USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 939 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 70 HIS : no HE2:sc= -0.316 K(o=-0.85,f=-4.7) USER MOD Set 1.2: A 95 HIS : no HE2:sc= -0.689 K(o=-0.85,f=-2.2) USER MOD Set 1.3: A 99 LYS NZ :NH3+ -164:sc= 0.152 (180deg=-0.245) USER MOD Set 2.1: A 60 ASN : amide:sc= -1.84! K(o=-6.1!,f=-0.6) USER MOD Set 2.2: A 72 ASN : amide:sc= -4.3! K(o=-6.1!,f=0.018) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 MET CE :methyl -177:sc= -0.317 (180deg=-0.341) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.0524 K(o=-0.097,f=-0.99) USER MOD Set 4.2: A 11 ASN : amide:sc= -0.045 X(o=-0.097,f=0) USER MOD Set 5.1: A 2 GLN : amide:sc= 0.669 K(o=0.59,f=-2.3) USER MOD Set 5.2: A 6 LYS NZ :NH3+ 177:sc= -0.0824 (180deg=-0.0786) USER MOD Single : A 5 MET CE :methyl -178:sc= 0 (180deg=-0.00465) USER MOD Single : A 9 SER OG : rot -35:sc= 0.103 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -143:sc= 1.23 (180deg=0.206) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -162:sc= -1.11 (180deg=-1.61) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 30 ASN : amide:sc= -0.0842 K(o=-0.084,f=-0.75) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 1.44 K(o=1.4,f=-0.79) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 9:sc= 1.27 USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= 0.0139 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0.505 K(o=0.51,f=-0.13) USER MOD Single : A 48 THR OG1 : rot -84:sc= 1.23 USER MOD Single : A 53 MET CE :methyl 146:sc= -0.244 (180deg=-1.65) USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 2.37 (180deg=2.23) USER MOD Single : A 69 HIS : no HD1:sc= -0.081 K(o=-0.081,f=-4.1!) USER MOD Single : A 74 MET CE :methyl -113:sc= -0.178 (180deg=-2.03) USER MOD Single : A 78 LYS NZ :NH3+ -156:sc= -0.0994 (180deg=-0.513) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-5.9!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -146:sc= -0.191 (180deg=-2.89!) USER MOD Single : A 88 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.53) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 94:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.06) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 34:sc= 0.54 USER MOD Single : A 116 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 119 LYS NZ :NH3+ 172:sc= 1.18 (180deg=1.12) USER MOD Single : A 123 HIS : no HD1:sc= -0.453 X(o=-0.45,f=0.0036) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.128 K(o=-0.13,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 12 N GLN A 2 12.531 -10.277 2.947 1.00 0.00 N ATOM 13 CA GLN A 2 11.098 -10.511 3.099 1.00 0.00 C ATOM 14 C GLN A 2 10.623 -10.305 4.538 1.00 0.00 C ATOM 15 O GLN A 2 9.488 -9.869 4.707 1.00 0.00 O ATOM 16 CB GLN A 2 10.697 -11.935 2.722 1.00 0.00 C ATOM 17 CG GLN A 2 10.797 -12.354 1.255 1.00 0.00 C ATOM 18 CD GLN A 2 9.947 -13.595 0.965 1.00 0.00 C ATOM 19 OE1 GLN A 2 9.394 -14.225 1.870 1.00 0.00 O ATOM 20 NE2 GLN A 2 9.819 -13.978 -0.292 1.00 0.00 N ATOM 0 HA GLN A 2 10.634 -9.787 2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.313 -12.619 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.665 -12.085 3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 2 10.471 -11.532 0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.838 -12.558 1.004 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.279 -13.452 -1.035 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.260 -14.800 -0.520 1.00 0.00 H new ATOM 29 N GLU A 3 11.436 -10.634 5.553 1.00 0.00 N ATOM 30 CA GLU A 3 11.043 -10.571 6.966 1.00 0.00 C ATOM 31 C GLU A 3 10.407 -9.213 7.267 1.00 0.00 C ATOM 32 O GLU A 3 9.316 -9.092 7.830 1.00 0.00 O ATOM 33 CB GLU A 3 12.276 -10.810 7.873 1.00 0.00 C ATOM 34 CG GLU A 3 11.832 -10.924 9.341 1.00 0.00 C ATOM 35 CD GLU A 3 12.917 -11.159 10.406 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.052 -10.627 10.302 1.00 0.00 O ATOM 37 OE2 GLU A 3 12.581 -11.783 11.444 1.00 0.00 O ATOM 0 H GLU A 3 12.394 -10.954 5.413 1.00 0.00 H new ATOM 0 HA GLU A 3 10.311 -11.352 7.170 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.791 -11.721 7.568 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.985 -9.990 7.761 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.301 -10.009 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.113 -11.740 9.410 1.00 0.00 H new ATOM 44 N VAL A 4 11.122 -8.174 6.857 1.00 0.00 N ATOM 45 CA VAL A 4 10.766 -6.796 7.075 1.00 0.00 C ATOM 46 C VAL A 4 9.691 -6.336 6.101 1.00 0.00 C ATOM 47 O VAL A 4 8.778 -5.617 6.495 1.00 0.00 O ATOM 48 CB VAL A 4 12.056 -5.989 7.023 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.852 -6.099 5.737 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.764 -4.530 7.355 1.00 0.00 C ATOM 0 H VAL A 4 11.997 -8.282 6.345 1.00 0.00 H new ATOM 0 HA VAL A 4 10.307 -6.648 8.052 1.00 0.00 H new ATOM 0 HB VAL A 4 12.705 -6.437 7.776 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.749 -5.484 5.811 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.137 -7.138 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.243 -5.753 4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.690 -3.956 7.317 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.057 -4.127 6.631 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.337 -4.463 8.355 1.00 0.00 H new ATOM 60 N MET A 5 9.771 -6.773 4.845 1.00 0.00 N ATOM 61 CA MET A 5 8.775 -6.485 3.817 1.00 0.00 C ATOM 62 C MET A 5 7.383 -6.918 4.299 1.00 0.00 C ATOM 63 O MET A 5 6.433 -6.135 4.246 1.00 0.00 O ATOM 64 CB MET A 5 9.183 -7.160 2.497 1.00 0.00 C ATOM 65 CG MET A 5 8.682 -6.423 1.261 1.00 0.00 C ATOM 66 SD MET A 5 6.954 -6.770 0.843 1.00 0.00 S ATOM 67 CE MET A 5 6.287 -5.112 1.056 1.00 0.00 C ATOM 0 H MET A 5 10.544 -7.347 4.509 1.00 0.00 H new ATOM 0 HA MET A 5 8.727 -5.412 3.631 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.270 -7.230 2.454 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.797 -8.179 2.484 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.798 -5.351 1.418 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.311 -6.690 0.412 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.212 -5.126 0.876 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.480 -4.770 2.073 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.765 -4.434 0.349 1.00 0.00 H new ATOM 77 N LYS A 6 7.260 -8.125 4.861 1.00 0.00 N ATOM 78 CA LYS A 6 6.006 -8.594 5.437 1.00 0.00 C ATOM 79 C LYS A 6 5.562 -7.694 6.581 1.00 0.00 C ATOM 80 O LYS A 6 4.385 -7.340 6.606 1.00 0.00 O ATOM 81 CB LYS A 6 6.103 -10.060 5.884 1.00 0.00 C ATOM 82 CG LYS A 6 6.045 -10.992 4.667 1.00 0.00 C ATOM 83 CD LYS A 6 5.869 -12.460 5.079 1.00 0.00 C ATOM 84 CE LYS A 6 5.661 -13.340 3.841 1.00 0.00 C ATOM 85 NZ LYS A 6 6.872 -13.400 2.998 1.00 0.00 N ATOM 0 H LYS A 6 8.025 -8.797 4.927 1.00 0.00 H new ATOM 0 HA LYS A 6 5.246 -8.544 4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.033 -10.220 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.288 -10.293 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.219 -10.695 4.021 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.960 -10.886 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.747 -12.798 5.630 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.015 -12.557 5.750 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.386 -14.347 4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.829 -12.950 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.707 -14.045 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.091 -12.450 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.672 -13.748 3.564 1.00 0.00 H new ATOM 99 N ASN A 7 6.444 -7.323 7.510 1.00 0.00 N ATOM 100 CA ASN A 7 6.051 -6.472 8.634 1.00 0.00 C ATOM 101 C ASN A 7 5.652 -5.070 8.195 1.00 0.00 C ATOM 102 O ASN A 7 4.777 -4.454 8.798 1.00 0.00 O ATOM 103 CB ASN A 7 7.207 -6.318 9.618 1.00 0.00 C ATOM 104 CG ASN A 7 6.726 -5.657 10.906 1.00 0.00 C ATOM 105 OD1 ASN A 7 5.609 -5.903 11.347 1.00 0.00 O ATOM 106 ND2 ASN A 7 7.504 -4.796 11.534 1.00 0.00 N ATOM 0 H ASN A 7 7.427 -7.595 7.507 1.00 0.00 H new ATOM 0 HA ASN A 7 5.195 -6.965 9.095 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.635 -7.295 9.841 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.998 -5.719 9.168 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.175 -4.337 12.384 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.434 -4.589 11.170 1.00 0.00 H new ATOM 113 N LEU A 8 6.289 -4.543 7.152 1.00 0.00 N ATOM 114 CA LEU A 8 5.928 -3.273 6.544 1.00 0.00 C ATOM 115 C LEU A 8 4.509 -3.393 6.008 1.00 0.00 C ATOM 116 O LEU A 8 3.638 -2.623 6.404 1.00 0.00 O ATOM 117 CB LEU A 8 6.918 -2.919 5.424 1.00 0.00 C ATOM 118 CG LEU A 8 8.207 -2.262 5.935 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.285 -2.275 4.847 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.952 -0.812 6.358 1.00 0.00 C ATOM 0 H LEU A 8 7.083 -4.997 6.701 1.00 0.00 H new ATOM 0 HA LEU A 8 5.972 -2.471 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.174 -3.826 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.431 -2.246 4.718 1.00 0.00 H new ATOM 0 HG LEU A 8 8.547 -2.835 6.797 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.192 -1.805 5.228 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.502 -3.304 4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.929 -1.725 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.881 -0.369 6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.584 -0.243 5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.209 -0.791 7.155 1.00 0.00 H new ATOM 132 N SER A 9 4.250 -4.418 5.195 1.00 0.00 N ATOM 133 CA SER A 9 2.933 -4.759 4.665 1.00 0.00 C ATOM 134 C SER A 9 1.941 -5.197 5.767 1.00 0.00 C ATOM 135 O SER A 9 0.792 -5.516 5.463 1.00 0.00 O ATOM 136 CB SER A 9 3.139 -5.824 3.575 1.00 0.00 C ATOM 137 OG SER A 9 1.994 -6.004 2.765 1.00 0.00 O ATOM 0 H SER A 9 4.980 -5.056 4.877 1.00 0.00 H new ATOM 0 HA SER A 9 2.464 -3.877 4.229 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.982 -5.537 2.947 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.400 -6.773 4.044 1.00 0.00 H new ATOM 0 HG SER A 9 1.187 -5.887 3.309 1.00 0.00 H new ATOM 143 N LEU A 10 2.348 -5.233 7.040 1.00 0.00 N ATOM 144 CA LEU A 10 1.486 -5.512 8.180 1.00 0.00 C ATOM 145 C LEU A 10 1.135 -4.202 8.869 1.00 0.00 C ATOM 146 O LEU A 10 -0.035 -3.853 9.006 1.00 0.00 O ATOM 147 CB LEU A 10 2.172 -6.499 9.141 1.00 0.00 C ATOM 148 CG LEU A 10 1.221 -6.945 10.262 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.272 -8.047 9.782 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.005 -7.392 11.493 1.00 0.00 C ATOM 0 H LEU A 10 3.317 -5.063 7.308 1.00 0.00 H new ATOM 0 HA LEU A 10 0.563 -5.983 7.843 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.515 -7.371 8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.055 -6.031 9.576 1.00 0.00 H new ATOM 0 HG LEU A 10 0.611 -6.087 10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.388 -8.340 10.599 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.325 -7.676 8.949 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.852 -8.910 9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.311 -7.703 12.273 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.652 -8.228 11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.613 -6.564 11.858 1.00 0.00 H new ATOM 162 N ASN A 11 2.158 -3.467 9.296 1.00 0.00 N ATOM 163 CA ASN A 11 2.047 -2.188 9.989 1.00 0.00 C ATOM 164 C ASN A 11 1.417 -1.114 9.119 1.00 0.00 C ATOM 165 O ASN A 11 0.780 -0.190 9.625 1.00 0.00 O ATOM 166 CB ASN A 11 3.434 -1.729 10.417 1.00 0.00 C ATOM 167 CG ASN A 11 3.772 -2.237 11.804 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.352 -1.665 12.805 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.465 -3.353 11.889 1.00 0.00 N ATOM 0 H ASN A 11 3.126 -3.759 9.163 1.00 0.00 H new ATOM 0 HA ASN A 11 1.401 -2.337 10.854 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.176 -2.088 9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.480 -0.640 10.404 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.664 -3.762 12.802 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.803 -3.809 11.042 1.00 0.00 H new ATOM 176 N PHE A 12 1.575 -1.233 7.805 1.00 0.00 N ATOM 177 CA PHE A 12 0.838 -0.442 6.849 1.00 0.00 C ATOM 178 C PHE A 12 -0.664 -0.659 7.071 1.00 0.00 C ATOM 179 O PHE A 12 -1.390 0.296 7.325 1.00 0.00 O ATOM 180 CB PHE A 12 1.294 -0.829 5.450 1.00 0.00 C ATOM 181 CG PHE A 12 0.559 -0.070 4.370 1.00 0.00 C ATOM 182 CD1 PHE A 12 0.875 1.284 4.158 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.459 -0.682 3.615 1.00 0.00 C ATOM 184 CE1 PHE A 12 0.179 2.025 3.192 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.156 0.065 2.648 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.835 1.418 2.439 1.00 0.00 C ATOM 0 H PHE A 12 2.227 -1.891 7.378 1.00 0.00 H new ATOM 0 HA PHE A 12 1.029 0.624 6.976 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.364 -0.643 5.356 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.142 -1.899 5.305 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.654 1.754 4.740 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.704 -1.721 3.777 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.425 3.064 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.938 -0.401 2.066 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.371 1.991 1.697 1.00 0.00 H new ATOM 196 N GLY A 13 -1.120 -1.914 7.089 1.00 0.00 N ATOM 197 CA GLY A 13 -2.494 -2.315 7.367 1.00 0.00 C ATOM 198 C GLY A 13 -2.851 -2.343 8.857 1.00 0.00 C ATOM 199 O GLY A 13 -3.716 -3.133 9.242 1.00 0.00 O ATOM 0 H GLY A 13 -0.511 -2.711 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.171 -1.631 6.856 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.664 -3.306 6.946 1.00 0.00 H new ATOM 203 N LYS A 14 -2.196 -1.543 9.711 1.00 0.00 N ATOM 204 CA LYS A 14 -2.544 -1.427 11.129 1.00 0.00 C ATOM 205 C LYS A 14 -3.902 -0.777 11.289 1.00 0.00 C ATOM 206 O LYS A 14 -4.824 -1.442 11.751 1.00 0.00 O ATOM 207 CB LYS A 14 -1.470 -0.651 11.906 1.00 0.00 C ATOM 208 CG LYS A 14 -0.389 -1.605 12.418 1.00 0.00 C ATOM 209 CD LYS A 14 -0.688 -2.055 13.840 1.00 0.00 C ATOM 210 CE LYS A 14 0.013 -3.353 14.243 1.00 0.00 C ATOM 211 NZ LYS A 14 -0.849 -4.537 14.051 1.00 0.00 N ATOM 0 H LYS A 14 -1.408 -0.958 9.434 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.591 -2.432 11.548 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.021 0.105 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.927 -0.125 12.744 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.326 -2.474 11.763 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.582 -1.111 12.386 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.392 -1.265 14.530 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.764 -2.187 13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.923 -3.470 13.655 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.315 -3.291 15.