USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 850 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 18 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 75 SER OG : rot -53:sc= -0.191 USER MOD Set 2.1: A 23 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 29 ASN : amide:sc= -2.29! C(o=-2.3!,f=-2.1!) USER MOD Single : A 1 MET CE :methyl -147:sc= -0.57 (180deg=-1.89) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0475) USER MOD Single : A 4 ASN : amide:sc= -0.138 K(o=-0.14,f=-1.7) USER MOD Single : A 7 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 144:sc= -0.407 (180deg=-3.07!) USER MOD Single : A 10 MET CE :methyl 130:sc= -0.177 (180deg=-0.898) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -2.87! C(o=-2.9!,f=-10!) USER MOD Single : A 24 TYR OH : rot 70:sc= -2.26! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.171) USER MOD Single : A 39 GLN : amide:sc= -4.97! C(o=-5!,f=-15!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl -158:sc= -1.9 (180deg=-2.58!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.063) USER MOD Single : A 62 THR OG1 : rot -62:sc= -6.13! USER MOD Single : A 63 THR OG1 : rot -140:sc= -2.58! USER MOD Single : A 66 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.1) USER MOD Single : A 73 SER OG : rot 180:sc= -1.19 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -153:sc= -7.51! (180deg=-9.37!) USER MOD Single : A 83 SER OG : rot -132:sc= -0.274 USER MOD Single : A 86 LYS NZ :NH3+ -142:sc= -1.27 (180deg=-5.18!) USER MOD Single : A 87 THR OG1 : rot -49:sc= 0.614 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 25:sc= 0.42 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.344 -10.720 -10.761 1.00 0.00 N ATOM 2 CA MET A 1 -10.590 -11.764 -11.798 1.00 0.00 C ATOM 3 C MET A 1 -10.289 -13.154 -11.230 1.00 0.00 C ATOM 4 O MET A 1 -11.140 -14.020 -11.200 1.00 0.00 O ATOM 5 CB MET A 1 -9.627 -11.428 -12.936 1.00 0.00 C ATOM 6 CG MET A 1 -10.420 -10.936 -14.149 1.00 0.00 C ATOM 7 SD MET A 1 -10.833 -9.188 -13.932 1.00 0.00 S ATOM 8 CE MET A 1 -12.468 -9.430 -13.196 1.00 0.00 C ATOM 0 H1 MET A 1 -10.436 -9.777 -11.189 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.039 -10.822 -9.994 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.385 -10.833 -10.375 1.00 0.00 H new ATOM 0 HA MET A 1 -11.627 -11.777 -12.134 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.921 -10.662 -12.615 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.042 -12.308 -13.203 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.835 -11.072 -15.059 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.330 -11.524 -14.264 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.127 -8.616 -13.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.883 -10.379 -13.536 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.380 -9.441 -12.110 1.00 0.00 H new ATOM 20 N ALA A 2 -9.084 -13.373 -10.781 1.00 0.00 N ATOM 21 CA ALA A 2 -8.730 -14.706 -10.216 1.00 0.00 C ATOM 22 C ALA A 2 -9.766 -15.130 -9.172 1.00 0.00 C ATOM 23 O ALA A 2 -9.977 -16.302 -8.932 1.00 0.00 O ATOM 24 CB ALA A 2 -7.361 -14.510 -9.563 1.00 0.00 C ATOM 0 H ALA A 2 -8.329 -12.687 -10.781 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.710 -15.485 -10.978 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.030 -15.450 -9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.641 -14.189 -10.316 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.435 -13.751 -8.785 1.00 0.00 H new ATOM 30 N GLU A 3 -10.417 -14.184 -8.551 1.00 0.00 N ATOM 31 CA GLU A 3 -11.441 -14.533 -7.525 1.00 0.00 C ATOM 32 C GLU A 3 -12.665 -13.625 -7.670 1.00 0.00 C ATOM 33 O GLU A 3 -12.545 -12.433 -7.875 1.00 0.00 O ATOM 34 CB GLU A 3 -10.752 -14.295 -6.180 1.00 0.00 C ATOM 35 CG GLU A 3 -10.477 -15.639 -5.502 1.00 0.00 C ATOM 36 CD GLU A 3 -10.900 -15.567 -4.034 1.00 0.00 C ATOM 37 OE1 GLU A 3 -11.673 -14.682 -3.703 1.00 0.00 O ATOM 38 OE2 GLU A 3 -10.444 -16.396 -3.265 1.00 0.00 O ATOM 0 H GLU A 3 -10.284 -13.185 -8.710 1.00 0.00 H new ATOM 0 HA GLU A 3 -11.794 -15.559 -7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -9.818 -13.753 -6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -11.382 -13.676 -5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -11.024 -16.433 -6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -9.418 -15.885 -5.574 1.00 0.00 H new ATOM 45 N ASN A 4 -13.842 -14.177 -7.566 1.00 0.00 N ATOM 46 CA ASN A 4 -15.071 -13.344 -7.699 1.00 0.00 C ATOM 47 C ASN A 4 -15.863 -13.356 -6.388 1.00 0.00 C ATOM 48 O ASN A 4 -15.785 -14.289 -5.614 1.00 0.00 O ATOM 49 CB ASN A 4 -15.878 -14.003 -8.819 1.00 0.00 C ATOM 50 CG ASN A 4 -16.380 -12.930 -9.786 1.00 0.00 C ATOM 51 OD1 ASN A 4 -16.567 -11.790 -9.405 1.00 0.00 O ATOM 52 ND2 ASN A 4 -16.607 -13.245 -11.032 1.00 0.00 N ATOM 0 H ASN A 4 -14.006 -15.169 -7.395 1.00 0.00 H new ATOM 0 HA ASN A 4 -14.841 -12.302 -7.921 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -15.259 -14.726 -9.351 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -16.721 -14.552 -8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -16.941 -12.536 -11.685 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -16.451 -14.200 -11.353 1.00 0.00 H new ATOM 59 N GLY A 5 -16.625 -12.328 -6.135 1.00 0.00 N ATOM 60 CA GLY A 5 -17.421 -12.283 -4.876 1.00 0.00 C ATOM 61 C GLY A 5 -17.333 -10.883 -4.265 1.00 0.00 C ATOM 62 O GLY A 5 -16.652 -10.015 -4.773 1.00 0.00 O ATOM 0 H GLY A 5 -16.731 -11.518 -6.745 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -18.461 -12.537 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -17.046 -13.024 -4.170 1.00 0.00 H new ATOM 66 N ASP A 6 -18.019 -10.658 -3.178 1.00 0.00 N ATOM 67 CA ASP A 6 -17.976 -9.312 -2.536 1.00 0.00 C ATOM 68 C ASP A 6 -17.319 -9.408 -1.156 1.00 0.00 C ATOM 69 O ASP A 6 -17.970 -9.670 -0.164 1.00 0.00 O ATOM 70 CB ASP A 6 -19.439 -8.889 -2.405 1.00 0.00 C ATOM 71 CG ASP A 6 -20.213 -9.956 -1.628 1.00 0.00 C ATOM 72 OD1 ASP A 6 -20.534 -10.974 -2.219 1.00 0.00 O ATOM 73 OD2 ASP A 6 -20.471 -9.738 -0.456 1.00 0.00 O ATOM 0 H ASP A 6 -18.607 -11.346 -2.707 1.00 0.00 H new ATOM 0 HA ASP A 6 -17.395 -8.595 -3.116 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -19.506 -7.930 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -19.879 -8.753 -3.393 1.00 0.00 H new ATOM 78 N ASN A 7 -16.033 -9.199 -1.084 1.00 0.00 N ATOM 79 CA ASN A 7 -15.336 -9.279 0.232 1.00 0.00 C ATOM 80 C ASN A 7 -15.177 -7.881 0.834 1.00 0.00 C ATOM 81 O ASN A 7 -14.313 -7.121 0.445 1.00 0.00 O ATOM 82 CB ASN A 7 -13.969 -9.886 -0.081 1.00 0.00 C ATOM 83 CG ASN A 7 -14.149 -11.129 -0.955 1.00 0.00 C ATOM 84 OD1 ASN A 7 -14.297 -12.224 -0.451 1.00 0.00 O ATOM 85 ND2 ASN A 7 -14.141 -11.004 -2.254 1.00 0.00 N ATOM 0 H ASN A 7 -15.434 -8.976 -1.879 1.00 0.00 H new ATOM 0 HA ASN A 7 -15.891 -9.874 0.957 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -13.344 -9.155 -0.594 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.456 -10.150 0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.259 -11.826 -2.846 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.017 -10.084 -2.677 1.00 0.00 H new ATOM 92 N GLU A 8 -16.005 -7.534 1.781 1.00 0.00 N ATOM 93 CA GLU A 8 -15.899 -6.185 2.406 1.00 0.00 C ATOM 94 C GLU A 8 -14.603 -6.077 3.215 1.00 0.00 C ATOM 95 O GLU A 8 -14.004 -5.024 3.310 1.00 0.00 O ATOM 96 CB GLU A 8 -17.117 -6.077 3.325 1.00 0.00 C ATOM 97 CG GLU A 8 -18.056 -4.987 2.803 1.00 0.00 C ATOM 98 CD GLU A 8 -18.864 -4.410 3.967 1.00 0.00 C ATOM 99 OE1 GLU A 8 -18.308 -3.621 4.715 1.00 0.00 O ATOM 100 OE2 GLU A 8 -20.024 -4.764 4.089 1.00 0.00 O ATOM 0 H GLU A 8 -16.750 -8.126 2.149 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.877 -5.387 1.664 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -17.640 -7.033 3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -16.800 -5.842 4.341 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -17.481 -4.198 2.319 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -18.727 -5.400 2.050 1.00 0.00 H new ATOM 107 N LYS A 9 -14.166 -7.158 3.801 1.00 0.00 N ATOM 108 CA LYS A 9 -12.909 -7.116 4.602 1.00 0.00 C ATOM 109 C LYS A 9 -11.757 -6.577 3.752 1.00 0.00 C ATOM 110 O LYS A 9 -10.892 -5.873 4.234 1.00 0.00 O ATOM 111 CB LYS A 9 -12.645 -8.569 5.001 1.00 0.00 C ATOM 112 CG LYS A 9 -11.732 -8.604 6.228 1.00 0.00 C ATOM 113 CD LYS A 9 -12.465 -8.007 7.429 1.00 0.00 C ATOM 114 CE LYS A 9 -12.853 -9.126 8.399 1.00 0.00 C ATOM 115 NZ LYS A 9 -11.587 -9.868 8.654 1.00 0.00 N ATOM 0 H LYS A 9 -14.625 -8.068 3.760 1.00 0.00 H new ATOM 0 HA LYS A 9 -12.995 -6.463 5.470 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.586 -9.074 5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -12.181 -9.106 4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.435 -9.630 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.819 -8.043 6.031 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.828 -7.280 7.932 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.356 -7.474 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -13.267 -8.722 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.613 -9.777 7.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.566 -10.189 9.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.534 -10.692 8.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.776 -9.242 8.476 1.00 0.00 H new ATOM 129 N MET A 10 -11.739 -6.899 2.487 1.00 0.00 N ATOM 130 CA MET A 10 -10.643 -6.404 1.605 1.00 0.00 C ATOM 131 C MET A 10 -10.618 -4.876 1.603 1.00 0.00 C ATOM 132 O MET A 10 -9.571 -4.262 1.561 1.00 0.00 O ATOM 133 CB MET A 10 -10.978 -6.940 0.213 1.00 0.00 C ATOM 134 CG MET A 10 -9.958 -6.408 -0.796 1.00 0.00 C ATOM 135 SD MET A 10 -8.635 -7.625 -1.016 1.00 0.00 S ATOM 136 CE MET A 10 -9.600 -8.847 -1.937 1.00 0.00 C ATOM 0 H MET A 10 -12.436 -7.484 2.026 1.00 0.00 H new ATOM 0 HA MET A 10 -9.661 -6.736 1.941 1.00 0.00 H new ATOM 0 HB2 MET A 10 -10.966 -8.030 0.218 1.00 0.00 H new ATOM 0 HB3 MET A 10 -11.984 -6.634 -0.074 1.00 0.00 H new ATOM 0 HG2 MET A 10 -10.445 -6.208 -1.750 1.00 0.00 H new ATOM 0 HG3 MET A 10 -9.543 -5.463 -0.446 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.057 -9.137 -2.836 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.765 -9.726 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 10 -10.561 -8.416 -2.217 1.00 0.00 H new ATOM 146 N ALA A 11 -11.762 -4.257 1.650 1.00 0.00 N ATOM 147 CA ALA A 11 -11.804 -2.766 1.653 1.00 0.00 C ATOM 148 C ALA A 11 -11.016 -2.231 2.848 1.00 0.00 C ATOM 149 O ALA A 11 -10.131 -1.411 2.705 1.00 0.00 O ATOM 150 CB ALA A 11 -13.285 -2.410 1.779 1.00 0.00 C ATOM 0 H ALA A 11 -12.672 -4.717 1.687 1.00 0.00 H new ATOM 0 HA ALA A 11 -11.362 -2.333 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -13.399 -1.326 1.788 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -13.832 -2.825 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.681 -2.825 2.706 1.00 0.00 H new ATOM 156 N ALA A 12 -11.323 -2.696 4.028 1.00 0.00 N ATOM 157 CA ALA A 12 -10.581 -2.220 5.230 1.00 0.00 C ATOM 158 C ALA A 12 -9.095 -2.547 5.076 1.00 0.00 C ATOM 159 O ALA A 12 -8.236 -1.823 5.541 1.00 0.00 O ATOM 160 CB ALA A 12 -11.185 -2.995 6.402 1.00 0.00 C ATOM 0 H ALA A 12 -12.054 -3.383 4.212 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.663 -1.143 5.376 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.690 -2.700 7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.250 -2.774 6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.046 -4.064 6.241 1.00 0.00 H new ATOM 166 N LEU A 13 -8.787 -3.635 4.423 1.00 0.00 N ATOM 167 CA LEU A 13 -7.358 -4.014 4.232 1.00 0.00 C ATOM 168 C LEU A 13 -6.617 -2.914 3.465 1.00 0.00 C ATOM 169 O LEU A 13 -5.434 -2.707 3.646 1.00 0.00 O ATOM 170 CB LEU A 13 -7.400 -5.304 3.410 1.00 0.00 C ATOM 171 CG LEU A 13 -6.155 -6.140 3.706 1.00 0.00 C ATOM 172 CD1 LEU A 13 -6.321 -7.536 3.101 1.00 0.00 C ATOM 173 CD2 LEU A 13 -4.929 -5.462 3.091 1.00 0.00 C ATOM 0 H LEU A 13 -9.464 -4.278 4.013 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.835 -4.148 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.298 -5.872 3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.448 -5.069 2.347 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.023 -6.225 4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.433 -8.132 3.312 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.195 -8.020 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.453 -7.452 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.040 -6.057 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.062 -5.378 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.810 -4.467 3.520 1.00 0.00 H new ATOM 185 N GLU A 14 -7.308 -2.205 2.615 1.00 0.00 N ATOM 186 CA GLU A 14 -6.643 -1.114 1.840 1.00 0.00 C ATOM 187 C GLU A 14 -6.250 0.026 2.776 1.00 0.00 C