USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 606 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 Single : A 6 LYS NZ :NH3+ -162:sc= -0.03 (180deg=-0.388) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.0011) USER MOD Single : A 11 ASN : amide:sc= -1.52 K(o=-1.5,f=-8.5!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -5:sc= 0.727 USER MOD Single : A 17 CYS SG : rot -152:sc= -5.94! USER MOD Single : A 22 GLN : amide:sc= -0.0284 K(o=-0.028,f=-1.2) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 8:sc= 0.116 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -1.7! (180deg=-2.16!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 30:sc= -4.3! USER MOD Single : A 56 ASN : amide:sc= -2.88! C(o=-2.9!,f=-10!) USER MOD Single : A 57 ASN : amide:sc= -0.159 K(o=-0.16,f=-2.4!) USER MOD Single : A 58 ASN : amide:sc= -5.34! C(o=-5.3!,f=-8.1!) USER MOD Single : A 60 THR OG1 : rot 11:sc= 0.0377! USER MOD Single : A 61 GLN : amide:sc= -0.477 K(o=-0.48,f=-2.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -176:sc= -3.28! (180deg=-3.37!) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.335 F(o=-0.89,f=-0.33) USER MOD Single : A 69 THR OG1 : rot 160:sc= -0.489 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 19:sc= 0.0983 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 13.282 -1.945 -3.028 1.00 0.00 N ATOM 21 CA GLU A 2 12.052 -1.978 -3.867 1.00 0.00 C ATOM 22 C GLU A 2 11.138 -3.106 -3.384 1.00 0.00 C ATOM 23 O GLU A 2 11.545 -4.247 -3.284 1.00 0.00 O ATOM 24 CB GLU A 2 12.436 -2.224 -5.327 1.00 0.00 C ATOM 25 CG GLU A 2 13.539 -1.246 -5.737 1.00 0.00 C ATOM 26 CD GLU A 2 13.815 -1.386 -7.235 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.430 -2.371 -7.614 1.00 0.00 O ATOM 28 OE2 GLU A 2 13.409 -0.509 -7.978 1.00 0.00 O ATOM 0 HA GLU A 2 11.530 -1.025 -3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.779 -3.250 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.565 -2.096 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.238 -0.224 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.447 -1.447 -5.169 1.00 0.00 H new ATOM 35 N TRP A 3 9.902 -2.797 -3.082 1.00 0.00 N ATOM 36 CA TRP A 3 8.955 -3.851 -2.605 1.00 0.00 C ATOM 37 C TRP A 3 8.107 -4.341 -3.780 1.00 0.00 C ATOM 38 O TRP A 3 8.191 -3.823 -4.877 1.00 0.00 O ATOM 39 CB TRP A 3 8.039 -3.260 -1.531 1.00 0.00 C ATOM 40 CG TRP A 3 8.866 -2.563 -0.500 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.567 -1.424 -0.705 1.00 0.00 C ATOM 42 CD2 TRP A 3 9.092 -2.937 0.890 1.00 0.00 C ATOM 43 NE1 TRP A 3 10.209 -1.075 0.470 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.947 -1.976 1.482 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.644 -4.005 1.688 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.342 -2.073 2.817 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.040 -4.105 3.031 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.887 -3.141 3.595 1.00 0.00 C ATOM 0 H TRP A 3 9.507 -1.859 -3.145 1.00 0.00 H new ATOM 0 HA TRP A 3 9.518 -4.686 -2.188 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.336 -2.560 -1.982 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.449 -4.050 -1.066 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.617 -0.876 -1.635 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.803 -0.253 0.575 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.991 -4.753 1.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.995 -1.328 3.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.690 -4.930 3.634 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.187 -3.223 4.629 1.00 0.00 H new ATOM 59 N TRP A 4 7.288 -5.338 -3.557 1.00 0.00 N ATOM 60 CA TRP A 4 6.423 -5.875 -4.656 1.00 0.00 C ATOM 61 C TRP A 4 5.021 -6.138 -4.104 1.00 0.00 C ATOM 62 O TRP A 4 4.849 -6.872 -3.152 1.00 0.00 O ATOM 63 CB TRP A 4 7.015 -7.186 -5.175 1.00 0.00 C ATOM 64 CG TRP A 4 8.414 -6.952 -5.649 1.00 0.00 C ATOM 65 CD1 TRP A 4 9.470 -6.676 -4.850 1.00 0.00 C ATOM 66 CD2 TRP A 4 8.927 -6.971 -7.013 1.00 0.00 C ATOM 67 NE1 TRP A 4 10.598 -6.521 -5.636 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.314 -6.694 -6.976 1.00 0.00 C ATOM 69 CE3 TRP A 4 8.329 -7.199 -8.266 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.081 -6.645 -8.142 1.00 0.00 C ATOM 71 CZ3 TRP A 4 9.098 -7.151 -9.440 1.00 0.00 C ATOM 72 CH2 TRP A 4 10.470 -6.874 -9.378 1.00 0.00 C ATOM 0 H TRP A 4 7.180 -5.806 -2.657 1.00 0.00 H new ATOM 0 HA TRP A 4 6.371 -5.152 -5.470 1.00 0.00 H new ATOM 0 HB2 TRP A 4 7.009 -7.937 -4.385 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.404 -7.575 -5.990 1.00 0.00 H new ATOM 0 HD1 TRP A 4 9.438 -6.591 -3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 4 11.525 -6.305 -5.270 1.00 0.00 H new ATOM 0 HE3 TRP A 4 7.272 -7.412 -8.