 LYS NZ :NH3+ -131:sc= 0.462 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.27! K(o=-1.3!,f=-0.13) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.698 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0.058 USER MOD Single : A 84 GLN : amide:sc= -2.44! C(o=-2.4!,f=-1.9!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= -2.33! K(o=-2.3!,f=-1.7) USER MOD Single : A 91 SER OG : rot 118:sc= 0.393 USER MOD Single : A 93 SER OG : rot 23:sc= 0.931 USER MOD Single : A 94 SER OG : rot -55:sc= 0.038 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 11.496 11.370 0.018 1.00 1.00 N ATOM 21 CA LYS A 2 11.949 10.026 -0.327 1.00 1.00 C ATOM 22 C LYS A 2 11.211 8.972 0.492 1.00 1.00 C ATOM 23 O LYS A 2 11.820 8.246 1.278 1.00 1.00 O ATOM 24 CB LYS A 2 13.457 9.909 -0.077 1.00 1.00 C ATOM 25 CG LYS A 2 14.186 11.038 -0.808 1.00 1.00 C ATOM 26 CD LYS A 2 15.657 11.056 -0.386 1.00 1.00 C ATOM 27 CE LYS A 2 16.387 12.178 -1.126 1.00 1.00 C ATOM 28 NZ LYS A 2 17.752 12.342 -0.552 1.00 1.00 N ATOM 0 HA LYS A 2 11.736 9.853 -1.382 1.00 1.00 H new ATOM 0 HB2 LYS A 2 13.664 9.961 0.992 1.00 1.00 H new ATOM 0 HB3 LYS A 2 13.820 8.942 -0.426 1.00 1.00 H new ATOM 0 HG2 LYS A 2 14.108 10.897 -1.886 1.00 1.00 H new ATOM 0 HG3 LYS A 2 13.719 11.996 -0.577 1.00 1.00 H new ATOM 0 HD2 LYS A 2 15.735 11.205 0.691 1.00 1.00 H new ATOM 0 HD3 LYS A 2 16.122 10.096 -0.610 1.00 1.00 H new ATOM 0 HE2 LYS A 2 16.453 11.945 -2.189 1.00 1.00 H new ATOM 0 HE3 LYS A 2 15.829 13.110 -1.038 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 18.250 13.105 -1.054 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 17.678 12.582 0.457 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 18.282 11.454 -0.658 1.00 1.00 H new ATOM 42 N PRO A 3 9.918 8.876 0.326 1.00 1.00 N ATOM 43 CA PRO A 3 9.086 7.890 1.068 1.00 1.00 C ATOM 44 C PRO A 3 9.084 6.511 0.411 1.00 1.00 C ATOM 45 O PRO A 3 9.342 5.503 1.067 1.00 1.00 O ATOM 46 CB PRO A 3 7.690 8.523 1.021 1.00 1.00 C ATOM 47 CG PRO A 3 7.653 9.262 -0.279 1.00 1.00 C ATOM 48 CD PRO A 3 9.099 9.697 -0.579 1.00 1.00 C ATOM 0 HA PRO A 3 9.457 7.709 2.077 1.00 1.00 H new ATOM 0 HB2 PRO A 3 6.909 7.764 1.068 1.00 1.00 H new ATOM 0 HB3 PRO A 3 7.531 9.196 1.864 1.00 1.00 H new ATOM 0 HG2 PRO A 3 7.267 8.626 -1.075 1.00 1.00 H new ATOM 0 HG3 PRO A 3 6.994 10.127 -0.214 1.00 1.00 H new ATOM 0 HD2 PRO A 3 9.360 9.520 -1.623 1.00 1.00 H new ATOM 0 HD3 PRO A 3 9.242 10.761 -0.391 1.00 1.00 H new ATOM 56 N LEU A 4 8.764 6.473 -0.881 1.00 1.00 N ATOM 57 CA LEU A 4 8.697 5.209 -1.618 1.00 1.00 C ATOM 58 C LEU A 4 9.968 4.951 -2.429 1.00 1.00 C ATOM 59 O LEU A 4 10.058 3.962 -3.154 1.00 1.00 O ATOM 60 CB LEU A 4 7.491 5.237 -2.563 1.00 1.00 C ATOM 61 CG LEU A 4 6.185 5.387 -1.765 1.00 1.00 C ATOM 62 CD1 LEU A 4 4.995 5.420 -2.742 1.00 1.00 C ATOM 63 CD2 LEU A 4 6.018 4.217 -0.772 1.00 1.00 C ATOM 0 H LEU A 4 8.547 7.299 -1.439 1.00 1.00 H new ATOM 0 HA LEU A 4 8.596 4.404 -0.890 1.00 1.00 H new ATOM 0 HB2 LEU A 4 7.592 6.064 -3.266 1.00 1.00 H new ATOM 0 HB3 LEU A 4 7.461 4.320 -3.152 1.00 1.00 H new ATOM 0 HG LEU A 4 6.220 6.316 -1.197 1.00 1.00 H new ATOM 0 HD11 LEU A 4 4.067 5.526 -2.181 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.106 6.264 -3.423 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.969 4.493 -3.315 1.00 1.00 H new ATOM 0 HD21 LEU A 4 5.088 4.341 -0.217 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.990 3.275 -1.320 1.00 1.00 H new ATOM 0 HD23 LEU A 4 6.857 4.207 -0.077 1.00 1.00 H new ATOM 75 N SER A 5 10.934 5.852 -2.314 1.00 1.00 N ATOM 76 CA SER A 5 12.194 5.733 -3.053 1.00 1.00 C ATOM 77 C SER A 5 13.045 4.559 -2.568 1.00 1.00 C ATOM 78 O SER A 5 13.811 3.979 -3.336 1.00 1.00 O ATOM 79 CB SER A 5 12.987 7.034 -2.915 1.00 1.00 C ATOM 80 OG SER A 5 13.912 7.140 -3.988 1.00 1.00 O ATOM 0 H SER A 5 10.874 6.676 -1.716 1.00 1.00 H new ATOM 0 HA SER A 5 11.947 5.545 -4.098 1.00 1.00 H new ATOM 0 HB2 SER A 5 12.309 7.888 -2.919 1.00 1.00 H new ATOM 0 HB3 SER A 5 13.516 7.051 -1.962 1.00 1.00 H new ATOM 0 HG SER A 5 14.419 7.974 -3.901 1.00 1.00 H new ATOM 86 N ASN A 6 12.939 4.245 -1.286 1.00 1.00 N ATOM 87 CA ASN A 6 13.737 3.173 -0.685 1.00 1.00 C ATOM 88 C ASN A 6 12.977 1.853 -0.629 1.00 1.00 C ATOM 89 O ASN A 6 13.410 0.916 0.043 1.00 1.00 O ATOM 90 CB ASN A 6 14.123 3.576 0.739 1.00 1.00 C ATOM 91 CG ASN A 6 15.126 4.724 0.710 1.00 1.00 C ATOM 92 OD1 ASN A 6 15.755 4.975 -0.318 1.00 1.00 O ATOM 93 ND2 ASN A 6 15.322 5.433 1.788 1.00 1.00 N ATOM 0 H ASN A 6 12.309 4.715 -0.636 1.00 1.00 H new ATOM 0 HA ASN A 6 14.620 3.029 -1.308 1.00 1.00 H new ATOM 0 HB2 ASN A 6 13.233 3.875 1.293 1.00 1.00 H new ATOM 0 HB3 ASN A 6 14.553 2.722 1.262 1.00 1.00 H new ATOM 0 HD21 ASN A 6 15.998 6.197 1.780 1.00 1.00 H new ATOM 0 HD22 ASN A 6 14.800 5.223 2.639 1.00 1.00 H new ATOM 100 N MET A 7 11.833 1.772 -1.305 1.00 1.00 N ATOM 101 CA MET A 7 11.038 0.544 -1.266 1.00 1.00 C ATOM 102 C MET A 7 10.236 0.336 -2.552 1.00 1.00 C ATOM 103 O MET A 7 10.127 1.237 -3.384 1.00 1.00 O ATOM 104 CB MET A 7 10.083 0.615 -0.081 1.00 1.00 C ATOM 105 CG MET A 7 9.311 1.932 -0.121 1.00 1.00 C ATOM 106 SD MET A 7 8.305 2.091 1.378 1.00 1.00 S ATOM 107 CE MET A 7 6.994 0.911 0.958 1.00 1.00 C ATOM 0 H MET A 7 11.441 2.522 -1.874 1.00 1.00 H new ATOM 0 HA MET A 7 11.721 -0.299 -1.165 1.00 1.00 H new ATOM 0 HB2 MET A 7 9.389 -0.225 -0.110 1.00 1.00 H new ATOM 0 HB3 MET A 7 10.640 0.537 0.853 1.00 1.00 H new ATOM 0 HG2 MET A 7 10.004 2.770 -0.197 1.00 1.00 H new ATOM 0 HG3 MET A 7 8.673 1.965 -1.004 1.00 1.00 H new ATOM 0 HE1 MET A 7 6.021 1.366 1.146 1.00 1.00 H new ATOM 0 HE2 MET A 7 7.071 0.641 -0.095 1.00 1.00 H new ATOM 0 HE3 MET A 7 7.100 0.016 1.571 1.00 1.00 H new ATOM 117 N LYS A 8 9.668 -0.867 -2.691 1.00 1.00 N ATOM 118 CA LYS A 8 8.857 -1.221 -3.861 1.00 1.00 C ATOM 119 C LYS A 8 7.372 -1.093 -3.540 1.00 1.00 C ATOM 120 O LYS A 8 6.981 -0.961 -2.386 1.00 1.00 O ATOM 121 CB LYS A 8 9.151 -2.658 -4.312 1.00 1.00 C ATOM 122 CG LYS A 8 10.518 -2.742 -5.014 1.00 1.00 C ATOM 123 CD LYS A 8 11.629 -2.891 -3.974 1.00 1.00 C ATOM 124 CE LYS A 8 12.966 -3.100 -4.687 1.00 1.00 C ATOM 125 NZ LYS A 8 14.050 -3.261 -3.680 1.00 1.00 N ATOM 0 H LYS A 8 9.756 -1.615 -2.004 1.00 1.00 H new ATOM 0 HA LYS A 8 9.116 -0.533 -4.666 1.00 1.00 H new ATOM 0 HB2 LYS A 8 9.139 -3.324 -3.449 1.00 1.00 H new ATOM 0 HB3 LYS A 8 8.368 -2.999 -4.989 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.533 -3.590 -5.699 1.00 1.00 H new ATOM 0 HG3 LYS A 8 10.685 -1.846 -5.612 1.00 1.00 H new ATOM 0 HD2 LYS A 8 11.675 -2.002 -3.344 1.00 1.00 H new ATOM 0 HD3 LYS A 8 11.418 -3.736 -3.318 1.00 1.00 H new ATOM 0 HE2 LYS A 8 12.915 -3.982 -5.325 1.00 1.00 H new ATOM 0 HE3 LYS A 8 13.181 -2.250 -5.335 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 14.958 -3.403 -4.167 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 14.104 -2.407 -3.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 13.847 -4.086 -3.080 1.00 1.00 H new ATOM 139 N ILE A 9 6.555 -1.117 -4.586 1.00 1.00 N ATOM 140 CA ILE A 9 5.096 -0.982 -4.436 1.00 1.00 C ATOM 141 C ILE A 9 4.328 -1.964 -5.326 1.00 1.00 C ATOM 142 O ILE A 9 4.777 -2.323 -6.416 1.00 1.00 O ATOM 143 CB ILE A 9 4.692 0.441 -4.808 1.00 1.00 C ATOM 144 CG1 ILE A 9 5.281 1.446 -3.804 1.00 1.00 C ATOM 145 CG2 ILE A 9 3.164 0.580 -4.868 1.00 1.00 C ATOM 146 CD1 ILE A 9 4.718 1.230 -2.383 1.00 1.00 C ATOM 0 H ILE A 9 6.869 -1.228 -5.550 1.00 1.00 H new ATOM 0 HA ILE A 9 4.845 -1.206 -3.399 1.00 1.00 H new ATOM 0 HB ILE A 9 5.093 0.659 -5.798 1.00 1.00 H new ATOM 0 HG12 ILE A 9 6.366 1.347 -3.784 1.00 1.00 H new ATOM 0 HG13 ILE A 9 5.059 2.461 -4.133 1.00 1.00 H new ATOM 0 HG21 ILE A 9 2.902 1.604 -5.135 1.00 1.00 H new ATOM 0 HG22 ILE A 9 2.766 -0.104 -5.617 1.00 1.00 H new ATOM 0 HG23 ILE A 9 2.738 0.339 -3.894 1.00 1.00 H new ATOM 0 HD11 ILE A 9 5.158 1.959 -1.703 1.00 1.00 H new ATOM 0 HD12 ILE A 9 3.635 1.355 -2.398 1.00 1.00 H new ATOM 0 HD13 ILE A 9 4.963 0.223 -2.044 1.00 1.00 H new ATOM 158 N LEU A 10 3.147 -2.368 -4.843 1.00 1.00 N ATOM 159 CA LEU A 10 2.265 -3.289 -5.576 1.00 1.00 C ATOM 160 C LEU A 10 0.818 -2.804 -5.492 1.00 1.00 C ATOM 161 O LEU A 10 0.388 -2.293 -4.458 1.00 1.00 O ATOM 162 CB LEU A 10 2.376 -4.693 -4.982 1.00 1.00 C ATOM 163 CG LEU A 10 1.701 -5.758 -5.891 1.00 1.00 C ATOM 164 CD1 LEU A 10 2.483 -7.074 -5.803 1.00 1.00 C ATOM 165 CD2 LEU A 10 0.260 -6.024 -5.431 1.00 1.00 C ATOM 0 H LEU A 10 2.777 -2.070 -3.941 1.00 1.00 H new ATOM 0 HA LEU A 10 2.570 -3.317 -6.622 1.00 1.00 H new ATOM 0 HB2 LEU A 10 3.427 -4.947 -4.843 1.00 1.00 H new ATOM 0 HB3 LEU A 10 1.911 -4.709 -3.996 1.00 1.00 H new ATOM 0 HG LEU A 10 1.694 -5.382 -6.914 1.00 1.00 H new ATOM 0 HD11 LEU A 10 2.010 -7.821 -6.440 1.00 1.00 H new ATOM 0 HD12 LEU A 10 3.508 -6.911 -6.135 1.00 1.00 H new ATOM 0 HD13 LEU A 10 2.487 -7.427 -4.772 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -0.197 -6.772 -6.079 1.00 1.00 H new ATOM 0 HD22 LEU A 10 0.267 -6.389 -4.404 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -0.315 -5.099 -5.483 1.00 1.00 H new ATOM 177 N THR A 11 0.065 -2.969 -6.581 1.00 1.00 N ATOM 178 CA THR A 11 -1.344 -2.547 -6.618 1.00 1.00 C ATOM 179 C THR A 11 -2.269 -3.759 -6.743 1.00 1.00 C ATOM 180 O THR A 11 -2.080 -4.608 -7.613 1.00 1.00 O ATOM 181 CB THR A 11 -1.576 -1.613 -7.809 1.00 1.00 C ATOM 182 OG1 THR A 11 -1.126 -2.247 -9.001 1.00 1.00 O ATOM 183 CG2 THR A 11 -0.806 -0.307 -7.595 1.00 1.00 C ATOM 0 H THR A 11 0.401 -3.389 -7.447 1.00 1.00 H new ATOM 0 HA THR A 11 -1.569 -2.024 -5.688 1.00 1.00 H new ATOM 0 HB THR A 11 -2.640 -1.391 -7.897 1.00 1.00 H new ATOM 0 HG1 THR A 11 -1.329 -3.205 -8.959 1.00 1.00 H new ATOM 0 HG21 THR A 11 -0.972 0.357 -8.444 1.00 1.00 H new ATOM 0 HG22 THR A 11 -1.156 0.176 -6.683 1.00 1.00 H new ATOM 0 HG23 THR A 11 0.259 -0.523 -7.506 1.00 1.00 H new ATOM 191 N LEU A 12 -3.276 -3.829 -5.866 1.00 1.00 N ATOM 192 CA LEU A 12 -4.243 -4.936 -5.874 1.00 1.00 C ATOM 193 C LEU A 12 -5.667 -4.399 -6.031 1.00 1.00 C ATOM 194 O LEU A 12 -6.080 -3.491 -5.307 1.00 1.00 O ATOM 195 CB LEU A 12 -4.112 -5.752 -4.570 1.00 1.00 C ATOM 196 CG LEU A 12 -5.300 -6.717 -4.385 1.00 1.00 C ATOM 197 CD1 LEU A 12 -5.376 -7.694 -5.562 1.00 1.00 C ATOM 198 CD2 LEU A 12 -5.096 -7.523 -3.100 1.00 1.00 C ATOM 0 H LEU A 12 -3.444 -3.132 -5.140 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.030 -5.588 -6.721 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -3.181 -6.319 -4.586 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -4.057 -5.073 -3.719 1.00 1.00 H new ATOM 0 HG LEU A 12 -6.221 -6.136 -4.332 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -6.219 -8.370 -5.420 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -5.510 -7.137 -6.489 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -4.453 -8.271 -5.616 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -5.933 -8.208 -2.963 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -4.169 -8.092 -3.171 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -5.040 -6.844 -2.249 1.00 1.00 H new ATOM 210 N GLY A 13 -6.414 -4.975 -6.968 1.00 1.00 N ATOM 211 CA GLY A 13 -7.795 -4.563 -7.197 1.00 1.00 C ATOM 212 C GLY A 13 -7.877 -3.120 -7.680 1.00 1.00 C ATOM 213 O GLY A 13 -7.037 -2.664 -8.458 1.00 1.00 O ATOM 0 H GLY A 13 -6.089 -5.725 -7.578 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.254 -5.221 -7.935 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -8.365 -4.672 -6.275 1.00 1.00 H new ATOM 217 N LYS A 14 -8.898 -2.405 -7.207 1.00 1.00 N ATOM 218 CA LYS A 14 -9.104 -1.006 -7.581 1.00 1.00 C ATOM 219 C LYS A 14 -9.087 -0.123 -6.339 1.00 1.00 C ATOM 220 O LYS A 14 -9.372 -0.582 -5.233 1.00 1.00 O ATOM 221 CB LYS A 14 -10.448 -0.832 -8.298 1.00 1.00 C ATOM 222 CG LYS A 14 -10.476 0.536 -8.984 1.00 1.00 C ATOM 223 CD LYS A 14 -11.757 0.675 -9.804 1.00 1.00 C ATOM 224 CE LYS A 14 -11.717 1.990 -10.583 1.00 1.00 C ATOM 225 NZ LYS A 14 -11.776 3.140 -9.635 1.00 1.00 N ATOM 0 H LYS A 14 -9.597 -2.773 -6.562 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.297 -0.713 -8.252 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -10.587 -1.624 -9.033 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -11.268 -0.912 -7.584 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -10.423 1.329 -8.238 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -9.605 0.647 -9.630 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -11.856 -0.165 -10.491 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -12.627 0.654 -9.148 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -10.805 2.043 -11.178 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -12.555 2.037 -11.279 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -11.987 4.013 -10.160 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -12.522 2.971 -8.931 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -10.860 3.239 -9.152 1.00 1.00 H new ATOM 239 N LEU A 15 -8.753 1.151 -6.530 1.00 1.00 N ATOM 240 CA LEU A 15 -8.702 2.111 -5.423 1.00 1.00 C ATOM 241 C LEU A 15 -9.359 3.434 -5.837 1.00 1.00 C ATOM 242 O LEU A 15 -9.917 3.535 -6.929 1.00 1.00 O ATOM 243 CB LEU A 15 -7.247 2.320 -4.980 1.00 1.00 C ATOM 244 CG LEU A 15 -6.475 3.171 -5.993 1.00 1.00 C ATOM 245 CD1 LEU A 15 -4.995 3.215 -5.596 1.00 1.00 C ATOM 246 CD2 LEU A 15 -6.603 2.571 -7.395 1.00 1.00 C ATOM 0 H LEU A 15 -8.513 1.545 -7.440 1.00 1.00 H new ATOM 0 HA LEU A 15 -9.260 1.715 -4.575 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -7.228 2.805 -4.004 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -6.757 1.353 -4.865 1.00 1.00 H new ATOM 0 HG LEU A 15 -6.889 4.179 -5.998 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -4.443 3.820 -6.315 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -4.898 3.653 -4.603 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -4.590 2.203 -5.587 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -6.050 3.185 -8.106 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -6.197 1.560 -7.396 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -7.654 2.540 -7.683 1.00 1.00 H new ATOM 258 N SER A 16 -9.320 4.440 -4.957 1.00 1.00 N ATOM 259 CA SER A 16 -9.953 5.724 -5.270 1.00 1.00 C ATOM 260 C SER A 16 -9.342 6.326 -6.530 1.00 1.00 C ATOM 261 O SER A 16 -10.063 6.802 -7.409 1.00 1.00 O ATOM 262 CB SER A 16 -9.795 6.707 -4.108 1.00 1.00 C ATOM 263 OG SER A 16 -10.178 8.006 -4.540 1.00 1.00 O ATOM 0 H SER A 16 -8.868 4.393 -4.044 1.00 1.00 H new ATOM 0 HA SER A 16 -11.015 5.541 -5.436 1.00 1.00 H new ATOM 0 HB2 SER A 16 -10.411 6.394 -3.265 1.00 1.00 H new ATOM 0 HB3 SER A 16 -8.762 6.716 -3.761 1.00 1.00 H new ATOM 0 HG SER A 16 -10.080 8.639 -3.799 1.00 1.00 H new ATOM 269 N GLN A 17 -8.021 6.282 -6.631 1.00 1.00 N ATOM 270 CA GLN A 17 -7.345 6.801 -7.812 1.00 1.00 C ATOM 271 C GLN A 17 -7.746 5.959 -9.018 1.00 1.00 C ATOM 272 O GLN A 17 -8.231 4.839 -8.859 1.00 1.00 O ATOM 273 CB GLN A 17 -5.827 6.751 -7.611 1.00 1.00 C ATOM 274 CG GLN A 17 -5.375 7.885 -6.665 1.00 1.00 C ATOM 275 CD GLN A 17 -4.114 7.476 -5.898 1.00 1.00 C ATOM 276 OE1 GLN A 17 -3.133 7.041 -6.500 1.00 1.00 O ATOM 277 NE2 GLN A 17 -4.089 7.584 -4.589 1.00 1.00 N ATOM 0 H GLN A 17 -7.402 5.897 -5.918 1.00 1.00 H new ATOM 0 HA GLN A 17 -7.636 7.838 -7.978 1.00 1.00 H new ATOM 0 HB2 GLN A 17 -5.540 5.785 -7.195 1.00 1.00 H new ATOM 0 HB3 GLN A 17 -5.322 6.847 -8.572 1.00 1.00 H new ATOM 0 HG2 GLN A 17 -5.180 8.790 -7.240 1.00 1.00 H new ATOM 0 HG3 GLN A 17 -6.174 8.120 -5.962 1.00 1.00 H new ATOM 0 HE21 GLN A 17 -4.903 7.945 -4.091 1.00 1.00 H new ATOM 0 HE22 GLN A 17 -3.256 7.307 -4.070 1.00 1.00 H new ATOM 286 N ASN A 18 -7.561 6.495 -10.221 1.00 1.00 N ATOM 287 CA ASN A 18 -7.934 5.761 -11.424 1.00 1.00 C ATOM 288 C ASN A 18 -6.988 4.591 -11.652 1.00 1.00 C ATOM 289 O ASN A 18 -7.274 3.458 -11.260 1.00 1.00 O ATOM 290 CB ASN A 18 -7.898 6.696 -12.630 1.00 1.00 C ATOM 291 CG ASN A 18 -8.924 7.807 -12.446 1.00 1.00 C ATOM 292 OD1 ASN A 18 -10.115 7.599 -12.671 1.00 1.00 O ATOM 293 ND2 ASN A 18 -8.527 8.978 -12.027 1.00 1.00 N ATOM 0 H ASN A 18 -7.162 7.419 -10.387 1.00 1.00 H new ATOM 0 HA ASN A 18 -8.944 5.372 -11.295 1.00 1.00 H new ATOM 0 HB2 ASN A 18 -6.901 7.123 -12.742 1.00 1.00 H new ATOM 0 HB3 ASN A 18 -8.111 6.138 -13.542 1.00 1.00 H new ATOM 0 HD21 ASN A 18 -9.206 9.726 -11.885 1.00 1.00 H new ATOM 0 HD22 ASN A 18 -7.538 9.145 -11.842 1.00 1.00 H new ATOM 300 N LYS A 19 -5.861 4.871 -12.288 1.00 1.00 N ATOM 301 CA LYS A 19 -4.873 3.841 -12.566 1.00 1.00 C ATOM 302 C LYS A 19 -3.603 4.467 -13.105 1.00 1.00 C ATOM 303 O LYS A 19 -2.527 4.308 -12.533 1.00 1.00 O ATOM 304 CB LYS A 19 -5.432 2.851 -13.589 1.00 1.00 C ATOM 305 CG LYS A 19 -4.436 1.686 -13.824 1.00 1.00 C ATOM 306 CD LYS A 19 -3.622 1.917 -15.109 1.00 1.00 C ATOM 307 CE LYS A 19 -4.444 1.479 -16.324 1.00 1.00 C ATOM 308 NZ LYS A 19 -4.744 0.023 -16.220 1.00 1.00 N ATOM 0 H LYS A 19 -5.608 5.801 -12.621 1.00 1.00 H new ATOM 0 HA LYS A 19 -4.643 3.314 -11.640 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -6.385 2.456 -13.237 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -5.628 3.364 -14.530 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -3.762 1.599 -12.972 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -4.981 0.745 -13.897 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -3.356 2.970 -15.198 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -2.689 1.355 -15.067 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -5.371 2.050 -16.375 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -3.893 1.683 -17.242 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -4.790 -0.391 -17.173 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -3.994 -0.448 -15.674 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -5.657 -0.110 -15.740 1.00 1.00 H new ATOM 322 N ASP A 20 -3.730 5.181 -14.212 1.00 1.00 N ATOM 323 CA ASP A 20 -2.576 5.826 -14.813 1.00 1.00 C ATOM 324 C ASP A 20 -2.019 6.884 -13.870 1.00 1.00 C ATOM 325 O ASP A 20 -0.807 7.026 -13.719 1.00 1.00 O ATOM 326 CB ASP A 20 -2.973 6.485 -16.136 1.00 1.00 C ATOM 327 CG ASP A 20 -1.772 7.213 -16.735 1.00 1.00 C ATOM 328 OD1 ASP A 20 -0.868 6.540 -17.199 1.00 1.00 O ATOM 329 OD2 ASP A 20 -1.777 8.433 -16.717 1.00 1.00 O ATOM 0 H ASP A 20 -4.610 5.327 -14.707 1.00 1.00 H new ATOM 0 HA ASP A 20 -1.813 5.071 -15.000 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -3.337 5.730 -16.833 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -3.790 7.187 -15.972 1.00 1.00 H new ATOM 334 N GLU A 21 -2.925 7.627 -13.243 1.00 1.00 N ATOM 335 CA GLU A 21 -2.535 8.687 -12.318 1.00 1.00 C ATOM 336 C GLU A 21 -1.882 8.115 -11.075 1.00 1.00 C ATOM 337 O GLU A 21 -0.889 8.647 -10.578 1.00 1.00 O ATOM 338 CB GLU A 21 -3.760 9.522 -11.926 1.00 1.00 C ATOM 339 CG GLU A 21 -4.701 8.736 -11.005 1.00 1.00 C ATOM 340 CD GLU A 21 -5.939 9.574 -10.709 1.00 1.00 C ATOM 341 OE1 GLU A 21 -5.949 10.733 -11.089 1.00 1.00 O ATOM 342 OE2 GLU A 21 -6.861 9.044 -10.111 1.00 1.00 O ATOM 0 H GLU A 21 -3.932 7.516 -13.358 1.00 1.00 H new ATOM 0 HA GLU A 21 -1.810 9.325 -12.823 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -3.435 10.434 -11.425 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -4.298 9.826 -12.824 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -4.989 7.797 -11.477 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -4.190 8.482 -10.076 1.00 1.00 H new ATOM 349 N ALA A 22 -2.451 7.030 -10.579 1.00 1.00 N ATOM 350 CA ALA A 22 -1.926 6.387 -9.386 1.00 1.00 C ATOM 351 C ALA A 22 -0.474 6.003 -9.611 1.00 1.00 C ATOM 352 O ALA A 22 0.395 6.289 -8.795 1.00 1.00 O ATOM 353 CB ALA A 22 -2.754 5.136 -9.078 1.00 1.00 C ATOM 0 H ALA A 22 -3.272 6.577 -10.981 1.00 1.00 H new ATOM 0 HA ALA A 22 -1.986 7.076 -8.543 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -2.362 4.652 -8.184 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -3.793 5.419 -8.912 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -2.696 4.445 -9.919 1.00 1.00 H new ATOM 359 N LYS A 23 -0.228 5.354 -10.736 1.00 1.00 N ATOM 360 CA LYS A 23 1.108 4.919 -11.097 1.00 1.00 C ATOM 361 C LYS A 23 2.036 6.116 -11.271 1.00 1.00 C ATOM 362 O LYS A 23 3.184 6.096 -10.828 1.00 1.00 O ATOM 363 CB LYS A 23 1.029 4.150 -12.411 1.00 1.00 C ATOM 364 CG LYS A 23 0.275 2.837 -12.197 1.00 1.00 C ATOM 365 CD LYS A 23 0.152 2.117 -13.538 1.00 1.00 C ATOM 366 CE LYS A 23 -0.513 0.753 -13.343 1.00 1.00 C ATOM 367 NZ LYS A 23 -0.582 0.049 -14.656 1.00 1.00 N ATOM 0 H LYS A 23 -0.945 5.115 -11.421 1.00 1.00 H new ATOM 0 HA LYS A 23 1.505 4.286 -10.304 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.523 4.752 -13.166 1.00 1.00 H new ATOM 0 HB3 LYS A 23 2.032 3.947 -12.785 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.804 2.210 -11.479 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -0.713 3.033 -11.781 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -0.434 2.720 -14.231 1.00 1.00 H new ATOM 0 HD3 LYS A 23 1.139 1.989 -13.983 1.00 1.00 H new ATOM 0 HE2 LYS A 23 0.054 0.158 -12.627 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.514 0.879 -12.931 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -1.414 -0.575 -14.