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.332 -5.393 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.706 -4.440 14.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.116 -4.613 13.049 1.00 0.00 H new ATOM 225 N ALA A 15 -4.039 0.492 10.901 1.00 0.00 N ATOM 226 CA ALA A 15 -5.253 1.277 11.085 1.00 0.00 C ATOM 227 C ALA A 15 -6.308 0.916 10.023 1.00 0.00 C ATOM 228 O ALA A 15 -6.920 1.790 9.412 1.00 0.00 O ATOM 229 CB ALA A 15 -4.879 2.767 11.091 1.00 0.00 C ATOM 0 H ALA A 15 -3.291 1.010 10.441 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.715 1.044 12.044 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.778 3.367 11.228 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.183 2.964 11.907 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.409 3.028 10.143 1.00 0.00 H new ATOM 235 N LEU A 16 -6.513 -0.376 9.764 1.00 0.00 N ATOM 236 CA LEU A 16 -7.482 -0.867 8.799 1.00 0.00 C ATOM 237 C LEU A 16 -8.892 -0.618 9.304 1.00 0.00 C ATOM 238 O LEU A 16 -9.670 -0.011 8.577 1.00 0.00 O ATOM 239 CB LEU A 16 -7.265 -2.369 8.549 1.00 0.00 C ATOM 240 CG LEU A 16 -8.189 -2.898 7.437 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.608 -2.589 6.059 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.416 -4.401 7.573 1.00 0.00 C ATOM 0 H LEU A 16 -5.997 -1.121 10.232 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.346 -0.332 7.859 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.225 -2.546 8.274 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.450 -2.922 9.470 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.149 -2.392 7.542 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.277 -2.972 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.500 -1.511 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.632 -3.064 5.961 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.072 -4.744 6.773 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.460 -4.921 7.506 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.878 -4.613 8.537 1.00 0.00 H new ATOM 254 N ASP A 17 -9.249 -1.093 10.500 1.00 0.00 N ATOM 255 CA ASP A 17 -10.624 -0.978 11.001 1.00 0.00 C ATOM 256 C ASP A 17 -10.979 0.473 11.302 1.00 0.00 C ATOM 257 O ASP A 17 -12.119 0.892 11.135 1.00 0.00 O ATOM 258 CB ASP A 17 -10.865 -1.869 12.226 1.00 0.00 C ATOM 259 CG ASP A 17 -12.254 -2.523 12.229 1.00 0.00 C ATOM 260 OD1 ASP A 17 -13.145 -2.134 11.444 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.469 -3.518 12.962 1.00 0.00 O ATOM 0 H ASP A 17 -8.607 -1.561 11.140 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.285 -1.332 10.210 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.103 -2.648 12.257 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.749 -1.272 13.131 1.00 0.00 H new ATOM 266 N GLU A 18 -9.945 1.257 11.609 1.00 0.00 N ATOM 267 CA GLU A 18 -9.986 2.712 11.607 1.00 0.00 C ATOM 268 C GLU A 18 -10.465 3.175 10.236 1.00 0.00 C ATOM 269 O GLU A 18 -11.602 3.598 10.109 1.00 0.00 O ATOM 270 CB GLU A 18 -8.610 3.293 11.919 1.00 0.00 C ATOM 271 CG GLU A 18 -8.294 3.319 13.409 1.00 0.00 C ATOM 272 CD GLU A 18 -8.660 4.660 14.033 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.005 5.673 13.681 1.00 0.00 O ATOM 274 OE2 GLU A 18 -9.604 4.680 14.852 1.00 0.00 O ATOM 0 H GLU A 18 -9.033 0.883 11.872 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.671 3.063 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.850 2.707 11.403 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.553 4.307 11.524 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -8.840 2.521 13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.232 3.123 13.561 1.00 0.00 H new ATOM 281 N CYS A 19 -9.632 3.058 9.199 1.00 0.00 N ATOM 282 CA CYS A 19 -9.927 3.500 7.839 1.00 0.00 C ATOM 283 C CYS A 19 -11.215 2.897 7.254 1.00 0.00 C ATOM 284 O CYS A 19 -11.866 3.530 6.418 1.00 0.00 O ATOM 285 CB CYS A 19 -8.693 3.171 6.998 1.00 0.00 C ATOM 286 SG CYS A 19 -7.323 4.311 7.298 1.00 0.00 S ATOM 0 H CYS A 19 -8.706 2.640 9.288 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.129 4.571 7.838 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.369 2.154 7.218 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.960 3.200 5.942 1.00 0.00 H new ATOM 291 N LYS A 20 -11.627 1.710 7.710 1.00 0.00 N ATOM 292 CA LYS A 20 -12.909 1.107 7.409 1.00 0.00 C ATOM 293 C LYS A 20 -14.032 1.975 7.958 1.00 0.00 C ATOM 294 O LYS A 20 -14.976 2.239 7.224 1.00 0.00 O ATOM 295 CB LYS A 20 -12.980 -0.295 8.023 1.00 0.00 C ATOM 296 CG LYS A 20 -12.316 -1.387 7.176 1.00 0.00 C ATOM 297 CD LYS A 20 -12.107 -2.760 7.837 1.00 0.00 C ATOM 298 CE LYS A 20 -13.367 -3.610 8.056 1.00 0.00 C ATOM 299 NZ LYS A 20 -14.234 -3.113 9.136 1.00 0.00 N ATOM 0 H LYS A 20 -11.050 1.130 8.319 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.022 1.027 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.506 -0.274 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.026 -0.558 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.919 -1.532 6.279 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.344 -1.017 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.411 -3.332 7.224 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.627 -2.605 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.939 -3.642 7.129 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.069 -4.634 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.645 -3.918 9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.673 -2.533 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.998 -2.535 8.730 1.00 0.00 H new ATOM 313 N LYS A 21 -13.986 2.400 9.219 1.00 0.00 N ATOM 314 CA LYS A 21 -14.940 3.251 9.847 1.00 0.00 C ATOM 315 C LYS A 21 -14.795 4.684 9.313 1.00 0.00 C ATOM 316 O LYS A 21 -15.806 5.366 9.202 1.00 0.00 O ATOM 317 CB LYS A 21 -14.678 3.016 11.352 1.00 0.00 C ATOM 318 CG LYS A 21 -15.139 4.162 12.213 1.00 0.00 C ATOM 319 CD LYS A 21 -14.050 5.142 12.637 1.00 0.00 C ATOM 320 CE LYS A 21 -14.738 6.340 13.303 1.00 0.00 C ATOM 321 NZ LYS A 21 -13.867 7.054 14.255 1.00 0.00 N ATOM 0 H LYS A 21 -13.230 2.132 9.849 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.990 3.045 9.639 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.187 2.105 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.611 2.856 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.909 4.713 11.673 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.607 3.755 13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.355 4.666 13.329 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.469 5.466 11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.070 7.035 12.532 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.630 5.994 13.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.388 7.852 14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.570 6.403 15.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.027 7.412 13.756 1.00 0.00 H new ATOM 335 N GLU A 22 -13.598 5.171 8.978 1.00 0.00 N ATOM 336 CA GLU A 22 -13.402 6.532 8.480 1.00 0.00 C ATOM 337 C GLU A 22 -14.205 6.755 7.202 1.00 0.00 C ATOM 338 O GLU A 22 -14.820 7.808 7.047 1.00 0.00 O ATOM 339 CB GLU A 22 -11.919 6.782 8.191 1.00 0.00 C ATOM 340 CG GLU A 22 -11.025 6.721 9.433 1.00 0.00 C ATOM 341 CD GLU A 22 -11.042 7.962 10.313 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.114 8.264 10.887 1.00 0.00 O ATOM 343 OE2 GLU A 22 -9.943 8.480 10.614 1.00 0.00 O ATOM 0 H GLU A 22 -12.736 4.630 9.045 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.746 7.226 9.246 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.571 6.044 7.468 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.810 7.761 7.725 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.328 5.865 10.036 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.999 6.538 9.113 1.00 0.00 H new ATOM 350 N MET A 23 -14.181 5.780 6.287 1.00 0.00 N ATOM 351 CA MET A 23 -14.674 5.938 4.926 1.00 0.00 C ATOM 352 C MET A 23 -15.793 4.952 4.571 1.00 0.00 C ATOM 353 O MET A 23 -16.191 4.899 3.407 1.00 0.00 O ATOM 354 CB MET A 23 -13.488 5.825 3.964 1.00 0.00 C ATOM 355 CG MET A 23 -12.345 6.795 4.283 1.00 0.00 C ATOM 356 SD MET A 23 -11.541 7.459 2.806 1.00 0.00 S ATOM 357 CE MET A 23 -10.718 5.945 2.294 1.00 0.00 C ATOM 0 H MET A 23 -13.812 4.849 6.479 1.00 0.00 H new ATOM 0 HA MET A 23 -15.131 6.923 4.837 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.106 4.805 3.990 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.836 6.009 2.948 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.733 7.620 4.879 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.602 6.282 4.894 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.917 6.185 1.595 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.300 5.445 3.168 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.438 5.286 1.809 1.00 0.00 H new ATOM 367 N THR A 24 -16.292 4.181 5.541 1.00 0.00 N ATOM 368 CA THR A 24 -17.223 3.070 5.361 1.00 0.00 C ATOM 369 C THR A 24 -16.747 2.156 4.229 1.00 0.00 C ATOM 370 O THR A 24 -17.237 2.196 3.098 1.00 0.00 O ATOM 371 CB THR A 24 -18.653 3.598 5.240 1.00 0.00 C ATOM 372 OG1 THR A 24 -18.966 4.247 6.454 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.688 2.492 5.003 1.00 0.00 C ATOM 0 H THR A 24 -16.044 4.324 6.520 1.00 0.00 H new ATOM 0 HA THR A 24 -17.240 2.426 6.241 1.00 0.00 H new ATOM 0 HB THR A 24 -18.695 4.264 4.379 1.00 0.00 H new ATOM 0 HG1 THR A 24 -19.879 4.600 6.410 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.682 2.934 4.926 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.453 1.966 4.078 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.667 1.789 5.836 1.00 0.00 H new ATOM 381 N LEU A 25 -15.752 1.327 4.542 1.00 0.00 N ATOM 382 CA LEU A 25 -15.201 0.323 3.639 1.00 0.00 C ATOM 383 C LEU A 25 -15.522 -1.030 4.261 1.00 0.00 C ATOM 384 O LEU A 25 -15.495 -1.156 5.487 1.00 0.00 O ATOM 385 CB LEU A 25 -13.691 0.528 3.428 1.00 0.00 C ATOM 386 CG LEU A 25 -13.283 1.989 3.149 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.765 2.085 3.031 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.926 2.556 1.875 1.00 0.00 C ATOM 0 H LEU A 25 -15.297 1.337 5.455 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.640 0.397 2.644 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.161 0.178 4.314 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.364 -0.094 2.594 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.643 2.584 3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.480 3.118 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.306 1.753 3.962 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.423 1.452 2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.602 3.587 1.731 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.622 1.957 1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.011 2.527 1.971 1.00 0.00 H new ATOM 400 N THR A 26 -15.892 -2.001 3.436 1.00 0.00 N ATOM 401 CA THR A 26 -16.597 -3.201 3.869 1.00 0.00 C ATOM 402 C THR A 26 -15.624 -4.234 4.423 1.00 0.00 C ATOM 403 O THR A 26 -14.414 -4.010 4.526 1.00 0.00 O ATOM 404 CB THR A 26 -17.475 -3.718 2.707 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.727 -4.432 1.746 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.193 -2.582 1.964 1.00 0.00 C ATOM 0 H THR A 26 -15.708 -1.977 2.433 1.00 0.00 H new ATOM 0 HA THR A 26 -17.267 -2.972 4.698 1.00 0.00 H new ATOM 0 HB THR A 26 -18.203 -4.375 3.184 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.322 -4.741 1.032 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.796 -2.999 1.157 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.838 -2.044 2.658 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.455 -1.896 1.548 1.00 0.00 H new ATOM 414 N ASP A 27 -16.154 -5.394 4.795 1.00 0.00 N ATOM 415 CA ASP A 27 -15.328 -6.523 5.167 1.00 0.00 C ATOM 416 C ASP A 27 -14.646 -7.165 3.969 1.00 0.00 C ATOM 417 O ASP A 27 -13.636 -7.826 4.165 1.00 0.00 O ATOM 418 CB ASP A 27 -16.127 -7.539 5.974 1.00 0.00 C ATOM 419 CG ASP A 27 -16.273 -8.892 5.278 1.00 0.00 C ATOM 420 OD1 ASP A 27 -17.156 -8.999 4.401 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.526 -9.837 5.642 1.00 0.00 O ATOM 0 H ASP A 27 -17.157 -5.571 4.845 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.530 -6.141 5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.642 -7.686 6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -17.119 -7.133 6.174 1.00 0.00 H new ATOM 426 N ALA A 28 -15.122 -6.958 2.738 1.00 0.00 N ATOM 427 CA ALA A 28 -14.589 -7.715 1.612 1.00 0.00 C ATOM 428 C ALA A 28 -13.108 -7.405 1.358 1.00 0.00 C ATOM 429 O ALA A 28 -12.388 -8.257 0.837 1.00 0.00 O ATOM 430 CB ALA A 28 -15.399 -7.441 0.341 1.00 0.00 C ATOM 0 H ALA A 28 -15.856 -6.290 2.503 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.672 -8.770 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.983 -8.016 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.437 -7.733 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.354 -6.378 0.103 1.00 0.00 H new ATOM 436 N ILE A 29 -12.637 -6.224 1.770 1.00 0.00 N ATOM 437 CA ILE A 29 -11.219 -5.878 1.694 1.00 0.00 C ATOM 438 C ILE A 29 -10.387 -6.714 2.665 1.00 0.00 C ATOM 439 O ILE A 29 -9.205 -6.885 2.416 1.00 0.00 O ATOM 440 CB ILE A 29 -10.950 -4.374 1.921 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.269 -3.948 3.367 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.701 -3.535 0.885 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.291 -2.446 3.661 1.00 0.00 C ATOM 0 H ILE A 29 -13.224 -5.488 2.162 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.912 -6.110 0.674 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.884 -4.192 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.242 -4.360 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.535 -4.411 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.501 -2.478 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.366 -3.808 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.771 -3.721 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.528 -2.285 4.713 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.314 -2.017 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.047 -1.965 3.041 1.00 0.00 H new ATOM 455 N ASN A 30 -10.954 -7.246 3.758 1.00 0.00 N ATOM 456 CA ASN A 30 -10.216 -8.174 4.607 1.00 0.00 C ATOM 457 C ASN A 30 -9.965 -9.453 3.825 1.00 0.00 C ATOM 458 O ASN A 30 -8.996 -10.133 4.133 1.00 0.00 O ATOM 459 CB ASN A 30 -10.954 -8.541 5.912 1.00 0.00 C ATOM 460 CG ASN A 30 -10.519 -7.758 7.142 1.00 0.00 C ATOM 461 OD1 ASN A 30 -9.346 -7.467 7.333 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.443 -7.495 8.053 1.00 0.00 N ATOM 0 H ASN A 30 -11.906 -7.050 4.066 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.290 -7.673 4.891 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.023 -8.388 5.762 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.809 -9.604 6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.181 -7.043 8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.417 -7.744 7.878 1.00 0.00 H new ATOM 469 N GLU A 31 -10.802 -9.832 2.851 1.00 0.00 N ATOM 470 CA GLU A 31 -10.472 -10.949 1.972 1.00 0.00 C ATOM 471 C GLU A 31 -9.394 -10.530 0.981 1.00 0.00 C ATOM 472 O GLU A 31 -8.492 -11.316 0.714 1.00 0.00 O ATOM 473 CB GLU A 31 -11.702 -11.509 1.226 1.00 0.00 C ATOM 474 CG GLU A 31 -11.964 -12.972 1.630 1.00 0.00 C ATOM 475 CD GLU A 31 -12.449 -13.860 0.485 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.651 -13.841 0.133 1.00 0.00 O ATOM 477 OE2 GLU A 31 -11.630 -14.657 -0.040 1.00 0.00 O ATOM 0 H GLU A 31 -11.699 -9.386 2.657 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.097 -11.755 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.578 -10.902 1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.540 -11.447 0.150 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.046 -13.394 2.039 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.706 -12.990 2.428 1.00 0.00 H new ATOM 484 N ASP A 32 -9.458 -9.316 0.437 1.00 0.00 N ATOM 485 CA ASP A 32 -8.482 -8.868 -0.555 1.00 0.00 C ATOM 486 C ASP A 32 -7.096 -8.756 0.084 1.00 0.00 C ATOM 487 O ASP A 32 -6.114 -9.185 -0.509 1.00 0.00 O ATOM 488 CB ASP A 32 -8.891 -7.530 -1.176 1.00 0.00 C ATOM 489 CG ASP A 32 -10.153 -7.615 -2.038 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.182 -8.411 -3.004 1.00 0.00 O ATOM 491 OD2 ASP A 32 -11.151 -6.928 -1.740 1.00 0.00 O ATOM 0 H ASP A 32 -10.174 -8.626 0.666 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.448 -9.609 -1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.053 -6.804 -0.380 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.069 -7.156 -1.786 1.00 0.00 H new ATOM 496 N PHE A 33 -7.012 -8.212 1.300 1.00 0.00 N ATOM 497 CA PHE A 33 -5.782 -8.051 2.065 1.00 0.00 C ATOM 498 C PHE A 33 -5.286 -9.361 2.661 1.00 0.00 C ATOM 499 O PHE A 33 -4.070 -9.513 2.803 1.00 0.00 O ATOM 500 CB PHE A 33 -6.005 -7.040 3.201 1.00 0.00 C ATOM 501 CG PHE A 33 -6.160 -5.598 2.755 1.00 0.00 C ATOM 502 CD1 PHE A 33 -5.234 -5.025 1.863 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.227 -4.820 3.238 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.393 -3.699 1.431 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.401 -3.502 2.783 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.487 -2.943 1.881 1.00 0.00 C ATOM 0 H PHE A 33 -7.832 -7.860 1.794 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.022 -7.692 1.371 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.897 -7.331 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.165 -7.102 3.893 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.397 -5.609 1.509 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.914 -5.236 3.960 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.675 -3.261 0.754 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.241 -2.919 3.130 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.624 -1.930 1.532 1.00 0.00 H new ATOM 516 N TYR A 34 -6.178 -10.283 3.031 1.00 0.00 N ATOM 517 CA TYR A 34 -5.805 -11.631 3.430 1.00 0.00 C ATOM 518 C TYR A 34 -5.202 -12.337 2.221 1.00 0.00 C ATOM 519 O TYR A 34 -4.022 -12.674 2.249 1.00 0.00 O ATOM 520 CB TYR A 34 -7.026 -12.373 3.992 1.00 0.00 C ATOM 521 CG TYR A 34 -6.961 -13.885 4.007 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.754 -14.573 4.237 1.00 0.00 C ATOM 523 CD2 TYR A 34 -8.128 -14.603 3.697 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.691 -15.963 4.044 1.00 0.00 C ATOM 525 CE2 TYR A 34 -8.082 -15.995 3.541 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.849 -16.676 3.657 1.00 0.00 C ATOM 527 OH TYR A 34 -6.785 -18.015 3.424 1.00 0.00 O ATOM 0 H TYR A 34 -7.183 -10.109 3.060 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.061 -11.609 4.226 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.191 -12.030 5.014 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.900 -12.077 3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.877 -14.032 4.562 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.065 -14.080 3.578 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.758 -16.487 4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.987 -16.546 3.333 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.672 -18.345 3.169 1.00 0.00 H new ATOM 537 N ASN A 35 -5.973 -12.524 1.150 1.00 0.00 N ATOM 538 CA ASN A 35 -5.520 -13.258 -0.023 1.00 0.00 C ATOM 539 C ASN A 35 -4.453 -12.486 -0.813 1.00 0.00 C ATOM 540 O ASN A 35 -4.014 -13.035 -1.810 1.00 0.00 O ATOM 541 CB ASN A 35 -6.671 -13.546 -1.003 1.00 0.00 C ATOM 542 CG ASN A 35 -7.846 -14.400 -0.536 1.00 0.00 C ATOM 543 OD1 ASN A 35 -7.774 -15.622 -0.422 1.00 0.00 O ATOM 544 ND2 ASN A 35 -9.004 -13.781 -0.415 1.00 0.00 N ATOM 0 H ASN A 35 -6.927 -12.170 1.075 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.107 -14.187 0.369 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.072 -12.587 -1.331 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.242 -14.029 -1.881 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.851 -14.316 -0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.053 -12.767 -0.511 1.00 0.00 H new ATOM 551 N PHE A 36 -4.072 -11.249 -0.460 1.00 0.00 N ATOM 552 CA PHE A 36 -3.209 -10.359 -1.255 1.00 0.00 C ATOM 553 C PHE A 36 -2.023 -11.137 -1.833 1.00 0.00 C ATOM 554 O PHE A 36 -1.943 -11.323 -3.046 1.00 0.00 O ATOM 555 CB PHE A 36 -2.769 -9.157 -0.386 1.00 0.00 C ATOM 556 CG PHE A 36 -1.942 -8.051 -1.033 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.493 -7.240 -2.045 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.664 -7.732 -0.529 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.745 -6.175 -2.592 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.070 -6.659 -1.073 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.443 -5.914 -2.134 1.00 0.00 C ATOM 0 H PHE A 36 -4.367 -10.824 0.419 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.765 -9.965 -2.106 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.669 -8.700 0.026 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.197 -9.549 0.455 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.493 -7.434 -2.404 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.245 -8.314 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.176 -5.558 -3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.039 -6.412 -0.664 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.155 -5.144 -2.599 1.00 0.00 H new ATOM 571 N TRP A 37 -1.177 -11.693 -0.959 1.00 0.00 N ATOM 572 CA TRP A 37 0.028 -12.423 -1.329 1.00 0.00 C ATOM 573 C TRP A 37 -0.221 -13.812 -1.942 1.00 0.00 C ATOM 574 O TRP A 37 0.721 -14.616 -1.989 1.00 0.00 O ATOM 575 CB TRP A 37 0.984 -12.488 -0.120 1.00 0.00 C ATOM 576 CG TRP A 37 1.494 -11.168 0.378 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.372 -10.672 1.629 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.156 -10.128 -0.392 1.00 0.00 C ATOM 579 NE1 TRP A 37 1.891 -9.391 1.678 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.394 -9.004 0.451 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.533 -10.014 -1.742 1.00 0.00 C ATOM 582 CZ2 TRP A 37 2.944 -7.811 -0.048 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.036 -8.815 -2.262 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.209 -7.708 -1.427 1.00 0.00 C ATOM 0 H TRP A 37 -1.320 -11.643 0.050 1.00 0.00 H new ATOM 0 HA TRP A 37 0.495 -11.861 -2.138 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.470 -12.991 0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.839 -13.109 -0.389 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.935 -11.197 2.465 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.901 -8.806 2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.432 -10.870 -2.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.160 -6.987 0.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.290 -8.746 -3.309 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.547 -6.770 -1.841 1.00 0.00 H new ATOM 595 N LYS A 38 -1.425 -14.145 -2.417 1.00 0.00 N ATOM 596 CA LYS A 38 -1.661 -15.316 -3.228 1.00 0.00 C ATOM 597 C LYS A 38 -0.762 -15.264 -4.449 1.00 0.00 C ATOM 598 O LYS A 38 -0.373 -14.210 -4.952 1.00 0.00 O ATOM 599 CB LYS A 38 -3.100 -15.314 -3.735 1.00 0.00 C ATOM 600 CG LYS A 38 -4.007 -16.325 -3.043 1.00 0.00 C ATOM 601 CD LYS A 38 -5.162 -16.643 -3.994 1.00 0.00 C ATOM 602 CE LYS A 38 -6.347 -17.159 -3.201 1.00 0.00 C ATOM 603 NZ LYS A 38 -7.499 -17.424 -4.091 1.00 0.00 N ATOM 0 H LYS A 38 -2.265 -13.594 -2.240 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.465 -16.203 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.519 -14.316 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.097 -15.519 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.453 -17.231 -2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.385 -15.920 -2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.445 -15.749 -4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.849 -17.388 -4.726 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.069 -18.073 -2.676 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.628 -16.429 -2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.299 -17.776 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.775 -16.545 -4.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.233 -18.138 -4.799 1.00 0.00 H new ATOM 617 N GLU A 39 -0.617 -16.431 -5.035 1.00 0.00 N ATOM 618 CA GLU A 39 -0.331 -16.620 -6.424 1.00 0.00 C ATOM 619 C GLU A 39 -1.467 -15.956 -7.227 1.00 0.00 C ATOM 620 O GLU A 39 -2.614 -16.412 -7.195 1.00 0.00 O ATOM 621 CB GLU A 39 -0.259 -18.140 -6.588 1.00 0.00 C ATOM 622 CG GLU A 39 -0.305 -18.546 -8.044 1.00 0.00 C ATOM 623 CD GLU A 39 0.080 -20.006 -8.231 1.00 0.00 C ATOM 624 OE1 GLU A 39 -0.543 -20.879 -7.588 1.00 0.00 O ATOM 625 OE2 GLU A 39 0.982 -20.271 -9.063 1.00 0.00 O ATOM 0 H GLU A 39 -0.701 -17.310 -4.525 1.00 0.00 H new ATOM 0 HA GLU A 39 0.596 -16.172 -6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.660 -18.512 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.088 -18.604 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.308 -18.381 -8.437 1.00 0.00 H new ATOM 0 HG3 GLU A 39 0.371 -17.914 -8.620 1.00 0.00 H new ATOM 632 N GLY A 40 -1.175 -14.866 -7.936 1.00 0.00 N ATOM 633 CA GLY A 40 -1.976 -14.377 -9.053 1.00 0.00 C ATOM 634 C GLY A 40 -3.216 -13.551 -8.711 1.00 0.00 C ATOM 635 O GLY A 40 -3.805 -13.011 -9.641 1.00 0.00 O ATOM 0 H GLY A 40 -0.357 -14.287 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.332 -13.772 -9.692 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.294 -15.236 -9.643 1.00 0.00 H new ATOM 639 N TYR A 41 -3.617 -13.412 -7.443 1.00 0.00 N ATOM 640 CA TYR A 41 -4.883 -12.794 -7.045 1.00 0.00 C ATOM 641 C TYR A 41 -5.110 -11.436 -7.695 1.00 0.00 C ATOM 642 O TYR A 41 -4.234 -10.563 -7.642 1.00 0.00 O ATOM 643 CB TYR A 41 -4.929 -12.656 -5.527 1.00 0.00 C ATOM 644 CG TYR A 41 -6.236 -12.158 -4.941 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.605 -10.798 -5.003 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.064 -13.069 -4.267 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.775 -10.363 -4.346 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.253 -12.651 -3.672 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.622 -11.296 -3.704 1.00 0.00 C ATOM 650 OH TYR A 41 -9.816 -10.942 -3.159 1.00 0.00 O ATOM 0 H TYR A 41 -3.059 -13.732 -6.651 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.683 -13.448 -7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.704 -13.628 -5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.134 -11.976 -5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.995 -10.094 -5.550 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.776 -14.108 -4.209 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.025 -9.312 -4.333 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.893 -13.372 -3.185 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.030 -10.020 -3.411 1.00 0.00 H new ATOM 660 N GLU A 42 -6.305 -11.226 -8.252 1.00 0.00 N ATOM 661 CA GLU A 42 -6.726 -9.931 -8.717 1.00 0.00 C ATOM 662 C GLU A 42 -7.682 -9.275 -7.751 1.00 0.00 C ATOM 663 O GLU A 42 -8.616 -9.881 -7.223 1.00 0.00 O ATOM 664 CB GLU A 42 -7.414 -10.007 -10.074 1.00 0.00 C ATOM 665 CG GLU A 42 -6.493 -10.398 -11.223 1.00 0.00 C ATOM 666 CD GLU A 42 -6.292 -11.912 -11.394 1.00 0.00 C ATOM 667 OE1 GLU A 42 -7.044 -12.717 -10.800 1.00 0.00 O ATOM 668 OE2 GLU A 42 -5.405 -12.303 -12.187 1.00 0.00 O ATOM 0 H GLU A 42 -7.000 -11.961 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.815 -9.339 -8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.229 -10.729 -10.015 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.862 -9.038 -10.296 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.897 -9.991 -12.150 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.521 -9.931 -11.067 1.00 0.00 H new ATOM 675 N ILE A 43 -7.473 -7.974 -7.634 1.00 0.00 N ATOM 676 CA ILE A 43 -8.120 -7.098 -6.683 1.00 0.00 C ATOM 677 C ILE A 43 -8.982 -6.172 -7.519 1.00 0.00 C ATOM 678 O ILE A 43 -8.463 -5.488 -8.401 1.00 0.00 O ATOM 679 CB ILE A 43 -7.077 -6.290 -5.879 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.926 -7.138 -5.289 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.842 -5.551 -4.774 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.759 -6.280 -4.795 1.00 0.00 C ATOM 0 H ILE A 43 -6.812 -7.479 -8.233 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.707 -7.657 -5.954 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.575 -5.601 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.308 -7.737 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.566 -7.833 -6.047 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.143 -4.964 -4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.581 -4.888 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.346 -6.275 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.979 -6.925 -4.391 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.356 -5.700 -5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.109 -5.603 -4.016 1.00 0.00 H new ATOM 694 N LYS A 44 -10.296 -6.174 -7.294 1.00 0.00 N ATOM 695 CA LYS A 44 -11.206 -5.338 -8.041 1.00 0.00 C ATOM 696 C LYS A 44 -12.008 -4.415 -7.127 1.00 0.00 C ATOM 697 O LYS A 44 -12.516 -3.401 -7.604 1.00 0.00 O ATOM 698 CB LYS A 44 -12.101 -6.221 -8.912 1.00 0.00 C ATOM 699 CG LYS A 44 -11.420 -7.142 -9.936 1.00 0.00 C ATOM 700 CD LYS A 44 -10.829 -8.404 -9.282 1.00 0.00 C ATOM 701 CE LYS A 44 -10.990 -9.656 -10.143 1.00 0.00 C ATOM 702 NZ LYS A 44 -11.018 -10.875 -9.306 1.00 0.00 N ATOM 0 H LYS A 44 -10.748 -6.757 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.633 -4.679 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.703 -6.843 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.789 -5.571 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -12.144 -7.434 -10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.627 -6.593 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.770 -8.241 -9.083 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.313 -8.568 -8.319 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.911 -9.587 -10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.168 -9.719 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.822 -11.707 -9.