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.138 -6.432 -8.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 8.629 -7.329 -10.396 1.00 0.00 H new ATOM 0 HH2 TRP A 4 11.055 -6.837 -10.285 1.00 0.00 H new ATOM 83 N VAL A 5 4.018 -5.543 -4.689 1.00 0.00 N ATOM 84 CA VAL A 5 2.633 -5.765 -4.184 1.00 0.00 C ATOM 85 C VAL A 5 2.162 -7.170 -4.571 1.00 0.00 C ATOM 86 O VAL A 5 2.431 -7.650 -5.654 1.00 0.00 O ATOM 87 CB VAL A 5 1.691 -4.724 -4.791 1.00 0.00 C ATOM 88 CG1 VAL A 5 2.014 -3.347 -4.210 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.874 -4.689 -6.308 1.00 0.00 C ATOM 0 H VAL A 5 4.096 -4.916 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 5 2.627 -5.668 -3.098 1.00 0.00 H new ATOM 0 HB VAL A 5 0.660 -4.988 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.344 -2.604 -4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.883 -3.369 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.046 -3.085 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.202 -3.947 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.905 -4.425 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.646 -5.670 -6.725 1.00 0.00 H new ATOM 99 N LYS A 6 1.458 -7.832 -3.685 1.00 0.00 N ATOM 100 CA LYS A 6 0.954 -9.211 -3.978 1.00 0.00 C ATOM 101 C LYS A 6 -0.557 -9.155 -4.209 1.00 0.00 C ATOM 102 O LYS A 6 -1.101 -9.889 -5.010 1.00 0.00 O ATOM 103 CB LYS A 6 1.249 -10.121 -2.784 1.00 0.00 C ATOM 104 CG LYS A 6 0.966 -11.575 -3.165 1.00 0.00 C ATOM 105 CD LYS A 6 1.126 -12.468 -1.933 1.00 0.00 C ATOM 106 CE LYS A 6 0.901 -13.929 -2.328 1.00 0.00 C ATOM 107 NZ LYS A 6 -0.515 -14.115 -2.753 1.00 0.00 N ATOM 0 H LYS A 6 1.209 -7.473 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 6 1.448 -9.602 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.289 -10.011 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.634 -9.831 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.044 -11.667 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.650 -11.896 -3.951 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.122 -12.344 -1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.413 -12.174 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.575 -14.206 -3.139 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.129 -14.584 -1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.755 -15.127 -2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -1.142 -13.594 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.637 -13.754 -3.721 1.00 0.00 H new ATOM 121 N LYS A 7 -1.239 -8.288 -3.510 1.00 0.00 N ATOM 122 CA LYS A 7 -2.716 -8.173 -3.681 1.00 0.00 C ATOM 123 C LYS A 7 -3.155 -6.757 -3.304 1.00 0.00 C ATOM 124 O LYS A 7 -2.413 -6.013 -2.693 1.00 0.00 O ATOM 125 CB LYS A 7 -3.412 -9.189 -2.768 1.00 0.00 C ATOM 126 CG LYS A 7 -4.870 -9.362 -3.203 1.00 0.00 C ATOM 127 CD LYS A 7 -5.514 -10.486 -2.389 1.00 0.00 C ATOM 128 CE LYS A 7 -6.947 -10.712 -2.874 1.00 0.00 C ATOM 129 NZ LYS A 7 -7.574 -11.804 -2.078 1.00 0.00 N ATOM 0 H LYS A 7 -0.834 -7.651 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.986 -8.374 -4.718 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.893 -10.147 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.369 -8.851 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.418 -8.431 -3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.918 -9.595 -4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.935 -11.403 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.514 -10.228 -1.330 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.526 -9.794 -2.772 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -6.947 -10.973 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.548 -11.958 -2.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.026 -12.680 -2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.586 -11.538 -1.073 1.00 0.00 H new ATOM 143 N VAL A 8 -4.349 -6.372 -3.665 1.00 0.00 N ATOM 144 CA VAL A 8 -4.818 -4.999 -3.324 1.00 0.00 C ATOM 145 C VAL A 8 -6.346 -4.941 -3.392 1.00 0.00 C ATOM 146 O VAL A 8 -6.978 -5.691 -4.108 1.00 0.00 O ATOM 147 CB VAL A 8 -4.222 -3.996 -4.318 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.486 -4.476 -5.747 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.862 -2.616 -4.112 1.00 0.00 C ATOM 0 H VAL A 8 -5.017 -6.946 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.495 -4.748 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.147 -3.920 -4.152 