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -0.659 0.749 -15.421 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 0.279 -0.518 -14.791 1.00 1.00 H new ATOM 381 N ALA A 24 1.533 7.155 -11.929 1.00 1.00 N ATOM 382 CA ALA A 24 2.333 8.349 -12.168 1.00 1.00 C ATOM 383 C ALA A 24 2.731 9.005 -10.851 1.00 1.00 C ATOM 384 O ALA A 24 3.866 9.454 -10.693 1.00 1.00 O ATOM 385 CB ALA A 24 1.541 9.345 -13.018 1.00 1.00 C ATOM 0 H ALA A 24 0.585 7.195 -12.303 1.00 1.00 H new ATOM 0 HA ALA A 24 3.238 8.055 -12.699 1.00 1.00 H new ATOM 0 HB1 ALA A 24 2.145 10.235 -13.193 1.00 1.00 H new ATOM 0 HB2 ALA A 24 1.286 8.886 -13.973 1.00 1.00 H new ATOM 0 HB3 ALA A 24 0.627 9.624 -12.494 1.00 1.00 H new ATOM 391 N MET A 25 1.797 9.053 -9.906 1.00 1.00 N ATOM 392 CA MET A 25 2.080 9.650 -8.610 1.00 1.00 C ATOM 393 C MET A 25 3.103 8.805 -7.852 1.00 1.00 C ATOM 394 O MET A 25 3.992 9.342 -7.204 1.00 1.00 O ATOM 395 CB MET A 25 0.755 9.847 -7.815 1.00 1.00 C ATOM 396 CG MET A 25 0.760 9.132 -6.450 1.00 1.00 C ATOM 397 SD MET A 25 1.982 9.904 -5.358 1.00 1.00 S ATOM 398 CE MET A 25 0.903 11.188 -4.680 1.00 1.00 C ATOM 0 H MET A 25 0.850 8.690 -10.013 1.00 1.00 H new ATOM 0 HA MET A 25 2.523 10.637 -8.746 1.00 1.00 H new ATOM 0 HB2 MET A 25 0.586 10.913 -7.660 1.00 1.00 H new ATOM 0 HB3 MET A 25 -0.079 9.475 -8.411 1.00 1.00 H new ATOM 0 HG2 MET A 25 -0.230 9.185 -5.998 1.00 1.00 H new ATOM 0 HG3 MET A 25 0.994 8.076 -6.583 1.00 1.00 H new ATOM 0 HE1 MET A 25 1.464 12.116 -4.574 1.00 1.00 H new ATOM 0 HE2 MET A 25 0.060 11.348 -5.353 1.00 1.00 H new ATOM 0 HE3 MET A 25 0.533 10.874 -3.704 1.00 1.00 H new ATOM 408 N ILE A 26 2.955 7.484 -7.931 1.00 1.00 N ATOM 409 CA ILE A 26 3.864 6.583 -7.238 1.00 1.00 C ATOM 410 C ILE A 26 5.291 6.724 -7.763 1.00 1.00 C ATOM 411 O ILE A 26 6.244 6.773 -6.984 1.00 1.00 O ATOM 412 CB ILE A 26 3.373 5.149 -7.420 1.00 1.00 C ATOM 413 CG1 ILE A 26 2.067 4.968 -6.639 1.00 1.00 C ATOM 414 CG2 ILE A 26 4.428 4.158 -6.901 1.00 1.00 C ATOM 415 CD1 ILE A 26 1.378 3.695 -7.113 1.00 1.00 C ATOM 0 H ILE A 26 2.220 7.020 -8.464 1.00 1.00 H new ATOM 0 HA ILE A 26 3.877 6.840 -6.179 1.00 1.00 H new ATOM 0 HB ILE A 26 3.203 4.955 -8.479 1.00 1.00 H new ATOM 0 HG12 ILE A 26 2.273 4.909 -5.570 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.415 5.828 -6.791 1.00 1.00 H new ATOM 0 HG21 ILE A 26 4.067 3.138 -7.036 1.00 1.00 H new ATOM 0 HG22 ILE A 26 5.356 4.291 -7.457 1.00 1.00 H new ATOM 0 HG23 ILE A 26 4.610 4.341 -5.842 1.00 1.00 H new ATOM 0 HD11 ILE A 26 0.447 3.558 -6.562 1.00 1.00 H new ATOM 0 HD12 ILE A 26 1.161 3.774 -8.178 1.00 1.00 H new ATOM 0 HD13 ILE A 26 2.032 2.841 -6.938 1.00 1.00 H new ATOM 427 N GLU A 27 5.432 6.797 -9.079 1.00 1.00 N ATOM 428 CA GLU A 27 6.748 6.941 -9.687 1.00 1.00 C ATOM 429 C GLU A 27 7.345 8.299 -9.343 1.00 1.00 C ATOM 430 O GLU A 27 8.561 8.442 -9.224 1.00 1.00 O ATOM 431 CB GLU A 27 6.657 6.766 -11.202 1.00 1.00 C ATOM 432 CG GLU A 27 6.300 5.311 -11.516 1.00 1.00 C ATOM 433 CD GLU A 27 6.168 5.119 -13.023 1.00 1.00 C ATOM 434 OE1 GLU A 27 6.322 6.094 -13.741 1.00 1.00 O ATOM 435 OE2 GLU A 27 5.914 4.002 -13.435 1.00 1.00 O ATOM 0 H GLU A 27 4.658 6.759 -9.742 1.00 1.00 H new ATOM 0 HA GLU A 27 7.401 6.165 -9.288 1.00 1.00 H new ATOM 0 HB2 GLU A 27 5.902 7.436 -11.614 1.00 1.00 H new ATOM 0 HB3 GLU A 27 7.606 7.030 -11.669 1.00 1.00 H new ATOM 0 HG2 GLU A 27 7.069 4.646 -11.123 1.00 1.00 H new ATOM 0 HG3 GLU A 27 5.365 5.043 -11.024 1.00 1.00 H new ATOM 442 N LYS A 28 6.479 9.295 -9.185 1.00 1.00 N ATOM 443 CA LYS A 28 6.931 10.641 -8.856 1.00 1.00 C ATOM 444 C LYS A 28 7.706 10.636 -7.540 1.00 1.00 C ATOM 445 O LYS A 28 8.753 11.277 -7.426 1.00 1.00 O ATOM 446 CB LYS A 28 5.719 11.572 -8.740 1.00 1.00 C ATOM 447 CG LYS A 28 6.166 13.037 -8.851 1.00 1.00 C ATOM 448 CD LYS A 28 4.940 13.958 -8.930 1.00 1.00 C ATOM 449 CE LYS A 28 4.302 14.118 -7.546 1.00 1.00 C ATOM 450 NZ LYS A 28 3.202 15.119 -7.625 1.00 1.00 N ATOM 0 H LYS A 28 5.468 9.196 -9.279 1.00 1.00 H new ATOM 0 HA LYS A 28 7.591 10.996 -9.647 1.00 1.00 H new ATOM 0 HB2 LYS A 28 4.998 11.343 -9.525 1.00 1.00 H new ATOM 0 HB3 LYS A 28 5.215 11.409 -7.787 1.00 1.00 H new ATOM 0 HG2 LYS A 28 6.777 13.305 -7.989 1.00 1.00 H new ATOM 0 HG3 LYS A 28 6.788 13.170 -9.736 1.00 1.00 H new ATOM 0 HD2 LYS A 28 5.234 14.934 -9.317 1.00 1.00 H new ATOM 0 HD3 LYS A 28 4.211 13.545 -9.628 1.00 1.00 H new ATOM 0 HE2 LYS A 28 3.914 13.160 -7.199 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.051 14.440 -6.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 2.766 15.231 -6.687 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 3.586 16.033 -7.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 2.484 14.793 -8.304 1.00 1.00 H new ATOM 464 N LEU A 29 7.190 9.911 -6.556 1.00 1.00 N ATOM 465 CA LEU A 29 7.847 9.829 -5.255 1.00 1.00 C ATOM 466 C LEU A 29 9.206 9.180 -5.412 1.00 1.00 C ATOM 467 O LEU A 29 10.180 9.547 -4.755 1.00 1.00 O ATOM 468 CB LEU A 29 7.029 8.946 -4.301 1.00 1.00 C ATOM 469 CG LEU A 29 5.564 9.384 -4.308 1.00 1.00 C ATOM 470 CD1 LEU A 29 4.727 8.568 -3.295 1.00 1.00 C ATOM 471 CD2 LEU A 29 5.484 10.877 -3.999 1.00 1.00 C ATOM 0 H LEU A 29 6.326 9.375 -6.631 1.00 1.00 H new ATOM 0 HA LEU A 29 7.938 10.839 -4.856 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.106 7.902 -4.603 1.00 1.00 H new ATOM 0 HB3 LEU A 29 7.433 9.016 -3.291 1.00 1.00 H new ATOM 0 HG LEU A 29 5.146 9.196 -5.297 1.00 1.00 H new ATOM 0 HD11 LEU A 29 3.691 8.904 -3.325 1.00 1.00 H new ATOM 0 HD12 LEU A 29 4.773 7.510 -3.554 1.00 1.00 H new ATOM 0 HD13 LEU A 29 5.127 8.714 -2.292 1.00 1.00 H new ATOM 0 HD21 LEU A 29 4.441 11.194 -4.003 1.00 1.00 H new ATOM 0 HD22 LEU A 29 5.918 11.069 -3.018 1.00 1.00 H new ATOM 0 HD23 LEU A 29 6.036 11.435 -4.755 1.00 1.00 H new ATOM 483 N GLY A 30 9.223 8.166 -6.258 1.00 1.00 N ATOM 484 CA GLY A 30 10.412 7.366 -6.505 1.00 1.00 C ATOM 485 C GLY A 30 10.019 5.909 -6.366 1.00 1.00 C ATOM 486 O GLY A 30 10.824 5.003 -6.571 1.00 1.00 O ATOM 0 H GLY A 30 8.408 7.872 -6.797 1.00 1.00 H new ATOM 0 HA2 GLY A 30 10.806 7.563 -7.502 1.00 1.00 H new ATOM 0 HA3 GLY A 30 11.199 7.620 -5.795 1.00 1.00 H new ATOM 490 N GLY A 31 8.749 5.702 -6.010 1.00 1.00 N ATOM 491 CA GLY A 31 8.219 4.362 -5.842 1.00 1.00 C ATOM 492 C GLY A 31 8.220 3.616 -7.170 1.00 1.00 C ATOM 493 O GLY A 31 8.062 4.217 -8.228 1.00 1.00 O ATOM 0 H GLY A 31 8.076 6.448 -5.835 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.817 3.817 -5.112 1.00 1.00 H new ATOM 0 HA3 GLY A 31 7.204 4.413 -5.448 1.00 1.00 H new ATOM 497 N LYS A 32 8.408 2.299 -7.104 1.00 1.00 N ATOM 498 CA LYS A 32 8.439 1.460 -8.302 1.00 1.00 C ATOM 499 C LYS A 32 7.382 0.370 -8.216 1.00 1.00 C ATOM 500 O LYS A 32 6.981 -0.039 -7.127 1.00 1.00 O ATOM 501 CB LYS A 32 9.817 0.814 -8.471 1.00 1.00 C ATOM 502 CG LYS A 32 10.856 1.883 -8.827 1.00 1.00 C ATOM 503 CD LYS A 32 12.254 1.252 -8.898 1.00 1.00 C ATOM 504 CE LYS A 32 12.427 0.469 -10.205 1.00 1.00 C ATOM 505 NZ LYS A 32 13.835 -0.007 -10.309 1.00 1.00 N ATOM 0 H LYS A 32 8.542 1.788 -6.231 1.00 1.00 H new ATOM 0 HA LYS A 32 8.232 2.096 -9.163 1.00 1.00 H new ATOM 0 HB2 LYS A 32 10.106 0.307 -7.550 1.00 1.00 H new ATOM 0 HB3 LYS A 32 9.779 0.057 -9.254 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.606 2.341 -9.784 1.00 1.00 H new ATOM 0 HG3 LYS A 32 10.844 2.677 -8.080 1.00 1.00 H new ATOM 0 HD2 LYS A 32 13.014 2.030 -8.831 1.00 1.00 H new ATOM 0 HD3 LYS A 32 12.402 0.587 -8.047 1.00 1.00 H new ATOM 0 HE2 LYS A 32 11.742 -0.378 -10.229 1.00 1.00 H new ATOM 0 HE3 LYS A 32 12.181 1.102 -11.057 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 13.957 -0.539 -11.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 14.479 0.810 -10.304 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 14.053 -0.625 -9.501 1.00 1.00 H new ATOM 519 N LEU A 33 6.932 -0.087 -9.378 1.00 1.00 N ATOM 520 CA LEU A 33 5.910 -1.128 -9.450 1.00 1.00 C ATOM 521 C LEU A 33 6.570 -2.484 -9.657 1.00 1.00 C ATOM 522 O LEU A 33 7.355 -2.667 -10.587 1.00 1.00 O ATOM 523 CB LEU A 33 4.979 -0.825 -10.626 1.00 1.00 C ATOM 524 CG LEU A 33 4.299 0.531 -10.400 1.00 1.00 C ATOM 525 CD1 LEU A 33 3.541 0.927 -11.669 1.00 1.00 C ATOM 526 CD2 LEU A 33 3.320 0.451 -9.212 1.00 1.00 C ATOM 0 H LEU A 33 7.258 0.246 -10.285 1.00 1.00 H new ATOM 0 HA LEU A 33 5.340 -1.150 -8.521 1.00 1.00 H new ATOM 0 HB2 LEU A 33 5.545 -0.810 -11.558 1.00 1.00 H new ATOM 0 HB3 LEU A 33 4.228 -1.609 -10.722 1.00 1.00 H new ATOM 0 HG LEU A 33 5.058 1.279 -10.172 1.00 1.00 H new ATOM 0 HD11 LEU A 33 3.054 1.890 -11.517 1.00 1.00 H new ATOM 0 HD12 LEU A 33 4.240 1.001 -12.502 1.00 1.00 H new ATOM 0 HD13 LEU A 33 2.788 0.172 -11.894 1.00 1.00 H new ATOM 0 HD21 LEU A 33 2.846 1.421 -9.065 1.00 1.00 H new ATOM 0 HD22 LEU A 33 2.556 -0.298 -9.420 1.00 1.00 H new ATOM 0 HD23 LEU A 33 3.865 0.173 -8.310 1.00 1.00 H new ATOM 538 N THR A 34 6.263 -3.428 -8.772 1.00 1.00 N ATOM 539 CA THR A 34 6.842 -4.771 -8.843 1.00 1.00 C ATOM 540 C THR A 34 5.742 -5.826 -8.873 1.00 1.00 C ATOM 541 O THR A 34 4.814 -5.791 -8.063 1.00 1.00 O ATOM 542 CB THR A 34 7.732 -5.005 -7.623 1.00 1.00 C ATOM 543 OG1 THR A 34 8.697 -3.966 -7.532 1.00 1.00 O ATOM 544 CG2 THR A 34 8.456 -6.344 -7.759 1.00 1.00 C ATOM 0 H THR A 34 5.616 -3.290 -7.996 1.00 1.00 H new ATOM 0 HA THR A 34 7.432 -4.851 -9.756 1.00 1.00 H new ATOM 0 HB THR A 34 7.111 -5.014 -6.727 1.00 1.00 H new ATOM 0 HG1 THR A 34 9.597 -4.351 -7.578 1.00 1.00 H new ATOM 0 HG21 THR A 34 9.089 -6.506 -6.887 1.00 1.00 H new ATOM 0 HG22 THR A 34 7.724 -7.148 -7.830 1.00 1.00 H new ATOM 0 HG23 THR A 34 9.073 -6.335 -8.658 1.00 1.00 H new ATOM 552 N GLY A 35 5.852 -6.768 -9.801 1.00 1.00 N ATOM 553 CA GLY A 35 4.861 -7.830 -9.907 1.00 1.00 C ATOM 554 C GLY A 35 5.007 -8.814 -8.746 1.00 1.00 C ATOM 555 O GLY A 35 5.222 -8.409 -7.605 1.00 1.00 O ATOM 0 H GLY A 35 6.608 -6.819 -10.484 1.00 1.00 H new ATOM 0 HA2 GLY A 35 3.859 -7.402 -9.905 1.00 1.00 H new ATOM 0 HA3 GLY A 35 4.982 -8.355 -10.854 1.00 1.00 H new ATOM 559 N SER A 36 4.888 -10.105 -9.037 1.00 1.00 N ATOM 560 CA SER A 36 5.009 -11.123 -7.995 1.00 1.00 C ATOM 561 C SER A 36 4.194 -10.728 -6.764 1.00 1.00 C ATOM 562 O SER A 36 3.000 -10.444 -6.871 1.00 1.00 O ATOM 563 CB SER A 36 6.479 -11.299 -7.608 1.00 1.00 C ATOM 564 OG SER A 36 6.969 -10.081 -7.062 1.00 1.00 O ATOM 0 H SER A 36 4.710 -10.470 -9.973 1.00 1.00 H new ATOM 0 HA SER