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.296 -10.802 -8.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.956 -10.975 -8.869 1.00 0.00 H new ATOM 716 N ASN A 45 -12.054 -4.692 -5.818 1.00 0.00 N ATOM 717 CA ASN A 45 -12.614 -3.784 -4.822 1.00 0.00 C ATOM 718 C ASN A 45 -11.836 -2.478 -4.856 1.00 0.00 C ATOM 719 O ASN A 45 -10.746 -2.401 -4.288 1.00 0.00 O ATOM 720 CB ASN A 45 -12.535 -4.366 -3.399 1.00 0.00 C ATOM 721 CG ASN A 45 -13.852 -4.900 -2.873 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.867 -4.208 -2.917 1.00 0.00 O ATOM 723 ND2 ASN A 45 -13.831 -6.091 -2.313 1.00 0.00 N ATOM 0 H ASN A 45 -11.699 -5.562 -5.422 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.665 -3.627 -5.066 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.799 -5.170 -3.388 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.173 -3.593 -2.722 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.679 -6.472 -1.894 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.967 -6.632 -2.298 1.00 0.00 H new ATOM 730 N ARG A 46 -12.411 -1.416 -5.423 1.00 0.00 N ATOM 731 CA ARG A 46 -11.936 -0.053 -5.230 1.00 0.00 C ATOM 732 C ARG A 46 -11.830 0.291 -3.745 1.00 0.00 C ATOM 733 O ARG A 46 -11.022 1.131 -3.365 1.00 0.00 O ATOM 734 CB ARG A 46 -12.903 0.876 -5.980 1.00 0.00 C ATOM 735 CG ARG A 46 -14.220 1.069 -5.213 1.00 0.00 C ATOM 736 CD ARG A 46 -15.341 1.744 -5.998 1.00 0.00 C ATOM 737 NE ARG A 46 -15.292 3.200 -5.849 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.679 3.904 -4.779 1.00 0.00 C ATOM 739 NH1 ARG A 46 -16.096 3.356 -3.646 1.00 0.00 N ATOM 740 NH2 ARG A 46 -15.644 5.212 -4.870 1.00 0.00 N ATOM 0 H ARG A 46 -13.226 -1.483 -6.033 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.929 0.068 -5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.428 1.845 -6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -13.114 0.461 -6.966 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.571 0.094 -4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.018 1.660 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.259 1.481 -7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -16.305 1.373 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.926 3.730 -6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -16.135 2.341 -3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.378 3.950 -2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.330 5.655 -5.734 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.931 5.786 -4.077 1.00 0.00 H new ATOM 754 N GLU A 47 -12.615 -0.383 -2.903 1.00 0.00 N ATOM 755 CA GLU A 47 -12.598 -0.221 -1.463 1.00 0.00 C ATOM 756 C GLU A 47 -11.203 -0.513 -0.911 1.00 0.00 C ATOM 757 O GLU A 47 -10.803 0.132 0.054 1.00 0.00 O ATOM 758 CB GLU A 47 -13.639 -1.148 -0.811 1.00 0.00 C ATOM 759 CG GLU A 47 -15.053 -1.037 -1.391 1.00 0.00 C ATOM 760 CD GLU A 47 -15.621 0.380 -1.345 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.321 1.164 -2.269 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.419 0.675 -0.426 1.00 0.00 O ATOM 0 H GLU A 47 -13.296 -1.073 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.854 0.811 -1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.300 -2.179 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.681 -0.930 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.041 -1.382 -2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.716 -1.704 -0.840 1.00 0.00 H new ATOM 769 N THR A 48 -10.450 -1.438 -1.523 1.00 0.00 N ATOM 770 CA THR A 48 -9.083 -1.708 -1.108 1.00 0.00 C ATOM 771 C THR A 48 -8.228 -0.487 -1.416 1.00 0.00 C ATOM 772 O THR A 48 -7.500 -0.026 -0.549 1.00 0.00 O ATOM 773 CB THR A 48 -8.494 -2.949 -1.783 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.357 -2.784 -3.179 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.251 -4.236 -1.541 1.00 0.00 C ATOM 0 H THR A 48 -10.772 -2.007 -2.306 1.00 0.00 H new ATOM 0 HA THR A 48 -9.090 -1.912 -0.037 1.00 0.00 H new ATOM 0 HB THR A 48 -7.519 -3.044 -1.304 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.208 -2.994 -3.618 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.753 -5.054 -2.061 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.276 -4.448 -0.472 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.270 -4.135 -1.915 1.00 0.00 H new ATOM 783 N GLY A 49 -8.356 0.070 -2.622 1.00 0.00 N ATOM 784 CA GLY A 49 -7.706 1.288 -3.050 1.00 0.00 C ATOM 785 C GLY A 49 -7.922 2.400 -2.030 1.00 0.00 C ATOM 786 O GLY A 49 -6.971 2.971 -1.508 1.00 0.00 O ATOM 0 H GLY A 49 -8.942 -0.340 -3.349 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.639 1.110 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.099 1.595 -4.019 1.00 0.00 H new ATOM 790 N CYS A 50 -9.184 2.687 -1.710 1.00 0.00 N ATOM 791 CA CYS A 50 -9.514 3.699 -0.717 1.00 0.00 C ATOM 792 C CYS A 50 -8.937 3.358 0.663 1.00 0.00 C ATOM 793 O CYS A 50 -8.423 4.249 1.335 1.00 0.00 O ATOM 794 CB CYS A 50 -11.028 3.944 -0.679 1.00 0.00 C ATOM 795 SG CYS A 50 -11.454 5.573 -1.355 1.00 0.00 S ATOM 0 H CYS A 50 -9.994 2.229 -2.128 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.040 4.634 -1.016 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.538 3.167 -1.249 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.384 3.871 0.349 1.00 0.00 H new ATOM 800 N ALA A 51 -8.980 2.093 1.090 1.00 0.00 N ATOM 801 CA ALA A 51 -8.377 1.670 2.348 1.00 0.00 C ATOM 802 C ALA A 51 -6.885 1.984 2.334 1.00 0.00 C ATOM 803 O ALA A 51 -6.429 2.739 3.182 1.00 0.00 O ATOM 804 CB ALA A 51 -8.647 0.187 2.610 1.00 0.00 C ATOM 0 H ALA A 51 -9.433 1.339 0.573 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.832 2.224 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.187 -0.105 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.722 0.017 2.662 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.224 -0.408 1.801 1.00 0.00 H new ATOM 810 N ILE A 52 -6.143 1.466 1.354 1.00 0.00 N ATOM 811 CA ILE A 52 -4.716 1.680 1.128 1.00 0.00 C ATOM 812 C ILE A 52 -4.399 3.175 1.194 1.00 0.00 C ATOM 813 O ILE A 52 -3.450 3.554 1.873 1.00 0.00 O ATOM 814 CB ILE A 52 -4.307 1.016 -0.212 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.393 -0.526 -0.115 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.892 1.404 -0.666 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.444 -1.243 -1.470 1.00 0.00 C ATOM 0 H ILE A 52 -6.550 0.847 0.653 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.122 1.207 1.910 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.014 1.387 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.532 -0.892 0.444 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.281 -0.793 0.458 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.664 0.908 -1.609 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.837 2.484 -0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.170 1.096 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.503 -2.320 -1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.321 -0.910 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.544 -1.010 -2.039 1.00 0.00 H new ATOM 829 N MET A 53 -5.193 4.027 0.546 1.00 0.00 N ATOM 830 CA MET A 53 -5.009 5.472 0.570 1.00 0.00 C ATOM 831 C MET A 53 -5.048 5.985 2.013 1.00 0.00 C ATOM 832 O MET A 53 -4.100 6.618 2.470 1.00 0.00 O ATOM 833 CB MET A 53 -6.088 6.117 -0.307 1.00 0.00 C ATOM 834 CG MET A 53 -5.810 7.589 -0.605 1.00 0.00 C ATOM 835 SD MET A 53 -7.007 8.336 -1.747 1.00 0.00 S ATOM 836 CE MET A 53 -8.546 8.084 -0.819 1.00 0.00 C ATOM 0 H MET A 53 -5.990 3.727 -0.016 1.00 0.00 H new ATOM 0 HA MET A 53 -4.033 5.741 0.167 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.161 5.569 -1.246 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.054 6.028 0.190 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.815 8.148 0.331 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.810 7.683 -1.027 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.221 8.920 -1.000 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.020 7.158 -1.145 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.323 8.022 0.246 1.00 0.00 H new ATOM 846 N CYS A 54 -6.111 5.663 2.755 1.00 0.00 N ATOM 847 CA CYS A 54 -6.250 6.040 4.156 1.00 0.00 C ATOM 848 C CYS A 54 -5.125 5.453 5.019 1.00 0.00 C ATOM 849 O CYS A 54 -4.624 6.133 5.911 1.00 0.00 O ATOM 850 CB CYS A 54 -7.634 5.621 4.659 1.00 0.00 C ATOM 851 SG CYS A 54 -7.980 6.006 6.392 1.00 0.00 S ATOM 0 H CYS A 54 -6.902 5.130 2.394 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.161 7.123 4.239 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.389 6.105 4.039 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.744 4.546 4.514 1.00 0.00 H new ATOM 856 N LEU A 55 -4.694 4.215 4.768 1.00 0.00 N ATOM 857 CA LEU A 55 -3.580 3.611 5.489 1.00 0.00 C ATOM 858 C LEU A 55 -2.334 4.467 5.250 1.00 0.00 C ATOM 859 O LEU A 55 -1.728 4.902 6.223 1.00 0.00 O ATOM 860 CB LEU A 55 -3.325 2.156 5.047 1.00 0.00 C ATOM 861 CG LEU A 55 -4.443 1.134 5.337 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.087 -0.217 4.704 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.734 0.942 6.825 1.00 0.00 C ATOM 0 H LEU A 55 -5.108 3.608 4.061 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.824 3.577 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.135 2.156 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.413 1.809 5.533 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.352 1.542 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.880 -0.936 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.979 -0.097 3.626 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.149 -0.580 5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.531 0.209 6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.835 0.588 7.329 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.044 1.892 7.261 1.00 0.00 H new ATOM 875 N SER A 56 -1.990 4.762 3.990 1.00 0.00 N ATOM 876 CA SER A 56 -0.896 5.654 3.606 1.00 0.00 C ATOM 877 C SER A 56 -1.004 6.971 4.375 1.00 0.00 C ATOM 878 O SER A 56 -0.017 7.386 4.991 1.00 0.00 O ATOM 879 CB SER A 56 -0.900 5.885 2.081 1.00 0.00 C ATOM 880 OG SER A 56 0.355 5.647 1.466 1.00 0.00 O ATOM 0 H SER A 56 -2.483 4.372 3.186 1.00 0.00 H new ATOM 0 HA SER A 56 0.055 5.189 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.647 5.235 1.626 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.205 6.912 1.879 1.00 0.00 H new ATOM 0 HG SER A 56 0.283 5.809 0.502 1.00 0.00 H new ATOM 886 N THR A 57 -2.195 7.582 4.402 1.00 0.00 N ATOM 887 CA THR A 57 -2.432 8.813 5.133 1.00 0.00 C ATOM 888 C THR A 57 -1.938 8.611 6.582 1.00 0.00 C ATOM 889 O THR A 57 -1.088 9.355 7.068 1.00 0.00 O ATOM 890 CB THR A 57 -3.931 9.204 5.109 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.269 9.798 3.881 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.294 10.173 6.231 1.00 0.00 C ATOM 0 H THR A 57 -3.017 7.228 3.913 1.00 0.00 H new ATOM 0 HA THR A 57 -1.887 9.631 4.661 1.00 0.00 H new ATOM 0 HB THR A 57 -4.492 8.280 5.250 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.220 10.037 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.355 10.417 6.172 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.081 9.710 7.195 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.706 11.085 6.129 1.00 0.00 H new ATOM 900 N LYS A 58 -2.457 7.582 7.269 1.00 0.00 N ATOM 901 CA LYS A 58 -2.266 7.338 8.701 1.00 0.00 C ATOM 902 C LYS A 58 -0.829 6.972 9.086 1.00 0.00 C ATOM 903 O LYS A 58 -0.490 7.063 10.265 1.00 0.00 O ATOM 904 CB LYS A 58 -3.232 6.243 9.181 1.00 0.00 C ATOM 905 CG LYS A 58 -4.718 6.634 9.033 1.00 0.00 C ATOM 906 CD LYS A 58 -5.490 6.487 10.345 1.00 0.00 C ATOM 907 CE LYS A 58 -6.968 6.870 10.162 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.650 7.230 11.428 1.00 0.00 N ATOM 0 H LYS A 58 -3.041 6.874 6.824 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.482 8.283 9.199 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.045 5.330 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.025 6.018 10.227 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.787 7.665 8.687 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.181 6.009 8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.419 5.459 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.039 7.120 11.109 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.034 7.711 9.472 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.496 6.036 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.653 7.427 11.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.574 6.440 12.