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.062 -3.763 -6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.023 -5.452 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.561 -4.555 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.435 -1.907 -4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.938 -2.686 -4.273 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.669 -2.273 -3.095 1.00 0.00 H new ATOM 159 N GLN A 9 -6.939 -4.043 -2.645 1.00 0.00 N ATOM 160 CA GLN A 9 -8.430 -3.903 -2.645 1.00 0.00 C ATOM 161 C GLN A 9 -8.793 -2.421 -2.758 1.00 0.00 C ATOM 162 O GLN A 9 -8.290 -1.593 -2.024 1.00 0.00 O ATOM 163 CB GLN A 9 -8.994 -4.468 -1.340 1.00 0.00 C ATOM 164 CG GLN A 9 -8.382 -5.844 -1.071 1.00 0.00 C ATOM 165 CD GLN A 9 -9.159 -6.539 0.048 1.00 0.00 C ATOM 166 OE1 GLN A 9 -8.589 -6.936 1.045 1.00 0.00 O ATOM 167 NE2 GLN A 9 -10.448 -6.704 -0.073 1.00 0.00 N ATOM 0 H GLN A 9 -6.450 -3.394 -2.029 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.852 -4.450 -3.488 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.773 -3.792 -0.514 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.079 -4.548 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.409 -6.449 -1.977 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.334 -5.739 -0.789 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.928 -6.371 -0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.975 -7.165 0.669 1.00 0.00 H new ATOM 176 N ASP A 10 -9.655 -2.077 -3.674 1.00 0.00 N ATOM 177 CA ASP A 10 -10.044 -0.647 -3.836 1.00 0.00 C ATOM 178 C ASP A 10 -10.570 -0.102 -2.507 1.00 0.00 C ATOM 179 O ASP A 10 -10.750 -0.832 -1.553 1.00 0.00 O ATOM 180 CB ASP A 10 -11.134 -0.531 -4.902 1.00 0.00 C ATOM 181 CG ASP A 10 -12.308 -1.438 -4.534 1.00 0.00 C ATOM 182 OD1 ASP A 10 -12.208 -2.631 -4.771 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.290 -0.926 -4.022 1.00 0.00 O ATOM 0 H ASP A 10 -10.108 -2.725 -4.319 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.172 -0.069 -4.143 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.471 0.503 -4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.735 -0.812 -5.877 1.00 0.00 H new ATOM 188 N ASN A 11 -10.817 1.178 -2.438 1.00 0.00 N ATOM 189 CA ASN A 11 -11.331 1.774 -1.173 1.00 0.00 C ATOM 190 C ASN A 11 -12.822 1.468 -1.038 1.00 0.00 C ATOM 191 O ASN A 11 -13.654 2.352 -1.081 1.00 0.00 O ATOM 192 CB ASN A 11 -11.123 3.290 -1.201 1.00 0.00 C ATOM 193 CG ASN A 11 -11.923 3.895 -2.355 1.00 0.00 C ATOM 194 OD1 ASN A 11 -11.936 3.362 -3.447 1.00 0.00 O ATOM 195 ND2 ASN A 11 -12.599 4.994 -2.158 1.00 0.00 N ATOM 0 H ASN A 11 -10.685 1.837 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.793 1.349 -0.326 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.441 3.729 -0.255 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -10.064 3.520 -1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -13.138 5.405 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -12.589 5.442 -1.242 1.00 0.00 H new ATOM 202 N ALA A 12 -13.165 0.222 -0.876 1.00 0.00 N ATOM 203 CA ALA A 12 -14.602 -0.143 -0.740 1.00 0.00 C ATOM 204 C ALA A 12 -15.112 0.290 0.636 1.00 0.00 C ATOM 205 O ALA A 12 -16.291 0.214 0.922 1.00 0.00 O ATOM 206 CB ALA A 12 -14.754 -1.658 -0.890 1.00 0.00 C ATOM 0 H ALA A 12 -12.512 -0.560 -0.832 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.182 0.360 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -15.805 -1.930 -0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.391 -1.965 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.175 -2.160 -0.115 1.00 0.00 H new ATOM 212 N SER A 13 -14.236 0.745 1.490 1.00 0.00 N ATOM 213 CA SER A 13 -14.674 1.183 2.847 1.00 0.00 C ATOM 214 C SER A 13 -15.214 2.613 2.769 1.00 0.00 C ATOM 215 O SER A 13 -16.261 2.920 3.303 1.00 0.00 O ATOM 216 CB SER A 13 -13.480 1.143 3.804 1.00 0.00 C ATOM 217 OG SER A 13 -13.952 1.206 5.144 1.00 0.00 O ATOM 0 H SER A 13 -13.236 0.833 1.307 1.00 0.00 H new ATOM 0 HA SER A 13 -15.456 0.516 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.906 0.229 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.809 1.978 3.603 1.00 0.00 H new ATOM 0 HG SER A 13 -13.191 1.179 5.761 1.00 0.00 H new ATOM 223 N ALA A 14 -14.506 3.486 2.104 1.00 0.00 N ATOM 224 CA ALA A 14 -14.963 4.900 1.981 1.00 0.00 C ATOM 225 C ALA A 14 -13.822 5.735 1.389 1.00 0.00 C ATOM 226 O ALA A 14 -14.030 6.577 0.538 1.00 0.00 O ATOM 227 CB ALA A 14 -15.345 5.445 3.369 1.00 0.00 C ATOM 0 H ALA A 14 -13.623 3.278 1.637 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.836 4.954 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.678 