A 36 4.622 -12.065 -8.383 1.00 1.00 H new ATOM 0 HB2 SER A 36 6.582 -12.104 -6.881 1.00 1.00 H new ATOM 0 HB3 SER A 36 7.066 -11.582 -8.482 1.00 1.00 H new ATOM 0 HG SER A 36 6.226 -9.452 -6.947 1.00 1.00 H new ATOM 570 N ALA A 37 4.833 -10.714 -5.594 1.00 1.00 N ATOM 571 CA ALA A 37 4.128 -10.352 -4.366 1.00 1.00 C ATOM 572 C ALA A 37 5.098 -9.940 -3.256 1.00 1.00 C ATOM 573 O ALA A 37 5.194 -8.759 -2.916 1.00 1.00 O ATOM 574 CB ALA A 37 3.271 -11.527 -3.893 1.00 1.00 C ATOM 0 H ALA A 37 5.819 -10.945 -5.471 1.00 1.00 H new ATOM 0 HA ALA A 37 3.491 -9.496 -4.589 1.00 1.00 H new ATOM 0 HB1 ALA A 37 2.748 -11.251 -2.977 1.00 1.00 H new ATOM 0 HB2 ALA A 37 2.543 -11.780 -4.664 1.00 1.00 H new ATOM 0 HB3 ALA A 37 3.910 -12.389 -3.700 1.00 1.00 H new ATOM 580 N ASN A 38 5.796 -10.918 -2.678 1.00 1.00 N ATOM 581 CA ASN A 38 6.731 -10.643 -1.584 1.00 1.00 C ATOM 582 C ASN A 38 7.830 -9.681 -2.006 1.00 1.00 C ATOM 583 O ASN A 38 8.365 -8.946 -1.171 1.00 1.00 O ATOM 584 CB ASN A 38 7.355 -11.929 -1.056 1.00 1.00 C ATOM 585 CG ASN A 38 8.348 -11.602 0.058 1.00 1.00 C ATOM 586 OD1 ASN A 38 9.552 -11.805 -0.103 1.00 1.00 O ATOM 587 ND2 ASN A 38 7.913 -11.092 1.186 1.00 1.00 N ATOM 0 H ASN A 38 5.734 -11.900 -2.945 1.00 1.00 H new ATOM 0 HA ASN A 38 6.151 -10.175 -0.789 1.00 1.00 H new ATOM 0 HB2 ASN A 38 6.577 -12.594 -0.679 1.00 1.00 H new ATOM 0 HB3 ASN A 38 7.862 -12.457 -1.864 1.00 1.00 H new ATOM 0 HD21 ASN A 38 8.572 -10.863 1.930 1.00 1.00 H new ATOM 0 HD22 ASN A 38 6.916 -10.924 1.319 1.00 1.00 H new ATOM 594 N LYS A 39 8.170 -9.668 -3.285 1.00 1.00 N ATOM 595 CA LYS A 39 9.211 -8.766 -3.750 1.00 1.00 C ATOM 596 C LYS A 39 8.812 -7.335 -3.422 1.00 1.00 C ATOM 597 O LYS A 39 9.653 -6.508 -3.067 1.00 1.00 O ATOM 598 CB LYS A 39 9.441 -8.921 -5.245 1.00 1.00 C ATOM 599 CG LYS A 39 10.081 -10.280 -5.516 1.00 1.00 C ATOM 600 CD LYS A 39 10.333 -10.424 -7.009 1.00 1.00 C ATOM 601 CE LYS A 39 11.047 -11.747 -7.290 1.00 1.00 C ATOM 602 NZ LYS A 39 10.170 -12.885 -6.900 1.00 1.00 N ATOM 0 H LYS A 39 7.752 -10.257 -4.005 1.00 1.00 H new ATOM 0 HA LYS A 39 10.145 -9.012 -3.244 1.00 1.00 H new ATOM 0 HB2 LYS A 39 8.496 -8.837 -5.781 1.00 1.00 H new ATOM 0 HB3 LYS A 39 10.086 -8.122 -5.611 1.00 1.00 H new ATOM 0 HG2 LYS A 39 11.018 -10.370 -4.966 1.00 1.00 H new ATOM 0 HG3 LYS A 39 9.428 -11.079 -5.166 1.00 1.00 H new ATOM 0 HD2 LYS A 39 9.388 -10.388 -7.551 1.00 1.00 H new ATOM 0 HD3 LYS A 39 10.938 -9.591 -7.367 1.00 1.00 H new ATOM 0 HE2 LYS A 39 11.300 -11.817 -8.348 1.00 1.00 H new ATOM 0 HE3 LYS A 39 11.984 -11.791 -6.734 1.00 1.00 H new ATOM 0 HZ1 LYS A 39 10.517 -13.759 -7.344 1.00 1.00 H new ATOM 0 HZ2 LYS A 39 10.182 -12.994 -5.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 39 9.197 -12.698 -7.217 1.00 1.00 H new ATOM 616 N ALA A 40 7.517 -7.060 -3.517 1.00 1.00 N ATOM 617 CA ALA A 40 6.998 -5.733 -3.197 1.00 1.00 C ATOM 618 C ALA A 40 7.113 -5.493 -1.701 1.00 1.00 C ATOM 619 O ALA A 40 7.248 -6.447 -0.934 1.00 1.00 O ATOM 620 CB ALA A 40 5.541 -5.629 -3.611 1.00 1.00 C ATOM 0 H ALA A 40 6.809 -7.733 -3.811 1.00 1.00 H new ATOM 0 HA ALA A 40 7.578 -4.985 -3.737 1.00 1.00 H new ATOM 0 HB1 ALA A 40 5.164 -4.636 -3.368 1.00 1.00 H new ATOM 0 HB2 ALA A 40 5.455 -5.797 -4.684 1.00 1.00 H new ATOM 0 HB3 ALA A 40 4.957 -6.379 -3.078 1.00 1.00 H new ATOM 626 N SER A 41 7.074 -4.229 -1.272 1.00 1.00 N ATOM 627 CA SER A 41 7.187 -3.931 0.158 1.00 1.00 C ATOM 628 C SER A 41 5.831 -3.581 0.739 1.00 1.00 C ATOM 629 O SER A 41 5.436 -4.100 1.782 1.00 1.00 O ATOM 630 CB SER A 41 8.137 -2.760 0.377 1.00 1.00 C ATOM 631 OG SER A 41 7.558 -1.592 -0.180 1.00 1.00 O ATOM 0 H SER A 41 6.968 -3.414 -1.876 1.00 1.00 H new ATOM 0 HA SER A 41 7.575 -4.818 0.659 1.00 1.00 H new ATOM 0 HB2 SER A 41 8.322 -2.618 1.442 1.00 1.00 H new ATOM 0 HB3 SER A 41 9.101 -2.963 -0.090 1.00 1.00 H new ATOM 0 HG SER A 41 7.442 -1.713 -1.146 1.00 1.00 H new ATOM 637 N LEU A 42 5.134 -2.669 0.068 1.00 1.00 N ATOM 638 CA LEU A 42 3.827 -2.224 0.538 1.00 1.00 C ATOM 639 C LEU A 42 2.798 -2.304 -0.591 1.00 1.00 C ATOM 640 O LEU A 42 2.930 -1.643 -1.620 1.00 1.00 O ATOM 641 CB LEU A 42 3.967 -0.773 1.019 1.00 1.00 C ATOM 642 CG LEU A 42 2.840 -0.361 1.987 1.00 1.00 C ATOM 643 CD1 LEU A 42 1.478 -0.871 1.515 1.00 1.00 C ATOM 644 CD2 LEU A 42 3.108 -0.924 3.389 1.00 1.00 C ATOM 0 H LEU A 42 5.449 -2.227 -0.796 1.00 1.00 H new ATOM 0 HA LEU A 42 3.484 -2.864 1.351 1.00 1.00 H new ATOM 0 HB2 LEU A 42 4.930 -0.649 1.514 1.00 1.00 H new ATOM 0 HB3 LEU A 42 3.963 -0.106 0.157 1.00 1.00 H new ATOM 0 HG LEU A 42 2.823 0.729 2.013 1.00 1.00 H new ATOM 0 HD11 LEU A 42 0.709 -0.561 2.222 1.00 1.00 H new ATOM 0 HD12 LEU A 42 1.255 -0.457 0.532 1.00 1.00 H new ATOM 0 HD13 LEU A 42 1.498 -1.959 1.454 1.00 1.00 H new ATOM 0 HD21 LEU A 42 2.304 -0.625 4.061 1.00 1.00 H new ATOM 0 HD22 LEU A 42 3.155 -2.012 3.341 1.00 1.00 H new ATOM 0 HD23 LEU A 42 4.056 -0.536 3.762 1.00 1.00 H new ATOM 656 N CYS A 43 1.755 -3.082 -0.354 1.00 1.00 N ATOM 657 CA CYS A 43 0.658 -3.224 -1.305 1.00 1.00 C ATOM 658 C CYS A 43 -0.397 -2.168 -1.002 1.00 1.00 C ATOM 659 O CYS A 43 -0.632 -1.838 0.160 1.00 1.00 O ATOM 660 CB CYS A 43 0.020 -4.609 -1.168 1.00 1.00 C ATOM 661 SG CYS A 43 1.163 -5.883 -1.748 1.00 1.00 S ATOM 0 H CYS A 43 1.642 -3.632 0.498 1.00 1.00 H new ATOM 0 HA CYS A 43 1.043 -3.101 -2.317 1.00 1.00 H new ATOM 0 HB2 CYS A 43 -0.244 -4.794 -0.127 1.00 1.00 H new ATOM 0 HB3 CYS A 43 -0.905 -4.650 -1.744 1.00 1.00 H new ATOM 0 HG CYS A 43 0.500 -6.966 -2.026 1.00 1.00 H new ATOM 667 N ILE A 44 -1.040 -1.642 -2.041 1.00 1.00 N ATOM 668 CA ILE A 44 -2.079 -0.627 -1.849 1.00 1.00 C ATOM 669 C ILE A 44 -3.452 -1.272 -1.886 1.00 1.00 C ATOM 670 O ILE A 44 -3.887 -1.784 -2.917 1.00 1.00 O ATOM 671 CB ILE A 44 -1.999 0.438 -2.947 1.00 1.00 C ATOM 672 CG1 ILE A 44 -0.636 1.147 -2.905 1.00 1.00 C ATOM 673 CG2 ILE A 44 -3.135 1.452 -2.770 1.00 1.00 C ATOM 674 CD1 ILE A 44 -0.407 1.826 -1.542 1.00 1.00 C ATOM 0 H ILE A 44 -0.865 -1.896 -3.013 1.00 1.00 H new ATOM 0 HA ILE A 44 -1.919 -0.157 -0.879 1.00 1.00 H new ATOM 0 HB ILE A 44 -2.105 -0.045 -3.918 1.00 1.00 H new ATOM 0 HG12 ILE A 44 0.159 0.425 -3.094 1.00 1.00 H new ATOM 0 HG13 ILE A 44 -0.585 1.892 -3.699 1.00 1.00 H new ATOM 0 HG21 ILE A 44 -3.074 2.207 -3.553 1.00 1.00 H new ATOM 0 HG22 ILE A 44 -4.094 0.939 -2.835 1.00 1.00 H new ATOM 0 HG23 ILE A 44 -3.046 1.932 -1.795 1.00 1.00 H new ATOM 0 HD11 ILE A 44 0.565 2.320 -1.540 1.00 1.00 H new ATOM 0 HD12 ILE A 44 -1.190 2.564 -1.367 1.00 1.00 H new ATOM 0 HD13 ILE A 44 -0.434 1.075 -0.752 1.00 1.00 H new ATOM 686 N SER A 45 -4.129 -1.227 -0.747 1.00 1.00 N ATOM 687 CA SER A 45 -5.464 -1.794 -0.635 1.00 1.00 C ATOM 688 C SER A 45 -6.211 -1.145 0.522 1.00 1.00 C ATOM 689 O SER A 45 -5.604 -0.731 1.511 1.00 1.00 O ATOM 690 CB SER A 45 -5.363 -3.303 -0.425 1.00 1.00 C ATOM 691 OG SER A 45 -4.746 -3.883 -1.565 1.00 1.00 O ATOM 0 H SER A 45 -3.776 -0.804 0.111 1.00 1.00 H new ATOM 0 HA SER A 45 -6.017 -1.601 -1.554 1.00 1.00 H new ATOM 0 HB2 SER A 45 -4.782 -3.521 0.471 1.00 1.00 H new ATOM 0 HB3 SER A 45 -6.354 -3.730 -0.274 1.00 1.00 H new ATOM 0 HG SER A 45 -4.722 -3.227 -2.293 1.00 1.00 H new ATOM 697 N THR A 46 -7.532 -1.050 0.389 1.00 1.00 N ATOM 698 CA THR A 46 -8.365 -0.446 1.423 1.00 1.00 C ATOM 699 C THR A 46 -8.889 -1.505 2.382 1.00 1.00 C ATOM 700 O THR A 46 -8.837 -2.699 2.096 1.00 1.00 O ATOM 701 CB THR A 46 -9.545 0.276 0.768 1.00 1.00 C ATOM 702 OG1 THR A 46 -10.523 -0.683 0.384 1.00 1.00 O ATOM 703 CG2 THR A 46 -9.055 1.032 -0.469 1.00 1.00 C ATOM 0 H THR A 46 -8.048 -1.384 -0.425 1.00 1.00 H new ATOM 0 HA THR A 46 -7.760 0.264 1.987 1.00 1.00 H new ATOM 0 HB THR A 46 -9.983 0.983 1.473 1.00 1.00 H new ATOM 0 HG1 THR A 46 -11.282 -0.226 -0.035 1.00 1.00 H new ATOM 0 HG21 THR A 46 -9.894 1.547 -0.937 1.00 1.00 H new ATOM 0 HG22 THR A 46 -8.300 1.761 -0.174 1.00 1.00 H new ATOM 0 HG23 THR A 46 -8.621 0.327 -1.178 1.00 1.00 H new ATOM 711 N LYS A 47 -9.412 -1.059 3.511 1.00 1.00 N ATOM 712 CA LYS A 47 -9.963 -1.968 4.491 1.00 1.00 C ATOM 713 C LYS A 47 -11.126 -2.726 3.857 1.00 1.00 C ATOM 714 O LYS A 47 -11.314 -3.918 4.090 1.00 1.00 O ATOM 715 CB LYS A 47 -10.438 -1.144 5.693 1.00 1.00 C ATOM 716 CG LYS A 47 -10.834 -2.040 6.871 1.00 1.00 C ATOM 717 CD LYS A 47 -9.575 -2.671 7.558 1.00 1.00 C ATOM 718 CE LYS A 47 -9.322 -2.075 8.967 1.00 1.00 C ATOM 719 NZ LYS A 47 -8.933 -3.170 9.900 1.00 1.00 N ATOM 0 H LYS A 47 -9.465 -0.073 3.768 1.00 1.00 H new ATOM 0 HA LYS A 47 -9.218 -2.690 4.824 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -9.646 -0.463 6.004 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -11.290 -0.530 5.400 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -11.395 -1.457 7.601 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -11.495 -2.833 6.521 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -9.709 -3.750 7.639 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -8.699 -2.505 6.931 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -8.534 -1.323 8.921 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -10.220 -1.574 9.329 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -8.762 -2.775 10.847 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -9.699 -3.872 9.951 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.066 -3.629 9.555 1.00 1.00 H new ATOM 733 N LYS A 48 -11.884 -2.024 3.031 1.00 1.00 N ATOM 734 CA LYS A 48 -13.026 -2.621 2.345 1.00 1.00 C ATOM 735 C LYS A 48 -12.564 -3.778 1.453 1.00 1.00 C ATOM 736 O LYS A 48 -13.375 -4.546 0.953 1.00 1.00 O ATOM 737 CB LYS A 48 -13.704 -1.560 1.465 1.00 1.00 C ATOM 738 CG LYS A 48 -13.984 -0.272 2.260 1.00 1.00 C ATOM 739 CD LYS A 48 -15.101 -0.481 3.289 1.00 1.00 C ATOM 740 CE LYS A 48 -15.346 0.840 4.022 1.00 1.00 C ATOM 741 NZ LYS A 48 -16.462 0.682 4.997 1.00 1.00 N ATOM 0 H LYS A 48 -11.732 -1.038 2.817 1.00 1.00 H new ATOM 0 HA LYS A 48 -13.726 -2.996 3.091 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -13.067 -1.332 0.611 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -14.639 -1.956 1.069 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -13.075 0.049 2.768 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -14.264 0.527 1.574 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -16.013 -0.813 2.794 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -14.821 -1.260 3.998 1.00 1.00 H new ATOM 0 HE2 LYS A 48 -14.440 1.151 4.541 1.00 1.00 H new ATOM 0 HE3 LYS A 48 -15.587 1.624 3.305 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 -16.622 1.583 5.491 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -17.328 0.405 4.492 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -16.216 -0.053 5.690 1.00 1.00 H new ATOM 755 N GLU A 49 -11.253 -3.897 1.266 1.00 1.00 N ATOM 756 CA GLU A 49 -10.675 -4.965 0.444 1.00 1.00 C ATOM 757 C GLU A 49 -10.020 -6.011 1.338 1.00 1.00 C ATOM 758 O GLU A 49 -10.059 -7.202 1.052 1.00 1.00 O ATOM 759 CB GLU A 49 -9.627 -4.380 -0.507 1.00 1.00 C ATOM 760 CG GLU A 49 -10.302 -3.427 -1.496 1.00 1.00 C ATOM 761 CD GLU A 49 -11.229 -4.202 -2.426 1.00 1.00 C ATOM 762 OE1 GLU A 49 -10.756 -5.126 -3.065 1.00 1.00 O ATOM 763 OE2 GLU A 49 -12.399 -3.863 -2.482 1.00 1.00 O ATOM 0 H GLU A 49 -10.564 -3.265 1.674 1.00 1.00 H new ATOM 0 HA GLU A 49 -11.470 -5.433 -0.137 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -8.863 -3.849 0.061 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -9.123 -5.182 -1.046 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -10.869 -2.670 -0.954 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -9.546 -2.902 -2.079 1.00 1.00 H new ATOM 770 N VAL A 50 -9.416 -5.553 2.424 1.00 1.00 N ATOM 771 CA VAL A 50 -8.757 -6.449 3.364 1.00 1.00 C ATOM 772 C VAL A 50 -9.787 -7.337 4.055 1.00 1.00 C ATOM 773 O VAL A 50 -9.560 -8.519 4.249 1.00 1.00 O ATOM 774 CB VAL A 50 -7.983 -5.653 4.416 1.00 1.00 C ATOM 775 CG1 VAL A 50 -7.325 -6.608 5.413 1.00 1.00 C ATOM 776 CG2 VAL A 50 -6.904 -4.810 3.730 1.00 1.00 C ATOM 0 H VAL A 50 -9.368 -4.566 2.677 1.00 1.00 H new ATOM 0 HA VAL A 50 -8.057 -7.072 2.807 1.00 1.00 H new ATOM 0 HB VAL A 50 -8.674 -4.999 4.948 1.00 1.00 H new ATOM 0 HG11 VAL A 50 -6.776 -6.034 6.159 1.00 1.00 H new ATOM 0 HG12 VAL A 50 -8.093 -7.204 5.907 1.00 1.00 H new ATOM 0 HG13 VAL A 50 -6.637 -7.268 4.885 1.00 1.00 H new ATOM 0 HG21 VAL A 50 -6.353 -4.243 4.481 1.00 1.00 H new ATOM 0 HG22 VAL A 50 -6.217 -5.465 3.193 1.00 1.00 H new ATOM 0 HG23 VAL A 50 -7.373 -4.121 3.027 1.00 1.00 H new ATOM 786 N GLU A 51 -10.911 -6.746 4.439 1.00 1.00 N ATOM 787 CA GLU A 51 -11.966 -7.485 5.130 1.00 1.00 C ATOM 788 C GLU A 51 -12.467 -8.625 4.264 1.00 1.00 C ATOM 789 O GLU A 51 -12.981 -9.627 4.762 1.00 1.00 O ATOM 790 CB GLU A 51 -13.119 -6.534 5.444 1.00 1.00 C ATOM 791 CG GLU A 51 -12.630 -5.469 6.423 1.00 1.00 C ATOM 792 CD GLU A 51 -12.342 -6.084 7.789 1.00 1.00 C ATOM 793 OE1 GLU A 51 -12.859 -7.156 8.060 1.00 1.00 O ATOM 794 OE2 GLU A 51 -11.606 -5.470 8.544 1.00 1.00 O ATOM 0 H GLU A 51 -11.118 -5.759 4.285 1.00 1.00 H new ATOM 0 HA GLU A 51 -11.565 -7.900 6.054 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -13.482 -6.066 4.529 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -13.956 -7.085 5.874 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -11.728 -4.997 6.034 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -13.382 -4.686 6.522 1.00 1.00 H new ATOM 801 N LYS A 52 -12.325 -8.452 2.965 1.00 1.00 N ATOM 802 CA LYS A 52 -12.774 -9.451 2.014 1.00 1.00 C ATOM 803 C LYS A 52 -11.999 -10.749 2.199 1.00 1.00 C ATOM 804 O LYS A 52 -12.571 -11.837 2.154 1.00 1.00 O ATOM 805 CB LYS A 52 -12.532 -8.931 0.604 1.00 1.00 C ATOM 806 CG LYS A 52 -13.203 -7.562 0.430 1.00 1.00 C ATOM 807 CD LYS A 52 -14.721 -7.708 0.556 1.00 1.00 C ATOM 808 CE LYS A 52 -15.436 -6.486 -0.021 1.00 1.00 C ATOM 809 NZ LYS A 52 -16.891 -6.783 -0.147 1.00 1.00 N ATOM 0 H LYS A 52 -11.901 -7.626 2.542 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.834 -9.644 2.176 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -11.461 -8.847 0.417 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -12.929 -9.636 -0.126 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -12.832 -6.867 1.183 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -12.948 -7.143 -0.544 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -15.049 -8.607 0.033 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -14.993 -7.832 1.604 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -15.284 -5.622 0.626 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -15.019 -6.232 -0.996 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -17.382 -5.954 -0.539 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -17.026 -7.597 -0.780 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -17.282 -7.005 0.791 1.00 1.00 H new ATOM 823 N MET A 53 -10.688 -10.624 2.389 1.00 1.00 N ATOM 824 CA MET A 53 -9.838 -11.796 2.554 1.00 1.00 C ATOM 825 C MET A 53 -10.023 -12.743 1.378 1.00 1.00 C ATOM 826 O MET A 53 -10.187 -13.949 1.556 1.00 1.00 O ATOM 827 CB MET A 53 -10.170 -12.518 3.861 1.00 1.00 C ATOM 828 CG MET A 53 -9.723 -11.662 5.048 1.00 1.00 C ATOM 829 SD MET A 53 -7.920 -11.778 5.212 1.00 1.00 S ATOM 830 CE MET A 53 -7.561 -10.027 5.508 1.00 1.00 C ATOM 0 H MET A 53 -10.196 -9.731 2.432 1.00 1.00 H new ATOM 0 HA MET A 53 -8.799 -11.469 2.590 1.00 1.00 H new ATOM 0 HB2 MET A 53 -11.241 -12.709 3.921 1.00 1.00 H new ATOM 0 HB3 MET A 53 -9.671 -13.487 3.890 1.00 1.00 H new ATOM 0 HG2 MET A 53 -10.022 -10.625 4.898 1.00 1.00 H new ATOM 0 HG3 MET A 53 -10.207 -12.004 5.963 1.00 1.00 H new ATOM 0 HE1 MET A 53 -6.642 -9.937 6.088 1.00 1.00 H new ATOM 0 HE2 MET A 53 -7.440 -9.514 4.554 1.00 1.00 H new ATOM 0 HE3 MET A 53 -8.385 -9.575 6.061 1.00 1.00 H new ATOM 840 N SER A 54 -9.994 -12.183 0.171 1.00 1.00 N ATOM 841 CA SER A 54 -10.155 -12.983 -1.036 1.00 1.00 C ATOM 842 C SER A 54 -8.894 -13.801 -1.303 1.00 1.00 C ATOM 843 O SER A 54 -7.919 -13.714 -0.556 1.00 1.00 O ATOM 844 CB SER A 54 -10.446 -12.083 -2.237 1.00 1.00 C ATOM 845 OG SER A 54 -11.684 -11.417 -2.037 1.00 1.00 O ATOM 0 H SER A 54 -9.861 -11.185 0.005 1.00 1.00 H new ATOM 0 HA SER A 54 -10.995 -13.661 -0.887 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.645 -11.355 -2.363 1.00 1.00 H new ATOM 0 HB3 SER A 54 -10.483 -12.677 -3.150 1.00 1.00 H new ATOM 0 HG SER A 54 -11.872 -10.838 -2.805 1.00 1.00 H new ATOM 851 N LYS A 55 -8.921 -14.594 -2.367 1.00 1.00 N ATOM 852 CA LYS A 55 -7.776 -15.430 -2.717 1.00 1.00 C ATOM 853 C LYS A 55 -6.554 -14.566 -3.013 1.00 1.00 C ATOM 854 O LYS A 55 -5.445 -14.892 -2.603 1.00 1.00 O ATOM 855 CB LYS A 55 -8.117 -16.284 -3.938 1.00 1.00 C ATOM 856 CG LYS A 55 -9.191 -17.304 -3.555 1.00 1.00 C ATOM 857 CD LYS A 55 -9.565 -18.144 -4.778 1.00 1.00 C ATOM 858 CE LYS A 55 -10.689 -19.110 -4.402 1.00 1.00 C ATOM 859 NZ LYS A 55 -10.213 -20.031 -3.332 1.00 1.00 N ATOM 0 H LYS A 55 -9.717 -14.677 -3.000 1.00 1.00 H new ATOM 0 HA LYS A 55 -7.545 -16.080 -1.873 1.00 1.00 H new ATOM 0 HB2 LYS A 55 -8.473 -15.651 -4.751 1.00 1.00 H new ATOM 0 HB3 LYS A 55 -7.225 -16.796 -4.299 1.00 1.00 H new ATOM 0 HG2 LYS A 55 -8.825 -17.950 -2.757 1.00 1.00 H new ATOM 0 HG3 LYS A 55 -10.073 -16.791 -3.171 1.00 1.00 H new ATOM 0 HD2 LYS A 55 -9.884 -17.496 -5.595 1.00 1.00 H new ATOM 0 HD3 LYS A 55 -8.696 -18.699 -5.132 1.00 1.00 H new ATOM 0 HE2 LYS A 55 -11.561 -18.554 -4.057 1.00 1.00 H new ATOM 0 HE3 LYS A 55 -11.000 -19.681 -5.277 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 -10.856 -20.845 -3.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 -9.255 -20.365 -3.562 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 -10.195 -19.527 -2.423 1.00 1.00 H new ATOM 873 N LYS A 56 -6.771 -13.459 -3.714 1.00 1.00 N ATOM 874 CA LYS A 56 -5.691 -12.548 -4.047 1.00 1.00 C ATOM 875 C LYS A 56 -5.091 -11.980 -2.763 1.00 1.00 C ATOM 876 O LYS A 56 -3.875 -11.845 -2.637 1.00 1.00 O ATOM 877 CB LYS A 56 -6.212 -11.405 -4.924 1.00 1.00 C ATOM 878 CG LYS A 56 -6.590 -11.921 -6.328 1.00 1.00 C ATOM 879 CD LYS A 56 -7.985 -12.560 -6.310 1.00 1.00 C ATOM 880 CE LYS A 56 -8.444 -12.832 -7.746 1.00 1.00 C ATOM 881 NZ LYS A 56 -8.890 -11.553 -8.368 1.00 1.00 N ATOM 0 H LYS A 56 -7.687 -13.174 -4.061 1.00 1.00 H new ATOM 0 HA LYS A 56 -4.925 -13.092 -4.599 1.00 1.00 H new ATOM 0 HB2 LYS A 56 -7.082 -10.947 -4.453 1.00 1.00 H new ATOM 0 HB3 LYS A 56 -5.451 -10.630 -5.009 1.00 1.00 H new ATOM 0 HG2 LYS A 56 -6.570 -11.097 -7.042 1.00 1.00 H new ATOM 0 HG3 LYS A 56 -5.854 -12.651 -6.664 1.00 1.00 H new ATOM 0 HD2 LYS A 56 -7.963 -13.490 -5.742 1.00 1.00 H new ATOM 0 HD3 LYS A 56 -8.693 -11.898 -5.810 1.00 1.00 H new ATOM 0 HE2 LYS A 56 -7.629 -13.267 -8.325 1.00 1.00 H new ATOM 0 HE3 LYS A 56 -9.259 -13.556 -7.749 1.00 1.00 H new ATOM 0 HZ1 LYS A 56 -9.446 -11.758 -9.223 1.00 1.00 H new ATOM 0 HZ2 LYS A 56 -9.477 -11.024 -7.692 1.00 1.00 H new ATOM 0 HZ3 LYS A 56 -8.059 -10.983 -8.624 1.00 1.00 H new ATOM 895 N MET A 57 -5.961 -11.666 -1.806 1.00 1.00 N ATOM 896 CA MET A 57 -5.528 -11.131 -0.521 1.00 1.00 C ATOM 897 C MET A 57 -4.616 -12.139 0.172 1.00 1.00 C ATOM 898 O MET A 57 -3.599 -11.765 0.756 1.00 1.00 O ATOM 899 CB MET A 57 -6.774 -10.839 0.352 1.00 1.00 C ATOM 900 CG MET A 57 -6.659 -9.472 1.049 1.00 1.00 C ATOM 901 SD MET A 57 -5.052 -9.337 1.865 1.00 1.00 S ATOM 902 CE MET A 57 -5.283 -10.645 3.094 1.00 1.00 C ATOM 0 H MET A 57 -6.971 -11.774 -1.898 1.00 1.00 H new ATOM 0 HA MET A 57 -4.972 -10.205 -0.671 1.00 1.00 H new ATOM 0 HB2 MET A 57 -7.669 -10.859 -0.270 1.00 1.00 H new ATOM 0 HB3 MET A 57 -6.888 -11.623 1.101 1.00 1.00 H new ATOM 0 HG2 MET A 57 -6.776 -8.670 0.320 1.00 1.00 H new ATOM 0 HG3 MET A 57 -7.459 -9.357 1.780 1.00 1.00 H new ATOM 0 HE1 MET A 57 -5.041 -10.260 4.085 1.00 1.00 H new ATOM 0 HE2 MET A 57 -6.320 -10.980 3.078 1.00 1.00 H new ATOM 0 HE3 MET A 57 -4.627 -11.484 2.861 1.00 1.00 H new ATOM 912 N GLU A 58 -4.984 -13.414 0.097 1.00 1.00 N ATOM 913 CA GLU A 58 -4.184 -14.461 0.720 1.00 1.00 C ATOM 914 C GLU A 58 -2.770 -14.459 0.149 1.00 1.00 C ATOM 915 O GLU A 58 -1.810 -14.703 0.870 1.00 1.00 O ATOM 916 CB GLU A 58 -4.823 -15.830 0.485 1.00 1.00 C ATOM 917 CG GLU A 58 -6.160 -15.924 1.228 1.00 1.00 C ATOM 918 CD GLU A 58 -5.937 -15.859 2.735 1.00 1.00 C ATOM 919 OE1 GLU A 58 -5.142 -16.641 3.229 1.00 1.00 O ATOM 920 OE2 GLU A 58 -6.563 -15.028 3.371 1.00 1.00 O ATOM 0 H GLU A 58 -5.821 -13.744 -0.383 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.140 -14.264 1.791 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -4.980 -15.988 -0.582 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -4.151 -16.617 0.829 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -6.815 -15.111 0.916 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -6.663 -16.856 0.968 1.00 1.00 H new ATOM 927 N GLU A 59 -2.644 -14.176 -1.143 1.00 1.00 N ATOM 928 CA GLU A 59 -1.328 -14.146 -1.778 1.00 1.00 C ATOM 929 C GLU A 59 -0.457 -13.095 -1.101 1.00 1.00 C ATOM 930 O GLU A 59 0.708 -13.341 -0.790 1.00 1.00 O ATOM 