ATOM 188 O GLU A 14 -5.196 0.617 2.650 1.00 0.00 O ATOM 189 CB GLU A 14 -7.690 -0.633 0.833 1.00 0.00 C ATOM 190 CG GLU A 14 -8.372 -1.836 0.183 1.00 0.00 C ATOM 191 CD GLU A 14 -7.341 -2.661 -0.587 1.00 0.00 C ATOM 192 OE1 GLU A 14 -6.542 -3.323 0.055 1.00 0.00 O ATOM 193 OE2 GLU A 14 -7.366 -2.618 -1.806 1.00 0.00 O ATOM 0 H GLU A 14 -8.302 -2.332 2.422 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.735 -1.459 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.431 -0.010 1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.217 -0.015 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.848 -2.452 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.159 -1.499 -0.492 1.00 0.00 H new ATOM 200 N ALA A 15 -7.097 0.341 3.714 1.00 0.00 N ATOM 201 CA ALA A 15 -6.789 1.444 4.663 1.00 0.00 C ATOM 202 C ALA A 15 -5.476 1.163 5.396 1.00 0.00 C ATOM 203 O ALA A 15 -4.648 2.036 5.565 1.00 0.00 O ATOM 204 CB ALA A 15 -7.964 1.446 5.637 1.00 0.00 C ATOM 0 H ALA A 15 -7.994 -0.121 3.865 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.666 2.405 4.164 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.821 2.233 6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.890 1.626 5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.021 0.481 6.140 1.00 0.00 H new ATOM 210 N LYS A 16 -5.274 -0.052 5.827 1.00 0.00 N ATOM 211 CA LYS A 16 -4.009 -0.388 6.541 1.00 0.00 C ATOM 212 C LYS A 16 -2.817 -0.215 5.597 1.00 0.00 C ATOM 213 O LYS A 16 -1.770 0.267 5.983 1.00 0.00 O ATOM 214 CB LYS A 16 -4.161 -1.851 6.955 1.00 0.00 C ATOM 215 CG LYS A 16 -4.232 -1.944 8.481 1.00 0.00 C ATOM 216 CD LYS A 16 -5.562 -1.362 8.965 1.00 0.00 C ATOM 217 CE LYS A 16 -5.502 -1.138 10.478 1.00 0.00 C ATOM 218 NZ LYS A 16 -6.858 -0.646 10.848 1.00 0.00 N ATOM 0 H LYS A 16 -5.929 -0.826 5.716 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.833 0.258 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.063 -2.274 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.319 -2.435 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.141 -2.983 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.400 -1.400 8.928 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.766 -0.420 8.455 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.379 -2.041 8.719 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.260 -2.061 11.004 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.733 -0.411 10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.896 -0.469 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.058 0.237 10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.568 -1.362 10.594 1.00 0.00 H new ATOM 232 N ILE A 17 -2.968 -0.606 4.360 1.00 0.00 N ATOM 233 CA ILE A 17 -1.847 -0.464 3.389 1.00 0.00 C ATOM 234 C ILE A 17 -1.483 1.012 3.217 1.00 0.00 C ATOM 235 O ILE A 17 -0.326 1.383 3.224 1.00 0.00 O ATOM 236 CB ILE A 17 -2.390 -1.032 2.079 1.00 0.00 C ATOM 237 CG1 ILE A 17 -2.445 -2.557 2.171 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.473 -0.624 0.925 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.526 -3.086 1.227 1.00 0.00 C ATOM 0 H ILE A 17 -3.820 -1.018 3.981 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.945 -0.980 3.719 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.392 -0.641 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.477 -2.983 1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.660 -2.863 3.195 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.861 -1.030 -0.009 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.433 0.463 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.471 -1.014 1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.566 -4.173 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.493 -2.670 1.511 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.291 -2.792 0.204 1.00 0.00 H new ATOM 251 N CYS A 18 -2.465 1.856 3.066 1.00 0.00 N ATOM 252 CA CYS A 18 -2.181 3.309 2.896 1.00 0.00 C ATOM 253 C CYS A 18 -1.575 3.882 4.180 1.00 0.00 C ATOM 254 O CYS A 18 -0.681 4.704 4.144 1.00 0.00 O ATOM 255 CB CYS A 18 -3.540 3.949 2.612 1.00 0.00 C ATOM 256 SG CYS A 18 -3.378 5.134 1.254 1.00 0.00 S ATOM 0 H CYS A 18 -3.453 1.603 3.053 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.467 3.499 2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.269 3.181 2.353 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.911 4.452 3.505 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.534 5.676 1.011 1.00 0.00 H new ATOM 262 N HIS A 19 -2.055 3.452 5.315 1.00 0.00 N ATOM 263 CA HIS A 19 -1.508 3.972 6.601 1.00 0.00 C ATOM 264 C HIS A 19 -0.047 3.547 6.767 1.00 0.00 C ATOM 265 O HIS A 19 0.771 4.296 7.262 1.00 0.00 O ATOM 266 CB HIS A 19 -2.379 3.340 7.688 1.00 0.00 C ATOM 267 CG HIS A 19 -2.866 4.409 8.626 1.00 0.00 C ATOM 268 ND1 HIS A 19 -4.085 5.044 8.454 1.00 0.00 N ATOM 269 CD2 HIS A 19 -2.310 4.965 9.752 1.00 0.00 C ATOM 270 CE1 HIS A 19 -4.222 5.937 9.452 1.00 0.00 C ATOM 271 NE2 HIS A 19 -3.168 5.930 10.271 1.00 0.00 N ATOM 0 H HIS A 19 -2.802 2.763 5.408 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.527 5.061 6.646 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.226 2.825 7.236 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.807 2.592 8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -1.352 4.694 10.171 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -5.080 6.581 9.575 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -3.023 6.508 11.099 1.00 0.00 H new ATOM 279 N GLN A 20 0.294 2.355 6.356 1.00 0.00 N ATOM 280 CA GLN A 20 1.709 1.910 6.495 1.00 0.00 C ATOM 281 C GLN A 20 2.607 2.800 5.635 1.00 0.00 C ATOM 282 O GLN A 20 3.599 3.335 6.097 1.00 0.00 O ATOM 283 CB GLN A 20 1.726 0.469 5.983 1.00 0.00 C ATOM 284 CG GLN A 20 1.953 -0.487 7.156 1.00 0.00 C ATOM 285 CD GLN A 20 0.823 -0.326 8.174 1.00 0.00 C ATOM 286 OE1 GLN A 20 0.364 0.771 8.422 1.00 0.00 O ATOM 287 NE2 GLN A 20 0.350 -1.383 8.778 1.00 0.00 N ATOM 0 H GLN A 20 -0.340 1.676 5.934 1.00 0.00 H new ATOM 0 HA GLN A 20 2.073 1.974 7.521 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.783 0.237 5.488 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.515 0.345 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.990 -1.516 6.798 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.913 -0.279 7.627 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.735 -2.304 8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.405 -1.287 9.458 1.00 0.00 H new ATOM 296 N ILE A 21 2.247 2.995 4.394 1.00 0.00 N ATOM 297 CA ILE A 21 3.069 3.878 3.524 1.00 0.00 C ATOM 298 C ILE A 21 3.135 5.256 4.170 1.00 0.00 C ATOM 299 O ILE A 21 4.142 5.935 4.124 1.00 0.00 O ATOM 300 CB ILE A 21 2.329 3.937 2.188 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.253 2.533 1.584 1.00 0.00 C ATOM 302 CG2 ILE A 21 3.087 4.860 1.234 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.656 2.067 1.192 1.00 0.00 C ATOM 0 H ILE A 21 1.426 2.584 3.950 1.00 0.00 H new ATOM 0 HA ILE A 21 4.089 3.519 3.386 1.00 0.00 H new ATOM 0 HB ILE A 21 1.320 4.319 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.816 1.840 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.602 2.537 0.709 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.563 4.906 0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.145 5.860 1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.094 4.474 1.077 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.600 1.067 0.762 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.076 2.755 0.458 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.293 2.047 2.076 1.00 0.00 H new ATOM 315 N GLU A 22 2.065 5.658 4.793 1.00 0.00 N ATOM 316 CA GLU A 22 2.042 6.977 5.476 1.00 0.00 C ATOM 317 C GLU A 22 3.115 7.008 6.568 1.00 0.00 C ATOM 318 O GLU A 22 3.715 8.025 6.835 1.00 0.00 O ATOM 319 CB GLU A 22 0.645 7.082 6.089 1.00 0.00 C ATOM 320 CG GLU A 22 0.445 8.483 6.669 1.00 0.00 C ATOM 321 CD GLU A 22 -1.047 8.817 6.693 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.589 9.098 5.636 1.00 0.00 O ATOM 323 OE2 GLU A 22 -1.624 8.788 7.768 1.00 0.00 O ATOM 0 H GLU A 22 1.198 5.124 4.858 1.00 0.00 H new ATOM 0 HA GLU A 22 2.247 7.805 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.112 6.879 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.522 6.332 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.856 8.533 7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.983 9.217 6.069 1.00 0.00 H new ATOM 330 N TYR A 23 3.351 5.901 7.215 1.00 0.00 N ATOM 331 CA TYR A 23 4.377 5.885 8.294 1.00 0.00 C ATOM 332 C TYR A 23 5.761 6.257 7.738 1.00 0.00 C ATOM 333 O TYR A 23 6.474 7.039 8.334 1.00 0.00 O ATOM 334 CB TYR A 23 4.370 4.451 8.828 1.00 0.00 C ATOM 335 CG TYR A 23 5.703 4.138 9.464 1.00 0.00 C ATOM 336 CD1 TYR A 23 6.076 4.759 10.662 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.566 3.226 8.851 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.314 4.464 11.246 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.803 2.931 9.433 1.00 0.00 C ATOM 340 CZ TYR A 23 8.179 3.550 10.631 1.00 0.00 C ATOM 341 OH TYR A 23 9.399 3.259 11.206 1.00 0.00 O ATOM 0 H TYR A 23 2.881 5.012 7.045 1.00 0.00 H new ATOM 0 HA TYR A 23 4.158 6.611 9.077 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.570 4.329 9.558 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.170 3.751 8.016 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.410 5.465 11.135 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.277 2.748 7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.602 4.941 12.171 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.468 2.225 8.958 1.00 0.00 H new ATOM 0 HH TYR A 23 9.874 2.605 10.652 1.00 0.00 H new ATOM 351 N TYR A 24 6.156 5.714 6.611 1.00 0.00 N ATOM 352 CA TYR A 24 7.509 6.079 6.067 1.00 0.00 C ATOM 353 C TYR A 24 7.479 7.451 5.382 1.00 0.00 C ATOM 354 O TYR A 24 8.405 8.228 5.487 1.00 0.00 O ATOM 355 CB TYR A 24 7.894 5.017 5.026 1.00 0.00 C ATOM 356 CG TYR A 24 7.200 3.706 5.285 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.779 2.753 6.130 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.985 3.438 4.656 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.135 1.528 6.345 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.343 2.218 4.867 1.00 0.00 C ATOM 361 CZ TYR A 24 5.916 1.260 5.713 1.00 0.00 C ATOM 362 OH TYR A 24 5.279 0.054 5.920 1.00 0.00 O ATOM 0 H TYR A 24 5.618 5.050 6.054 1.00 0.00 H new ATOM 0 HA TYR A 24 8.227 6.122 6.886 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.636 5.374 4.029 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.973 4.867 5.042 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.721 2.962 6.616 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.540 4.176 4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.579 0.791 6.998 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.403 2.012 4.377 1.00 0.00 H new ATOM 0 HH TYR A 24 4.937 0.018 6.838 1.00 0.00 H new ATOM 372 N PHE A 25 6.438 7.740 4.650 1.00 0.00 N ATOM 373 CA PHE A 25 6.378 9.052 3.928 1.00 0.00 C ATOM 374 C PHE A 25 5.354 10.005 4.551 1.00 0.00 C ATOM 375 O PHE A 25 5.432 11.204 4.372 1.00 0.00 O ATOM 376 CB PHE A 25 5.952 8.700 2.503 1.00 0.00 C ATOM 377 CG PHE A 25 6.884 7.661 1.930 1.00 0.00 C ATOM 378 CD1 PHE A 25 6.643 6.302 2.161 1.00 0.00 C ATOM 379 CD2 PHE A 25 7.987 8.057 1.163 1.00 0.00 C ATOM 380 CE1 PHE A 25 7.505 5.338 1.625 1.00 0.00 C ATOM 381 CE2 PHE A 25 8.849 7.093 0.628 1.00 0.00 C ATOM 382 CZ PHE A 25 8.607 5.732 0.859 1.00 0.00 C ATOM 0 H PHE A 25 5.630 7.132 4.518 1.00 0.00 H new ATOM 0 HA PHE A 25 7.339 9.564 3.974 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.929 8.323 2.503 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.963 9.594 1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.792 5.997 2.753 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.172 9.106 0.985 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.319 4.289 1.803 1.00 0.00 H new ATOM 0 HE2 PHE A 25 9.700 7.398 0.037 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.271 4.988 0.446 1.00 0.00 H new ATOM 392 N GLY A 26 4.389 9.487 5.259 1.00 0.00 N ATOM 393 CA GLY A 26 3.348 10.365 5.876 1.00 0.00 C ATOM 394 C GLY A 26 3.934 11.749 6.156 1.00 0.00 C ATOM 395 O GLY A 26 3.371 12.760 5.788 1.00 0.00 O ATOM 0 H GLY A 26 4.274 8.490 5.439 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.491 10.452 5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.987 9.919 6.803 1.00 0.00 H new ATOM 399 N ASP A 27 5.064 11.794 6.804 1.00 0.00 N ATOM 400 CA ASP A 27 5.706 13.103 7.116 1.00 0.00 C ATOM 401 C ASP A 27 6.739 12.912 8.225 1.00 0.00 C ATOM 402 O ASP A 27 7.698 13.647 8.329 1.00 0.00 O ATOM 403 CB ASP A 27 4.572 14.012 7.598 1.00 0.00 C ATOM 404 CG ASP A 27 4.286 15.079 6.539 1.00 0.00 C ATOM 405 OD1 ASP A 27 4.569 14.827 