6.478 3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -16.150 4.841 3.788 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.478 5.402 4.028 1.00 0.00 H new ATOM 233 N SER A 15 -12.618 5.501 1.834 1.00 0.00 N ATOM 234 CA SER A 15 -11.459 6.272 1.304 1.00 0.00 C ATOM 235 C SER A 15 -10.161 5.623 1.782 1.00 0.00 C ATOM 236 O SER A 15 -9.171 6.288 2.011 1.00 0.00 O ATOM 237 CB SER A 15 -11.528 7.713 1.813 1.00 0.00 C ATOM 238 OG SER A 15 -12.635 8.371 1.211 1.00 0.00 O ATOM 0 H SER A 15 -12.387 4.806 2.544 1.00 0.00 H new ATOM 0 HA SER A 15 -11.488 6.272 0.214 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.630 7.723 2.898 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.604 8.240 1.575 1.00 0.00 H new ATOM 0 HG SER A 15 -13.051 7.776 0.553 1.00 0.00 H new ATOM 244 N LEU A 16 -10.162 4.322 1.940 1.00 0.00 N ATOM 245 CA LEU A 16 -8.932 3.610 2.409 1.00 0.00 C ATOM 246 C LEU A 16 -8.760 2.317 1.612 1.00 0.00 C ATOM 247 O LEU A 16 -9.580 1.423 1.680 1.00 0.00 O ATOM 248 CB LEU A 16 -9.080 3.259 3.895 1.00 0.00 C ATOM 249 CG LEU A 16 -8.954 4.526 4.765 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.634 4.289 6.117 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.476 4.865 5.007 1.00 0.00 C ATOM 0 H LEU A 16 -10.966 3.720 1.763 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.065 4.255 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.047 2.786 4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.316 2.536 4.182 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.433 5.354 4.243 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.544 5.185 6.731 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.688 4.061 5.959 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.154 3.452 6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.404 5.762 5.623 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.991 4.034 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.982 5.041 4.051 1.00 0.00 H new ATOM 263 N CYS A 17 -7.691 2.201 0.865 1.00 0.00 N ATOM 264 CA CYS A 17 -7.453 0.958 0.073 1.00 0.00 C ATOM 265 C CYS A 17 -6.484 0.072 0.850 1.00 0.00 C ATOM 266 O CYS A 17 -5.657 0.559 1.590 1.00 0.00 O ATOM 267 CB CYS A 17 -6.838 1.325 -1.280 1.00 0.00 C ATOM 268 SG CYS A 17 -8.127 1.968 -2.376 1.00 0.00 S ATOM 0 H CYS A 17 -6.971 2.917 0.770 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.393 0.432 -0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.055 2.071 -1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.369 0.449 -1.728 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.804 1.730 -3.612 1.00 0.00 H new ATOM 274 N ARG A 18 -6.576 -1.223 0.694 1.00 0.00 N ATOM 275 CA ARG A 18 -5.651 -2.143 1.428 1.00 0.00 C ATOM 276 C ARG A 18 -4.633 -2.717 0.446 1.00 0.00 C ATOM 277 O ARG A 18 -4.946 -2.979 -0.699 1.00 0.00 O ATOM 278 CB ARG A 18 -6.458 -3.285 2.050 1.00 0.00 C ATOM 279 CG ARG A 18 -7.467 -2.712 3.047 1.00 0.00 C ATOM 280 CD ARG A 18 -8.088 -3.851 3.857 1.00 0.00 C ATOM 281 NE ARG A 18 -9.209 -3.319 4.684 1.00 0.00 N ATOM 282 CZ ARG A 18 -9.787 -4.085 5.569 1.00 0.00 C ATOM 283 NH1 ARG A 18 -9.384 -5.315 5.730 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.767 -3.620 6.293 1.00 0.00 N ATOM 0 H ARG A 18 -7.253 -1.686 0.088 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.134 -1.594 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.977 -3.844 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.790 -3.984 2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.974 -2.005 3.714 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.245 -2.162 2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.453 -4.630 3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.334 -4.309 4.498 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.524 -2.357 4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.617 -5.679 5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.836 -5.913 6.422 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.082 -2.658 6.168 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.219 -4.218 6.985 1.00 0.00 H new ATOM 298 N VAL A 19 -3.412 -2.908 0.879 1.00 0.00 N ATOM 299 CA VAL A 19 -2.367 -3.460 -0.039 1.00 0.00 C ATOM 300 C VAL A 19 -1.459 -4.432 0.712 1.00 0.00 C ATOM 301 O VAL A 19 -0.998 -4.154 1.801 1.00 0.00 O ATOM 302 CB VAL A 19 -1.514 -2.313 -0.592 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.422 -1.235 -1.184 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.671 -1.705 0.533 1.00 0.00 C ATOM 0 H VAL A 19 -3.093 -2.706 1.827 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.863 -3.987 -0.854 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.855 -2.701 -1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.812 -0.421 -1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.018 -1.663 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.084 -0.851 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.066 -0.890 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.328 -1.322 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.018 -2.470 0.952 1.00 0.00 H new ATOM 314 N VAL A 20 -1.176 -5.561 0.119 1.00 0.00 N ATOM 315 CA VAL A 20 -0.270 -6.554 0.767 1.00 0.00 C ATOM 316 C VAL A 20 1.114 -6.417 0.130 1.00 0.00 C ATOM 317 O VAL A 20 1.293 -6.679 -1.044 1.00 0.00 O ATOM 318 CB VAL A 20 -0.803 -7.969 0.536 1.00 0.00 C ATOM 319 CG1 VAL A 20 -0.081 -8.945 1.467 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.304 -8.000 0.834 1.00 0.00 C ATOM 0 H VAL A 20 -1.536 -5.840 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.216 -6.372 1.840 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.629 -8.259 -0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.461 -9.953 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.989 -8.922 1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.256 -8.656 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.687 -9.007 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.475 -7.711 1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.821 -7.304 0.173 1.00 0.00 H new ATOM 330 N LEU A 21 2.093 -5.987 0.881 1.00 0.00 N ATOM 331 CA LEU A 21 3.462 -5.808 0.303 1.00 0.00 C ATOM 332 C LEU A 21 4.315 -7.047 0.580 1.00 0.00 C ATOM 333 O LEU A 21 4.472 -7.472 1.707 1.00 0.00 O ATOM 334 CB LEU A 21 4.126 -4.590 0.947 1.00 0.00 C ATOM 335 CG LEU A 21 3.134 -3.425 0.988 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.850 -2.169 1.488 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.576 -3.174 -0.418 1.00 0.00 C ATOM 0 H LEU A 21 2.006 -5.751 1.870 1.00 0.00 H new ATOM 0 HA LEU A 21 3.378 -5.663 -0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.457 -4.835 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.013 -4.305 0.381 1.00 0.00 H new ATOM 0 HG LEU A 21 2.313 -3.669 1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.147 -1.337 1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.243 -2.348 2.489 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.671 -1.925 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.870 -2.344 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.394 -2.929 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.067 -4.070 -0.773 1.00 0.00 H new ATOM 349 N GLN A 22 4.873 -7.626 -0.456 1.00 0.00 N ATOM 350 CA GLN A 22 5.727 -8.841 -0.286 1.00 0.00 C ATOM 351 C GLN A 22 7.201 -8.439 -0.367 1.00 0.00 C ATOM 352 O GLN A 22 7.558 -7.481 -1.026 1.00 0.00 O ATOM 353 CB GLN A 22 5.412 -9.840 -1.401 1.00 0.00 C ATOM 354 CG GLN A 22 6.370 -11.030 -1.308 1.00 0.00 C ATOM 355 CD GLN A 22 5.868 -12.161 -2.206 1.00 0.00 C ATOM 356 OE1 GLN A 22 4.689 -12.456 -2.231 1.00 0.00 O ATOM 357 NE2 GLN A 22 6.718 -12.814 -2.951 1.00 0.00 N ATOM 0 H GLN A 22 4.772 -7.305 -1.419 1.00 0.00 H new ATOM 0 HA GLN A 22 5.526 -9.298 0.683 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.381 -10.183 -1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.508 -9.357 -2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.372 -10.728 -1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.440 -11.374 -0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.708 -12.568 -2.931 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.393 -13.570 -3.553 1.00 0.00 H new ATOM 366 N SER A 23 8.061 -9.167 0.297 1.00 0.00 N ATOM 367 CA SER A 23 9.519 -8.835 0.265 1.00 0.00 C ATOM 368 C SER A 23 10.338 -10.127 0.258 1.00 0.00 C ATOM 369 O SER A 23 10.574 -10.730 1.285 1.00 0.00 O ATOM 370 CB SER A 23 9.880 -8.013 1.504 1.00 0.00 C ATOM 371 OG SER A 23 11.239 -7.608 1.420 1.00 0.00 O ATOM 0 H SER A 23 7.817 -9.980 0.862 1.00 0.00 H new ATOM 0 HA SER A 23 9.740 -8.259 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.232 -7.139 1.576 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.720 -8.604 2.406 1.00 0.00 H new ATOM 0 HG SER A 23 11.472 -7.080 2.212 1.00 0.00 H new ATOM 377 N GLY A 24 10.774 -10.556 -0.896 1.00 0.00 N ATOM 378 CA GLY A 24 11.579 -11.808 -0.971 1.00 0.00 C ATOM 379 C GLY A 24 10.675 -13.016 -0.725 1.00 0.00 C ATOM 380 O GLY A 24 10.563 -13.899 -1.551 1.00 0.00 O ATOM 0 H GLY A 24 10.607 -10.093 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.053 -11.889 -1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.379 -11.783 -0.231 1.00 0.00 H new ATOM 384 N ALA A 25 10.027 -13.062 0.407 1.00 0.00 N ATOM 385 CA ALA A 25 9.131 -14.214 0.707 1.00 0.00 C ATOM 386 C ALA A 25 8.145 -13.819 1.809 1.00 0.00 C ATOM 387 O ALA A 25 7.010 -14.254 1.824 1.00 0.00 O ATOM 388 CB ALA A 25 9.970 -15.405 1.177 1.00 0.00 C ATOM 0 H ALA A 25 10.080 -12.351 1.137 1.00 0.00 H new ATOM 0 HA ALA A 25 8.581 -14.490 -0.192 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.315 -16.248 1.397 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.673 -15.687 0.393 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.521 -15.130 2.077 1.00 0.00 H new ATOM 394 N LEU A 26 8.566 -12.996 2.731 1.00 0.00 N ATOM 395 CA LEU A 26 7.651 -12.575 3.828 1.00 0.00 C ATOM 396 C LEU A 26 6.496 -11.763 3.239 1.00 0.00 C ATOM 397 O LEU A 26 6.497 -11.425 2.072 1.00 0.00 O ATOM 398 CB LEU A 26 8.421 -11.716 4.835 1.00 0.00 C ATOM 399 CG LEU A 26 9.779 -12.358 5.129 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.481 -11.577 6.243 1.00 0.00 C ATOM 401 CD2 LEU A 26 9.576 -13.810 5.575 1.00 0.00 C ATOM 0 H LEU A 26 9.504 -12.598 2.771 1.00 0.00 H new ATOM 0 HA LEU A 26 7.256 -13.456 4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.562 -10.711 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.848 -11.617 5.757 1.00 0.00 H new ATOM 0 HG LEU A 26 10.391 -12.338 4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.448 -12.033 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.628 -10.544 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.867 -11.597 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.544 -14.265 5.784 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.963 -13.832 6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.076 -14.367 4.783 1.00 0.00 H new ATOM 413 N GLU A 27 5.508 -11.448 4.038 1.00 0.00 N ATOM 414 CA GLU A 27 4.343 -10.656 3.532 1.00 0.00 C ATOM 415 C GLU A 27 3.935 -9.624 4.585 1.00 0.00 C ATOM 416 O GLU A 27 4.148 -9.811 5.765 1.00 0.00 O ATOM 417 CB GLU A 27 3.167 -11.598 3.258 1.00 0.00 C ATOM 418 CG GLU A 27 3.665 -12.833 2.506 1.00 0.00 C ATOM 419 CD GLU A 27 2.470 -13.670 2.049 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.557 -13.100 1.475 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.487 -14.868 2.282 1.00 0.00 O ATOM 0 H GLU A 27 5.457 -11.706 5.024 1.00 0.00 H new ATOM 0 HA GLU A 27 4.622 -10.145 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.699 -11.895 4.197 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.406 -11.085 2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.261 -12.531 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.313 -13.427 3.150 1.00 0.00 H new ATOM 428 N MET A 28 3.348 -8.533 4.164 1.00 0.00 N ATOM 429 CA MET A 28 2.924 -7.482 5.137 1.00 0.00 C ATOM 430 C MET A 28 1.635 -6.825 4.643 1.00 0.00 C ATOM 431 O MET A 28 1.473 -6.565 3.468 1.00 0.00 O ATOM 432 CB MET A 28 4.023 -6.424 5.253 1.00 0.00 C ATOM 433 CG MET A 28 5.277 -7.054 5.863 1.00 0.00 C ATOM 434 SD MET A 28 6.478 -5.755 6.248 1.00 0.00 S ATOM 435 CE MET A 28 7.945 -6.814 6.308 1.00 0.00 C ATOM 0 H MET A 28 3.144 -8.325 3.187 1.00 0.00 H new ATOM 0 HA MET A 28 2.751 -7.936 6.113 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.251 -6.013 4.270 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.681 -5.596 5.873 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.018 -7.604 6.768 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.712 -7.772 5.167 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.822 -6.208 6.536 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.816 -7.571 7.082 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.082 -7.301 5.343 1.00 0.00 H new ATOM 445 N ILE A 29 0.721 -6.547 5.540 1.00 0.00 N ATOM 446 CA ILE A 29 -0.568 -5.894 5.148 1.00 0.00 C ATOM 447 C ILE A 29 -0.558 -4.461 5.669 1.00 0.00 C ATOM 448 O ILE A 29 -0.070 -4.195 6.749 1.00 0.00 O ATOM 449 CB ILE A 29 -1.739 -6.658 5.775 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.837 -8.046 5.139 1.00 0.00 C ATOM 451 CG2 ILE A 29 -3.040 -5.891 5.528 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.819 -8.908 5.933 1.00 0.00 C ATOM 0 H ILE A 29 0.813 -6.746 6.536 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.679 -5.899 4.064 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.576 -6.759 6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.168 -7.960 4.104 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.855 -8.519 5.121 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.873 -6.434 5.974 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.970 -4.901 