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.202 8.076 11.835 1.00 0.00 H new ATOM 922 N LEU A 59 0.043 6.572 8.155 1.00 0.00 N ATOM 923 CA LEU A 59 1.476 6.429 8.432 1.00 0.00 C ATOM 924 C LEU A 59 2.206 7.767 8.310 1.00 0.00 C ATOM 925 O LEU A 59 3.439 7.804 8.386 1.00 0.00 O ATOM 926 CB LEU A 59 2.113 5.370 7.513 1.00 0.00 C ATOM 927 CG LEU A 59 1.872 3.905 7.905 1.00 0.00 C ATOM 928 CD1 LEU A 59 2.135 3.621 9.386 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.486 3.409 7.530 1.00 0.00 C ATOM 0 H LEU A 59 -0.221 6.340 7.197 1.00 0.00 H new ATOM 0 HA LEU A 59 1.579 6.090 9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.736 5.521 6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.188 5.545 7.482 1.00 0.00 H new ATOM 0 HG LEU A 59 2.605 3.350 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.945 2.568 9.594 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.173 3.857 9.623 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.475 4.236 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.378 2.368 7.833 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.266 4.014 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.351 3.489 6.451 1.00 0.00 H new ATOM 941 N ASN A 60 1.466 8.859 8.118 1.00 0.00 N ATOM 942 CA ASN A 60 1.944 10.185 7.779 1.00 0.00 C ATOM 943 C ASN A 60 2.642 10.195 6.412 1.00 0.00 C ATOM 944 O ASN A 60 3.503 11.046 6.182 1.00 0.00 O ATOM 945 CB ASN A 60 2.813 10.771 8.911 1.00 0.00 C ATOM 946 CG ASN A 60 2.556 12.254 9.096 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.488 12.619 9.592 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.465 13.136 8.720 1.00 0.00 N ATOM 0 H ASN A 60 0.450 8.831 8.203 1.00 0.00 H new ATOM 0 HA ASN A 60 1.083 10.846 7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.603 10.245 9.842 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.867 10.609 8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.288 14.133 8.839 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.344 12.820 8.311 1.00 0.00 H new ATOM 955 N MET A 61 2.321 9.242 5.522 1.00 0.00 N ATOM 956 CA MET A 61 2.981 9.140 4.212 1.00 0.00 C ATOM 957 C MET A 61 2.395 10.119 3.201 1.00 0.00 C ATOM 958 O MET A 61 2.925 10.205 2.097 1.00 0.00 O ATOM 959 CB MET A 61 2.967 7.706 3.632 1.00 0.00 C ATOM 960 CG MET A 61 3.917 6.801 4.421 1.00 0.00 C ATOM 961 SD MET A 61 4.401 5.259 3.602 1.00 0.00 S ATOM 962 CE MET A 61 3.030 4.176 4.040 1.00 0.00 C ATOM 0 H MET A 61 1.608 8.531 5.687 1.00 0.00 H new ATOM 0 HA MET A 61 4.022 9.406 4.394 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.955 7.302 3.669 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.263 7.728 2.583 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.820 7.367 4.651 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.446 6.553 5.372 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.217 3.176 3.649 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.935 4.130 5.125 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.107 4.566 3.611 1.00 0.00 H new ATOM 972 N LEU A 62 1.330 10.849 3.549 1.00 0.00 N ATOM 973 CA LEU A 62 0.626 11.742 2.644 1.00 0.00 C ATOM 974 C LEU A 62 0.852 13.170 3.118 1.00 0.00 C ATOM 975 O LEU A 62 0.585 13.485 4.279 1.00 0.00 O ATOM 976 CB LEU A 62 -0.857 11.346 2.553 1.00 0.00 C ATOM 977 CG LEU A 62 -1.127 10.245 1.498 1.00 0.00 C ATOM 978 CD1 LEU A 62 -0.081 9.146 1.293 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.523 9.639 1.460 1.00 0.00 C ATOM 0 H LEU A 62 0.931 10.830 4.488 1.00 0.00 H new ATOM 0 HA LEU A 62 1.011 11.665 1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.194 10.997 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.448 12.228 2.308 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.029 10.910 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.424 8.457 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.863 9.595 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.063 8.602 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.570 8.883 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.746 9.178 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.254 10.421 1.255 1.00 0.00 H new ATOM 1053 N LEU A 68 2.483 11.628 -2.276 1.00 0.00 N ATOM 1054 CA LEU A 68 3.365 10.666 -1.620 1.00 0.00 C ATOM 1055 C LEU A 68 4.554 11.428 -1.050 1.00 0.00 C ATOM 1056 O LEU A 68 5.404 11.915 -1.800 1.00 0.00 O ATOM 1057 CB LEU A 68 3.801 9.573 -2.611 1.00 0.00 C ATOM 1058 CG LEU A 68 4.739 8.466 -2.074 1.00 0.00 C ATOM 1059 CD1 LEU A 68 6.212 8.868 -1.988 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.306 7.849 -0.737 1.00 0.00 C ATOM 0 HA LEU A 68 2.845 10.159 -0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.903 9.095 -3.003 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.297 10.058 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 68 4.640 7.701 -2.844 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.795 8.032 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.575 9.136 -2.980 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.317 9.723 -1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.023 7.084 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.267 8.626 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.319 7.399 -0.847 1.00 0.00 H new ATOM 1072 N HIS A 69 4.596 11.527 0.273 1.00 0.00 N ATOM 1073 CA HIS A 69 5.637 12.191 1.026 1.00 0.00 C ATOM 1074 C HIS A 69 6.852 11.273 1.109 1.00 0.00 C ATOM 1075 O HIS A 69 6.937 10.421 1.996 1.00 0.00 O ATOM 1076 CB HIS A 69 5.090 12.621 2.399 1.00 0.00 C ATOM 1077 CG HIS A 69 6.047 13.406 3.260 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.393 13.162 3.409 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.727 14.469 4.063 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.878 14.056 4.282 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.896 14.850 4.737 1.00 0.00 N ATOM 0 H HIS A 69 3.872 11.128 0.870 1.00 0.00 H new ATOM 0 HA HIS A 69 5.962 13.105 0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.193 13.221 2.242 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.785 11.728 2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.754 14.928 4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.914 14.128 4.578 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.983 15.587 5.437 1.00 0.00 H new ATOM 1089 N HIS A 70 7.806 11.485 0.201 1.00 0.00 N ATOM 1090 CA HIS A 70 9.039 10.724 0.041 1.00 0.00 C ATOM 1091 C HIS A 70 9.727 10.456 1.376 1.00 0.00 C ATOM 1092 O HIS A 70 10.004 9.302 1.701 1.00 0.00 O ATOM 1093 CB HIS A 70 9.992 11.487 -0.886 1.00 0.00 C ATOM 1094 CG HIS A 70 9.387 11.851 -2.211 1.00 0.00 C ATOM 1095 ND1 HIS A 70 9.271 13.118 -2.737 1.00 0.00 N ATOM 1096 CD2 HIS A 70 8.872 10.971 -3.117 1.00 0.00 C ATOM 1097 CE1 HIS A 70 8.736 12.992 -3.963 1.00 0.00 C ATOM 1098 NE2 HIS A 70 8.502 11.698 -4.245 1.00 0.00 N ATOM 0 H HIS A 70 7.731 12.239 -0.482 1.00 0.00 H new ATOM 0 HA HIS A 70 8.780 9.759 -0.394 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.320 12.398 -0.385 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.881 10.880 -1.058 1.00 0.00 H new ATOM 0 HD1 HIS A 70 9.541 13.990 -2.281 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.770 9.904 -2.984 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.523 13.815 -4.629 1.00 0.00 H new ATOM 1106 N GLY A 71 9.985 11.521 2.142 1.00 0.00 N ATOM 1107 CA GLY A 71 10.691 11.450 3.412 1.00 0.00 C ATOM 1108 C GLY A 71 10.064 10.429 4.353 1.00 0.00 C ATOM 1109 O GLY A 71 10.680 9.423 4.699 1.00 0.00 O ATOM 0 H GLY A 71 9.702 12.467 1.888 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.734 11.187 3.234 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.686 12.432 3.886 1.00 0.00 H new ATOM 1113 N ASN A 72 8.821 10.676 4.763 1.00 0.00 N ATOM 1114 CA ASN A 72 8.117 9.840 5.726 1.00 0.00 C ATOM 1115 C ASN A 72 7.878 8.428 5.203 1.00 0.00 C ATOM 1116 O ASN A 72 7.962 7.477 5.980 1.00 0.00 O ATOM 1117 CB ASN A 72 6.793 10.505 6.115 1.00 0.00 C ATOM 1118 CG ASN A 72 7.003 11.522 7.230 1.00 0.00 C ATOM 1119 OD1 ASN A 72 8.037 12.178 7.326 1.00 0.00 O ATOM 1120 ND2 ASN A 72 6.045 11.613 8.125 1.00 0.00 N ATOM 0 H ASN A 72 8.272 11.469 4.432 1.00 0.00 H new ATOM 0 HA ASN A 72 8.750 9.744 6.608 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.359 10.998 5.245 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.081 9.746 6.439 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.150 12.240 8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.196 11.057 8.022 1.00 0.00 H new ATOM 1127 N ALA A 73 7.601 8.275 3.905 1.00 0.00 N ATOM 1128 CA ALA A 73 7.541 6.977 3.252 1.00 0.00 C ATOM 1129 C ALA A 73 8.850 6.196 3.450 1.00 0.00 C ATOM 1130 O ALA A 73 8.809 5.014 3.800 1.00 0.00 O ATOM 1131 CB ALA A 73 7.176 7.156 1.775 1.00 0.00 C ATOM 0 H ALA A 73 7.412 9.058 3.279 1.00 0.00 H new ATOM 0 HA ALA A 73 6.757 6.377 3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.132 6.181 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.204 7.644 1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.931 7.771 1.286 1.00 0.00 H new ATOM 1137 N MET A 74 10.005 6.832 3.234 1.00 0.00 N ATOM 1138 CA MET A 74 11.302 6.189 3.390 1.00 0.00 C ATOM 1139 C MET A 74 11.602 5.893 4.861 1.00 0.00 C ATOM 1140 O MET A 74 12.133 4.828 5.173 1.00 0.00 O ATOM 1141 CB MET A 74 12.396 7.064 2.762 1.00 0.00 C ATOM 1142 CG MET A 74 13.761 6.412 3.000 1.00 0.00 C ATOM 1143 SD MET A 74 15.062 6.794 1.815 1.00 0.00 S ATOM 1144 CE MET A 74 14.443 5.837 0.402 1.00 0.00 C ATOM 0 H MET A 74 10.061 7.809 2.946 1.00 0.00 H new ATOM 0 HA MET A 74 11.281 5.232 2.869 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.217 7.180 1.693 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.375 8.062 3.199 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.108 6.703 3.991 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.623 5.331 3.016 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.124 5.011 0.196 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.454 5.442 0.635 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.379 6.482 -0.474 1.00 0.00 H new ATOM 1154 N GLU A 75 11.271 6.811 5.767 1.00 0.00 N ATOM 1155 CA GLU A 75 11.484 6.618 7.197 1.00 0.00 C ATOM 1156 C GLU A 75 10.734 5.382 7.669 1.00 0.00 C ATOM 1157 O GLU A 75 11.306 4.556 8.374 1.00 0.00 O ATOM 1158 CB GLU A 75 11.022 7.845 7.982 1.00 0.00 C ATOM 1159 CG GLU A 75 11.985 9.028 7.782 1.00 0.00 C ATOM 1160 CD GLU A 75 13.263 8.926 8.625 1.00 0.00 C ATOM 1161 OE1 GLU A 75 14.156 8.102 8.309 1.00 0.00 O ATOM 1162 OE2 GLU A 75 13.393 9.704 9.596 1.00 0.00 O ATOM 0 H GLU A 75 10.848 7.708 5.529 1.00 0.00 H new ATOM 0 HA GLU A 75 12.551 6.479 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.020 8.130 7.660 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.959 7.599 9.042 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.258 9.090 6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.467 9.954 8.032 1.00 0.00 H new ATOM 1169 N PHE A 76 9.472 5.237 7.249 1.00 0.00 N ATOM 1170 CA PHE A 76 8.653 4.079 7.559 1.00 0.00 C ATOM 1171 C PHE A 76 9.381 2.791 7.161 1.00 0.00 C ATOM 1172 O PHE A 76 9.455 1.871 7.978 1.00 0.00 O ATOM 1173 CB PHE A 76 7.285 4.223 6.877 1.00 0.00 C ATOM 1174 CG PHE A 76 6.310 3.128 7.248 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.779 3.084 8.547 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.958 2.139 6.315 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.894 2.046 8.903 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.080 1.102 6.670 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.537 1.059 7.962 1.00 0.00 C ATOM 0 H PHE A 76 8.993 5.933 6.678 1.00 0.00 H new ATOM 0 HA PHE A 76 8.479 4.020 8.633 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.854 5.188 7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.425 4.224 5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.047 3.841 9.269 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.366 2.176 5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.487 2.007 9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.824 0.339 5.949 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.848 0.273 8.235 1.00 0.00 H new ATOM 1189 N ALA A 77 9.966 2.744 5.957 1.00 0.00 N ATOM 1190 CA ALA A 77 10.748 1.607 5.493 1.00 0.00 C ATOM 1191 C ALA A 77 11.933 1.335 6.426 1.00 0.00 C ATOM 1192 O ALA A 77 12.005 0.258 7.026 1.00 0.00 O ATOM 1193 CB ALA A 77 11.211 1.813 4.047 1.00 0.00 C ATOM 0 H ALA A 77 9.905 3.503 5.278 1.00 0.00 H new ATOM 0 HA ALA A 77 10.106 0.727 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.793 0.950 3.725 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.342 1.927 3.399 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.828 2.709 3.987 1.00 0.00 H new ATOM 1199 N LYS A 78 12.875 2.283 6.542 1.00 0.00 N ATOM 1200 CA LYS A 78 14.123 2.093 7.271 1.00 0.00 C ATOM 1201 C LYS A 78 13.837 1.661 8.695 1.00 0.00 C ATOM 1202 O LYS A 78 14.455 0.709 9.169 1.00 0.00 O ATOM 1203 CB LYS A 78 14.931 3.397 7.285 1.00 0.00 C ATOM 1204 CG LYS A 78 16.051 3.434 6.240 1.00 0.00 C ATOM 1205 CD LYS A 78 15.556 3.845 4.848 1.00 0.00 C ATOM 1206 CE LYS A 78 16.653 4.512 4.008 1.00 0.00 C ATOM 1207 NZ LYS A 78 17.142 5.772 4.612 1.00 0.00 N ATOM 0 H LYS A 78 12.784 3.210 6.126 1.00 0.00 H new ATOM 0 HA LYS A 78 14.701 1.317 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.256 4.235 7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.364 3.536 8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.822 4.132 6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.516 2.450 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.186 2.965 4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.715 4.531 4.953 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.488 3.821 3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.267 4.717 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.549 6.377 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.350 6.269 5.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.870 5.557 5.322 1.00 0.00 H new ATOM 1221 N LYS A 79 12.884 2.325 9.345 1.00 0.00 N ATOM 1222 CA LYS A 79 12.411 2.034 10.685 1.00 0.00 C ATOM 1223 C LYS A 79 12.165 0.549 10.891 1.00 0.00 C ATOM 1224 O LYS A 79 12.596 0.006 11.908 1.00 0.00 O ATOM 1225 CB LYS A 79 11.146 2.870 10.895 1.00 0.00 C ATOM 1226 CG LYS A 79 10.332 2.521 12.140 1.00 0.00 C ATOM 1227 CD LYS A 79 9.133 3.469 12.248 1.00 0.00 C ATOM 1228 CE LYS A 79 7.985 2.740 12.941 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.888 3.654 13.292 1.00 0.00 N ATOM 0 H LYS A 79 12.400 3.119 8.925 1.00 0.00 H new ATOM 0 HA LYS A 79 13.165 2.297 11.427 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.430 3.921 10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.506 2.757 10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.989 1.488 12.085 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.956 2.603 13.030 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.408 4.361 12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.825 3.801 11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.607 1.953 12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.356 2.254 13.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.128 3.121 13.