5.380 1.00 0.00 O ATOM 406 OD2 ASP A 27 3.789 16.131 6.906 1.00 0.00 O ATOM 0 H ASP A 27 5.575 10.975 7.134 1.00 0.00 H new ATOM 0 HA ASP A 27 6.219 13.528 6.253 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.675 13.423 7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.847 14.485 8.541 1.00 0.00 H new ATOM 411 N PHE A 28 6.542 11.929 9.058 1.00 0.00 N ATOM 412 CA PHE A 28 7.502 11.683 10.168 1.00 0.00 C ATOM 413 C PHE A 28 8.731 10.915 9.675 1.00 0.00 C ATOM 414 O PHE A 28 9.851 11.218 10.039 1.00 0.00 O ATOM 415 CB PHE A 28 6.723 10.850 11.185 1.00 0.00 C ATOM 416 CG PHE A 28 7.672 10.310 12.228 1.00 0.00 C ATOM 417 CD1 PHE A 28 8.758 11.084 12.654 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.465 9.036 12.771 1.00 0.00 C ATOM 419 CE1 PHE A 28 9.638 10.583 13.620 1.00 0.00 C ATOM 420 CE2 PHE A 28 8.346 8.535 13.737 1.00 0.00 C ATOM 421 CZ PHE A 28 9.432 9.309 14.163 1.00 0.00 C ATOM 0 H PHE A 28 5.754 11.283 9.017 1.00 0.00 H new ATOM 0 HA PHE A 28 7.874 12.615 10.593 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.955 11.461 11.659 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.212 10.028 10.683 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.917 12.068 12.237 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.626 8.440 12.445 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.477 11.180 13.947 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.188 7.551 14.154 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.110 8.924 14.910 1.00 0.00 H new ATOM 431 N ASN A 29 8.534 9.910 8.868 1.00 0.00 N ATOM 432 CA ASN A 29 9.693 9.107 8.375 1.00 0.00 C ATOM 433 C ASN A 29 10.448 9.830 7.254 1.00 0.00 C ATOM 434 O ASN A 29 11.641 9.681 7.111 1.00 0.00 O ATOM 435 CB ASN A 29 9.076 7.813 7.859 1.00 0.00 C ATOM 436 CG ASN A 29 9.102 6.758 8.966 1.00 0.00 C ATOM 437 OD1 ASN A 29 9.576 5.658 8.761 1.00 0.00 O ATOM 438 ND2 ASN A 29 8.609 7.047 10.139 1.00 0.00 N ATOM 0 H ASN A 29 7.621 9.608 8.527 1.00 0.00 H new ATOM 0 HA ASN A 29 10.426 8.937 9.163 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.050 7.991 7.535 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.628 7.456 6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 29 8.622 6.350 10.883 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.211 7.970 10.312 1.00 0.00 H new ATOM 445 N LEU A 30 9.762 10.577 6.439 1.00 0.00 N ATOM 446 CA LEU A 30 10.447 11.266 5.303 1.00 0.00 C ATOM 447 C LEU A 30 11.580 12.181 5.792 1.00 0.00 C ATOM 448 O LEU A 30 12.669 12.151 5.254 1.00 0.00 O ATOM 449 CB LEU A 30 9.345 12.094 4.638 1.00 0.00 C ATOM 450 CG LEU A 30 9.542 12.087 3.123 1.00 0.00 C ATOM 451 CD1 LEU A 30 10.937 12.619 2.788 1.00 0.00 C ATOM 452 CD2 LEU A 30 9.398 10.659 2.594 1.00 0.00 C ATOM 0 H LEU A 30 8.758 10.743 6.506 1.00 0.00 H new ATOM 0 HA LEU A 30 10.913 10.552 4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.367 11.685 4.889 1.00 0.00 H new ATOM 0 HB3 LEU A 30 9.368 13.117 5.013 1.00 0.00 H new ATOM 0 HG LEU A 30 8.789 12.722 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.078 12.614 1.707 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.038 13.638 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.690 11.985 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 30 9.539 10.655 1.513 1.00 0.00 H new ATOM 0 HD22 LEU A 30 10.149 10.021 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.403 10.282 2.832 1.00 0.00 H new ATOM 464 N PRO A 31 11.286 12.980 6.779 1.00 0.00 N ATOM 465 CA PRO A 31 12.294 13.928 7.323 1.00 0.00 C ATOM 466 C PRO A 31 13.483 13.195 7.959 1.00 0.00 C ATOM 467 O PRO A 31 14.504 13.793 8.236 1.00 0.00 O ATOM 468 CB PRO A 31 11.527 14.721 8.382 1.00 0.00 C ATOM 469 CG PRO A 31 10.079 14.429 8.139 1.00 0.00 C ATOM 470 CD PRO A 31 10.007 13.083 7.476 1.00 0.00 C ATOM 0 HA PRO A 31 12.721 14.557 6.542 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.823 14.420 9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 31 11.731 15.788 8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.523 14.427 9.077 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.632 15.195 7.505 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.881 12.282 8.205 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.167 13.020 6.785 1.00 0.00 H new ATOM 478 N ARG A 32 13.371 11.918 8.206 1.00 0.00 N ATOM 479 CA ARG A 32 14.514 11.192 8.839 1.00 0.00 C ATOM 480 C ARG A 32 14.760 9.840 8.159 1.00 0.00 C ATOM 481 O ARG A 32 15.702 9.142 8.475 1.00 0.00 O ATOM 482 CB ARG A 32 14.090 10.986 10.293 1.00 0.00 C ATOM 483 CG ARG A 32 15.210 10.275 11.055 1.00 0.00 C ATOM 484 CD ARG A 32 15.147 10.663 12.533 1.00 0.00 C ATOM 485 NE ARG A 32 15.894 9.589 13.243 1.00 0.00 N ATOM 486 CZ ARG A 32 15.397 8.383 13.312 1.00 0.00 C ATOM 487 NH1 ARG A 32 14.246 8.117 12.758 1.00 0.00 N ATOM 488 NH2 ARG A 32 16.055 7.443 13.934 1.00 0.00 N ATOM 0 H ARG A 32 12.549 11.350 8.001 1.00 0.00 H new ATOM 0 HA ARG A 32 15.445 11.752 8.750 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.872 11.947 10.759 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.175 10.396 10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 32 15.109 9.195 10.947 1.00 0.00 H new ATOM 0 HG3 ARG A 32 16.179 10.548 10.637 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.600 11.639 12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.116 10.724 12.882 1.00 0.00 H new ATOM 0 HE ARG A 32 16.794 9.795 13.676 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.733 8.851 12.270 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.859 7.175 12.813 1.00 0.00 H new ATOM 0 HH21 ARG A 32 16.956 7.651 14.365 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.668 6.501 13.989 1.00 0.00 H new ATOM 502 N ASP A 33 13.906 9.447 7.257 1.00 0.00 N ATOM 503 CA ASP A 33 14.078 8.122 6.594 1.00 0.00 C ATOM 504 C ASP A 33 15.409 8.043 5.842 1.00 0.00 C ATOM 505 O ASP A 33 15.539 8.511 4.729 1.00 0.00 O ATOM 506 CB ASP A 33 12.913 8.028 5.609 1.00 0.00 C ATOM 507 CG ASP A 33 11.789 7.194 6.225 1.00 0.00 C ATOM 508 OD1 ASP A 33 11.759 7.081 7.439 1.00 0.00 O ATOM 509 OD2 ASP A 33 10.977 6.680 5.472 1.00 0.00 O ATOM 0 H ASP A 33 13.096 9.985 6.949 1.00 0.00 H new ATOM 0 HA ASP A 33 14.086 7.308 7.319 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.548 9.026 5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.248 7.574 4.676 1.00 0.00 H new ATOM 514 N LYS A 34 16.394 7.436 6.447 1.00 0.00 N ATOM 515 CA LYS A 34 17.720 7.301 5.776 1.00 0.00 C ATOM 516 C LYS A 34 17.631 6.245 4.676 1.00 0.00 C ATOM 517 O LYS A 34 18.102 6.435 3.573 1.00 0.00 O ATOM 518 CB LYS A 34 18.694 6.848 6.868 1.00 0.00 C ATOM 519 CG LYS A 34 18.352 7.538 8.189 1.00 0.00 C ATOM 520 CD LYS A 34 18.181 9.040 7.953 1.00 0.00 C ATOM 521 CE LYS A 34 19.494 9.629 7.434 1.00 0.00 C ATOM 522 NZ LYS A 34 19.291 11.104 7.462 1.00 0.00 N ATOM 0 H LYS A 34 16.338 7.027 7.380 1.00 0.00 H new ATOM 0 HA LYS A 34 18.044 8.234 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.641 5.766 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.717 7.087 6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.436 7.118 8.604 1.00 0.00 H new ATOM 0 HG3 LYS A 34 19.142 7.362 8.919 1.00 0.00 H new ATOM 0 HD2 LYS A 34 17.382 9.217 7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.890 9.534 8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 34 20.335 9.334 8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.712 9.279 6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 20.150 11.579 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.489 11.356 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 19.092 11.409 8.436 1.00 0.00 H new ATOM 536 N PHE A 35 17.024 5.132 4.976 1.00 0.00 N ATOM 537 CA PHE A 35 16.893 4.053 3.954 1.00 0.00 C ATOM 538 C PHE A 35 15.989 4.525 2.815 1.00 0.00 C ATOM 539 O PHE A 35 16.274 4.317 1.653 1.00 0.00 O ATOM 540 CB PHE A 35 16.256 2.875 4.695 1.00 0.00 C ATOM 541 CG PHE A 35 14.892 3.276 5.208 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.760 3.102 4.402 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.761 3.820 6.491 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.497 3.472 4.881 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.498 4.190 6.969 1.00 0.00 C ATOM 546 CZ PHE A 35 12.367 4.016 6.164 1.00 0.00 C ATOM 0 H PHE A 35 16.612 4.921 5.885 1.00 0.00 H new ATOM 0 HA PHE A 35 17.851 3.780 3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 35 16.167 2.018 4.028 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.892 2.568 5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.861 2.683 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.634 3.954 7.112 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.623 3.338 4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.397 4.610 7.959 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.393 4.302 6.533 1.00 0.00 H new ATOM 556 N LEU A 36 14.906 5.175 3.141 1.00 0.00 N ATOM 557 CA LEU A 36 13.988 5.681 2.082 1.00 0.00 C ATOM 558 C LEU A 36 14.719 6.723 1.235 1.00 0.00 C ATOM 559 O LEU A 36 14.531 6.818 0.038 1.00 0.00 O ATOM 560 CB LEU A 36 12.828 6.322 2.839 1.00 0.00 C ATOM 561 CG LEU A 36 11.517 6.015 2.120 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.668 6.329 0.629 1.00 0.00 C ATOM 563 CD2 LEU A 36 11.172 4.534 2.297 1.00 0.00 C ATOM 0 H LEU A 36 14.617 5.378 4.098 1.00 0.00 H new ATOM 0 HA LEU A 36 13.644 4.896 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.792 5.942 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 36 12.975 7.400 2.905 1.00 0.00 H new ATOM 0 HG LEU A 36 10.719 6.626 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.732 6.110 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.914 7.383 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.466 5.717 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.236 4.315 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.969 3.922 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.065 4.310 3.358 1.00 0.00 H new ATOM 575 N LYS A 37 15.569 7.490 1.857 1.00 0.00 N ATOM 576 CA LYS A 37 16.345 8.521 1.109 1.00 0.00 C ATOM 577 C LYS A 37 17.229 7.837 0.069 1.00 0.00 C ATOM 578 O LYS A 37 17.491 8.364 -0.995 1.00 0.00 O ATOM 579 CB LYS A 37 17.209 9.200 2.168 1.00 0.00 C ATOM 580 CG LYS A 37 17.425 10.662 1.789 1.00 0.00 C ATOM 581 CD LYS A 37 16.096 11.410 1.883 1.00 0.00 C ATOM 582 CE LYS A 37 15.784 12.071 0.538 1.00 0.00 C ATOM 583 NZ LYS A 37 16.772 13.179 0.416 1.00 0.00 N ATOM 0 H LYS A 37 15.762 7.448 2.858 1.00 0.00 H new ATOM 0 HA LYS A 37 15.706 9.231 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.727 9.134 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.168 8.690 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.159 11.117 2.454 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.824 10.732 0.777 1.00 0.00 H new ATOM 0 HD2 LYS A 37 15.297 10.720 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 37 16.146 12.165 2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.883 11.361 -0.283 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.762 12.449 0.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.447 13.857 -0.