5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.205 -5.791 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.887 -9.896 5.477 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.469 -9.005 6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.802 -8.438 5.928 1.00 0.00 H new ATOM 464 N ALA A 30 -1.076 -3.525 4.917 1.00 0.00 N ATOM 465 CA ALA A 30 -1.065 -2.110 5.394 1.00 0.00 C ATOM 466 C ALA A 30 -2.288 -1.354 4.877 1.00 0.00 C ATOM 467 O ALA A 30 -2.732 -1.551 3.764 1.00 0.00 O ATOM 468 CB ALA A 30 0.210 -1.427 4.892 1.00 0.00 C ATOM 0 H ALA A 30 -1.502 -3.676 4.003 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.093 -2.103 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.228 -0.393 5.235 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.082 -1.953 5.281 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.229 -1.448 3.802 1.00 0.00 H new ATOM 474 N GLU A 31 -2.822 -0.471 5.681 1.00 0.00 N ATOM 475 CA GLU A 31 -4.004 0.328 5.245 1.00 0.00 C ATOM 476 C GLU A 31 -3.496 1.548 4.473 1.00 0.00 C ATOM 477 O GLU A 31 -2.670 2.298 4.954 1.00 0.00 O ATOM 478 CB GLU A 31 -4.804 0.779 6.476 1.00 0.00 C ATOM 479 CG GLU A 31 -5.774 -0.328 6.904 1.00 0.00 C ATOM 480 CD GLU A 31 -6.259 -0.062 8.331 1.00 0.00 C ATOM 481 OE1 GLU A 31 -6.599 1.075 8.618 1.00 0.00 O ATOM 482 OE2 GLU A 31 -6.282 -0.999 9.112 1.00 0.00 O ATOM 0 H GLU A 31 -2.488 -0.269 6.624 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.655 -0.271 4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.125 1.016 7.295 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.357 1.690 6.247 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.623 -0.365 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.280 -1.298 6.852 1.00 0.00 H new ATOM 489 N ILE A 32 -3.969 1.733 3.268 1.00 0.00 N ATOM 490 CA ILE A 32 -3.510 2.882 2.423 1.00 0.00 C ATOM 491 C ILE A 32 -4.654 3.888 2.243 1.00 0.00 C ATOM 492 O ILE A 32 -5.814 3.531 2.188 1.00 0.00 O ATOM 493 CB ILE A 32 -3.057 2.317 1.055 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.581 1.892 1.123 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.220 3.361 -0.056 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.327 1.019 2.358 1.00 0.00 C ATOM 0 H ILE A 32 -4.663 1.130 2.826 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.680 3.402 2.901 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.685 1.456 0.827 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.313 1.342 0.221 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.944 2.776 1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.894 2.936 -1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.268 3.653 -0.130 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.615 4.237 0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.277 0.728 2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.574 1.582 3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.949 0.126 2.306 1.00 0.00 H new ATOM 508 N GLU A 33 -4.311 5.148 2.139 1.00 0.00 N ATOM 509 CA GLU A 33 -5.335 6.222 1.945 1.00 0.00 C ATOM 510 C GLU A 33 -5.048 6.938 0.622 1.00 0.00 C ATOM 511 O GLU A 33 -4.104 7.696 0.513 1.00 0.00 O ATOM 512 CB GLU A 33 -5.230 7.225 3.096 1.00 0.00 C ATOM 513 CG GLU A 33 -6.479 8.110 3.123 1.00 0.00 C ATOM 514 CD GLU A 33 -6.331 9.170 4.215 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.203 9.486 4.558 1.00 0.00 O ATOM 516 OE2 GLU A 33 -7.348 9.648 4.691 1.00 0.00 O ATOM 0 H GLU A 33 -3.349 5.483 2.181 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.336 5.791 1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.126 6.697 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.339 7.841 2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.619 8.589 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.364 7.502 3.309 1.00 0.00 H new ATOM 523 N ALA A 34 -5.843 6.702 -0.388 1.00 0.00 N ATOM 524 CA ALA A 34 -5.599 7.368 -1.704 1.00 0.00 C ATOM 525 C ALA A 34 -6.929 7.642 -2.405 1.00 0.00 C ATOM 526 O ALA A 34 -7.987 7.304 -1.914 1.00 0.00 O ATOM 527 CB ALA A 34 -4.747 6.452 -2.586 1.00 0.00 C ATOM 0 H ALA A 34 -6.650 6.078 -0.360 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.079 8.311 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.568 6.935 -3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.794 6.257 -2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.272 5.510 -2.746 1.00 0.00 H new ATOM 533 N CYS A 35 -6.874 8.250 -3.562 1.00 0.00 N ATOM 534 CA CYS A 35 -8.119 8.555 -4.330 1.00 0.00 C ATOM 535 C CYS A 35 -7.876 8.231 -5.804 1.00 0.00 C ATOM 536 O CYS A 35 -8.790 8.190 -6.603 