931 CB GLU A 59 -1.482 -13.784 -3.255 1.00 1.00 C ATOM 932 CG GLU A 59 -2.475 -14.751 -3.939 1.00 1.00 C ATOM 933 CD GLU A 59 -1.763 -15.997 -4.471 1.00 1.00 C ATOM 934 OE1 GLU A 59 -0.566 -15.933 -4.697 1.00 1.00 O ATOM 935 OE2 GLU A 59 -2.429 -17.007 -4.626 1.00 1.00 O ATOM 0 H GLU A 59 -3.424 -13.966 -1.765 1.00 1.00 H new ATOM 0 HA GLU A 59 -0.863 -15.127 -1.683 1.00 1.00 H new ATOM 0 HB2 GLU A 59 -1.837 -12.758 -3.351 1.00 1.00 H new ATOM 0 HB3 GLU A 59 -0.513 -13.833 -3.752 1.00 1.00 H new ATOM 0 HG2 GLU A 59 -3.246 -15.046 -3.228 1.00 1.00 H new ATOM 0 HG3 GLU A 59 -2.978 -14.239 -4.760 1.00 1.00 H new ATOM 942 N VAL A 60 -1.041 -11.926 -0.871 1.00 1.00 N ATOM 943 CA VAL A 60 -0.327 -10.830 -0.221 1.00 1.00 C ATOM 944 C VAL A 60 0.040 -11.239 1.209 1.00 1.00 C ATOM 945 O VAL A 60 1.169 -11.032 1.658 1.00 1.00 O ATOM 946 CB VAL A 60 -1.224 -9.580 -0.202 1.00 1.00 C ATOM 947 CG1 VAL A 60 -0.510 -8.405 0.481 1.00 1.00 C ATOM 948 CG2 VAL A 60 -1.577 -9.188 -1.638 1.00 1.00 C ATOM 0 H VAL A 60 -2.005 -11.711 -1.124 1.00 1.00 H new ATOM 0 HA VAL A 60 0.587 -10.605 -0.771 1.00 1.00 H new ATOM 0 HB VAL A 60 -2.130 -9.812 0.359 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -1.164 -7.533 0.482 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -0.264 -8.676 1.508 1.00 1.00 H new ATOM 0 HG13 VAL A 60 0.406 -8.171 -0.061 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -2.213 -8.303 -1.628 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -0.663 -8.972 -2.191 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -2.107 -10.010 -2.120 1.00 1.00 H new ATOM 958 N LYS A 61 -0.928 -11.814 1.914 1.00 1.00 N ATOM 959 CA LYS A 61 -0.719 -12.252 3.294 1.00 1.00 C ATOM 960 C LYS A 61 0.346 -13.344 3.375 1.00 1.00 C ATOM 961 O LYS A 61 1.219 -13.309 4.243 1.00 1.00 O ATOM 962 CB LYS A 61 -2.050 -12.755 3.869 1.00 1.00 C ATOM 963 CG LYS A 61 -1.870 -13.221 5.325 1.00 1.00 C ATOM 964 CD LYS A 61 -3.199 -13.761 5.877 1.00 1.00 C ATOM 965 CE LYS A 61 -4.168 -12.612 6.165 1.00 1.00 C ATOM 966 NZ LYS A 61 -5.287 -13.107 7.019 1.00 1.00 N ATOM 0 H LYS A 61 -1.866 -11.989 1.555 1.00 1.00 H new ATOM 0 HA LYS A 61 -0.363 -11.406 3.881 1.00 1.00 H new ATOM 0 HB2 LYS A 61 -2.795 -11.960 3.825 1.00 1.00 H new ATOM 0 HB3 LYS A 61 -2.427 -13.578 3.262 1.00 1.00 H new ATOM 0 HG2 LYS A 61 -1.105 -13.996 5.375 1.00 1.00 H new ATOM 0 HG3 LYS A 61 -1.523 -12.391 5.940 1.00 1.00 H new ATOM 0 HD2 LYS A 61 -3.645 -14.449 5.159 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -3.017 -14.328 6.790 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -3.645 -11.799 6.668 1.00 1.00 H new ATOM 0 HE3 LYS A 61 -4.560 -12.210 5.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 -6.195 -12.808 6.609 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 -5.254 -14.145 7.067 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 -5.193 -12.713 7.977 1.00 1.00 H new ATOM 980 N ALA A 62 0.267 -14.313 2.477 1.00 1.00 N ATOM 981 CA ALA A 62 1.227 -15.408 2.464 1.00 1.00 C ATOM 982 C ALA A 62 2.557 -14.945 1.887 1.00 1.00 C ATOM 983 O ALA A 62 3.572 -15.633 2.013 1.00 1.00 O ATOM 984 CB ALA A 62 0.687 -16.565 1.624 1.00 1.00 C ATOM 0 H ALA A 62 -0.447 -14.365 1.751 1.00 1.00 H new ATOM 0 HA ALA A 62 1.382 -15.742 3.490 1.00 1.00 H new ATOM 0 HB1 ALA A 62 1.411 -17.380 1.619 1.00 1.00 H new ATOM 0 HB2 ALA A 62 -0.253 -16.917 2.050 1.00 1.00 H new ATOM 0 HB3 ALA A 62 0.517 -16.225 0.603 1.00 1.00 H new ATOM 990 N ALA A 63 2.550 -13.773 1.254 1.00 1.00 N ATOM 991 CA ALA A 63 3.761 -13.221 0.657 1.00 1.00 C ATOM 992 C ALA A 63 4.480 -12.323 1.650 1.00 1.00 C ATOM 993 O ALA A 63 5.546 -11.787 1.352 1.00 1.00 O ATOM 994 CB ALA A 63 3.415 -12.426 -0.601 1.00 1.00 C ATOM 0 H ALA A 63 1.721 -13.190 1.142 1.00 1.00 H new ATOM 0 HA ALA A 63 4.419 -14.047 0.387 1.00 1.00 H new ATOM 0 HB1 ALA A 63 4.328 -12.019 -1.037 1.00 1.00 H new ATOM 0 HB2 ALA A 63 2.929 -13.082 -1.323 1.00 1.00 H new ATOM 0 HB3 ALA A 63 2.742 -11.609 -0.341 1.00 1.00 H new ATOM 1000 N ASN A 64 3.891 -12.165 2.831 1.00 1.00 N ATOM 1001 CA ASN A 64 4.494 -11.334 3.863 1.00 1.00 C ATOM 1002 C ASN A 64 4.718 -9.908 3.363 1.00 1.00 C ATOM 1003 O ASN A 64 5.830 -9.388 3.423 1.00 1.00 O ATOM 1004 CB ASN A 64 5.826 -11.949 4.320 1.00 1.00 C ATOM 1005 CG ASN A 64 5.594 -13.097 5.303 1.00 1.00 C ATOM 1006 OD1 ASN A 64 6.359 -14.063 5.318 1.00 1.00 O ATOM 1007 ND2 ASN A 64 4.591 -13.048 6.139 1.00 1.00 N ATOM 0 H ASN A 64 3.005 -12.597 3.094 1.00 1.00 H new ATOM 0 HA ASN A 64 3.808 -11.291 4.709 1.00 1.00 H new ATOM 0 HB2 ASN A 64 6.378 -12.314 3.454 1.00 1.00 H new ATOM 0 HB3 ASN A 64 6.442 -11.182 4.790 1.00 1.00 H new ATOM 0 HD21 ASN A 64 4.442 -13.808 6.802 1.00 1.00 H new ATOM 0 HD22 ASN A 64 3.957 -12.249 6.128 1.00 1.00 H new ATOM 1014 N VAL A 65 3.644 -9.270 2.901 1.00 1.00 N ATOM 1015 CA VAL A 65 3.710 -7.886 2.427 1.00 1.00 C ATOM 1016 C VAL A 65 2.697 -7.052 3.189 1.00 1.00 C ATOM 1017 O VAL A 65 1.507 -7.360 3.186 1.00 1.00 O ATOM 1018 CB VAL A 65 3.384 -7.843 0.941 1.00 1.00 C ATOM 1019 CG1 VAL A 65 3.483 -6.405 0.421 1.00 1.00 C ATOM 1020 CG2 VAL A 65 4.378 -8.718 0.196 1.00 1.00 C ATOM 0 H VAL A 65 2.716 -9.689 2.844 1.00 1.00 H new ATOM 0 HA VAL A 65 4.712 -7.489 2.590 1.00 1.00 H new ATOM 0 HB VAL A 65 2.369 -8.207 0.781 1.00 1.00 H new ATOM 0 HG11 VAL A 65 3.248 -6.386 -0.643 1.00 1.00 H new ATOM 0 HG12 VAL A 65 2.777 -5.774 0.960 1.00 1.00 H new ATOM 0 HG13 VAL A 65 4.495 -6.031 0.576 1.00 1.00 H new ATOM 0 HG21 VAL A 65 4.155 -8.695 -0.871 1.00 1.00 H new ATOM 0 HG22 VAL A 65 5.388 -8.344 0.363 1.00 1.00 H new ATOM 0 HG23 VAL A 65 4.305 -9.743 0.560 1.00 1.00 H new ATOM 1030 N ARG A 66 3.163 -6.005 3.849 1.00 1.00 N ATOM 1031 CA ARG A 66 2.261 -5.167 4.623 1.00 1.00 C ATOM 1032 C ARG A 66 1.334 -4.398 3.679 1.00 1.00 C ATOM 1033 O ARG A 66 1.670 -4.140 2.524 1.00 1.00 O ATOM 1034 CB ARG A 66 3.054 -4.204 5.513 1.00 1.00 C ATOM 1035 CG ARG A 66 2.091 -3.453 6.442 1.00 1.00 C ATOM 1036 CD ARG A 66 2.870 -2.458 7.290 1.00 1.00 C ATOM 1037 NE ARG A 66 3.958 -3.135 7.996 1.00 1.00 N ATOM 1038 CZ ARG A 66 5.112 -2.523 8.260 1.00 1.00 C ATOM 1039 NH1 ARG A 66 5.309 -1.290 7.875 1.00 1.00 N ATOM 1040 NH2 ARG A 66 6.052 -3.159 8.904 1.00 1.00 N ATOM 0 H ARG A 66 4.142 -5.718 3.866 1.00 1.00 H new ATOM 0 HA ARG A 66 1.654 -5.800 5.271 1.00 1.00 H new ATOM 0 HB2 ARG A 66 3.787 -4.756 6.101 1.00 1.00 H new ATOM 0 HB3 ARG A 66 3.608 -3.496 4.897 1.00 1.00 H new ATOM 0 HG2 ARG A 66 1.335 -2.932 5.854 1.00 1.00 H new ATOM 0 HG3 ARG A 66 1.564 -4.159 7.084 1.00 1.00 H new ATOM 0 HD2 ARG A 66 3.274 -1.668 6.657 1.00 1.00 H new ATOM 0 HD3 ARG A 66 2.203 -1.981 8.008 1.00 1.00 H new ATOM 0 HE ARG A 66 3.830 -4.102 8.294 1.00 1.00 H new ATOM 0 HH11 ARG A 66 4.577 -0.791 7.369 1.00 1.00 H new ATOM 0 HH12 ARG A 66 6.194 -0.827 8.080 1.00 1.00 H new ATOM 0 HH21 ARG A 66 5.903 -4.122 9.204 1.00 1.00 H new ATOM 0 HH22 ARG A 66 6.936 -2.693 9.107 1.00 1.00 H new ATOM 1054 N VAL A 67 0.148 -4.067 4.181 1.00 1.00 N ATOM 1055 CA VAL A 67 -0.874 -3.361 3.404 1.00 1.00 C ATOM 1056 C VAL A 67 -1.221 -2.017 4.050 1.00 1.00 C ATOM 1057 O VAL A 67 -1.422 -1.933 5.261 1.00 1.00 O ATOM 1058 CB VAL A 67 -2.132 -4.244 3.324 1.00 1.00 C ATOM 1059 CG1 VAL A 67 -3.333 -3.442 2.805 1.00 1.00 C ATOM 1060 CG2 VAL A 67 -1.872 -5.426 2.382 1.00 1.00 C ATOM 0 H VAL A 67 -0.135 -4.279 5.138 1.00 1.00 H new ATOM 0 HA VAL A 67 -0.489 -3.163 2.404 1.00 1.00 H new ATOM 0 HB VAL A 67 -2.359 -4.607 4.326 1.00 1.00 H new ATOM 0 HG11 VAL A 67 -4.209 -4.089 2.758 1.00 1.00 H new ATOM 0 HG12 VAL A 67 -3.533 -2.609 3.479 1.00 1.00 H new ATOM 0 HG13 VAL A 67 -3.111 -3.058 1.809 1.00 1.00 H new ATOM 0 HG21 VAL A 67 -2.764 -6.050 2.327 1.00 1.00 H new ATOM 0 HG22 VAL A 67 -1.629 -5.052 1.388 1.00 1.00 H new ATOM 0 HG23 VAL A 67 -1.039 -6.017 2.761 1.00 1.00 H new ATOM 1070 N VAL A 68 -1.306 -0.969 3.223 1.00 1.00 N ATOM 1071 CA VAL A 68 -1.653 0.376 3.712 1.00 1.00 C ATOM 1072 C VAL A 68 -2.714 0.987 2.807 1.00 1.00 C ATOM 1073 O VAL A 68 -2.879 0.577 1.659 1.00 1.00 O ATOM 1074 CB VAL A 68 -0.420 1.313 3.772 1.00 1.00 C ATOM 1075 CG1 VAL A 68 -0.127 1.963 2.392 1.00 1.00 C ATOM 1076 CG2 VAL A 68 -0.676 2.423 4.806 1.00 1.00 C ATOM 0 H VAL A 68 -1.141 -1.022 2.218 1.00 1.00 H new ATOM 0 HA VAL A 68 -2.035 0.270 4.727 1.00 1.00 H new ATOM 0 HB VAL A 68 0.445 0.714 4.057 1.00 1.00 H new ATOM 0 HG11 VAL A 68 0.744 2.613 2.474 1.00 1.00 H new ATOM 0 HG12 VAL A 68 0.070 1.183 1.657 1.00 1.00 H new ATOM 0 HG13 VAL A 68 -0.989 2.550 2.076 1.00 1.00 H new ATOM 0 HG21 VAL A 68 0.189 3.085 4.851 1.00 1.00 H new ATOM 0 HG22 VAL A 68 -1.556 2.996 4.514 1.00 1.00 H new ATOM 0 HG23 VAL A 68 -0.843 1.976 5.786 1.00 1.00 H new ATOM 1086 N CYS A 69 -3.424 1.966 3.333 1.00 1.00 N ATOM 1087 CA CYS A 69 -4.464 2.630 2.570 1.00 1.00 C ATOM 1088 C CYS A 69 -3.863 3.574 1.524 1.00 1.00 C ATOM 1089 O CYS A 69 -2.730 4.036 1.651 1.00 1.00 O ATOM 1090 CB CYS A 69 -5.392 3.392 3.533 1.00 1.00 C ATOM 1091 SG CYS A 69 -4.744 5.057 3.852 1.00 1.00 S ATOM 0 H CYS A 69 -3.301 2.319 4.282 1.00 1.00 H new ATOM 0 HA CYS A 69 -5.045 1.880 2.032 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -6.393 3.460 3.106 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -5.482 2.844 4.471 1.00 1.00 H new ATOM 0 HG CYS A 69 -5.541 5.685 4.664 1.00 1.00 H new ATOM 1097 N GLU A 70 -4.644 3.835 0.488 1.00 1.00 N ATOM 1098 CA GLU A 70 -4.238 4.703 -0.609 1.00 1.00 C ATOM 1099 C GLU A 70 -3.955 6.118 -0.114 1.00 1.00 C ATOM 1100 O GLU A 70 -2.958 6.731 -0.499 1.00 1.00 O ATOM 1101 CB GLU A 70 -5.376 4.725 -1.625 1.00 1.00 C ATOM 1102 CG GLU A 70 -5.030 5.604 -2.826 1.00 1.00 C ATOM 1103 CD GLU A 70 -6.186 5.558 -3.813 1.00 1.00 C ATOM 1104 OE1 GLU A 70 -7.224 5.041 -3.444 1.00 1.00 O ATOM 1105 OE2 GLU A 70 -6.016 6.033 -4.918 1.00 1.00 O ATOM 0 H GLU A 70 -5.582 3.449 0.383 1.00 1.00 H new ATOM 0 HA GLU A 70 -3.320 4.325 -1.059 1.00 1.00 H new ATOM 0 HB2 GLU A 70 -5.585 3.710 -1.963 1.00 1.00 H new ATOM 0 HB3 GLU A 70 -6.284 5.096 -1.150 1.00 1.00 H new ATOM 0 HG2 GLU A 70 -4.849 6.629 -2.504 1.00 1.00 H new ATOM 0 HG3 GLU A 70 -4.114 5.252 -3.300 1.00 1.00 H new ATOM 1112 N ASP A 71 -4.827 6.625 0.746 1.00 1.00 N ATOM 1113 CA ASP A 71 -4.653 7.967 1.290 1.00 1.00 C ATOM 1114 C ASP A 71 -3.225 8.148 1.790 1.00 1.00 C ATOM 1115 O ASP A 71 -2.759 9.273 1.974 1.00 1.00 O ATOM 1116 CB ASP A 71 -5.636 8.212 2.437 1.00 1.00 C ATOM 1117 CG ASP A 71 -5.685 9.699 2.773 1.00 1.00 C ATOM 1118 OD1 ASP A 71 -5.262 10.489 1.944 1.00 1.00 O ATOM 1119 OD2 ASP A 71 -6.141 10.028 3.855 1.00 1.00 O ATOM 0 H ASP A 71 -5.656 6.133 1.081 1.00 1.00 H new ATOM 0 HA ASP A 71 -4.850 8.688 0.497 1.00 1.00 H new ATOM 0 HB2 ASP A 71 -6.629 7.861 2.157 1.00 1.00 H new ATOM 0 HB3 ASP A 71 -5.332 7.642 3.315 1.00 1.00 H new ATOM 1124 N PHE A 72 -2.533 7.028 1.987 1.00 1.00 N ATOM 1125 CA PHE A 72 -1.149 7.054 2.444 1.00 1.00 C ATOM 1126 C PHE A 72 -0.284 7.823 1.463 1.00 1.00 C ATOM 1127 O PHE A 72 0.574 8.606 1.863 1.00 1.00 O ATOM 1128 CB PHE A 72 -0.597 5.636 2.576 1.00 1.00 C ATOM 1129 CG PHE A 72 0.836 5.711 3.058 1.00 1.00 C ATOM 1130 CD1 PHE A 72 1.872 5.902 2.132 1.00 1.00 C ATOM 1131 CD2 PHE A 72 1.130 5.605 4.424 1.00 1.00 C ATOM 1132 CE1 PHE A 72 3.197 5.976 2.570 1.00 1.00 C ATOM 1133 CE2 PHE A 72 2.460 5.684 4.863 1.00 1.00 C ATOM 1134 CZ PHE A 72 3.493 5.868 3.936 1.00 1.00 C ATOM 0 H PHE A 72 -2.910 6.092 1.837 1.00 1.00 H new ATOM 0 HA PHE A 72 -1.129 7.544 3.418 1.00 1.00 H new ATOM 0 HB2 PHE A 72 -1.201 5.060 3.277 1.00 1.00 H new ATOM 0 HB3 PHE A 72 -0.646 5.122 1.616 1.00 1.00 H new ATOM 0 HD1 PHE A 72 1.646 5.992 1.080 1.00 1.00 H new ATOM 0 HD2 PHE A 72 0.333 5.463 5.139 1.00 1.00 H new ATOM 0 HE1 PHE A 72 3.994 6.117 1.855 1.00 1.00 H new ATOM 0 HE2 PHE A 72 2.687 5.603 5.916 1.00 1.00 H new ATOM 0 HZ PHE A 72 4.517 5.927 4.273 1.00 1.00 H new ATOM 1144 N LEU A 73 -0.500 7.583 0.177 1.00 1.00 N ATOM 1145 CA LEU A 73 0.298 8.247 -0.845 1.00 1.00 C ATOM 1146 C LEU A 73 0.143 9.755 -0.702 1.00 1.00 C ATOM 1147 O LEU A 73 1.115 10.503 -0.791 1.00 1.00 O ATOM 1148 CB LEU A 73 -0.191 7.829 -2.235 1.00 1.00 C ATOM 1149 CG LEU A 73 0.076 6.334 -2.460 1.00 1.00 C ATOM 1150 CD1 LEU A 73 -0.586 5.889 -3.772 1.00 1.00 C ATOM 1151 CD2 LEU A 73 1.590 6.058 -2.517 1.00 1.00 C ATOM 0 H LEU A 73 -1.210 6.943 -0.180 1.00 1.00 H new ATOM 0 HA LEU A 73 1.344 7.965 -0.724 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -1.257 8.035 -2.331 1.00 1.00 H new ATOM 0 HB3 LEU A 73 0.317 8.416 -3.000 1.00 1.00 H new ATOM 0 HG LEU A 73 -0.346 5.770 -1.628 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -0.397 4.828 -3.933 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -1.661 6.062 -3.714 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -0.171 6.461 -4.601 1.00 1.00 H new ATOM 0 HD21 LEU A 73 1.760 4.993 -2.677 1.00 1.00 H new ATOM 0 HD22 LEU A 73 2.032 6.623 -3.337 1.00 1.00 H new ATOM 0 HD23 LEU A 73 2.051 6.362 -1.577 1.00 1.00 H new ATOM 1163 N GLN A 74 -1.083 10.188 -0.460 1.00 1.00 N ATOM 1164 CA GLN A 74 -1.363 11.603 -0.280 1.00 1.00 C ATOM 1165 C GLN A 74 -0.719 12.111 1.006 1.00 1.00 C ATOM 1166 O GLN A 74 -0.227 13.237 1.067 1.00 1.00 O ATOM 1167 CB GLN A 74 -2.875 11.822 -0.203 1.00 1.00 C ATOM 1168 CG GLN A 74 -3.533 11.277 -1.471 1.00 1.00 C ATOM 1169 CD GLN A 74 -3.018 12.025 -2.692 1.00 1.00 C ATOM 1170 OE1 GLN A 74 -3.169 13.241 -2.789 1.00 1.00 O ATOM 1171 NE2 GLN A 74 -2.399 11.363 -3.629 1.00 1.00 N ATOM 0 H GLN A 74 -1.899 9.581 -0.384 1.00 1.00 H new ATOM 0 HA GLN A 74 -0.951 12.151 -1.128 1.00 1.00 H new ATOM 0 HB2 GLN A 74 -3.282 11.321 0.675 1.00 1.00 H new ATOM 0 HB3 GLN A 74 -3.095 12.884 -0.094 1.00 1.00 H new ATOM 0 HG2 GLN A 74 -3.321 10.213 -1.571 1.00 1.00 H new ATOM 0 HG3 GLN A 74 -4.616 11.381 -1.401 1.00 1.00 H new ATOM 0 HE21 GLN A 74 -2.276 10.354 -3.544 1.00 1.00 H new ATOM 0 HE22 GLN A 74 -2.038 11.854 -4.447 1.00 1.00 H new ATOM 1180 N ASP A 75 -0.758 11.283 2.043 1.00 1.00 N ATOM 1181 CA ASP A 75 -0.209 11.672 3.344 1.00 1.00 C ATOM 1182 C ASP A 75 1.294 11.936 3.277 1.00 1.00 C ATOM 1183 O ASP A 75 1.764 12.968 3.740 1.00 1.00 O ATOM 1184 CB ASP A 75 -0.484 10.570 4.370 1.00 1.00 C ATOM 1185 CG ASP A 75 -1.970 10.533 4.714 1.00 1.00 C ATOM 1186 OD1 ASP A 75 -2.651 11.502 4.426 1.00 1.00 O ATOM 1187 OD2 ASP A 75 -2.406 9.526 5.250 1.00 1.00 O ATOM 0 H ASP A 75 -1.159 10.346 2.014 1.00 1.00 H new ATOM 0 HA ASP A 75 -0.699 12.599 3.643 1.00 1.00 H new ATOM 0 HB2 ASP A 75 -0.171 9.605 3.971 1.00 1.00 H new ATOM 0 HB3 ASP A 75 0.102 10.748 5.272 1.00 1.00 H new ATOM 1192 N VAL A 76 2.058 11.021 2.697 1.00 1.00 N ATOM 1193 CA VAL A 76 3.495 11.243 2.607 1.00 1.00 C ATOM 1194 C VAL A 76 3.776 12.413 1.681 1.00 1.00 C ATOM 1195 O VAL A 76 4.656 13.236 1.942 1.00 1.00 O ATOM 1196 CB VAL A 76 4.225 9.997 2.105 1.00 1.00 C ATOM 1197 CG1 VAL A 76 4.120 8.889 3.151 1.00 1.00 C ATOM 1198 CG2 VAL A 76 3.615 9.524 0.784 1.00 1.00 C ATOM 0 H VAL A 76 1.723 10.146 2.294 1.00 1.00 H new ATOM 0 HA VAL A 76 3.865 11.468 3.607 1.00 1.00 H new ATOM 0 HB VAL A 76 5.274 10.241 1.939 1.00 1.00 H new ATOM 0 HG11 VAL A 76 4.640 8.001 2.793 1.00 1.00 H new ATOM 0 HG12 VAL A 76 4.574 9.225 4.083 1.00 1.00 H new ATOM 0 HG13 VAL A 76 3.071 8.650 3.324 1.00 1.00 H new ATOM 0 HG21 VAL A 76 4.143 8.636 0.437 1.00 1.00 H new ATOM 0 HG22 VAL A 76 2.562 9.284 0.934 1.00 1.00 H new ATOM 0 HG23 VAL A 76 3.704 10.314 0.038 1.00 1.00 H new ATOM 1208 N SER A 77 3.016 12.477 0.594 1.00 1.00 N ATOM 1209 CA SER A 77 3.184 13.553 -0.381 1.00 1.00 C ATOM 1210 C SER A 77 2.922 14.914 0.252 1.00 1.00 C ATOM 1211 O SER A 77 3.663 15.870 0.024 1.00 1.00 O ATOM 1212 CB SER A 77 2.227 13.347 -1.554 1.00 1.00 C ATOM 1213 OG SER A 77 2.593 12.171 -2.265 1.00 1.00 O ATOM 0 H SER A 77 2.284 11.805 0.365 1.00 1.00 H new ATOM 0 HA SER A 77 4.214 13.528 -0.736 1.00 1.00 H new ATOM 0 HB2 SER A 77 1.203 13.261 -1.191 1.00 1.00 H new ATOM 0 HB3 SER A 77 2.258 14.211 -2.218 1.00 1.00 H new ATOM 0 HG SER A 77 2.330 11.381 -1.748 1.00 1.00 H new ATOM 1219 N ALA A 78 1.860 14.996 1.049 1.00 1.00 N ATOM 1220 CA ALA A 78 1.496 16.247 1.715 1.00 1.00 C ATOM 1221 C ALA A 78 2.115 16.314 3.106 1.00 1.00 C ATOM 1222 O ALA A 78 3.021 17.104 3.355 1.00 1.00 O ATOM 1223 CB ALA A 78 -0.027 16.358 1.821 1.00 1.00 C ATOM 0 H ALA A 78 1.237 14.214 1.250 1.00 1.00 H new ATOM 0 HA ALA A 78 1.879 17.078 1.122 1.00 1.00 H new ATOM 0 HB1 ALA A 78 -0.290 17.292 2.318 1.00 1.00 H new ATOM 0 HB2 ALA A 78 -0.463 16.343 0.822 1.00 1.00 H new ATOM 0 HB3 ALA A 78 -0.414 15.518 2.398 1.00 1.00 H new ATOM 1229 N SER A 79 1.625 15.470 4.006 1.00 1.00 N ATOM 1230 CA SER A 79 2.150 15.440 5.365 1.00 1.00 C ATOM 1231 C SER A 79 3.543 14.822 5.355 1.00 1.00 C ATOM 1232 O SER A 79 3.801 13.875 4.613 1.00 1.00 O ATOM 1233 CB SER A 79 1.221 14.626 6.268 1.00 1.00 C ATOM 1234 OG SER A 79 0.049 15.383 6.537 1.00 1.00 O ATOM 0 H SER A 79 0.874 14.805 3.823 1.00 1.00 H new ATOM 0 HA SER A 79 2.209 16.457 5.752 1.00 1.00 H new ATOM 0 HB2 SER A 79 0.958 13.685 5.785 1.00 1.00 H new ATOM 0 HB3 SER A 79 1.728 14.375 7.200 1.00 1.00 H new ATOM 0 HG SER A 79 -0.550 14.865 7.114 1.00 1.00 H new ATOM 1240 N ALA A 80 4.448 15.364 6.172 1.00 1.00 N ATOM 1241 CA ALA A 80 5.818 14.855 6.231 1.00 1.00 C ATOM 1242 C ALA A 80 6.297 14.747 7.672 1.00 1.00 C ATOM 1243 O ALA A 80 7.192 15.478 8.097 1.00 1.00 O ATOM 1244 CB ALA A 80 6.750 15.785 5.449 1.00 1.00 C ATOM 0 H ALA A 80 4.259 16.148 6.796 1.00 1.00 H new ATOM 0 HA ALA A 80 5.833 13.860 5.786 1.00 1.00 H new ATOM 0 HB1 ALA A 80 7.769 15.402 5.496 1.00 1.00 H new ATOM 0 HB2 ALA A 80 6.428 15.833 4.409 1.00 1.00 H new ATOM 0 HB3 ALA A 80 6.717 16.783 5.885 1.00 1.00 H new ATOM 1250 N LYS A 81 5.696 13.819 8.417 1.00 1.00 N ATOM 1251 CA LYS A 81 6.063 13.594 9.816 1.00 1.00 C ATOM 1252 C LYS A 81 6.714 12.226 9.967 1.00 1.00 C ATOM 1253 O LYS A 81 7.409 11.762 9.062 1.00 1.00 O ATOM 1254 CB LYS A 81 4.828 13.734 10.715 1.00 1.00 C ATOM 1255 CG LYS A 81 3.752 12.729 10.314 1.00 1.00 C ATOM 1256 CD LYS A 81 2.517 12.942 11.197 1.00 1.00 C ATOM 1257 CE LYS A 81 1.428 11.948 10.803 1.00 1.00 C ATOM 1258 NZ LYS A 81 0.232 12.144 11.671 1.00 1.00 N ATOM 0 H LYS A 81 4.952 13.210 8.075 1.00 1.00 H new ATOM 0 HA LYS A 81 6.787 14.347 10.128 1.00 1.00 H new ATOM 0 HB2 LYS A 81 5.110 13.576 11.756 1.00 1.00 H new ATOM 0 HB3 LYS A 81 4.432 14.747 10.642 1.00 1.00 H new ATOM 0 HG2 LYS A 81 3.490 12.856 9.264 1.00 1.00 H new ATOM 0 HG3 LYS A 81 4.126 11.711 10.428 1.00 1.00 H new ATOM 0 HD2 LYS A 81 2.781 12.811 12.246 1.00 1.00 H new ATOM 0 HD3 LYS A 81 2.150 13.962 11.086 1.00 1.00 H new ATOM 0 HE2 LYS A 81 1.157 12.087 9.756 1.00 1.00 H new ATOM 0 HE3 LYS A 81 1.799 10.928 10.903 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -0.508 11.466 11.400 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 0.496 11.990 12.665 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -0.127 13.113 11.554 1.00 1.00 H new ATOM 1272 N SER A 82 6.526 11.602 11.109 1.00 1.00 N ATOM 1273 CA SER A 82 7.143 10.303 11.355 1.00 1.00 C ATOM 1274 C SER A 82 6.594 9.234 10.415 1.00 1.00 C ATOM 1275 O SER A 82 5.383 9.061 10.277 1.00 1.00 O ATOM 1276 CB SER A 82 6.927 9.887 12.809 1.00 1.00 C ATOM 1277 OG SER A 82 7.392 8.557 12.997 1.00 1.00 O ATOM 0 H SER A 82 5.960 11.961 11.877 1.00 1.00 H new ATOM 0 HA SER A 82 8.211 10.399 11.162 1.00 1.00 H new ATOM 0 HB2 SER A 82 7.458 10.567 13.475 1.00 1.00 H new ATOM 0 HB3 SER A 82 5.869 9.953 13.064 1.00 1.00 H new ATOM 0 HG SER A 82 7.255 8.291 13.930 1.00 1.00 H new ATOM 1283 N LEU A 83 7.511 8.517 9.779 1.00 1.00 N ATOM 1284 CA LEU A 83 7.154 7.445 8.855 1.00 1.00 C ATOM 1285 C LEU A 83 6.462 6.335 9.619 1.00 1.00 C ATOM 1286 O LEU A 83 5.475 5.752 9.170 1.00 1.00 O ATOM 1287 CB LEU A 83 8.434 6.885 8.245 1.00 1.00 C ATOM 1288 CG LEU A 83 9.098 7.932 7.332 1.00 1.00 C ATOM 1289 CD1 LEU A 83 10.595 7.630 7.239 1.00 1.00 C ATOM 1290 CD2 LEU A 83 8.494 7.876 5.919 1.00 1.00 C ATOM 0 H LEU A 83 8.515 8.659 9.886 1.00 1.00 H new ATOM 0 HA LEU A 83 6.493 7.830 8.078 1.00 1.00 H new ATOM 0 HB2 LEU A 83 9.124 6.594 9.037 1.00 1.00 H new ATOM 0 HB3 LEU A 83 8.208 5.985 7.673 1.00 1.00 H new ATOM 0 HG LEU A 83 8.930 8.924 7.752 1.00 1.00 H new ATOM 0 HD11 LEU A 83 11.075 8.366 6.594 1.00 1.00 H new ATOM 0 HD12 LEU A 83 11.038 7.675 8.234 1.00 1.00 H new ATOM 0 HD13 LEU A 83 10.740 6.633 6.822 1.00 1.00 H new ATOM 0 HD21 LEU A 83 8.975 8.623 5.288 1.00 1.00 H new ATOM 0 HD22 LEU A 83 8.653 6.885 5.494 1.00 1.00 H new ATOM 0 HD23 LEU A 83 7.425 8.081 5.972 1.00 1.00 H new ATOM 1302 N GLN A 84 7.030 6.055 10.778 1.00 1.00 N ATOM 1303 CA GLN A 84 6.533 5.007 11.653 1.00 1.00 C ATOM 1304 C GLN A 84 5.127 5.321 12.135 1.00 1.00 C ATOM 1305 O GLN A 84 4.280 4.437 12.209 1.00 1.00 O ATOM 1306 CB GLN A 84 7.471 4.890 12.857 1.00 1.00 C ATOM 1307 CG GLN A 84 8.710 4.103 12.450 1.00 1.00 C ATOM 1308 CD GLN A 84 9.417 4.797 11.291 1.00 1.00 C ATOM 1309 OE1 GLN A 84 10.069 5.824 11.482 1.00 1.00 O ATOM 1310 NE2 GLN A 84 9.315 4.298 10.088 1.00 1.00 N ATOM 0 H GLN A 84 7.848 