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.865 13.663 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.695 12.792 0.134 1.00 0.00 H new ATOM 597 N GLU A 38 17.683 6.658 0.376 1.00 0.00 N ATOM 598 CA GLU A 38 18.546 5.911 -0.582 1.00 0.00 C ATOM 599 C GLU A 38 17.721 5.480 -1.799 1.00 0.00 C ATOM 600 O GLU A 38 18.126 5.656 -2.930 1.00 0.00 O ATOM 601 CB GLU A 38 19.037 4.688 0.195 1.00 0.00 C ATOM 602 CG GLU A 38 20.396 4.248 -0.351 1.00 0.00 C ATOM 603 CD GLU A 38 21.207 3.593 0.769 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.748 2.596 1.301 1.00 0.00 O ATOM 605 OE2 GLU A 38 22.274 4.099 1.075 1.00 0.00 O ATOM 0 H GLU A 38 17.494 6.175 1.254 1.00 0.00 H new ATOM 0 HA GLU A 38 19.375 6.514 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 38 19.119 4.927 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 38 18.317 3.875 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.260 3.546 -1.174 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.935 5.107 -0.750 1.00 0.00 H new ATOM 612 N GLN A 39 16.563 4.922 -1.571 1.00 0.00 N ATOM 613 CA GLN A 39 15.707 4.485 -2.712 1.00 0.00 C ATOM 614 C GLN A 39 15.128 5.709 -3.429 1.00 0.00 C ATOM 615 O GLN A 39 15.137 5.793 -4.641 1.00 0.00 O ATOM 616 CB GLN A 39 14.590 3.651 -2.081 1.00 0.00 C ATOM 617 CG GLN A 39 15.179 2.707 -1.028 1.00 0.00 C ATOM 618 CD GLN A 39 16.419 2.010 -1.593 1.00 0.00 C ATOM 619 OE1 GLN A 39 17.330 2.655 -2.074 1.00 0.00 O ATOM 620 NE2 GLN A 39 16.496 0.707 -1.551 1.00 0.00 N ATOM 0 H GLN A 39 16.172 4.750 -0.645 1.00 0.00 H new ATOM 0 HA GLN A 39 16.265 3.913 -3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.850 4.306 -1.622 1.00 0.00 H new ATOM 0 HB3 GLN A 39 14.074 3.076 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.442 3.267 -0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 39 14.436 1.966 -0.734 1.00 0.00 H new ATOM 0 HE21 GLN A 39 15.733 0.164 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN A 39 17.319 0.233 -1.921 1.00 0.00 H new ATOM 629 N ILE A 40 14.628 6.659 -2.687 1.00 0.00 N ATOM 630 CA ILE A 40 14.057 7.877 -3.330 1.00 0.00 C ATOM 631 C ILE A 40 15.129 8.548 -4.194 1.00 0.00 C ATOM 632 O ILE A 40 14.861 9.033 -5.273 1.00 0.00 O ATOM 633 CB ILE A 40 13.628 8.784 -2.176 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.619 9.814 -2.688 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.848 9.509 -1.604 1.00 0.00 C ATOM 636 CD1 ILE A 40 12.036 10.589 -1.506 1.00 0.00 C ATOM 0 H ILE A 40 14.590 6.645 -1.668 1.00 0.00 H new ATOM 0 HA ILE A 40 13.214 7.652 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 40 13.170 8.178 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.104 10.500 -3.382 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.821 9.315 -3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.536 10.154 -0.782 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.568 8.777 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.311 10.114 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.317 11.323 -1.871 1.00 0.00 H new ATOM 0 HD12 ILE A 40 11.536 9.897 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.839 11.101 -0.975 1.00 0.00 H new ATOM 648 N LYS A 41 16.348 8.567 -3.734 1.00 0.00 N ATOM 649 CA LYS A 41 17.432 9.191 -4.542 1.00 0.00 C ATOM 650 C LYS A 41 17.848 8.232 -5.660 1.00 0.00 C ATOM 651 O LYS A 41 18.344 8.639 -6.692 1.00 0.00 O ATOM 652 CB LYS A 41 18.585 9.410 -3.562 1.00 0.00 C ATOM 653 CG LYS A 41 19.483 10.538 -4.074 1.00 0.00 C ATOM 654 CD LYS A 41 19.606 11.622 -3.000 1.00 0.00 C ATOM 655 CE LYS A 41 19.905 10.970 -1.647 1.00 0.00 C ATOM 656 NZ LYS A 41 20.758 11.955 -0.927 1.00 0.00 N ATOM 0 H LYS A 41 16.640 8.179 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 41 17.124 10.125 -5.011 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.195 9.661 -2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 41 19.163 8.492 -3.453 1.00 0.00 H new ATOM 0 HG2 LYS A 41 20.469 10.147 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.066 10.962 -4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.401 12.320 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.682 12.198 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 41 18.987 10.765 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.421 10.018 -1.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.005 11.580 0.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.627 12.125 -1.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 20.238 12.849 -0.816 1.00 0.00 H new ATOM 670 N LEU A 42 17.657 6.956 -5.446 1.00 0.00 N ATOM 671 CA LEU A 42 18.039 5.939 -6.470 1.00 0.00 C ATOM 672 C LEU A 42 17.935 6.510 -7.888 1.00 0.00 C ATOM 673 O LEU A 42 18.932 6.756 -8.535 1.00 0.00 O ATOM 674 CB LEU A 42 17.042 4.796 -6.277 1.00 0.00 C ATOM 675 CG LEU A 42 17.647 3.494 -6.802 1.00 0.00 C ATOM 676 CD1 LEU A 42 18.542 2.877 -5.726 1.00 0.00 C ATOM 677 CD2 LEU A 42 16.524 2.515 -7.150 1.00 0.00 C ATOM 0 H LEU A 42 17.248 6.571 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 42 19.073 5.615 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.792 4.693 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 42 16.114 5.016 -6.805 1.00 0.00 H new ATOM 0 HG LEU A 42 18.239 3.702 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.974 1.949 -6.100 1.00 0.00 H new ATOM 0 HD12 LEU A 42 19.342 3.574 -5.475 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.949 2.669 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.954 1.586 -7.525 1.00 0.00 H new ATOM 0 HD22 LEU A 42 15.933 2.307 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.884 2.953 -7.916 1.00 0.00 H new ATOM 689 N ASP A 43 16.743 6.713 -8.384 1.00 0.00 N ATOM 690 CA ASP A 43 16.614 7.254 -9.769 1.00 0.00 C ATOM 691 C ASP A 43 15.242 7.902 -9.998 1.00 0.00 C ATOM 692 O ASP A 43 14.247 7.229 -10.182 1.00 0.00 O ATOM 693 CB ASP A 43 16.781 6.039 -10.682 1.00 0.00 C ATOM 694 CG ASP A 43 18.252 5.621 -10.716 1.00 0.00 C ATOM 695 OD1 ASP A 43 19.035 6.329 -11.328 1.00 0.00 O ATOM 696 OD2 ASP A 43 18.570 4.599 -10.130 1.00 0.00 O ATOM 0 H ASP A 43 15.865 6.531 -7.898 1.00 0.00 H new ATOM 0 HA ASP A 43 17.353 8.032 -9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 43 16.166 5.214 -10.322 1.00 0.00 H new ATOM 0 HB3 ASP A 43 16.437 6.278 -11.688 1.00 0.00 H new ATOM 701 N GLU A 44 15.197 9.207 -10.008 1.00 0.00 N ATOM 702 CA GLU A 44 13.912 9.930 -10.252 1.00 0.00 C ATOM 703 C GLU A 44 13.021 9.895 -9.013 1.00 0.00 C ATOM 704 O GLU A 44 11.959 10.484 -8.989 1.00 0.00 O ATOM 705 CB GLU A 44 13.242 9.190 -11.411 1.00 0.00 C ATOM 706 CG GLU A 44 12.811 10.197 -12.479 1.00 0.00 C ATOM 707 CD GLU A 44 11.318 10.031 -12.765 1.00 0.00 C ATOM 708 OE1 GLU A 44 10.925 8.940 -13.147 1.00 0.00 O ATOM 709 OE2 GLU A 44 10.591 10.997 -12.599 1.00 0.00 O ATOM 0 H GLU A 44 16.005 9.811 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 44 14.084 10.981 -10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.932 8.463 -11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.377 8.634 -11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.016 11.212 -12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.386 10.043 -13.392 1.00 0.00 H new ATOM 716 N GLY A 45 13.429 9.206 -7.986 1.00 0.00 N ATOM 717 CA GLY A 45 12.580 9.142 -6.768 1.00 0.00 C ATOM 718 C GLY A 45 11.422 8.187 -7.024 1.00 0.00 C ATOM 719 O GLY A 45 10.270 8.535 -6.867 1.00 0.00 O ATOM 0 H GLY A 45 14.307 8.688 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.168 8.801 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.203 10.134 -6.519 1.00 0.00 H new ATOM 723 N TRP A 46 11.716 6.978 -7.408 1.00 0.00 N ATOM 724 CA TRP A 46 10.628 5.993 -7.663 1.00 0.00 C ATOM 725 C TRP A 46 10.954 4.664 -6.975 1.00 0.00 C ATOM 726 O TRP A 46 11.781 3.903 -7.437 1.00 0.00 O ATOM 727 CB TRP A 46 10.597 5.809 -9.179 1.00 0.00 C ATOM 728 CG TRP A 46 9.705 6.834 -9.807 1.00 0.00 C ATOM 729 CD1 TRP A 46 10.035 7.582 -10.884 1.00 0.00 C ATOM 730 CD2 TRP A 46 8.349 7.233 -9.431 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.975 8.412 -11.196 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.913 8.235 -10.332 1.00 0.00 C ATOM 733 CE3 TRP A 46 7.463 6.832 -8.411 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.649 8.814 -10.228 1.00 0.00 C ATOM 735 CZ3 TRP A 46 6.189 7.415 -8.304 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.783 8.403 -9.212 1.00 0.00 C ATOM 0 H TRP A 46 12.663 6.628 -7.557 1.00 0.00 H new ATOM 0 HA TRP A 46 9.668 6.333 -7.276 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.605 5.897 -9.584 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.241 4.808 -9.424 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.975 7.538 -11.414 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.977 9.075 -11.971 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.765 6.071 -7.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 6.341 9.576 -10.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 5.519 7.100 -7.518 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.802 8.846 -9.126 1.00 0.00 H new ATOM 747 N VAL A 47 10.307 4.377 -5.882 1.00 0.00 N ATOM 748 CA VAL A 47 10.578 3.093 -5.173 1.00 0.00 C ATOM 749 C VAL A 47 9.454 2.095 -5.468 1.00 0.00 C ATOM 750 O VAL A 47 8.294 2.451 -5.458 1.00 0.00 O ATOM 751 CB VAL A 47 10.610 3.452 -3.688 1.00 0.00 C ATOM 752 CG1 VAL A 47 9.358 4.248 -3.332 1.00 0.00 C ATOM 753 CG2 VAL A 47 10.653 2.169 -2.854 1.00 0.00 C ATOM 0 H VAL A 47 9.603 4.974 -5.448 1.00 0.00 H new ATOM 0 HA VAL A 47 11.512 2.629 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 47 11.495 4.052 -3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.379 4.505 -2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.326 5.161 -3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.473 3.647 -3.542 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.676 2.424 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.768 1.569 -3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.546 1.599 -3.109 1.00 0.00 H new ATOM 763 N PRO A 48 9.837 0.875 -5.728 1.00 0.00 N ATOM 764 CA PRO A 48 8.859 -0.181 -6.035 1.00 0.00 C ATOM 765 C PRO A 48 8.346 -0.809 -4.740 1.00 0.00 C ATOM 766 O PRO A 48 9.004 -0.785 -3.719 1.00 0.00 O ATOM 767 CB PRO A 48 9.659 -1.196 -6.852 1.00 0.00 C ATOM 768 CG PRO A 48 11.107 -0.826 -6.686 1.00 0.00 C ATOM 769 CD PRO A 48 11.193 0.357 -5.757 1.00 0.00 C ATOM 0 HA PRO A 48 7.984 0.186 -6.571 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.474 -2.211 -6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.368 -1.166 -7.902 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.669 -1.667 -6.281 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.549 -0.582 -7.652 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.529 0.061 -4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.898 1.103 -6.124 1.00 0.00 H new ATOM 777 N LEU A 49 7.169 -1.354 -4.776 1.00 0.00 N ATOM 778 CA LEU A 49 6.591 -1.970 -3.546 1.00 0.00 C ATOM 779 C LEU A 49 7.413 -3.183 -3.099 1.00 0.00 C ATOM 780 O LEU A 49 7.110 -3.812 -2.106 1.00 0.00 O ATOM 781 CB LEU A 49 5.183 -2.407 -3.951 1.00 0.00 C ATOM 782 CG LEU A 49 4.360 -1.178 -4.339 1.00 0.00 C ATOM 783 CD1 LEU A 49 3.093 -1.625 -5.070 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.975 -0.405 -3.077 1.00 0.00 C ATOM 0 H LEU A 49 6.576 -1.402 -5.604 1.00 0.00 H new ATOM 0 HA LEU A 49 6.588 -1.272 -2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.233 -3.103 -4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.703 -2.934 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 49 4.950 -0.536 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.505 -0.750 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.367 -2.178 -5.969 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.503 -2.266 -4.416 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.388 0.471 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.384 -1.047 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.878 -0.088 -2.555 1.00 0.00 H new ATOM 796 N GLU A 50 8.459 -3.509 -3.808 1.00 0.00 N ATOM 797 CA GLU A 50 9.290 -4.675 -3.392 1.00 0.00 C ATOM 798 C GLU A 50 9.906 -4.388 -2.026 1.00 0.00 C ATOM 799 O GLU A 50 9.876 -5.207 -1.128 1.00 0.00 O ATOM 800 CB GLU A 50 10.373 -4.816 -4.461 1.00 0.00 C ATOM 801 CG GLU A 50 11.295 -3.599 -4.437 1.00 0.00 C ATOM 802 CD GLU A 50 12.310 -3.707 -5.577 1.00 0.00 C ATOM 803 OE1 GLU A 50 11.886 -3.734 -6.720 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.493 -3.762 -5.286 1.00 0.00 O ATOM 0 H GLU A 50 8.772 -3.024 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 50 8.709 -5.593 -3.305 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.951 -5.723 -4.287 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.914 -4.915 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.711 -2.685 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.812 -3.540 -3.479 1.00 0.00 H new ATOM 811 N ILE A 51 10.449 -3.220 -1.866 1.00 0.00 N ATOM 812 CA ILE A 51 11.060 -2.842 -0.561 1.00 0.00 C ATOM 813 C ILE A 51 9.967 -2.690 0.496 1.00 0.00 C ATOM 814 O ILE A 51 10.160 -2.995 1.657 1.00 0.00 O ATOM 815 CB ILE A 51 11.730 -1.495 -0.818 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.873 -1.675 -1.816 1.00 0.00 C ATOM 817 CG2 ILE A 51 12.283 -0.939 0.494 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.364 -0.305 -2.279 1.00 0.00 C ATOM 0 H ILE A 51 10.498 -2.501 -2.588 1.00 0.00 H new ATOM 0 HA ILE A 51 11.765 -3.590 -0.199 1.00 0.00 H new ATOM 0 HB ILE A 51 10.997 -0.799 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.690 -2.229 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.535 -2.260 -2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.761 0.023 0.309 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.468 -0.808 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 51 13.015 -1.635 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 51 14.179 -0.432 -2.991 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.545 0.232 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.718 0.264 -1.420 1.00 0.00 H new ATOM 830 N MET A 52 8.813 -2.234 0.094 1.00 0.00 N ATOM 831 CA MET A 52 7.699 -2.076 1.071 1.00 0.00 C ATOM 832 C MET A 52 7.064 -3.439 1.362 1.00 0.00 C ATOM 833 O MET A 52 6.793 -3.779 2.495 1.00 0.00 O ATOM 834 CB MET A 52 6.696 -1.147 0.387 1.00 0.00 C ATOM 835 CG MET A 52 6.664 0.196 1.119 1.00 0.00 C ATOM 836 SD MET A 52 8.326 0.914 1.136 1.00 0.00 S ATOM 837 CE MET A 52 8.078 2.034 2.536 1.00 0.00 C ATOM 0 H MET