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.242 4.390 13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.517 4.099 12.428 1.00 0.00 H new ATOM 1243 N HIS A 80 11.446 -0.106 9.980 1.00 0.00 N ATOM 1244 CA HIS A 80 11.089 -1.503 10.160 1.00 0.00 C ATOM 1245 C HIS A 80 12.292 -2.442 10.019 1.00 0.00 C ATOM 1246 O HIS A 80 12.156 -3.612 10.368 1.00 0.00 O ATOM 1247 CB HIS A 80 9.962 -1.886 9.190 1.00 0.00 C ATOM 1248 CG HIS A 80 8.647 -1.259 9.548 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.417 0.071 9.790 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.469 -1.922 9.726 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.146 0.194 10.180 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.530 -0.997 10.178 1.00 0.00 N ATOM 0 H HIS A 80 11.103 0.311 9.115 1.00 0.00 H new ATOM 0 HA HIS A 80 10.731 -1.623 11.183 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.240 -1.584 8.180 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.851 -2.970 9.179 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.093 0.828 9.690 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.295 -2.973 9.549 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.678 1.126 10.459 1.00 0.00 H new ATOM 1260 N GLY A 81 13.436 -1.957 9.528 1.00 0.00 N ATOM 1261 CA GLY A 81 14.627 -2.745 9.242 1.00 0.00 C ATOM 1262 C GLY A 81 14.950 -2.782 7.749 1.00 0.00 C ATOM 1263 O GLY A 81 15.825 -3.547 7.341 1.00 0.00 O ATOM 0 H GLY A 81 13.557 -0.967 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.475 -2.328 9.785 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.484 -3.762 9.606 1.00 0.00 H new ATOM 1267 N ALA A 82 14.228 -2.025 6.906 1.00 0.00 N ATOM 1268 CA ALA A 82 14.446 -2.083 5.468 1.00 0.00 C ATOM 1269 C ALA A 82 15.818 -1.527 5.118 1.00 0.00 C ATOM 1270 O ALA A 82 16.330 -0.631 5.797 1.00 0.00 O ATOM 1271 CB ALA A 82 13.386 -1.289 4.706 1.00 0.00 C ATOM 0 H ALA A 82 13.498 -1.376 7.200 1.00 0.00 H new ATOM 0 HA ALA A 82 14.380 -3.131 5.175 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.581 -1.355 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.399 -1.700 4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.420 -0.245 5.017 1.00 0.00 H new ATOM 1277 N ASP A 83 16.349 -2.031 4.011 1.00 0.00 N ATOM 1278 CA ASP A 83 17.539 -1.529 3.358 1.00 0.00 C ATOM 1279 C ASP A 83 17.241 -0.175 2.742 1.00 0.00 C ATOM 1280 O ASP A 83 16.101 0.132 2.384 1.00 0.00 O ATOM 1281 CB ASP A 83 18.013 -2.434 2.206 1.00 0.00 C ATOM 1282 CG ASP A 83 17.762 -3.937 2.345 1.00 0.00 C ATOM 1283 OD1 ASP A 83 16.595 -4.358 2.499 1.00 0.00 O ATOM 1284 OD2 ASP A 83 18.728 -4.730 2.286 1.00 0.00 O ATOM 0 H ASP A 83 15.942 -2.832 3.529 1.00 0.00 H new ATOM 0 HA ASP A 83 18.313 -1.483 4.124 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.530 -2.095 1.290 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.084 -2.282 2.076 1.00 0.00 H new ATOM 1289 N GLU A 84 18.300 0.583 2.493 1.00 0.00 N ATOM 1290 CA GLU A 84 18.278 1.800 1.732 1.00 0.00 C ATOM 1291 C GLU A 84 17.784 1.563 0.311 1.00 0.00 C ATOM 1292 O GLU A 84 16.873 2.251 -0.134 1.00 0.00 O ATOM 1293 CB GLU A 84 19.694 2.375 1.737 1.00 0.00 C ATOM 1294 CG GLU A 84 19.601 3.890 1.621 1.00 0.00 C ATOM 1295 CD GLU A 84 20.954 4.593 1.684 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.986 3.979 1.327 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.953 5.766 2.124 1.00 0.00 O ATOM 0 H GLU A 84 19.231 0.347 2.835 1.00 0.00 H new ATOM 0 HA GLU A 84 17.582 2.507 2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.213 2.097 2.654 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.272 1.966 0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.112 4.144 0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.967 4.269 2.422 1.00 0.00 H new ATOM 1304 N THR A 85 18.364 0.581 -0.388 1.00 0.00 N ATOM 1305 CA THR A 85 18.024 0.293 -1.779 1.00 0.00 C ATOM 1306 C THR A 85 16.551 -0.097 -1.864 1.00 0.00 C ATOM 1307 O THR A 85 15.832 0.463 -2.684 1.00 0.00 O ATOM 1308 CB THR A 85 18.944 -0.811 -2.317 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.295 -0.420 -2.142 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.741 -1.064 -3.815 1.00 0.00 C ATOM 0 H THR A 85 19.081 -0.034 -0.003 1.00 0.00 H new ATOM 0 HA THR A 85 18.175 1.177 -2.399 1.00 0.00 H new ATOM 0 HB THR A 85 18.702 -1.720 -1.766 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.886 -1.124 -2.483 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.416 -1.854 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.710 -1.368 -3.996 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.953 -0.150 -4.370 1.00 0.00 H new ATOM 1318 N MET A 86 16.093 -0.992 -0.980 1.00 0.00 N ATOM 1319 CA MET A 86 14.689 -1.348 -0.876 1.00 0.00 C ATOM 1320 C MET A 86 13.865 -0.084 -0.669 1.00 0.00 C ATOM 1321 O MET A 86 12.939 0.165 -1.423 1.00 0.00 O ATOM 1322 CB MET A 86 14.480 -2.386 0.246 1.00 0.00 C ATOM 1323 CG MET A 86 13.016 -2.443 0.725 1.00 0.00 C ATOM 1324 SD MET A 86 12.356 -4.067 1.189 1.00 0.00 S ATOM 1325 CE MET A 86 13.200 -4.317 2.760 1.00 0.00 C ATOM 0 H MET A 86 16.694 -1.486 -0.320 1.00 0.00 H new ATOM 0 HA MET A 86 14.350 -1.817 -1.800 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.781 -3.370 -0.112 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.126 -2.142 1.089 1.00 0.00 H new ATOM 0 HG2 MET A 86 12.916 -1.780 1.584 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.386 -2.036 -0.066 1.00 0.00 H new ATOM 0 HE1 MET A 86 13.419 -5.377 2.891 1.00 0.00 H new ATOM 0 HE2 MET A 86 14.131 -3.750 2.767 1.00 0.00 H new ATOM 0 HE3 MET A 86 12.561 -3.976 3.575 1.00 0.00 H new ATOM 1335 N ALA A 87 14.157 0.726 0.341 1.00 0.00 N ATOM 1336 CA ALA A 87 13.356 1.909 0.596 1.00 0.00 C ATOM 1337 C ALA A 87 13.353 2.884 -0.587 1.00 0.00 C ATOM 1338 O ALA A 87 12.344 3.558 -0.789 1.00 0.00 O ATOM 1339 CB ALA A 87 13.828 2.521 1.904 1.00 0.00 C ATOM 0 H ALA A 87 14.933 0.586 0.988 1.00 0.00 H new ATOM 0 HA ALA A 87 12.306 1.636 0.701 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.242 3.414 2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.701 1.799 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.881 2.790 1.821 1.00 0.00 H new ATOM 1345 N GLN A 88 14.438 2.966 -1.363 1.00 0.00 N ATOM 1346 CA GLN A 88 14.456 3.740 -2.592 1.00 0.00 C ATOM 1347 C GLN A 88 13.483 3.104 -3.583 1.00 0.00 C ATOM 1348 O GLN A 88 12.592 3.807 -4.044 1.00 0.00 O ATOM 1349 CB GLN A 88 15.882 3.873 -3.159 1.00 0.00 C ATOM 1350 CG GLN A 88 16.096 5.192 -3.924 1.00 0.00 C ATOM 1351 CD GLN A 88 15.126 5.401 -5.087 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.201 4.727 -6.109 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.190 6.329 -4.961 1.00 0.00 N ATOM 0 H GLN A 88 15.320 2.498 -1.152 1.00 0.00 H new ATOM 0 HA GLN A 88 14.129 4.760 -2.390 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.601 3.811 -2.342 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.083 3.034 -3.825 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.996 6.024 -3.227 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.116 5.217 -4.306 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.135 6.885 -4.108 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.524 6.488 -5.717 1.00 0.00 H new ATOM 1362 N GLN A 89 13.616 1.806 -3.878 1.00 0.00 N ATOM 1363 CA GLN A 89 12.736 1.039 -4.740 1.00 0.00 C ATOM 1364 C GLN A 89 11.275 1.263 -4.367 1.00 0.00 C ATOM 1365 O GLN A 89 10.526 1.727 -5.213 1.00 0.00 O ATOM 1366 CB GLN A 89 13.157 -0.441 -4.690 1.00 0.00 C ATOM 1367 CG GLN A 89 14.398 -0.663 -5.553 1.00 0.00 C ATOM 1368 CD GLN A 89 14.735 -2.128 -5.791 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.356 -2.795 -4.964 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.385 -2.630 -6.957 1.00 0.00 N ATOM 0 H GLN A 89 14.379 1.244 -3.500 1.00 0.00 H new ATOM 0 HA GLN A 89 12.829 1.378 -5.772 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.363 -0.734 -3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.341 -1.071 -5.043 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.250 -0.174 -6.516 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.250 -0.178 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 89 13.871 -2.057 -7.625 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.628 -3.592 -7.192 1.00 0.00 H new ATOM 1379 N LEU A 90 10.877 1.023 -3.116 1.00 0.00 N ATOM 1380 CA LEU A 90 9.542 1.274 -2.603 1.00 0.00 C ATOM 1381 C LEU A 90 9.042 2.646 -3.017 1.00 0.00 C ATOM 1382 O LEU A 90 7.965 2.731 -3.597 1.00 0.00 O ATOM 1383 CB LEU A 90 9.549 1.117 -1.076 1.00 0.00 C ATOM 1384 CG LEU A 90 9.397 -0.330 -0.580 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.074 -1.417 -1.373 1.00 0.00 C ATOM 1386 CD2 LEU A 90 9.754 -0.440 0.909 1.00 0.00 C ATOM 0 H LEU A 90 11.504 0.634 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 90 8.853 0.545 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.482 1.524 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.740 1.717 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 90 8.338 -0.531 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.880 -2.383 -0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.684 -1.421 -2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 90 11.148 -1.235 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.638 -1.474 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.787 -0.125 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.091 0.201 1.490 1.00 0.00 H new ATOM 1398 N ILE A 91 9.779 3.724 -2.740 1.00 0.00 N ATOM 1399 CA ILE A 91 9.284 5.036 -3.124 1.00 0.00 C ATOM 1400 C ILE A 91 9.319 5.195 -4.637 1.00 0.00 C ATOM 1401 O ILE A 91 8.404 5.803 -5.169 1.00 0.00 O ATOM 1402 CB ILE A 91 9.976 6.182 -2.354 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.315 6.316 -0.965 1.00 0.00 C ATOM 1404 CG2 ILE A 91 9.803 7.532 -3.076 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.878 5.338 0.062 1.00 0.00 C ATOM 0 H ILE A 91 10.684 3.714 -2.270 1.00 0.00 H new ATOM 0 HA ILE A 91 8.238 5.108 -2.826 1.00 0.00 H new ATOM 0 HB ILE A 91 11.037 5.945 -2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.451 7.334 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.242 6.153 -1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.302 8.316 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.242 7.471 -4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.742 7.766 -3.161 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.373 5.482 1.017 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.718 4.316 -0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.946 5.516 0.186 1.00 0.00 H new ATOM 1417 N ASP A 92 10.313 4.688 -5.348 1.00 0.00 N ATOM 1418 CA ASP A 92 10.391 4.856 -6.792 1.00 0.00 C ATOM 1419 C ASP A 92 9.229 4.165 -7.504 1.00 0.00 C ATOM 1420 O ASP A 92 8.731 4.674 -8.514 1.00 0.00 O ATOM 1421 CB ASP A 92 11.727 4.308 -7.289 1.00 0.00 C ATOM 1422 CG ASP A 92 11.963 4.672 -8.747 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.957 5.880 -9.083 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.291 3.779 -9.556 1.00 0.00 O ATOM 0 H ASP A 92 11.083 4.153 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 92 10.321 5.919 -7.022 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.536 4.705 -6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.744 3.224 -7.175 1.00 0.00 H new ATOM 1429 N ILE A 93 8.773 3.033 -6.960 1.00 0.00 N ATOM 1430 CA ILE A 93 7.685 2.246 -7.488 1.00 0.00 C ATOM 1431 C ILE A 93 6.359 2.873 -7.052 1.00 0.00 C ATOM 1432 O ILE A 93 5.534 3.150 -7.918 1.00 0.00 O ATOM 1433 CB ILE A 93 7.841 0.776 -7.046 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.193 0.159 -7.490 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.721 -0.015 -7.734 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.763 -0.997 -6.648 1.00 0.00 C ATOM 0 H ILE A 93 9.174 2.636 -6.110 1.00 0.00 H new ATOM 0 HA ILE A 93 7.698 2.243 -8.578 1.00 0.00 H new ATOM 0 HB ILE A 93 7.798 0.734 -5.958 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.079 -0.196 -8.514 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.935 0.957 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.790 -1.065 -7.451 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.753 0.381 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.822 0.076 -8.815 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.710 -1.327 -7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.926 -0.656 -5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.057 -1.828 -6.645 1.00 0.00 H new ATOM 1448 N VAL A 94 6.152 3.130 -5.753 1.00 0.00 N ATOM 1449 CA VAL A 94 4.947 3.778 -5.233 1.00 0.00 C ATOM 1450 C VAL A 94 4.782 5.131 -5.930 1.00 0.00 C ATOM 1451 O VAL A 94 3.772 5.379 -6.587 1.00 0.00 O ATOM 1452 CB VAL A 94 4.999 3.887 -3.685 1.00 0.00 C ATOM 1453 CG1 VAL A 94 3.827 4.697 -3.120 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.894 2.505 -3.024 1.00 0.00 C ATOM 0 H VAL A 94 6.827 2.889 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 94 4.065 3.176 -5.452 1.00 0.00 H new ATOM 0 HB VAL A 94 5.951 4.372 -3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.908 4.745 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.851 5.706 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.887 4.217 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.934 2.616 -1.940 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.951 2.037 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.723 1.879 -3.355 1.00 0.00 H new ATOM 1464 N HIS A 95 5.793 5.998 -5.870 1.00 0.00 N ATOM 1465 CA HIS A 95 5.730 7.318 -6.471 1.00 0.00 C ATOM 1466 C HIS A 95 5.479 7.209 -7.988 1.00 0.00 C ATOM 1467 O HIS A 95 4.756 8.033 -8.559 1.00 0.00 O ATOM 1468 CB HIS A 95 7.001 8.130 -6.205 1.00 0.00 C ATOM 1469 CG HIS A 95 6.817 9.589 -6.510 1.00 0.00 C ATOM 1470 ND1 HIS A 95 7.709 10.393 -7.182 1.00 0.00 N ATOM 1471 CD2 HIS A 95 5.724 10.348 -6.188 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.152 11.610 -7.268 1.00 0.00 C ATOM 1473 NE2 HIS A 95 5.940 11.629 -6.689 1.00 0.00 N ATOM 0 H HIS A 95 6.677 5.799 -5.401 1.00 0.00 H new ATOM 0 HA HIS A 95 4.897 7.845 -6.006 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.293 8.013 -5.161 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.816 7.734 -6.811 1.00 0.00 H new ATOM 0 HD1 HIS A 95 8.621 10.116 -7.546 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.853 10.014 -5.644 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.617 12.463 -7.741 1.00 0.00 H new ATOM 1481 N GLY A 96 6.067 6.182 -8.621 1.00 0.00 N ATOM 1482 CA GLY A 96 5.929 5.772 -10.017 1.00 0.00 C ATOM 1483 C GLY A 96 4.699 4.896 -10.280 1.00 0.00 C ATOM 1484 O GLY A 96 4.650 4.173 -11.278 1.00 0.00 O ATOM 0 H GLY A 96 6.707 5.566 -8.119 1.00 0.00 H new ATOM 0 HA2 GLY A 96 5.872 6.662 -10.644 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.824 5.227 -10.317 1.00 0.00 H new ATOM 1488 N CYS A 97 3.697 4.982 -9.411 1.00 0.00 N ATOM 1489 CA CYS A 97 2.358 4.446 -9.538 1.00 0.00 C ATOM 1490 C CYS A 97 1.414 5.596 -9.207 1.00 0.00 C ATOM 1491 O CYS A 97 0.603 5.906 -10.073 1.00 0.00 O ATOM 1492 CB CYS A 97 2.200 3.208 -8.637 1.00 0.00 C ATOM 1493 SG CYS A 97 2.814 1.631 -9.309 1.00 0.00 S ATOM 0 H CYS A 97 3.818 5.472 -8.525 1.00 0.00 H new ATOM 0 HA CYS A 97 2.130 4.085 -10.541 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.716 3.402 -7.697 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.142 3.090 -8.402 1.00 0.00 H new ATOM 1498 N GLU A 98 1.572 6.333 -8.093 1.00 0.00 N ATOM 1499 CA GLU A 98 0.731 7.460 -7.679 1.00 0.00 C ATOM 1500 C GLU A 98 0.344 8.432 -8.807 1.00 0.00 C ATOM 1501 O GLU A 98 -0.733 9.015 -8.751 1.00 0.00 O ATOM 1502 CB GLU A 98 1.398 8.239 -6.521 1.00 0.00 C ATOM 1503 CG GLU A 98 0.639 8.124 -5.189 1.00 0.00 C ATOM 1504 CD GLU A 98 1.140 7.041 -4.237 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.552 5.979 -4.736 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.060 7.263 -3.003 1.00 0.00 O ATOM 0 H GLU A 98 2.325 6.147 -7.430 1.00 0.00 H new ATOM 0 HA GLU A 98 -0.203 7.006 -7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.415 7.871 -6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.474 9.291 -6.797 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.691 9.085 -4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -0.412 7.935 -5.405 1.00 0.00 H new ATOM 1513 N LYS A 99 1.173 8.609 -9.843 1.00 0.00 N ATOM 1514 CA LYS A 99 0.783 9.375 -11.032 1.00 0.00 C ATOM 1515 C LYS A 99 0.908 8.573 -12.317 1.00 0.00 C ATOM 1516 O LYS A 99 0.232 8.901 -13.296 1.00 0.00 O ATOM 1517 CB LYS A 99 1.573 10.686 -11.140 1.00 0.00 C ATOM 1518 CG LYS A 99 1.330 11.645 -9.968 1.00 0.00 C ATOM 1519 CD LYS A 99 2.282 11.510 -8.769 1.00 0.00 C ATOM 1520 CE LYS A 99 3.725 11.929 -9.056 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.625 10.805 -9.389 1.00 0.00 N ATOM 0 H LYS A 99 2.120 8.231 -9.881 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.273 9.614 -10.903 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.637 10.456 -11.196 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.305 11.187 -12.070 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.395 12.667 -10.343 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.310 11.500 -9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.898 12.114 -7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.278 10.473 -8.433 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.728 12.640 -9.882 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.120 12.451 -8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.614 11.115 -9.