6.546 11.139 1.00 1.00 H new ATOM 0 HA GLN A 84 6.501 4.068 11.100 1.00 1.00 H new ATOM 0 HB2 GLN A 84 7.755 5.881 13.210 1.00 1.00 H new ATOM 0 HB3 GLN A 84 6.963 4.391 13.682 1.00 1.00 H new ATOM 0 HG2 GLN A 84 9.388 4.014 13.299 1.00 1.00 H new ATOM 0 HG3 GLN A 84 8.428 3.091 12.160 1.00 1.00 H new ATOM 0 HE21 GLN A 84 8.774 3.447 9.933 1.00 1.00 H new ATOM 0 HE22 GLN A 84 9.776 4.759 9.304 1.00 1.00 H new ATOM 1319 N GLU A 85 4.887 6.577 12.473 1.00 1.00 N ATOM 1320 CA GLU A 85 3.575 6.978 12.958 1.00 1.00 C ATOM 1321 C GLU A 85 2.535 6.848 11.852 1.00 1.00 C ATOM 1322 O GLU A 85 1.398 6.455 12.103 1.00 1.00 O ATOM 1323 CB GLU A 85 3.609 8.422 13.461 1.00 1.00 C ATOM 1324 CG GLU A 85 2.271 8.764 14.120 1.00 1.00 C ATOM 1325 CD GLU A 85 2.304 10.195 14.646 1.00 1.00 C ATOM 1326 OE1 GLU A 85 3.389 10.740 14.754 1.00 1.00 O ATOM 1327 OE2 GLU A 85 1.243 10.730 14.918 1.00 1.00 O ATOM 0 H GLU A 85 5.574 7.329 12.422 1.00 1.00 H new ATOM 0 HA GLU A 85 3.302 6.319 13.783 1.00 1.00 H new ATOM 0 HB2 GLU A 85 4.422 8.550 14.176 1.00 1.00 H new ATOM 0 HB3 GLU A 85 3.803 9.103 12.632 1.00 1.00 H new ATOM 0 HG2 GLU A 85 1.461 8.650 13.400 1.00 1.00 H new ATOM 0 HG3 GLU A 85 2.070 8.071 14.937 1.00 1.00 H new ATOM 1334 N LEU A 86 2.925 7.190 10.627 1.00 1.00 N ATOM 1335 CA LEU A 86 2.003 7.111 9.502 1.00 1.00 C ATOM 1336 C LEU A 86 1.556 5.676 9.254 1.00 1.00 C ATOM 1337 O LEU A 86 0.377 5.424 9.026 1.00 1.00 O ATOM 1338 CB LEU A 86 2.679 7.643 8.226 1.00 1.00 C ATOM 1339 CG LEU A 86 2.876 9.167 8.287 1.00 1.00 C ATOM 1340 CD1 LEU A 86 3.811 9.590 7.146 1.00 1.00 C ATOM 1341 CD2 LEU A 86 1.530 9.892 8.122 1.00 1.00 C ATOM 0 H LEU A 86 3.861 7.520 10.391 1.00 1.00 H new ATOM 0 HA LEU A 86 1.131 7.718 9.748 1.00 1.00 H new ATOM 0 HB2 LEU A 86 3.645 7.155 8.094 1.00 1.00 H new ATOM 0 HB3 LEU A 86 2.072 7.388 7.358 1.00 1.00 H new ATOM 0 HG LEU A 86 3.304 9.432 9.254 1.00 1.00 H new ATOM 0 HD11 LEU A 86 3.959 10.669 7.178 1.00 1.00 H new ATOM 0 HD12 LEU A 86 4.772 9.088 7.258 1.00 1.00 H new ATOM 0 HD13 LEU A 86 3.367 9.313 6.190 1.00 1.00 H new ATOM 0 HD21 LEU A 86 1.689 10.969 8.168 1.00 1.00 H new ATOM 0 HD22 LEU A 86 1.092 9.631 7.159 1.00 1.00 H new ATOM 0 HD23 LEU A 86 0.854 9.591 8.922 1.00 1.00 H new ATOM 1353 N LEU A 87 2.497 4.737 9.294 1.00 1.00 N ATOM 1354 CA LEU A 87 2.162 3.335 9.058 1.00 1.00 C ATOM 1355 C LEU A 87 1.681 2.681 10.343 1.00 1.00 C ATOM 1356 O LEU A 87 1.174 1.569 10.326 1.00 1.00 O ATOM 1357 CB LEU A 87 3.375 2.588 8.464 1.00 1.00 C ATOM 1358 CG LEU A 87 4.524 2.456 9.500 1.00 1.00 C ATOM 1359 CD1 LEU A 87 4.469 1.102 10.218 1.00 1.00 C ATOM 1360 CD2 LEU A 87 5.881 2.568 8.794 1.00 1.00 C ATOM 0 H LEU A 87 3.483 4.916 9.484 1.00 1.00 H new ATOM 0 HA LEU A 87 1.349 3.282 8.334 1.00 1.00 H new ATOM 0 HB2 LEU A 87 3.067 1.596 8.133 1.00 1.00 H new ATOM 0 HB3 LEU A 87 3.736 3.120 7.584 1.00 1.00 H new ATOM 0 HG LEU A 87 4.404 3.257 10.229 1.00 1.00 H new ATOM 0 HD11 LEU A 87 5.286 1.038 10.937 1.00 1.00 H new ATOM 0 HD12 LEU A 87 3.517 1.005 10.740 1.00 1.00 H new ATOM 0 HD13 LEU A 87 4.565 0.299 9.488 1.00 1.00 H new ATOM 0 HD21 LEU A 87 6.682 2.474 9.528 1.00 1.00 H new ATOM 0 HD22 LEU A 87 5.973 1.773 8.054 1.00 1.00 H new ATOM 0 HD23 LEU A 87 5.954 3.536 8.298 1.00 1.00 H new ATOM 1372 N SER A 88 1.820 3.392 11.454 1.00 1.00 N ATOM 1373 CA SER A 88 1.362 2.868 12.736 1.00 1.00 C ATOM 1374 C SER A 88 -0.146 2.672 12.719 1.00 1.00 C ATOM 1375 O SER A 88 -0.663 1.674 13.222 1.00 1.00 O ATOM 1376 CB SER A 88 1.721 3.823 13.876 1.00 1.00 C ATOM 1377 OG SER A 88 1.293 3.258 15.107 1.00 1.00 O ATOM 0 H SER A 88 2.240 4.321 11.496 1.00 1.00 H new ATOM 0 HA SER A 88 1.858 1.911 12.898 1.00 1.00 H new ATOM 0 HB2 SER A 88 2.797 3.997 13.896 1.00 1.00 H new ATOM 0 HB3 SER A 88 1.244 4.791 13.720 1.00 1.00 H new ATOM 0 HG SER A 88 1.521 3.864 15.842 1.00 1.00 H new ATOM 1383 N ALA A 89 -0.856 3.656 12.160 1.00 1.00 N ATOM 1384 CA ALA A 89 -2.322 3.611 12.107 1.00 1.00 C ATOM 1385 C ALA A 89 -2.836 3.263 10.712 1.00 1.00 C ATOM 1386 O ALA A 89 -3.773 2.475 10.566 1.00 1.00 O ATOM 1387 CB ALA A 89 -2.879 4.977 12.516 1.00 1.00 C ATOM 0 H ALA A 89 -0.444 4.489 11.740 1.00 1.00 H new ATOM 0 HA ALA A 89 -2.657 2.832 12.791 1.00 1.00 H new ATOM 0 HB1 ALA A 89 -3.968 4.952 12.479 1.00 1.00 H new ATOM 0 HB2 ALA A 89 -2.556 5.213 13.530 1.00 1.00 H new ATOM 0 HB3 ALA A 89 -2.510 5.740 11.831 1.00 1.00 H new ATOM 1393 N HIS A 90 -2.246 3.872 9.692 1.00 1.00 N ATOM 1394 CA HIS A 90 -2.686 3.636 8.322 1.00 1.00 C ATOM 1395 C HIS A 90 -2.579 2.161 7.952 1.00 1.00 C ATOM 1396 O HIS A 90 -3.470 1.616 7.303 1.00 1.00 O ATOM 1397 CB HIS A 90 -1.853 4.471 7.352 1.00 1.00 C ATOM 1398 CG HIS A 90 -2.034 5.929 7.669 1.00 1.00 C ATOM 1399 ND1 HIS A 90 -3.220 6.442 8.174 1.00 1.00 N ATOM 1400 CD2 HIS A 90 -1.185 7.005 7.543 1.00 1.00 C ATOM 1401 CE1 HIS A 90 -3.054 7.768 8.330 1.00 1.00 C ATOM 1402 NE2 HIS A 90 -1.831 8.162 7.961 1.00 1.00 N ATOM 0 H HIS A 90 -1.469 4.527 9.784 1.00 1.00 H new ATOM 0 HA HIS A 90 -3.733 3.931 8.252 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -0.801 4.198 7.430 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -2.159 4.270 6.325 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -0.171 6.957 7.175 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -3.816 8.433 8.708 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -1.453 9.109 7.982 1.00 1.00 H new ATOM 1411 N SER A 91 -1.491 1.514 8.365 1.00 1.00 N ATOM 1412 CA SER A 91 -1.298 0.111 8.064 1.00 1.00 C ATOM 1413 C SER A 91 -2.459 -0.699 8.571 1.00 1.00 C ATOM 1414 O SER A 91 -2.553 -1.034 9.753 1.00 1.00 O ATOM 1415 CB SER A 91 -0.034 -0.421 8.712 1.00 1.00 C ATOM 1416 OG SER A 91 1.096 0.271 8.199 1.00 1.00 O ATOM 0 H SER A 91 -0.739 1.942 8.905 1.00 1.00 H new ATOM 0 HA SER A 91 -1.218 0.022 6.981 1.00 1.00 H new ATOM 0 HB2 SER A 91 -0.088 -0.297 9.794 1.00 1.00 H new ATOM 0 HB3 SER A 91 0.063 -1.489 8.519 1.00 1.00 H new ATOM 0 HG SER A 91 1.548 0.744 8.928 1.00 1.00 H new ATOM 1422 N LEU A 92 -3.317 -1.027 7.653 1.00 1.00 N ATOM 1423 CA LEU A 92 -4.482 -1.828 7.945 1.00 1.00 C ATOM 1424 C LEU A 92 -4.025 -3.212 8.406 1.00 1.00 C ATOM 1425 O LEU A 92 -4.652 -3.833 9.263 1.00 1.00 O ATOM 1426 CB LEU A 92 -5.357 -1.944 6.688 1.00 1.00 C ATOM 1427 CG LEU A 92 -5.643 -0.547 6.100 1.00 1.00 C ATOM 1428 CD1 LEU A 92 -6.185 -0.699 4.677 1.00 1.00 C ATOM 1429 CD2 LEU A 92 -6.705 0.170 6.942 1.00 1.00 C ATOM 0 H LEU A 92 -3.235 -0.749 6.675 1.00 1.00 H new ATOM 0 HA LEU A 92 -5.071 -1.360 8.734 1.00 1.00 H new ATOM 0 HB2 LEU A 92 -4.855 -2.563 5.944 1.00 1.00 H new ATOM 0 HB3 LEU A 92 -6.295 -2.440 6.935 1.00 1.00 H new ATOM 0 HG LEU A 92 -4.718 0.030 6.099 1.00 1.00 H new ATOM 0 HD11 LEU A 92 -6.388 0.286 4.258 1.00 1.00 H new ATOM 0 HD12 LEU A 92 -5.447 -1.211 4.059 1.00 1.00 H new ATOM 0 HD13 LEU A 92 -7.106 -1.281 4.699 1.00 1.00 H new ATOM 0 HD21 LEU A 92 -6.900 1.155 6.519 1.00 1.00 H new ATOM 0 HD22 LEU A 92 -7.625 -0.414 6.941 1.00 1.00 H new ATOM 0 HD23 LEU A 92 -6.345 0.279 7.965 1.00 1.00 H new ATOM 1441 N SER A 93 -2.924 -3.690 7.817 1.00 1.00 N ATOM 1442 CA SER A 93 -2.383 -5.011 8.163 1.00 1.00 C ATOM 1443 C SER A 93 -1.363 -4.935 9.297 1.00 1.00 C ATOM 1444 O SER A 93 -0.889 -3.860 9.660 1.00 1.00 O ATOM 1445 CB SER A 93 -1.717 -5.632 6.938 1.00 1.00 C ATOM 1446 OG SER A 93 -0.842 -4.678 6.361 1.00 1.00 O ATOM 0 H SER A 93 -2.393 -3.188 7.105 1.00 1.00 H new ATOM 0 HA SER A 93 -3.218 -5.626 8.498 1.00 1.00 H new ATOM 0 HB2 SER A 93 -1.164 -6.528 7.222 1.00 1.00 H new ATOM 0 HB3 SER A 93 -2.471 -5.939 6.213 1.00 1.00 H new ATOM 0 HG SER A 93 -0.585 -4.018 7.038 1.00 1.00 H new ATOM 1452 N SER A 94 -1.018 -6.111 9.828 1.00 1.00 N ATOM 1453 CA SER A 94 -0.030 -6.224 10.904 1.00 1.00 C ATOM 1454 C SER A 94 1.017 -7.273 10.523 1.00 1.00 C ATOM 1455 O SER A 94 1.548 -7.981 11.378 1.00 1.00 O ATOM 1456 CB SER A 94 -0.719 -6.631 12.212 1.00 1.00 C ATOM 1457 OG SER A 94 0.115 -6.277 13.306 1.00 1.00 O ATOM 0 H SER A 94 -1.411 -7.003 9.528 1.00 1.00 H new ATOM 0 HA SER A 94 0.455 -5.259 11.048 1.00 1.00 H new ATOM 0 HB2 SER A 94 -1.685 -6.133 12.299 1.00 1.00 H new ATOM 0 HB3 SER A 94 -0.912 -7.704 12.218 1.00 1.00 H new ATOM 0 HG SER A 94 1.000 -6.681 13.187 1.00 1.00 H new ATOM 1463 N TRP A 95 1.295 -7.367 9.222 1.00 1.00 N ATOM 1464 CA TRP A 95 2.268 -8.332 8.700 1.00 1.00 C ATOM 1465 C TRP A 95 3.120 -7.696 7.610 1.00 1.00 C ATOM 1466 O TRP A 95 2.804 -6.619 7.116 1.00 1.00 O ATOM 1467 CB TRP A 95 1.534 -9.564 8.161 1.00 1.00 C ATOM 1468 CG TRP A 95 0.810 -9.226 6.898 1.00 1.00 C ATOM 1469 CD1 TRP A 95 1.388 -9.060 5.688 1.00 1.00 C ATOM 1470 CD2 TRP A 95 -0.620 -9.017 6.702 1.00 1.00 C ATOM 1471 NE1 TRP A 95 0.404 -8.765 4.760 1.00 1.00 N ATOM 1472 CE2 TRP A 95 -0.852 -8.726 5.340 1.00 1.00 C ATOM 1473 CE3 TRP A 95 -1.722 -9.054 7.573 1.00 1.00 C ATOM 1474 CZ2 TRP A 95 -2.135 -8.483 4.851 1.00 1.00 C ATOM 1475 CZ3 TRP A 95 -3.015 -8.809 7.089 1.00 1.00 C ATOM 1476 CH2 TRP A 95 -3.223 -8.522 5.731 1.00 1.00 C ATOM 0 H TRP A 95 0.859 -6.785 8.507 1.00 1.00 H new ATOM 0 HA TRP A 95 2.931 -8.641 9.509 1.00 1.00 H new ATOM 0 HB2 TRP A 95 2.246 -10.368 7.976 1.00 1.00 H new ATOM 0 HB3 TRP A 95 0.828 -9.930 8.906 1.00 1.00 H new ATOM 0 HD1 TRP A 95 2.444 -9.144 5.479 1.00 1.00 H new ATOM 0 HE1 TRP A 95 0.583 -8.597 3.770 1.00 1.00 H new ATOM 0 HE3 TRP A 95 -1.572 -9.272 8.620 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 -2.288 -8.267 3.804 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 -3.856 -8.841 7.766 1.00 1.00 H new ATOM 0 HH2 TRP A 95 -4.221 -8.331 5.365 1.00 1.00 H new ATOM 1487 N GLY A 96 4.219 -8.357 7.265 1.00 1.00 N ATOM 1488 CA GLY A 96 5.140 -7.840 6.257 1.00 1.00 C ATOM 1489 C GLY A 96 6.566 -8.231 6.608 1.00 1.00 C ATOM 1490 O GLY A 96 7.376 -7.377 6.965 1.00 1.00 O ATOM 0 H GLY A 96 4.495 -9.252 7.668 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.877 -8.234 5.275 1.00 1.00 H new ATOM 0 HA3 GLY A 96 5.056 -6.755 6.198 1.00 1.00 H new ATOM 1494 N ALA A 97 6.832 -9.542 6.519 1.00 1.00 N ATOM 1495 CA ALA A 97 8.141 -10.135 6.831 1.00 1.00 C ATOM 1496 C ALA A 97 8.082 -10.789 8.207 1.00 1.00 C ATOM 1497 O ALA A 97 8.975 -10.620 9.036 1.00 1.00 O ATOM 1498 CB ALA A 97 9.271 -9.101 6.793 1.00 1.00 C ATOM 0 H ALA A 97 6.137 -10.228 6.225 1.00 1.00 H new ATOM 0 HA ALA A 97 8.361 -10.880 6.067 1.00 1.00 H new ATOM 0 HB1 ALA A 97 10.217 -9.587 7.030 1.00 1.00 H new ATOM 0 HB2 ALA A 97 9.328 -8.661 5.797 1.00 1.00 H new ATOM 0 HB3 ALA A 97 9.072 -8.318 7.525 1.00 1.00 H new