A 52 8.593 -1.965 -0.865 1.00 0.00 H new ATOM 0 HA MET A 52 8.037 -1.670 2.025 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.975 -0.998 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.704 -1.599 0.391 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.968 0.875 0.626 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.305 0.058 2.139 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.810 2.841 2.491 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.073 2.453 2.493 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.202 1.484 3.469 1.00 0.00 H new ATOM 847 N ILE A 53 6.821 -4.220 0.342 1.00 0.00 N ATOM 848 CA ILE A 53 6.197 -5.558 0.559 1.00 0.00 C ATOM 849 C ILE A 53 7.229 -6.540 1.115 1.00 0.00 C ATOM 850 O ILE A 53 6.934 -7.695 1.355 1.00 0.00 O ATOM 851 CB ILE A 53 5.710 -6.010 -0.818 1.00 0.00 C ATOM 852 CG1 ILE A 53 6.913 -6.335 -1.706 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.882 -4.898 -1.462 1.00 0.00 C ATOM 854 CD1 ILE A 53 6.880 -7.816 -2.088 1.00 0.00 C ATOM 0 H ILE A 53 7.027 -3.989 -0.630 1.00 0.00 H new ATOM 0 HA ILE A 53 5.380 -5.515 1.279 1.00 0.00 H new ATOM 0 HB ILE A 53 5.091 -6.901 -0.707 1.00 0.00 H new ATOM 0 HG12 ILE A 53 6.894 -5.717 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.840 -6.105 -1.180 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.536 -5.223 -2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.022 -4.672 -0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.496 -4.004 -1.572 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.737 -8.048 -2.721 1.00 0.00 H new ATOM 0 HD12 ILE A 53 6.920 -8.426 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.960 -8.031 -2.631 1.00 0.00 H new ATOM 866 N LYS A 54 8.434 -6.092 1.336 1.00 0.00 N ATOM 867 CA LYS A 54 9.476 -7.000 1.891 1.00 0.00 C ATOM 868 C LYS A 54 9.891 -6.506 3.277 1.00 0.00 C ATOM 869 O LYS A 54 10.491 -7.222 4.053 1.00 0.00 O ATOM 870 CB LYS A 54 10.649 -6.910 0.912 1.00 0.00 C ATOM 871 CG LYS A 54 11.630 -8.051 1.189 1.00 0.00 C ATOM 872 CD LYS A 54 12.969 -7.750 0.514 1.00 0.00 C ATOM 873 CE LYS A 54 13.744 -6.727 1.348 1.00 0.00 C ATOM 874 NZ LYS A 54 14.532 -5.941 0.358 1.00 0.00 N ATOM 0 H LYS A 54 8.742 -5.136 1.156 1.00 0.00 H new ATOM 0 HA LYS A 54 9.126 -8.026 2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.286 -6.969 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.152 -5.949 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.771 -8.170 2.263 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.225 -8.991 0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 54 13.550 -8.666 0.411 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.802 -7.364 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.068 -6.085 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 54 14.396 -7.219 2.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.091 -5.218 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.171 -6.577 -0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 13.885 -5.479 -0.312 1.00 0.00 H new ATOM 888 N PHE A 55 9.563 -5.281 3.593 1.00 0.00 N ATOM 889 CA PHE A 55 9.923 -4.729 4.927 1.00 0.00 C ATOM 890 C PHE A 55 8.987 -5.302 5.995 1.00 0.00 C ATOM 891 O PHE A 55 7.799 -5.438 5.783 1.00 0.00 O ATOM 892 CB PHE A 55 9.728 -3.217 4.795 1.00 0.00 C ATOM 893 CG PHE A 55 11.075 -2.538 4.719 1.00 0.00 C ATOM 894 CD1 PHE A 55 12.067 -2.848 5.658 1.00 0.00 C ATOM 895 CD2 PHE A 55 11.333 -1.597 3.712 1.00 0.00 C ATOM 896 CE1 PHE A 55 13.315 -2.220 5.590 1.00 0.00 C ATOM 897 CE2 PHE A 55 12.582 -0.970 3.645 1.00 0.00 C ATOM 898 CZ PHE A 55 13.574 -1.282 4.583 1.00 0.00 C ATOM 0 H PHE A 55 9.060 -4.639 2.981 1.00 0.00 H new ATOM 0 HA PHE A 55 10.941 -4.981 5.223 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.145 -2.992 3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 55 9.165 -2.837 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.868 -3.572 6.434 1.00 0.00 H new ATOM 0 HD2 PHE A 55 10.568 -1.356 2.989 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.079 -2.459 6.315 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.781 -0.245 2.870 1.00 0.00 H new ATOM 0 HZ PHE A 55 14.539 -0.799 4.530 1.00 0.00 H new ATOM 908 N ASN A 56 9.512 -5.641 7.140 1.00 0.00 N ATOM 909 CA ASN A 56 8.649 -6.207 8.216 1.00 0.00 C ATOM 910 C ASN A 56 7.506 -5.241 8.542 1.00 0.00 C ATOM 911 O ASN A 56 6.484 -5.627 9.073 1.00 0.00 O ATOM 912 CB ASN A 56 9.575 -6.369 9.421 1.00 0.00 C ATOM 913 CG ASN A 56 10.307 -7.709 9.324 1.00 0.00 C ATOM 914 OD1 ASN A 56 10.738 -8.121 8.163 1.00 0.00 O flip ATOM 915 ND2 ASN A 56 10.490 -8.387 10.315 1.00 0.00 N flip ATOM 0 H ASN A 56 10.500 -5.551 7.377 1.00 0.00 H new ATOM 0 HA ASN A 56 8.191 -7.152 7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.294 -5.551 9.453 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.999 -6.323 10.345 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.153 -8.065 11.222 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.980 -9.278 10.240 1.00 0.00 H new ATOM 922 N ARG A 57 7.674 -3.986 8.227 1.00 0.00 N ATOM 923 CA ARG A 57 6.600 -2.992 8.518 1.00 0.00 C ATOM 924 C ARG A 57 5.387 -3.230 7.612 1.00 0.00 C ATOM 925 O ARG A 57 4.281 -2.835 7.927 1.00 0.00 O ATOM 926 CB ARG A 57 7.232 -1.630 8.229 1.00 0.00 C ATOM 927 CG ARG A 57 6.920 -0.668 9.377 1.00 0.00 C ATOM 928 CD ARG A 57 8.049 -0.719 10.410 1.00 0.00 C ATOM 929 NE ARG A 57 7.747 -1.909 11.253 1.00 0.00 N ATOM 930 CZ ARG A 57 8.685 -2.445 11.988 1.00 0.00 C ATOM 931 NH1 ARG A 57 9.887 -1.937 11.987 1.00 0.00 N ATOM 932 NH2 ARG A 57 8.419 -3.487 12.726 1.00 0.00 N ATOM 0 H ARG A 57 8.508 -3.605 7.781 1.00 0.00 H new ATOM 0 HA ARG A 57 6.240 -3.065 9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.311 -1.735 8.112 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.847 -1.230 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.809 0.347 8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.973 -0.938 9.844 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.022 -0.814 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.078 0.192 11.008 1.00 0.00 H new ATOM 0 HE ARG A 57 6.807 -2.306 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.095 -1.121 11.412 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.618 -2.356 12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.479 -3.883 12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.151 -3.906 13.300 1.00 0.00 H new ATOM 946 N LEU A 58 5.582 -3.866 6.488 1.00 0.00 N ATOM 947 CA LEU A 58 4.431 -4.118 5.569 1.00 0.00 C ATOM 948 C LEU A 58 4.107 -5.613 5.504 1.00 0.00 C ATOM 949 O LEU A 58 2.977 -6.020 5.686 1.00 0.00 O ATOM 950 CB LEU A 58 4.902 -3.614 4.206 1.00 0.00 C ATOM 951 CG LEU A 58 3.771 -2.837 3.532 1.00 0.00 C ATOM 952 CD1 LEU A 58 3.512 -1.541 4.302 1.00 0.00 C ATOM 953 CD2 LEU A 58 4.174 -2.502 2.094 1.00 0.00 C ATOM 0 H LEU A 58 6.483 -4.221 6.166 1.00 0.00 H new ATOM 0 HA LEU A 58 3.523 -3.617 5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.777 -2.974 4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.204 -4.454 3.580 1.00 0.00 H new ATOM 0 HG LEU A 58 2.865 -3.443 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.706 -0.987 3.821 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.229 -1.778 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.417 -0.933 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.370 -1.948 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.079 -1.895 2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.361 -3.424 1.544 1.00 0.00 H new ATOM 965 N ASN A 59 5.086 -6.436 5.242 1.00 0.00 N ATOM 966 CA ASN A 59 4.823 -7.903 5.164 1.00 0.00 C ATOM 967 C ASN A 59 4.184 -8.389 6.467 1.00 0.00 C ATOM 968 O ASN A 59 3.528 -9.411 6.506 1.00 0.00 O ATOM 969 CB ASN A 59 6.198 -8.543 4.957 1.00 0.00 C ATOM 970 CG ASN A 59 6.160 -10.005 5.408 1.00 0.00 C ATOM 971 OD1 ASN A 59 5.435 -10.806 4.851 1.00 0.00 O ATOM 972 ND2 ASN A 59 6.914 -10.390 6.400 1.00 0.00 N ATOM 0 H ASN A 59 6.054 -6.158 5.079 1.00 0.00 H new ATOM 0 HA ASN A 59 4.135 -8.162 4.359 1.00 0.00 H new ATOM 0 HB2 ASN A 59 6.483 -8.484 3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.953 -7.997 5.523 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.895 -11.362 6.708 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.523 -9.719 6.868 1.00 0.00 H new ATOM 979 N ARG A 60 4.367 -7.660 7.533 1.00 0.00 N ATOM 980 CA ARG A 60 3.767 -8.076 8.834 1.00 0.00 C ATOM 981 C ARG A 60 2.274 -8.364 8.658 1.00 0.00 C ATOM 982 O ARG A 60 1.690 -9.131 9.397 1.00 0.00 O ATOM 983 CB ARG A 60 3.978 -6.881 9.764 1.00 0.00 C ATOM 984 CG ARG A 60 3.136 -7.064 11.029 1.00 0.00 C ATOM 985 CD ARG A 60 4.047 -7.026 12.258 1.00 0.00 C ATOM 986 NE ARG A 60 3.992 -5.617 12.734 1.00 0.00 N ATOM 987 CZ ARG A 60 4.575 -5.281 13.852 1.00 0.00 C ATOM 988 NH1 ARG A 60 5.210 -6.180 14.555 1.00 0.00 N ATOM 989 NH2 ARG A 60 4.525 -4.044 14.267 1.00 0.00 N ATOM 0 H ARG A 60 4.906 -6.794 7.561 1.00 0.00 H new ATOM 0 HA ARG A 60 4.221 -8.985 9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.032 -6.792 10.026 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.696 -5.958 9.257 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.385 -6.277 11.096 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.601 -8.013 10.989 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.701 -7.716 13.027 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.066 -7.317 12.003 1.00 0.00 H new ATOM 0 HE ARG A 60 3.498 -4.913 12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.251 -7.146 14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.665 -5.916 15.429 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.031 -3.341 13.717 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.980 -3.780 15.141 1.00 0.00 H new ATOM 1003 N LEU A 61 1.651 -7.754 7.686 1.00 0.00 N ATOM 1004 CA LEU A 61 0.196 -7.994 7.466 1.00 0.00 C ATOM 1005 C LEU A 61 -0.104 -8.102 5.968 1.00 0.00 C ATOM 1006 O LEU A 61 -0.400 -9.166 5.461 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.501 -6.772 8.066 1.00 0.00 C ATOM 1008 CG LEU A 61 -1.733 -7.223 8.853 1.00 0.00 C ATOM 1009 CD1 LEU A 61 -1.494 -7.000 10.347 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -2.949 -6.410 8.405 1.00 0.00 C ATOM 0 H LEU A 61 2.086 -7.100 7.035 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.143 -8.923 7.924 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.185 -6.234 8.720 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.794 -6.082 7.275 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.915 -8.282 8.668 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.372 -7.321 10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.627 -7.578 10.667 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.313 -5.941 10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.827 -6.731 8.965 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.767 -5.351 8.590 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.120 -6.568 7.340 1.00 0.00 H new ATOM 1022 N THR A 62 -0.033 -7.010 5.258 1.00 0.00 N ATOM 1023 CA THR A 62 -0.316 -7.053 3.794 1.00 0.00 C ATOM 1024 C THR A 62 0.950 -6.734 2.995 1.00 0.00 C ATOM 1025 O THR A 62 1.584 -5.718 3.196 1.00 0.00 O ATOM 1026 CB THR A 62 -1.378 -5.977 3.564 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.641 -6.456 4.007 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.451 -5.642 2.073 1.00 0.00 C ATOM 0 H THR A 62 0.208 -6.090 5.627 1.00 0.00 H new ATOM 0 HA THR A 62 -0.653 -8.038 3.471 1.00 0.00 H new ATOM 0 HB THR A 62 -1.114 -5.080 4.124 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.895 -7.243 3.481 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.208 -4.875 1.909 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.482 -5.274 1.735 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.715 -6.538 1.511 1.00 0.00 H new ATOM 1036 N THR A 63 1.319 -7.594 2.085 1.00 0.00 N ATOM 1037 CA THR A 63 2.540 -7.338 1.270 1.00 0.00 C ATOM 1038 C THR A 63 2.332 -7.857 -0.158 1.00 0.00 C ATOM 1039 O THR A 63 3.248 -7.898 -0.956 1.00 0.00 O ATOM 1040 CB THR A 63 3.662 -8.100 1.992 1.00 0.00 C ATOM 1041 OG1 THR A 63 4.596 -7.167 2.518 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.380 -9.045 1.025 1.00 0.00 C ATOM 0 H THR A 63 0.828 -8.462 1.871 1.00 0.00 H new ATOM 0 HA THR A 63 2.777 -6.278 1.180 1.00 0.00 H new ATOM 0 HB THR A 63 3.226 -8.690 2.798 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.506 -7.511 2.396 1.00 0.00 H new ATOM 0 HG21 THR A 63 5.171 -9.576 1.555 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.667 -9.765 0.623 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.814 -8.469 0.208 1.00 0.00 H new ATOM 1050 N ASP A 64 1.129 -8.243 -0.489 1.00 0.00 N ATOM 1051 CA ASP A 64 0.859 -8.749 -1.865 1.00 0.00 C ATOM 1052 C ASP A 64 0.761 -7.575 -2.843 1.00 0.00 