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.452 10.016 -8.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.443 10.492 -10.364 1.00 0.00 H new ATOM 1535 N SER A 100 1.789 7.576 -12.377 1.00 0.00 N ATOM 1536 CA SER A 100 1.964 6.794 -13.593 1.00 0.00 C ATOM 1537 C SER A 100 0.717 5.974 -13.899 1.00 0.00 C ATOM 1538 O SER A 100 0.355 5.833 -15.071 1.00 0.00 O ATOM 1539 CB SER A 100 3.207 5.912 -13.468 1.00 0.00 C ATOM 1540 OG SER A 100 4.062 6.184 -14.564 1.00 0.00 O ATOM 0 H SER A 100 2.388 7.294 -11.601 1.00 0.00 H new ATOM 0 HA SER A 100 2.112 7.472 -14.433 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.721 6.112 -12.528 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.925 4.859 -13.459 1.00 0.00 H new ATOM 0 HG SER A 100 4.866 5.627 -14.498 1.00 0.00 H new ATOM 1546 N THR A 101 0.036 5.479 -12.868 1.00 0.00 N ATOM 1547 CA THR A 101 -1.231 4.808 -12.998 1.00 0.00 C ATOM 1548 C THR A 101 -2.251 5.826 -13.537 1.00 0.00 C ATOM 1549 O THR A 101 -2.442 6.882 -12.931 1.00 0.00 O ATOM 1550 CB THR A 101 -1.593 4.252 -11.620 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.782 3.132 -11.345 1.00 0.00 O ATOM 1552 CG2 THR A 101 -3.043 3.799 -11.516 1.00 0.00 C ATOM 0 H THR A 101 0.366 5.540 -11.905 1.00 0.00 H new ATOM 0 HA THR A 101 -1.210 3.973 -13.698 1.00 0.00 H new ATOM 0 HB THR A 101 -1.437 5.064 -10.909 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.010 3.417 -10.843 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.233 3.416 -10.514 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.703 4.644 -11.713 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.232 3.013 -12.247 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.893 5.536 -14.676 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.095 6.240 -15.079 1.00 0.00 C ATOM 1562 C PRO A 102 -5.249 5.745 -14.219 1.00 0.00 C ATOM 1563 O PRO A 102 -5.303 4.564 -13.869 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.268 5.875 -16.549 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.711 4.450 -16.641 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.688 4.364 -15.514 1.00 0.00 C ATOM 0 HA PRO A 102 -4.051 7.322 -14.954 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.315 5.915 -16.851 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.723 6.560 -17.198 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.499 3.707 -16.518 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.249 4.267 -17.611 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.822 3.448 -14.938 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.674 4.345 -15.912 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.188 6.626 -13.890 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.369 6.270 -13.129 1.00 0.00 C ATOM 1576 C ALA A 103 -8.474 7.284 -13.362 1.00 0.00 C ATOM 1577 O ALA A 103 -8.248 8.327 -13.984 1.00 0.00 O ATOM 1578 CB ALA A 103 -7.010 6.225 -11.647 1.00 0.00 C ATOM 0 H ALA A 103 -6.146 7.612 -14.148 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.725 5.292 -13.453 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.893 5.958 -11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.230 5.481 -11.484 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.650 7.204 -11.330 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.669 7.009 -12.837 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.667 8.049 -12.677 1.00 0.00 C ATOM 1586 C ASN A 104 -10.155 9.101 -11.692 1.00 0.00 C ATOM 1587 O ASN A 104 -9.212 8.853 -10.944 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.934 7.503 -12.043 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.528 6.294 -12.714 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.350 5.989 -13.887 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -13.191 5.544 -11.873 1.00 0.00 N ATOM 0 H ASN A 104 -9.960 6.084 -12.521 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.864 8.455 -13.669 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -11.720 7.251 -11.004 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.683 8.295 -12.031 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -13.589 4.658 -12.184 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -13.310 5.845 -10.906 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.913 10.180 -11.542 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.862 11.059 -10.372 1.00 0.00 C ATOM 1600 C ASP A 105 -11.421 10.393 -9.111 1.00 0.00 C ATOM 1601 O ASP A 105 -11.363 10.977 -8.030 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.612 12.353 -10.650 1.00 0.00 C ATOM 1603 CG ASP A 105 -10.998 13.593 -9.986 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -9.817 13.582 -9.571 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -11.673 14.643 -9.987 1.00 0.00 O ATOM 0 H ASP A 105 -11.594 10.477 -12.241 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.810 11.276 -10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.650 12.513 -11.727 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.641 12.244 -10.308 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.985 9.182 -9.224 1.00 0.00 N ATOM 1611 CA ASP A 106 -12.303 8.364 -8.062 1.00 0.00 C ATOM 1612 C ASP A 106 -10.996 7.991 -7.376 1.00 0.00 C ATOM 1613 O ASP A 106 -10.276 7.094 -7.826 1.00 0.00 O ATOM 1614 CB ASP A 106 -13.062 7.072 -8.419 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.584 6.374 -7.158 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -13.281 6.795 -6.018 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.358 5.410 -7.295 1.00 0.00 O ATOM 0 H ASP A 106 -12.228 8.752 -10.116 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.957 8.948 -7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.896 7.307 -9.080 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -12.402 6.398 -8.965 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.648 8.689 -6.302 1.00 0.00 N ATOM 1623 CA LYS A 107 -9.530 8.405 -5.436 1.00 0.00 C ATOM 1624 C LYS A 107 -9.459 6.939 -5.005 1.00 0.00 C ATOM 1625 O LYS A 107 -8.345 6.424 -4.892 1.00 0.00 O ATOM 1626 CB LYS A 107 -9.637 9.359 -4.241 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.611 10.476 -4.378 1.00 0.00 C ATOM 1628 CD LYS A 107 -8.686 11.327 -5.653 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.285 11.531 -6.243 1.00 0.00 C ATOM 1630 NZ LYS A 107 -7.368 12.080 -7.607 1.00 0.00 N ATOM 0 H LYS A 107 -11.172 9.511 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.597 8.568 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.641 9.780 -4.189 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.472 8.813 -3.312 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.713 11.140 -3.519 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -7.616 10.033 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.329 10.839 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.137 12.293 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.713 12.207 -5.608 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.751 10.581 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.409 12.210 -7.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.895 11.421 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -7.858 12.997 -7.583 1.00 0.00 H new ATOM 1644 N CYS A 108 -10.599 6.259 -4.825 1.00 0.00 N ATOM 1645 CA CYS A 108 -10.577 4.846 -4.487 1.00 0.00 C ATOM 1646 C CYS A 108 -10.013 4.035 -5.652 1.00 0.00 C ATOM 1647 O CYS A 108 -9.191 3.156 -5.428 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.961 4.319 -4.078 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.856 5.213 -2.782 1.00 0.00 S ATOM 0 H CYS A 108 -11.531 6.665 -4.908 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.927 4.729 -3.620 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -12.589 4.302 -4.968 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.843 3.286 -3.752 1.00 0.00 H new ATOM 1654 N ILE A 109 -10.470 4.291 -6.880 1.00 0.00 N ATOM 1655 CA ILE A 109 -10.059 3.558 -8.082 1.00 0.00 C ATOM 1656 C ILE A 109 -8.570 3.797 -8.311 1.00 0.00 C ATOM 1657 O ILE A 109 -7.821 2.852 -8.534 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.901 3.988 -9.294 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -12.376 3.611 -9.037 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -10.392 3.444 -10.643 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.830 2.210 -9.420 1.00 0.00 C ATOM 0 H ILE A 109 -11.149 5.028 -7.071 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.228 2.490 -7.946 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.806 5.069 -9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.576 3.749 -7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -13.002 4.324 -9.574 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -11.042 3.794 -11.445 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.376 3.798 -10.818 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.397 2.354 -10.621 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.887 2.092 -9.181 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.680 2.059 -10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -12.248 1.474 -8.865 1.00 0.00 H new ATOM 1673 N TRP A 110 -8.158 5.065 -8.242 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.796 5.514 -8.326 1.00 0.00 C ATOM 1675 C TRP A 110 -5.886 4.717 -7.407 1.00 0.00 C ATOM 1676 O TRP A 110 -5.063 3.958 -7.920 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.818 7.015 -8.070 1.00 0.00 C ATOM 1678 CG TRP A 110 -5.490 7.643 -7.958 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.575 7.671 -8.941 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.886 8.267 -6.797 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -3.430 8.283 -8.473 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -3.561 8.650 -7.149 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -5.317 8.521 -5.479 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -2.693 9.242 -6.224 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -4.446 9.105 -4.541 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -3.133 9.451 -4.909 1.00 0.00 C ATOM 0 H TRP A 110 -8.814 5.836 -8.119 1.00 0.00 H new ATOM 0 HA TRP A 110 -6.365 5.338 -9.312 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -7.366 7.499 -8.878 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -7.372 7.204 -7.151 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.713 7.278 -9.937 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.593 8.444 -9.034 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -6.325 8.265 -5.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -1.696 9.534 -6.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -4.787 9.289 -3.533 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.463 9.878 -4.178 1.00 0.00 H new ATOM 1697 N THR A 111 -6.052 4.814 -6.085 1.00 0.00 N ATOM 1698 CA THR A 111 -5.120 4.120 -5.207 1.00 0.00 C ATOM 1699 C THR A 111 -5.198 2.588 -5.391 1.00 0.00 C ATOM 1700 O THR A 111 -4.209 1.898 -5.151 1.00 0.00 O ATOM 1701 CB THR A 111 -5.270 4.581 -3.754 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.024 5.973 -3.669 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.245 3.889 -2.852 1.00 0.00 C ATOM 0 H THR A 111 -6.790 5.342 -5.619 1.00 0.00 H new ATOM 0 HA THR A 111 -4.106 4.395 -5.498 1.00 0.00 H new ATOM 0 HB THR A 111 -6.282 4.334 -3.432 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.335 6.411 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.372 4.233 -1.826 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.393 2.810 -2.894 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.238 4.130 -3.193 1.00 0.00 H new ATOM 1711 N LEU A 112 -6.321 2.034 -5.877 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.413 0.625 -6.239 1.00 0.00 C ATOM 1713 C LEU A 112 -5.366 0.293 -7.305 1.00 0.00 C ATOM 1714 O LEU A 112 -4.530 -0.586 -7.098 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.823 0.301 -6.764 1.00 0.00 C ATOM 1716 CG LEU A 112 -8.372 -1.078 -6.404 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -9.483 -1.434 -7.401 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.366 -2.223 -6.409 1.00 0.00 C ATOM 0 H LEU A 112 -7.185 2.556 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.223 0.020 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.512 1.055 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.815 0.395 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.715 -0.985 -5.373 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.888 -2.417 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.277 -0.690 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.074 -1.448 -8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.870 -3.151 -6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.932 -2.322 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.575 -2.016 -5.688 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.397 1.002 -8.435 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.496 0.765 -9.553 1.00 0.00 C ATOM 1732 C GLY A 113 -3.047 1.036 -9.167 1.00 0.00 C ATOM 1733 O GLY A 113 -2.163 0.281 -9.576 1.00 0.00 O ATOM 0 H GLY A 113 -6.057 1.763 -8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.597 -0.266 -9.891 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.777 1.404 -10.390 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.814 2.080 -8.364 1.00 0.00 N ATOM 1738 CA VAL A 114 -1.504 2.450 -7.841 1.00 0.00 C ATOM 1739 C VAL A 114 -0.941 1.246 -7.084 1.00 0.00 C ATOM 1740 O VAL A 114 0.142 0.740 -7.384 1.00 0.00 O ATOM 1741 CB VAL A 114 -1.660 3.699 -6.941 1.00 0.00 C ATOM 1742 CG1 VAL A 114 -0.455 4.013 -6.051 