C ATOM 1053 O ASP A 64 -0.189 -6.818 -2.825 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.479 -9.480 -1.765 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.233 -10.954 -1.439 1.00 0.00 C ATOM 1056 OD1 ASP A 64 -0.061 -11.726 -2.369 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -0.219 -11.287 -0.266 1.00 0.00 O ATOM 0 H ASP A 64 0.322 -8.230 0.134 1.00 0.00 H new ATOM 0 HA ASP A 64 1.650 -9.404 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.097 -9.024 -0.992 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.025 -9.391 -2.704 1.00 0.00 H new ATOM 1062 N PHE A 65 1.741 -7.416 -3.689 1.00 0.00 N ATOM 1063 CA PHE A 65 1.720 -6.288 -4.666 1.00 0.00 C ATOM 1064 C PHE A 65 0.294 -6.007 -5.150 1.00 0.00 C ATOM 1065 O PHE A 65 -0.128 -4.873 -5.236 1.00 0.00 O ATOM 1066 CB PHE A 65 2.586 -6.762 -5.833 1.00 0.00 C ATOM 1067 CG PHE A 65 4.040 -6.760 -5.424 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.721 -5.547 -5.264 1.00 0.00 C ATOM 1069 CD2 PHE A 65 4.708 -7.972 -5.213 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.071 -5.547 -4.892 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.057 -7.971 -4.839 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.738 -6.759 -4.680 1.00 0.00 C ATOM 0 H PHE A 65 2.560 -8.021 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 65 2.087 -5.363 -4.221 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.286 -7.765 -6.137 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.440 -6.110 -6.694 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.205 -4.612 -5.427 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.183 -8.907 -5.339 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.597 -4.612 -4.769 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.572 -8.906 -4.673 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.779 -6.759 -4.393 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.446 -7.028 -5.484 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.837 -6.815 -5.984 1.00 0.00 C ATOM 1084 C ASN A 66 -2.768 -6.335 -4.864 1.00 0.00 C ATOM 1085 O ASN A 66 -3.629 -5.504 -5.079 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.285 -8.186 -6.493 1.00 0.00 C ATOM 1087 CG ASN A 66 -1.543 -8.517 -7.788 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -0.359 -8.790 -7.771 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -2.194 -8.504 -8.920 1.00 0.00 N ATOM 0 H ASN A 66 -0.149 -8.002 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.870 -6.048 -6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.083 -8.949 -5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.361 -8.187 -6.667 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.709 -8.723 -9.790 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -3.188 -8.275 -8.934 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.624 -6.859 -3.679 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.525 -6.439 -2.565 1.00 0.00 C ATOM 1098 C VAL A 67 -3.249 -4.990 -2.142 1.00 0.00 C ATOM 1099 O VAL A 67 -4.160 -4.237 -1.854 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.213 -7.412 -1.423 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -2.155 -6.811 -0.494 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -4.491 -7.685 -0.627 1.00 0.00 C ATOM 0 H VAL A 67 -1.924 -7.558 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.575 -6.469 -2.857 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.832 -8.343 -1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.941 -7.510 0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.243 -6.618 -1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.527 -5.876 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.272 -8.377 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.870 -6.750 -0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -5.242 -8.123 -1.284 1.00 0.00 H new ATOM 1112 N ILE A 68 -2.008 -4.594 -2.089 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.703 -3.189 -1.667 1.00 0.00 C ATOM 1114 C ILE A 68 -2.059 -2.219 -2.781 1.00 0.00 C ATOM 1115 O ILE A 68 -2.716 -1.217 -2.579 1.00 0.00 O ATOM 1116 CB ILE A 68 -0.190 -3.152 -1.408 1.00 0.00 C ATOM 1117 CG1 ILE A 68 0.555 -2.541 -2.600 1.00 0.00 C ATOM 1118 CG2 ILE A 68 0.345 -4.560 -1.169 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.963 -2.149 -2.160 1.00 0.00 C ATOM 0 H ILE A 68 -1.198 -5.170 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 68 -2.274 -2.902 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.024 -2.537 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.603 -3.257 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.020 -1.667 -2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.419 -4.515 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.152 -4.996 -0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.151 -5.177 -2.047 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.500 -1.713 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.902 -1.419 -1.353 1.00 0.00 H new ATOM 0 HD13 ILE A 68 2.494 -3.034 -1.810 1.00 0.00 H new ATOM 1131 N VAL A 69 -1.613 -2.520 -3.955 1.00 0.00 N ATOM 1132 CA VAL A 69 -1.899 -1.626 -5.116 1.00 0.00 C ATOM 1133 C VAL A 69 -3.409 -1.442 -5.266 1.00 0.00 C ATOM 1134 O VAL A 69 -3.884 -0.371 -5.587 1.00 0.00 O ATOM 1135 CB VAL A 69 -1.321 -2.341 -6.336 1.00 0.00 C ATOM 1136 CG1 VAL A 69 0.187 -2.523 -6.155 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -1.988 -3.709 -6.490 1.00 0.00 C ATOM 0 H VAL A 69 -1.059 -3.349 -4.172 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.462 -0.635 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.509 -1.745 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.599 -3.033 -7.026 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.661 -1.547 -6.048 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.377 -3.118 -5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.575 -4.219 -7.361 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.803 -4.307 -5.598 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.062 -3.577 -6.622 1.00 0.00 H new ATOM 1147 N GLU A 70 -4.170 -2.472 -5.021 1.00 0.00 N ATOM 1148 CA GLU A 70 -5.650 -2.339 -5.134 1.00 0.00 C ATOM 1149 C GLU A 70 -6.145 -1.316 -4.111 1.00 0.00 C ATOM 1150 O GLU A 70 -7.076 -0.576 -4.354 1.00 0.00 O ATOM 1151 CB GLU A 70 -6.201 -3.730 -4.817 1.00 0.00 C ATOM 1152 CG GLU A 70 -7.116 -4.188 -5.955 1.00 0.00 C ATOM 1153 CD GLU A 70 -6.491 -5.393 -6.659 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -5.338 -5.295 -7.048 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -7.175 -6.394 -6.797 1.00 0.00 O ATOM 0 H GLU A 70 -3.834 -3.396 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.970 -1.998 -6.119 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -5.381 -4.437 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.754 -3.709 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.098 -4.452 -5.562 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.265 -3.375 -6.666 1.00 0.00 H new ATOM 1162 N ALA A 71 -5.517 -1.268 -2.967 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.936 -0.292 -1.922 1.00 0.00 C ATOM 1164 C ALA A 71 -5.621 1.136 -2.381 1.00 0.00 C ATOM 1165 O ALA A 71 -6.431 2.032 -2.255 1.00 0.00 O ATOM 1166 CB ALA A 71 -5.103 -0.656 -0.691 1.00 0.00 C ATOM 0 H ALA A 71 -4.730 -1.864 -2.711 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.006 -0.332 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.351 0.018 0.129 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.320 -1.682 -0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -4.043 -0.563 -0.928 1.00 0.00 H new ATOM 1172 N LEU A 72 -4.448 1.348 -2.910 1.00 0.00 N ATOM 1173 CA LEU A 72 -4.071 2.712 -3.379 1.00 0.00 C ATOM 1174 C LEU A 72 -4.827 3.057 -4.668 1.00 0.00 C ATOM 1175 O LEU A 72 -5.091 4.209 -4.954 1.00 0.00 O ATOM 1176 CB LEU A 72 -2.559 2.633 -3.629 1.00 0.00 C ATOM 1177 CG LEU A 72 -2.201 3.343 -4.936 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -2.606 4.815 -4.845 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -0.691 3.246 -5.171 1.00 0.00 C ATOM 0 H LEU A 72 -3.732 0.633 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.322 3.489 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.021 3.091 -2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.245 1.590 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.731 2.870 -5.763 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.351 5.321 -5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.680 4.887 -4.675 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.076 5.288 -4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.434 3.751 -6.102 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.163 3.720 -4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.399 2.198 -5.235 1.00 0.00 H new ATOM 1191 N SER A 73 -5.171 2.070 -5.449 1.00 0.00 N ATOM 1192 CA SER A 73 -5.902 2.342 -6.720 1.00 0.00 C ATOM 1193 C SER A 73 -7.129 3.217 -6.454 1.00 0.00 C ATOM 1194 O SER A 73 -7.523 4.014 -7.282 1.00 0.00 O ATOM 1195 CB SER A 73 -6.325 0.968 -7.236 1.00 0.00 C ATOM 1196 OG SER A 73 -7.694 0.750 -6.921 1.00 0.00 O ATOM 0 H SER A 73 -4.978 1.086 -5.262 1.00 0.00 H new ATOM 0 HA SER A 73 -5.285 2.877 -7.442 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.174 0.909 -8.314 1.00 0.00 H new ATOM 0 HB3 SER A 73 -5.708 0.191 -6.785 1.00 0.00 H new ATOM 0 HG SER A 73 -7.970 -0.130 -7.252 1.00 0.00 H new ATOM 1202 N LYS A 74 -7.737 3.078 -5.308 1.00 0.00 N ATOM 1203 CA LYS A 74 -8.940 3.910 -5.003 1.00 0.00 C ATOM 1204 C LYS A 74 -8.689 4.781 -3.771 1.00 0.00 C ATOM 1205 O LYS A 74 -9.335 5.792 -3.572 1.00 0.00 O ATOM 1206 CB LYS A 74 -10.069 2.917 -4.720 1.00 0.00 C ATOM 1207 CG LYS A 74 -9.490 1.561 -4.307 1.00 0.00 C ATOM 1208 CD LYS A 74 -10.632 0.593 -3.993 1.00 0.00 C ATOM 1209 CE LYS A 74 -10.197 -0.833 -4.334 1.00 0.00 C ATOM 1210 NZ LYS A 74 -10.852 -1.133 -5.638 1.00 0.00 N ATOM 0 H LYS A 74 -7.457 2.429 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.183 4.578 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.712 3.302 -3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.691 2.800 -5.607 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.869 1.160 -5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.848 1.678 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.901 0.661 -2.939 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.519 0.861 -4.567 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.112 -0.907 -4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.511 -1.537 -3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.601 -2.096 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.884 -1.061 -5.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.529 -0.451 -6.354 1.00 0.00 H new ATOM 1224 N SER A 75 -7.757 4.402 -2.945 1.00 0.00 N ATOM 1225 CA SER A 75 -7.467 5.214 -1.730 1.00 0.00 C ATOM 1226 C SER A 75 -6.119 5.926 -1.875 1.00 0.00 C ATOM 1227 O SER A 75 -5.082 5.298 -1.950 1.00 0.00 O ATOM 1228 CB SER A 75 -7.419 4.208 -0.582 1.00 0.00 C ATOM 1229 OG SER A 75 -6.138 3.594 -0.551 1.00 0.00 O ATOM 0 H SER A 75 -7.183 3.566 -3.057 1.00 0.00 H new ATOM 0 HA SER A 75 -8.217 5.987 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.618 4.709 0.365 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.194 3.453 -0.712 1.00 0.00 H new ATOM 0 HG SER A 75 -5.928 3.230 -1.436 1.00 0.00 H new ATOM 1235 N LYS A 76 -6.124 7.230 -1.914 1.00 0.00 N ATOM 1236 CA LYS A 76 -4.847 7.982 -2.055 1.00 0.00 C ATOM 1237 C LYS A 76 -4.955 9.315 -1.312 1.00 0.00 C ATOM 1238 O LYS A 76 -5.345 10.321 -1.871 1.00 0.00 O ATOM 1239 CB LYS A 76 -4.682 8.218 -3.558 1.00 0.00 C ATOM 1240 CG LYS A 76 -5.077 6.955 -4.326 1.00 0.00 C ATOM 1241 CD LYS A 76 -4.496 7.012 -5.740 1.00 0.00 C ATOM 1242 CE LYS A 76 -4.925 8.316 -6.419 1.00 0.00 C ATOM 1243 NZ LYS A 76 -3.652 8.965 -6.839 1.00 0.00 N ATOM 0 H LYS A 76 -6.962 7.809 -1.854 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.996 7.443 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.303 9.056 -3.874 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.649 8.484 -3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.709 6.071 -3.806 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.163 6.869 -4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.408 6.952 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -4.842 6.157 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.571 8.122 -7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.486 8.952 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.862 9.866 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.061 9.143 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.143 8.339 -7.495 1.00 0.00 H new ATOM 1257 N ALA A 77 -4.619 9.327 -0.053 1.00 0.00 N ATOM 1258 CA ALA A 77 -4.708 10.590 0.741 1.00 0.00 C ATOM 1259 C ALA A 77 -3.659 11.600 0.293 1.00 0.00 C ATOM 1260 O ALA A 77 -3.373 12.567 0.970 1.00 0.00 O ATOM 1261 CB ALA A 77 -4.492 10.176 2.197 1.00 0.00 C ATOM 0 H ALA A 77 -4.285 8.514 0.465 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.672 11.081 0.604 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.545 11.057 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.265 9.466 2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.512 9.710 2.301 1.00 0.00 H new ATOM 1267 N GLU A 78 -3.097 11.376 -0.843 1.00 0.00 N ATOM 1268 CA GLU A 78 -2.062 12.307 -1.378 1.00 0.00 C ATOM 1269 C GLU A 78 -0.821 12.301 -0.482 1.00 0.00 C ATOM 1270 O GLU A 78 -0.069 13.255 -0.441 1.00 0.00 O ATOM 1271 CB GLU A 78 -2.724 13.686 -1.369 1.00 0.00 C ATOM 1272 CG GLU A 78 -4.115 13.589 -2.001 1.00 0.00 C ATOM 1273 CD GLU A 78 -5.181 13.674 -0.907 1.00 0.00 C ATOM 1274 OE1 GLU A 78 -4.938 14.350 0.079 1.00 0.00 O ATOM 1275 OE2 GLU A 78 -6.222 13.061 -1.074 1.00 0.00 O ATOM 0 H GLU A 78 -3.306 10.578 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.730 12.020 -2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.802 14.057 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.111 14.399 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.255 14.394 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.213 12.651 -2.547 1.00 0.00 H new ATOM 1282 N LEU A 79 -0.597 11.233 0.232 1.00 0.00 N ATOM 1283 CA LEU A 79 0.599 11.170 1.119 1.00 0.00 C ATOM 1284 C LEU A 79 1.869 11.025 0.274 1.00 0.00 C ATOM 1285 O LEU A 79 2.970 11.013 0.788 1.00 0.00 O ATOM 1286 CB LEU A 79 0.386 9.929 1.985 1.00 0.00 C ATOM 1287 CG LEU A 79 0.423 8.680 1.104 1.00 0.00 C ATOM 1288 CD1 LEU A 79 1.721 7.912 1.360 1.00 0.00 C ATOM 1289 CD2 LEU A 79 -0.772 7.785 1.439 1.00 0.00 C ATOM 0 H LEU A 79 -1.189 10.402 0.240 1.00 0.00 H new ATOM 0 HA LEU A 79 0.717 12.070 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.159 9.870 2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.571 9.994 2.503 1.00 0.00 H new ATOM 0 HG LEU A 79 0.376 8.974 0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.747 7.022 0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.573 8.549 1.123 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.769 7.618 2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.747 6.894 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.724 7.492 2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.698 8.331 1.257 1.00 0.00 H new ATOM 1301 N MET A 80 1.722 10.910 -1.017 1.00 0.00 N ATOM 1302 CA MET A 80 2.920 10.762 -1.893 1.00 0.00 C ATOM 1303 C MET A 80 2.498 10.714 -3.365 1.00 0.00 C ATOM 1304 O MET A 80 1.402 11.099 -3.720 1.00 0.00 O ATOM 1305 CB MET A 80 3.550 9.434 -1.474 1.00 0.00 C ATOM 1306 CG MET A 80 4.841 9.703 -0.699 1.00 0.00 C ATOM 1307 SD MET A 80 6.042 8.398 -1.057 1.00 0.00 S ATOM 1308 CE MET A 80 4.893 7.003 -0.956 1.00 0.00 C ATOM 0 H MET A 80 0.826 10.912 -1.504 1.00 0.00 H new ATOM 0 HA MET A 80 3.614 11.596 -1.790 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.853 8.868 -0.855 1.00 0.00 H new ATOM 0 HB3 MET A 80 3.761 8.826 -2.354 1.00 0.00 H new ATOM 0 HG2 MET A 80 5.249 10.674 -0.978 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.635 9.739 0.371 1.00 0.00 H new ATOM 0 HE1 MET A 80 5.437 6.103 -0.669 1.00 0.00 H new ATOM 0 HE2 MET A 80 4.126 7.216 -0.211 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.423 6.848 -1.927 1.00 0.00 H new ATOM 1318 N GLU A 81 3.362 10.242 -4.222 1.00 0.00 N ATOM 1319 CA GLU A 81 3.013 10.169 -5.670 1.00 0.00 C ATOM 1320 C GLU A 81 3.293 8.763 -6.208 1.00 0.00 C ATOM 1321 O GLU A 81 4.340 8.194 -5.969 1.00 0.00 O ATOM 1322 CB GLU A 81 3.918 11.195 -6.351 1.00 0.00 C ATOM 1323 CG GLU A 81 3.079 12.389 -6.813 1.00 0.00 C ATOM 1324 CD GLU A 81 2.581 12.142 -8.238 1.00 0.00 C ATOM 1325 OE1 GLU A 81 2.603 10.999 -8.662 1.00 0.00 O ATOM 1326 OE2 GLU A 81 2.186 13.102 -8.880 1.00 0.00 O ATOM 0 H GLU A 81 4.294 9.904 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 81 1.958 10.376 -5.852 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.693 11.527 -5.660 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.424 10.741 -7.203 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.233 12.534 -6.141 1.00 0.00 H new ATOM 0 HG3 GLU A 81 3.675 13.301 -6.778 1.00 0.00 H new ATOM 1333 N ILE A 82 2.365 8.198 -6.931 1.00 0.00 N ATOM 1334 CA ILE A 82 2.579 6.827 -7.481 1.00 0.00 C ATOM 1335 C ILE A 82 2.438 6.839 -9.005 1.00 0.00 C ATOM 1336 O ILE A 82 1.618 7.546 -9.557 1.00 0.00 O ATOM 1337 CB ILE A 82 1.481 5.972 -6.849 1.00 0.00 C ATOM 1338 CG1 ILE A 82 1.390 6.278 -5.352 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.810 4.492 -7.049 1.00 0.00 C ATOM 1340 CD1 ILE A 82 2.677 5.832 -4.659 1.00 0.00 C ATOM 0 H ILE A 82 1.469 8.625 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 82 3.575 6.444 -7.258 1.00 0.00 H new ATOM 0 HB ILE A 82 0.526 6.200 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.233 7.346 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 82 0.533 5.763 -4.917 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.028 3.881 -6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.872 4.274 -8.115 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.765 4.264 -6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.611 6.050 -3.593 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.815 4.760 -4.802 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.525 6.367 -5.087 1.00 0.00 H new ATOM 1352 N SER A 83 3.231 6.061 -9.689 1.00 0.00 N ATOM 1353 CA SER A 83 3.142 6.028 -11.177 1.00 0.00 C ATOM 1354 C SER A 83 1.793 5.452 -11.616 1.00 0.00 C ATOM 1355 O SER A 83 0.981 5.057 -10.802 1.00 0.00 O ATOM 1356 CB SER A 83 4.281 5.114 -11.623 1.00 0.00 C ATOM 1357 OG SER A 83 4.431 5.204 -13.034 1.00 0.00 O ATOM 0 H SER A 83 3.937 5.447 -9.283 1.00 0.00 H new ATOM 0 HA SER A 83 3.221 7.023 -11.615 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.209 5.402 -11.128 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.071 4.084 -11.333 1.00 0.00 H new ATOM 0 HG SER A 83 4.488 4.303 -13.415 1.00 0.00 H new ATOM 1363 N GLU A 84 1.547 5.403 -12.896 1.00 0.00 N ATOM 1364 CA GLU A 84 0.250 4.856 -13.388 1.00 0.00 C ATOM 1365 C GLU A 84 0.311 3.328 -13.469 1.00 0.00 C ATOM 1366 O GLU A 84 -0.698 2.665 -13.616 1.00 0.00 O ATOM 1367 CB GLU A 84 0.071 5.460 -14.782 1.00 0.00 C ATOM 1368 CG GLU A 84 0.156 6.985 -14.693 1.00 0.00 C ATOM 1369 CD GLU A 84 -0.926 7.501 -13.741 1.00 0.00 C ATOM 1370 OE1 GLU A 84 -2.056 7.057 -13.864 1.00 0.00 O ATOM 1371 OE2 GLU A 84 -0.606 8.331 -12.907 1.00 0.00 O ATOM 0 H GLU A 84 2.188 5.718 -13.624 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.579 5.103 -12.725 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.840 5.081 -15.455 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.892 5.163 -15.198 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.142 7.285 -14.337 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.026 7.426 -15.681 1.00 0.00 H new ATOM 1378 N ASP A 85 1.484 2.760 -13.381 1.00 0.00 N ATOM 1379 CA ASP A 85 1.597 1.274 -13.461 1.00 0.00 C ATOM 1380 C ASP A 85 1.118 0.629 -12.157 1.00 0.00 C ATOM 1381 O ASP A 85 0.907 -0.566 -12.088 1.00 0.00 O ATOM 1382 CB ASP A 85 3.086 1.003 -13.677 1.00 0.00 C ATOM 1383 CG ASP A 85 3.560 1.729 -14.938 1.00 0.00 C ATOM 1384 OD1 ASP A 85 2.954 1.526 -15.977 1.00 0.00 O ATOM 1385 OD2 ASP A 85 4.521 2.475 -14.843 1.00 0.00 O ATOM 0 H ASP A 85 2.366 3.258 -13.258 1.00 0.00 H new ATOM 0 HA ASP A 85 0.984 0.858 -14.261 1.00 0.00 H new ATOM 0 HB2 ASP A 85 3.657 1.342 -12.813 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.261 -0.068 -13.774 1.00 0.00 H new ATOM 1390 N LYS A 86 0.943 1.407 -11.124 1.00 0.00 N ATOM 1391 CA LYS A 86 0.477 0.832 -9.829 1.00 0.00 C ATOM 1392 C LYS A 86 1.511 -0.157 -9.281 1.00 0.00 C ATOM 1393 O LYS A 86 1.169 -1.193 -8.747 1.00 0.00 O ATOM 1394 CB LYS A 86 -0.828 0.110 -10.166 1.00 0.00 C ATOM 1395 CG LYS A 86 -1.999 0.821 -9.483 1.00 0.00 C ATOM 1396 CD LYS A 86 -3.019 -0.214 -9.008 1.00 0.00 C ATOM 1397 CE LYS A 86 -4.155 -0.318 -10.027 1.00 0.00 C ATOM 1398 NZ LYS A 86 -4.638 1.080 -10.208 1.00 0.00 N ATOM 0 H LYS A 86 1.102 2.415 -11.120 1.00 0.00 H new ATOM 0 HA LYS A 86 0.337 1.597 -9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.979 0.094 -11.245 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.777 -0.928 -9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.639 1.407 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.469 1.518 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.538 -1.184 -8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.416 0.072 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.803 -0.739 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.952 -0.967 -9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.673 1.079 -10.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.371 1.650 -9.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -4.207 1.488 -11.062 1.00 0.00 H new ATOM 1412 N THR A 87 2.772 0.154 -9.408 1.00 0.00 N ATOM 1413 CA THR A 87 3.822 -0.772 -8.893 1.00 0.00 C ATOM 1414 C THR A 87 5.016 0.022 -8.355 1.00 0.00 C ATOM 1415 O THR A 87 6.125 -0.471 -8.292 1.00 0.00 O ATOM 1416 CB THR A 87 4.239 -1.610 -10.104 1.00 0.00 C ATOM 1417 OG1 THR A 87 5.146 -2.621 -9.688 1.00 0.00 O ATOM 1418 CG2 THR A 87 4.914 -0.710 -11.141 1.00 0.00 C ATOM 0 H THR A 87 3.121 1.007 -9.845 1.00 0.00 H new ATOM 0 HA THR A 87 3.458 -1.390 -8.072 1.00 0.00 H new ATOM 0 HB THR A 87 3.358 -2.073 -10.548 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.855 -2.220 -9.143 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.211 -1.307 -12.003 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.217 0.065 -11.459 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.796 -0.246 -10.700 1.00 0.00 H new ATOM 1426 N LYS A 88 4.799 1.249 -7.968 1.00 0.00 N ATOM 1427 CA LYS A 88 5.923 2.073 -7.436 1.00 0.00 C ATOM 1428 C LYS A 88 5.375 3.257 -6.632 1.00 0.00 C ATOM 1429 O LYS A 88 4.262 3.697 -6.838 1.00 0.00 O ATOM 1430 CB LYS A 88 6.694 2.548 -8.675 1.00 0.00 C ATOM 1431 CG LYS A 88 6.162 3.907 -9.145 1.00 0.00 C ATOM 1432 CD LYS A 88 7.114 4.486 -10.194 1.00 0.00 C ATOM 1433 CE LYS A 88 6.991 3.687 -11.493 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.391 3.521 -11.974 1.00 0.00 N ATOM 0 H LYS A 88 3.893 1.717 -7.997 1.00 0.00 H new ATOM 0 HA LYS A 88 6.567 1.512 -6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.756 2.626 -8.443 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.596 1.815 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.163 3.794 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.076 4.589 -8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.877 5.534 -10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.140 4.450 -9.828 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.516 2.722 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.381 4.216 -12.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 8.391 2.982 -12.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.815 4.456 -12.