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -2.001 4.968 -7.740 1.00 0.00 C ATOM 0 H VAL A 114 -3.557 2.706 -8.054 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.805 2.709 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 114 -2.491 3.421 -6.293 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -0.662 4.905 -5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -0.266 3.171 -5.385 1.00 0.00 H new ATOM 0 HG13 VAL A 114 0.422 4.187 -6.674 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -2.099 5.812 -7.058 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -1.206 5.171 -8.457 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.941 4.821 -8.272 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.689 0.749 -6.102 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.216 -0.349 -5.292 1.00 0.00 C ATOM 1755 C ALA A 115 -1.119 -1.637 -6.102 1.00 0.00 C ATOM 1756 O ALA A 115 -0.199 -2.410 -5.882 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.121 -0.506 -4.091 1.00 0.00 C ATOM 0 H ALA A 115 -2.617 1.092 -5.856 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.207 -0.129 -4.944 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.769 -1.334 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.110 0.413 -3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.138 -0.710 -4.426 1.00 0.00 H new ATOM 1763 N THR A 116 -1.981 -1.864 -7.091 1.00 0.00 N ATOM 1764 CA THR A 116 -1.963 -3.088 -7.874 1.00 0.00 C ATOM 1765 C THR A 116 -0.780 -3.128 -8.869 1.00 0.00 C ATOM 1766 O THR A 116 -0.448 -4.219 -9.354 1.00 0.00 O ATOM 1767 CB THR A 116 -3.361 -3.296 -8.490 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.330 -3.237 -7.465 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.566 -4.682 -9.098 1.00 0.00 C ATOM 0 H THR A 116 -2.708 -1.204 -7.368 1.00 0.00 H new ATOM 0 HA THR A 116 -1.768 -3.950 -7.236 1.00 0.00 H new ATOM 0 HB THR A 116 -3.452 -2.526 -9.256 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.441 -2.308 -7.173 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.572 -4.753 -9.511 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.836 -4.843 -9.891 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.437 -5.441 -8.326 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.079 -2.014 -9.150 1.00 0.00 N ATOM 1778 CA CYS A 117 1.259 -2.072 -9.757 1.00 0.00 C ATOM 1779 C CYS A 117 2.330 -2.287 -8.694 1.00 0.00 C ATOM 1780 O CYS A 117 3.185 -3.164 -8.857 1.00 0.00 O ATOM 1781 CB CYS A 117 1.574 -0.876 -10.665 1.00 0.00 C ATOM 1782 SG CYS A 117 1.165 0.823 -10.198 1.00 0.00 S ATOM 0 H CYS A 117 -0.416 -1.069 -8.967 1.00 0.00 H new ATOM 0 HA CYS A 117 1.262 -2.938 -10.419 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.647 -0.899 -10.853 1.00 0.00 H new ATOM 0 HB3 CYS A 117 1.079 -1.067 -11.617 1.00 0.00 H new ATOM 1787 N PHE A 118 2.245 -1.556 -7.584 1.00 0.00 N ATOM 1788 CA PHE A 118 3.092 -1.798 -6.411 1.00 0.00 C ATOM 1789 C PHE A 118 2.946 -3.232 -5.848 1.00 0.00 C ATOM 1790 O PHE A 118 3.772 -3.693 -5.076 1.00 0.00 O ATOM 1791 CB PHE A 118 2.848 -0.739 -5.330 1.00 0.00 C ATOM 1792 CG PHE A 118 3.778 -0.897 -4.142 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.146 -0.565 -4.262 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.308 -1.518 -2.963 1.00 0.00 C ATOM 1795 CE1 PHE A 118 6.025 -0.814 -3.194 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.208 -1.816 -1.926 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.566 -1.468 -2.040 1.00 0.00 C ATOM 0 H PHE A 118 1.591 -0.782 -7.470 1.00 0.00 H new ATOM 0 HA PHE A 118 4.125 -1.710 -6.746 1.00 0.00 H new ATOM 0 HB2 PHE A 118 2.980 0.253 -5.761 1.00 0.00 H new ATOM 0 HB3 PHE A 118 1.815 -0.803 -4.989 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.516 -0.120 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.261 -1.763 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.057 -0.501 -3.261 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.855 -2.315 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.254 -1.703 -1.241 1.00 0.00 H new ATOM 1807 N LYS A 119 1.923 -3.997 -6.223 1.00 0.00 N ATOM 1808 CA LYS A 119 1.800 -5.415 -5.911 1.00 0.00 C ATOM 1809 C LYS A 119 2.778 -6.185 -6.785 1.00 0.00 C ATOM 1810 O LYS A 119 3.679 -6.840 -6.277 1.00 0.00 O ATOM 1811 CB LYS A 119 0.342 -5.851 -6.163 1.00 0.00 C ATOM 1812 CG LYS A 119 0.056 -7.255 -5.624 1.00 0.00 C ATOM 1813 CD LYS A 119 -1.213 -7.891 -6.220 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.849 -8.822 -7.389 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.982 -9.062 -8.312 1.00 0.00 N ATOM 0 H LYS A 119 1.138 -3.637 -6.766 1.00 0.00 H new ATOM 0 HA LYS A 119 2.039 -5.617 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -0.335 -5.138 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.137 -5.826 -7.233 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.910 -7.898 -5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.046 -7.206 -4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.741 -8.453 -5.450 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.890 -7.110 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.019 -8.388 -7.947 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.503 -9.776 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.645 -9.582 -9.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.712 -9.622 -7.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.386 -8.151 -8.611 1.00 0.00 H new ATOM 1829 N ALA A 120 2.587 -6.130 -8.107 1.00 0.00 N ATOM 1830 CA ALA A 120 3.228 -7.015 -9.073 1.00 0.00 C ATOM 1831 C ALA A 120 4.745 -7.029 -8.923 1.00 0.00 C ATOM 1832 O ALA A 120 5.369 -8.082 -8.976 1.00 0.00 O ATOM 1833 CB ALA A 120 2.852 -6.558 -10.483 1.00 0.00 C ATOM 0 H ALA A 120 1.965 -5.449 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 120 2.877 -8.031 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.325 -7.212 -11.216 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.770 -6.602 -10.603 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.193 -5.534 -10.637 1.00 0.00 H new ATOM 1839 N GLU A 121 5.330 -5.850 -8.753 1.00 0.00 N ATOM 1840 CA GLU A 121 6.760 -5.643 -8.580 1.00 0.00 C ATOM 1841 C GLU A 121 7.338 -6.497 -7.439 1.00 0.00 C ATOM 1842 O GLU A 121 8.370 -7.136 -7.641 1.00 0.00 O ATOM 1843 CB GLU A 121 6.981 -4.139 -8.398 1.00 0.00 C ATOM 1844 CG GLU A 121 6.343 -3.618 -7.100 1.00 0.00 C ATOM 1845 CD GLU A 121 7.385 -3.362 -6.011 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.316 -4.183 -5.910 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.277 -2.328 -5.330 1.00 0.00 O ATOM 0 H GLU A 121 4.800 -4.979 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 121 7.308 -5.981 -9.459 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.050 -3.928 -8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 121 6.560 -3.605 -9.249 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.802 -2.695 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.612 -4.342 -6.739 1.00 0.00 H new ATOM 1854 N ILE A 122 6.636 -6.604 -6.303 1.00 0.00 N ATOM 1855 CA ILE A 122 7.106 -7.292 -5.105 1.00 0.00 C ATOM 1856 C ILE A 122 7.259 -8.761 -5.479 1.00 0.00 C ATOM 1857 O ILE A 122 8.277 -9.388 -5.196 1.00 0.00 O ATOM 1858 CB ILE A 122 6.088 -7.125 -3.943 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.806 -5.652 -3.615 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.442 -7.862 -2.644 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.940 -4.848 -2.975 1.00 0.00 C ATOM 0 H ILE A 122 5.704 -6.203 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 122 8.053 -6.876 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 122 5.191 -7.600 -4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.515 -5.150 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 122 4.946 -5.614 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.667 -7.679 -1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.512 -8.932 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.399 -7.499 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.606 -3.826 -2.797 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.222 -5.308 -2.028 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.801 -4.837 -3.644 1.00 0.00 H new ATOM 1873 N HIS A 123 6.234 -9.309 -6.142 1.00 0.00 N ATOM 1874 CA HIS A 123 6.261 -10.671 -6.665 1.00 0.00 C ATOM 1875 C HIS A 123 7.439 -10.885 -7.635 1.00 0.00 C ATOM 1876 O HIS A 123 8.127 -11.904 -7.525 1.00 0.00 O ATOM 1877 CB HIS A 123 4.929 -11.034 -7.338 1.00 0.00 C ATOM 1878 CG HIS A 123 3.717 -11.077 -6.436 1.00 0.00 C ATOM 1879 ND1 HIS A 123 2.900 -12.168 -6.235 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.182 -10.036 -5.729 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.891 -11.786 -5.437 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.010 -10.488 -5.120 1.00 0.00 N ATOM 0 H HIS A 123 5.362 -8.815 -6.329 1.00 0.00 H new ATOM 0 HA HIS A 123 6.406 -11.339 -5.816 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.739 -10.313 -8.133 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.039 -12.010 -7.812 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.593 -9.040 -5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.095 -12.433 -5.098 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.370 -9.939 -4.546 1.00 0.00 H new ATOM 1890 N LYS A 124 7.733 -9.947 -8.556 1.00 0.00 N ATOM 1891 CA LYS A 124 8.943 -10.039 -9.378 1.00 0.00 C ATOM 1892 C LYS A 124 10.206 -10.068 -8.519 1.00 0.00 C ATOM 1893 O LYS A 124 11.047 -10.935 -8.745 1.00 0.00 O ATOM 1894 CB LYS A 124 9.052 -8.900 -10.395 1.00 0.00 C ATOM 1895 CG LYS A 124 8.202 -9.093 -11.649 1.00 0.00 C ATOM 1896 CD LYS A 124 6.791 -8.516 -11.605 1.00 0.00 C ATOM 1897 CE LYS A 124 6.226 -8.338 -13.020 1.00 0.00 C ATOM 1898 NZ LYS A 124 5.793 -9.607 -13.629 1.00 0.00 N ATOM 0 H LYS A 124 7.154 -9.129 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 124 8.857 -10.978 -9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.759 -7.968 -9.912 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.095 -8.791 -10.691 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.729 -8.645 -12.491 1.00 0.00 H new ATOM 0 HG3 LYS A 124 8.128 -10.162 -11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 124 6.142 -9.177 -11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 124 6.803 -7.555 -11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 124 5.380 -7.651 -12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 124 6.984 -7.877 -13.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 5.421 -9.425 -14.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.603 -10.256 -13.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 5.049 -10.037 -13.043 1.00 0.00 H new ATOM 1912 N LEU A 125 10.350 -9.143 -7.565 1.00 0.00 N ATOM 1913 CA LEU A 125 11.455 -9.106 -6.597 1.00 0.00 C ATOM 1914 C LEU A 125 11.451 -10.324 -5.657 1.00 0.00 C ATOM 1915 O LEU A 125 12.370 -10.461 -4.849 1.00 0.00 O ATOM 1916 CB LEU A 125 11.434 -7.787 -5.778 1.00 0.00 C ATOM 1917 CG LEU A 125 11.886 -6.532 -6.556 1.00 0.00 C ATOM 1918 CD1 LEU A 125 11.486 -5.215 -5.896 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.414 -6.495 -6.659 1.00 0.00 C ATOM 0 H LEU A 125 9.686 -8.379 -7.440 1.00 0.00 H new ATOM 0 HA LEU A 125 12.379 -9.145 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.422 -7.622 -5.408 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.077 -7.907 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 125 11.393 -6.615 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.840 -4.382 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.401 -5.166 -5.810 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.932 -5.155 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.720 -5.606 -7.210 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.846 -6.469 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.765 -7.384 -7.182 1.00 0.00 H new ATOM 1931 N ASN A 126 10.466 -11.225 -5.754 1.00 0.00 N ATOM 1932 CA ASN A 126 10.247 -12.373 -4.877 1.00 0.00 C ATOM 1933 C ASN A 126 10.228 -11.955 -3.406 1.00 0.00 C ATOM 1934 O ASN A 126 10.780 -12.632 -2.536 1.00 0.00 O ATOM 1935 CB ASN A 126 11.274 -13.474 -5.175 1.00 0.00 C ATOM 1936 CG ASN A 126 10.872 -14.805 -4.550 1.00 0.00 C ATOM 1937 OD1 ASN A 126 9.698 -15.156 -4.489 1.00 0.00 O ATOM 1938 ND2 ASN A 126 11.826 -15.613 -4.137 1.00 0.00 N ATOM 0 H ASN A 126 9.762 -11.166 -6.490 1.00 0.00 H new ATOM 0 HA ASN A 126 9.261 -12.791 -5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.376 -13.594 -6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.250 -13.174 -4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.590 -16.533 -3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.801 -15.319 -4.189 1.00 0.00 H new ATOM 1945 N TRP A 127 9.677 -10.777 -3.124 1.00 0.00 N ATOM 1946 CA TRP A 127 9.729 -10.101 -1.836 1.00 0.00 C ATOM 1947 C TRP A 127 8.595 -10.508 -0.884 1.00 0.00 C ATOM 1948 O TRP A 127 8.567 -10.024 0.250 1.00 0.00 O ATOM 1949 CB TRP A 127 9.805 -8.586 -2.069 1.00 0.00 C ATOM 1950 CG TRP A 127 11.156 -7.955 -2.230 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.363 -8.556 -2.299 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.432 -6.537 -2.376 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.359 -7.603 -2.364 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.837 -6.330 -2.451 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.613 -5.406 -2.476 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.396 -5.047 -2.566 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.144 -4.123 -2.645 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.538 -3.937 -2.674 1.00 0.00 C ATOM 0 H TRP A 127 9.158 -10.245 -3.823 1.00 0.00 H new ATOM 0 HA TRP A 127 10.632 -10.422 -1.317 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.224 -8.358 -2.963 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.308 -8.096 -1.232 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.525 -9.624 -2.303 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.357 -7.814 -2.349 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.541 -5.527 -2.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.468 -4.914 -2.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.484 -3.275 -2.753 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.949 -2.944 -2.779 1.00 0.00 H new ATOM 1969 N ALA A 128 7.717 -11.442 -1.264 1.00 0.00 N ATOM 1970 CA ALA A 128 6.717 -12.009 -0.366 1.00 0.00 C ATOM 1971 C ALA A 128 6.692 -13.526 -0.439 1.00 0.00 C ATOM 1972 O ALA A 128 7.292 -14.096 -1.373 1.00 0.00 O ATOM 1973 CB ALA A 128 5.341 -11.417 -0.685 1.00 0.00 C ATOM 0 H ALA A 128 7.683 -11.825 -2.209 1.00 0.00 H new ATOM 0 HA ALA A 128 6.986 -11.747 0.657 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.597 -11.843 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.371 -10.335 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.074 -11.651 -1.716 1.00 0.00 H new