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.945 3.009 -11.259 1.00 0.00 H new ATOM 1448 N ILE A 89 6.155 3.785 -5.729 1.00 0.00 N ATOM 1449 CA ILE A 89 5.684 4.949 -4.925 1.00 0.00 C ATOM 1450 C ILE A 89 6.789 6.004 -4.855 1.00 0.00 C ATOM 1451 O ILE A 89 7.961 5.694 -4.936 1.00 0.00 O ATOM 1452 CB ILE A 89 5.360 4.384 -3.538 1.00 0.00 C ATOM 1453 CG1 ILE A 89 6.647 4.201 -2.732 1.00 0.00 C ATOM 1454 CG2 ILE A 89 4.668 3.031 -3.696 1.00 0.00 C ATOM 1455 CD1 ILE A 89 6.299 3.965 -1.262 1.00 0.00 C ATOM 0 H ILE A 89 7.098 3.461 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 89 4.810 5.434 -5.360 1.00 0.00 H new ATOM 0 HB ILE A 89 4.705 5.079 -3.012 1.00 0.00 H new ATOM 0 HG12 ILE A 89 7.216 3.357 -3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.279 5.084 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 89 4.435 2.624 -2.712 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.746 3.158 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 89 5.328 2.344 -4.225 1.00 0.00 H new ATOM 0 HD11 ILE A 89 7.216 3.835 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.748 4.823 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.684 3.069 -1.173 1.00 0.00 H new ATOM 1467 N ARG A 90 6.431 7.250 -4.734 1.00 0.00 N ATOM 1468 CA ARG A 90 7.470 8.316 -4.691 1.00 0.00 C ATOM 1469 C ARG A 90 6.988 9.514 -3.871 1.00 0.00 C ATOM 1470 O ARG A 90 5.804 9.724 -3.696 1.00 0.00 O ATOM 1471 CB ARG A 90 7.674 8.707 -6.154 1.00 0.00 C ATOM 1472 CG ARG A 90 8.336 10.079 -6.235 1.00 0.00 C ATOM 1473 CD ARG A 90 8.738 10.370 -7.683 1.00 0.00 C ATOM 1474 NE ARG A 90 7.729 11.348 -8.173 1.00 0.00 N ATOM 1475 CZ ARG A 90 7.987 12.083 -9.220 1.00 0.00 C ATOM 1476 NH1 ARG A 90 9.130 11.963 -9.839 1.00 0.00 N ATOM 1477 NH2 ARG A 90 7.102 12.941 -9.650 1.00 0.00 N ATOM 0 H ARG A 90 5.467 7.577 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 90 8.392 7.977 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.294 7.964 -6.655 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.715 8.725 -6.672 1.00 0.00 H new ATOM 0 HG2 ARG A 90 7.650 10.847 -5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 90 9.214 10.109 -5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.746 10.782 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 90 8.732 9.461 -8.285 1.00 0.00 H new ATOM 0 HE ARG A 90 6.836 11.444 -7.690 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.823 11.294 -9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 90 9.330 12.538 -10.657 1.00 0.00 H new ATOM 0 HH21 ARG A 90 6.208 13.037 -9.168 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.304 13.515 -10.468 1.00 0.00 H new ATOM 1491 N ARG A 91 7.898 10.316 -3.390 1.00 0.00 N ATOM 1492 CA ARG A 91 7.499 11.520 -2.607 1.00 0.00 C ATOM 1493 C ARG A 91 7.399 12.716 -3.556 1.00 0.00 C ATOM 1494 O ARG A 91 8.239 12.907 -4.410 1.00 0.00 O ATOM 1495 CB ARG A 91 8.622 11.730 -1.587 1.00 0.00 C ATOM 1496 CG ARG A 91 8.604 13.180 -1.092 1.00 0.00 C ATOM 1497 CD ARG A 91 8.460 13.202 0.432 1.00 0.00 C ATOM 1498 NE ARG A 91 7.338 14.145 0.697 1.00 0.00 N ATOM 1499 CZ ARG A 91 6.108 13.787 0.447 1.00 0.00 C ATOM 1500 NH1 ARG A 91 5.856 12.601 -0.035 1.00 0.00 N ATOM 1501 NH2 ARG A 91 5.128 14.618 0.682 1.00 0.00 N ATOM 0 H ARG A 91 8.903 10.189 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 91 6.534 11.405 -2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 91 8.496 11.047 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.586 11.502 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.522 13.687 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.778 13.722 -1.553 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.241 12.208 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.380 13.538 0.911 1.00 0.00 H new ATOM 0 HE ARG A 91 7.531 15.073 1.075 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.621 11.951 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.894 12.323 -0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 91 5.325 15.545 1.060 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.166 14.340 0.487 1.00 0.00 H new ATOM 1515 N SER A 92 6.380 13.517 -3.426 1.00 0.00 N ATOM 1516 CA SER A 92 6.242 14.684 -4.339 1.00 0.00 C ATOM 1517 C SER A 92 7.391 15.668 -4.110 1.00 0.00 C ATOM 1518 O SER A 92 7.435 16.350 -3.106 1.00 0.00 O ATOM 1519 CB SER A 92 4.906 15.325 -3.964 1.00 0.00 C ATOM 1520 OG SER A 92 3.848 14.445 -4.320 1.00 0.00 O ATOM 0 H SER A 92 5.640 13.415 -2.731 1.00 0.00 H new ATOM 0 HA SER A 92 6.274 14.394 -5.389 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.877 15.534 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.790 16.279 -4.478 1.00 0.00 H new ATOM 0 HG SER A 92 2.989 14.852 -4.080 1.00 0.00 H new ATOM 1526 N PRO A 93 8.285 15.709 -5.062 1.00 0.00 N ATOM 1527 CA PRO A 93 9.448 16.624 -4.969 1.00 0.00 C ATOM 1528 C PRO A 93 8.951 18.067 -4.979 1.00 0.00 C ATOM 1529 O PRO A 93 9.608 18.970 -4.502 1.00 0.00 O ATOM 1530 CB PRO A 93 10.258 16.320 -6.230 1.00 0.00 C ATOM 1531 CG PRO A 93 9.299 15.644 -7.157 1.00 0.00 C ATOM 1532 CD PRO A 93 8.295 14.926 -6.299 1.00 0.00 C ATOM 0 HA PRO A 93 10.037 16.492 -4.061 1.00 0.00 H new ATOM 0 HB2 PRO A 93 10.656 17.233 -6.672 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.109 15.677 -6.006 1.00 0.00 H new ATOM 0 HG2 PRO A 93 8.806 16.372 -7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 93 9.821 14.944 -7.809 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.311 14.901 -6.767 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.588 13.892 -6.118 1.00 0.00 H new ATOM 1540 N SER A 94 7.783 18.279 -5.517 1.00 0.00 N ATOM 1541 CA SER A 94 7.217 19.652 -5.564 1.00 0.00 C ATOM 1542 C SER A 94 6.473 19.952 -4.264 1.00 0.00 C ATOM 1543 O SER A 94 5.905 21.012 -4.095 1.00 0.00 O ATOM 1544 CB SER A 94 6.247 19.637 -6.742 1.00 0.00 C ATOM 1545 OG SER A 94 6.941 19.241 -7.917 1.00 0.00 O ATOM 0 H SER A 94 7.194 17.555 -5.928 1.00 0.00 H new ATOM 0 HA SER A 94 7.986 20.416 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.425 18.950 -6.542 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.809 20.626 -6.880 1.00 0.00 H new ATOM 0 HG SER A 94 6.320 19.229 -8.675 1.00 0.00 H new ATOM 1551 N LYS A 95 6.484 19.035 -3.330 1.00 0.00 N ATOM 1552 CA LYS A 95 5.792 19.285 -2.035 1.00 0.00 C ATOM 1553 C LYS A 95 6.813 19.242 -0.892 1.00 0.00 C ATOM 1554 O LYS A 95 7.627 18.341 -0.826 1.00 0.00 O ATOM 1555 CB LYS A 95 4.777 18.150 -1.897 1.00 0.00 C ATOM 1556 CG LYS A 95 3.526 18.482 -2.714 1.00 0.00 C ATOM 1557 CD LYS A 95 2.961 19.828 -2.257 1.00 0.00 C ATOM 1558 CE LYS A 95 1.500 19.948 -2.700 1.00 0.00 C ATOM 1559 NZ LYS A 95 0.703 19.644 -1.479 1.00 0.00 N ATOM 0 H LYS A 95 6.942 18.127 -3.410 1.00 0.00 H new ATOM 0 HA LYS A 95 5.307 20.260 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.213 17.213 -2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.513 18.009 -0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 95 3.771 18.520 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.778 17.700 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.031 19.914 -1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 95 3.548 20.643 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.282 20.948 -3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.272 19.249 -3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.311 19.706 -1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.927 18.684 -1.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.936 20.330 -0.733 1.00 0.00 H new ATOM 1573 N PRO A 96 6.740 20.220 -0.034 1.00 0.00 N ATOM 1574 CA PRO A 96 7.678 20.297 1.112 1.00 0.00 C ATOM 1575 C PRO A 96 7.422 19.171 2.113 1.00 0.00 C ATOM 1576 O PRO A 96 6.306 18.728 2.302 1.00 0.00 O ATOM 1577 CB PRO A 96 7.386 21.645 1.750 1.00 0.00 C ATOM 1578 CG PRO A 96 6.016 22.024 1.276 1.00 0.00 C ATOM 1579 CD PRO A 96 5.791 21.336 -0.047 1.00 0.00 C ATOM 0 HA PRO A 96 8.716 20.194 0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.421 21.580 2.838 1.00 0.00 H new ATOM 0 HB3 PRO A 96 8.124 22.389 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 96 5.261 21.719 2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.933 23.105 1.165 1.00 0.00 H new ATOM 0 HD2 PRO A 96 4.764 20.985 -0.144 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.978 22.009 -0.884 1.00 0.00 H new ATOM 1587 N LEU A 97 8.452 18.733 2.775 1.00 0.00 N ATOM 1588 CA LEU A 97 8.297 17.666 3.796 1.00 0.00 C ATOM 1589 C LEU A 97 8.811 18.204 5.124 1.00 0.00 C ATOM 1590 O LEU A 97 9.952 18.602 5.245 1.00 0.00 O ATOM 1591 CB LEU A 97 9.112 16.464 3.310 1.00 0.00 C ATOM 1592 CG LEU A 97 10.508 16.465 3.940 1.00 0.00 C ATOM 1593 CD1 LEU A 97 10.419 15.945 5.377 1.00 0.00 C ATOM 1594 CD2 LEU A 97 11.431 15.552 3.129 1.00 0.00 C ATOM 0 H LEU A 97 9.406 19.073 2.650 1.00 0.00 H new ATOM 0 HA LEU A 97 7.260 17.360 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 97 8.593 15.540 3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.198 16.492 2.224 1.00 0.00 H new ATOM 0 HG LEU A 97 10.905 17.480 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 97 11.412 15.945 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.758 16.589 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 97 10.023 14.929 5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 97 12.425 15.551 3.575 1.00 0.00 H new ATOM 0 HD22 LEU A 97 11.032 14.538 3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.494 15.916 2.104 1.00 0.00 H new ATOM 1606 N PRO A 98 7.929 18.240 6.056 1.00 0.00 N ATOM 1607 CA PRO A 98 8.235 18.778 7.386 1.00 0.00 C ATOM 1608 C PRO A 98 8.651 17.679 8.361 1.00 0.00 C ATOM 1609 O PRO A 98 8.312 16.524 8.202 1.00 0.00 O ATOM 1610 CB PRO A 98 6.903 19.359 7.767 1.00 0.00 C ATOM 1611 CG PRO A 98 5.917 18.369 7.219 1.00 0.00 C ATOM 1612 CD PRO A 98 6.541 17.787 5.976 1.00 0.00 C ATOM 0 HA PRO A 98 9.065 19.484 7.401 1.00 0.00 H new ATOM 0 HB2 PRO A 98 6.806 19.465 8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 98 6.759 20.349 7.335 1.00 0.00 H new ATOM 0 HG2 PRO A 98 5.705 17.588 7.949 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.969 18.854 6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 98 6.473 16.699 5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 98 6.051 18.149 5.072 1.00 0.00 H new ATOM 1620 N GLU A 99 9.378 18.044 9.374 1.00 0.00 N ATOM 1621 CA GLU A 99 9.827 17.042 10.381 1.00 0.00 C ATOM 1622 C GLU A 99 9.178 17.332 11.736 1.00 0.00 C ATOM 1623 O GLU A 99 9.669 18.130 12.510 1.00 0.00 O ATOM 1624 CB GLU A 99 11.344 17.215 10.466 1.00 0.00 C ATOM 1625 CG GLU A 99 11.929 16.151 11.399 1.00 0.00 C ATOM 1626 CD GLU A 99 12.937 16.800 12.348 1.00 0.00 C ATOM 1627 OE1 GLU A 99 14.077 16.968 11.944 1.00 0.00 O ATOM 1628 OE2 GLU A 99 12.554 17.120 13.460 1.00 0.00 O ATOM 0 H GLU A 99 9.684 19.000 9.552 1.00 0.00 H new ATOM 0 HA GLU A 99 9.549 16.025 10.104 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.787 17.127 9.474 1.00 0.00 H new ATOM 0 HB3 GLU A 99 11.587 18.211 10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.132 15.675 11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.415 15.369 10.816 1.00 0.00 H new ATOM 1635 N VAL A 100 8.081 16.692 12.032 1.00 0.00 N ATOM 1636 CA VAL A 100 7.410 16.937 13.340 1.00 0.00 C ATOM 1637 C VAL A 100 8.105 16.133 14.441 1.00 0.00 C ATOM 1638 O VAL A 100 8.422 14.972 14.271 1.00 0.00 O ATOM 1639 CB VAL A 100 5.972 16.453 13.148 1.00 0.00 C ATOM 1640 CG1 VAL A 100 5.368 17.125 11.913 1.00 0.00 C ATOM 1641 CG2 VAL A 100 5.967 14.936 12.958 1.00 0.00 C ATOM 0 H VAL A 100 7.621 16.012 11.427 1.00 0.00 H new ATOM 0 HA VAL A 100 7.447 17.985 13.636 1.00 0.00 H new ATOM 0 HB VAL A 100 5.381 16.711 14.027 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.343 16.780 11.776 1.00 0.00 H new ATOM 0 HG12 VAL A 100 5.372 18.207 12.049 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.958 16.868 11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.943 14.590 12.821 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.558 14.677 12.079 1.00 0.00 H new ATOM 0 HG23 VAL A 100 6.397 14.458 13.838 1.00 0.00 H new ATOM 1651 N THR A 101 8.347 16.741 15.568 1.00 0.00 N ATOM 1652 CA THR A 101 9.025 16.011 16.677 1.00 0.00 C ATOM 1653 C THR A 101 8.065 15.825 17.855 1.00 0.00 C ATOM 1654 O THR A 101 7.475 16.769 18.343 1.00 0.00 O ATOM 1655 CB THR A 101 10.201 16.903 17.078 1.00 0.00 C ATOM 1656 OG1 THR A 101 9.717 18.190 17.433 1.00 0.00 O ATOM 1657 CG2 THR A 101 11.173 17.025 15.904 1.00 0.00 C ATOM 0 H THR A 101 8.105 17.711 15.770 1.00 0.00 H new ATOM 0 HA THR A 101 9.352 15.016 16.376 1.00 0.00 H new ATOM 0 HB THR A 101 10.719 16.463 17.930 1.00 0.00 H new ATOM 0 HG1 THR A 101 8.783 18.120 17.720 1.00 0.00 H new ATOM 0 HG21 THR A 101 12.011 17.661 16.190 1.00 0.00 H new ATOM 0 HG22 THR A 101 11.543 16.036 15.634 1.00 0.00 H new ATOM 0 HG23 THR A 101 10.658 17.465 15.050 1.00 0.00 H new ATOM 1665 N ASP A 102 7.903 14.615 18.315 1.00 0.00 N ATOM 1666 CA ASP A 102 6.983 14.369 19.462 1.00 0.00 C ATOM 1667 C ASP A 102 7.654 14.783 20.774 1.00 0.00 C ATOM 1668 O ASP A 102 8.711 14.296 21.123 1.00 0.00 O ATOM 1669 CB ASP A 102 6.720 12.864 19.444 1.00 0.00 C ATOM 1670 CG ASP A 102 5.737 12.529 18.321 1.00 0.00 C ATOM 1671 OD1 ASP A 102 6.117 12.657 17.169 1.00 0.00 O ATOM 1672 OD2 ASP A 102 4.619 12.151 18.633 1.00 0.00 O ATOM 0 H ASP A 102 8.368 13.785 17.946 1.00 0.00 H new ATOM 0 HA ASP A 102 6.060 14.943 19.383 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.655 12.323 19.296 1.00 0.00 H new ATOM 0 HB3 ASP A 102 6.314 12.544 20.404 1.00 0.00 H new ATOM 1677 N GLU A 103 7.047 15.678 21.505 1.00 0.00 N ATOM 1678 CA GLU A 103 7.652 16.122 22.795 1.00 0.00 C ATOM 1679 C GLU A 103 6.689 15.846 23.953 1.00 0.00 C ATOM 1680 O GLU A 103 6.212 14.727 24.047 1.00 0.00 O ATOM 1681 CB GLU A 103 7.876 17.625 22.630 1.00 0.00 C ATOM 1682 CG GLU A 103 6.525 18.335 22.528 1.00 0.00 C ATOM 1683 CD GLU A 103 6.612 19.449 21.483 1.00 0.00 C ATOM 1684 OE1 GLU A 103 7.686 19.638 20.935 1.00 0.00 O ATOM 1685 OE2 GLU A 103 5.603 20.093 21.248 1.00 0.00 O ATOM 1686 OXT GLU A 103 6.446 16.758 24.725 1.00 0.00 O ATOM 0 H GLU A 103 6.160 16.121 21.266 1.00 0.00 H new ATOM 0 HA GLU A 103 8.579 15.594 23.021 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.440 18.014 23.477 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.469 17.819 21.736 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.748 17.623 22.252 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.247 18.751 23.496 1.00 0.00 H new TER 1693 GLU A 103