1.00 0.00 O ATOM 537 CB CYS A 35 -8.459 10.039 -4.184 1.00 0.00 C ATOM 538 SG CYS A 35 -9.086 10.354 -2.516 1.00 0.00 S ATOM 0 H CYS A 35 -6.010 8.552 -4.012 1.00 0.00 H new ATOM 0 HA CYS A 35 -8.948 7.959 -3.948 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.573 10.646 -4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -9.205 10.327 -4.925 1.00 0.00 H new ATOM 0 HG CYS A 35 -8.951 9.283 -1.792 1.00 0.00 H new ATOM 544 N ARG A 36 -6.644 7.995 -6.166 1.00 0.00 N ATOM 545 CA ARG A 36 -6.329 7.666 -7.584 1.00 0.00 C ATOM 546 C ARG A 36 -6.916 6.294 -7.917 1.00 0.00 C ATOM 547 O ARG A 36 -7.453 6.078 -8.984 1.00 0.00 O ATOM 548 CB ARG A 36 -4.809 7.623 -7.773 1.00 0.00 C ATOM 549 CG ARG A 36 -4.196 8.961 -7.348 1.00 0.00 C ATOM 550 CD ARG A 36 -2.689 8.791 -7.146 1.00 0.00 C ATOM 551 NE ARG A 36 -2.438 8.083 -5.857 1.00 0.00 N ATOM 552 CZ ARG A 36 -2.488 8.741 -4.731 1.00 0.00 C ATOM 553 NH1 ARG A 36 -2.755 10.019 -4.733 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.272 8.121 -3.604 1.00 0.00 N ATOM 0 H ARG A 36 -5.840 8.016 -5.538 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.756 8.424 -8.241 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.382 6.813 -7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.569 7.417 -8.816 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.389 9.719 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.660 9.309 -6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.262 8.225 -7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.200 9.765 -7.140 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.227 7.085 -5.856 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.925 10.503 -5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.794 10.533 -3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.064 7.122 -3.603 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.311 8.635 -2.724 1.00 0.00 H new ATOM 568 N LEU A 37 -6.816 5.366 -7.004 1.00 0.00 N ATOM 569 CA LEU A 37 -7.364 4.005 -7.251 1.00 0.00 C ATOM 570 C LEU A 37 -6.943 3.526 -8.643 1.00 0.00 C ATOM 571 O LEU A 37 -7.763 3.340 -9.521 1.00 0.00 O ATOM 572 CB LEU A 37 -8.889 4.054 -7.162 1.00 0.00 C ATOM 573 CG LEU A 37 -9.309 4.871 -5.937 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.827 4.786 -5.766 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.621 4.316 -4.685 1.00 0.00 C ATOM 0 H LEU A 37 -6.375 5.495 -6.093 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.977 3.313 -6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.301 4.500 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.291 3.043 -7.092 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.015 5.911 -6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.128 5.367 -4.894 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.316 5.185 -6.655 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.120 3.745 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.922 4.900 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.911 3.275 -4.542 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.540 4.378 -4.807 1.00 0.00 H new ATOM 587 N ARG A 38 -5.667 3.328 -8.852 1.00 0.00 N ATOM 588 CA ARG A 38 -5.185 2.862 -10.189 1.00 0.00 C ATOM 589 C ARG A 38 -3.998 1.916 -10.001 1.00 0.00 C ATOM 590 O ARG A 38 -3.240 1.666 -10.918 1.00 0.00 O ATOM 591 CB ARG A 38 -4.746 4.070 -11.019 1.00 0.00 C ATOM 592 CG ARG A 38 -3.692 4.867 -10.247 1.00 0.00 C ATOM 593 CD ARG A 38 -3.291 6.101 -11.055 1.00 0.00 C ATOM 594 NE ARG A 38 -4.508 6.890 -11.394 1.00 0.00 N ATOM 595 CZ ARG A 38 -4.450 7.818 -12.310 1.00 0.00 C ATOM 596 NH1 ARG A 38 -3.326 8.054 -12.930 1.00 0.00 N ATOM 597 NH2 ARG A 38 -5.516 8.511 -12.606 1.00 0.00 N ATOM 0 H ARG A 38 -4.936 3.469 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.990 2.338 -10.704 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.339 3.739 -11.974 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.605 4.703 -11.241 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.087 5.168 -9.277 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.818 4.244 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.595 6.714 -10.482 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.774 5.800 -11.966 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.387 6.705 -10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.493 7.513 -12.699 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.281 8.779 -13.646 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.395 8.327 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.470 9.236 -13.322 1.00 0.00 H new ATOM 611 N LEU A 39 -3.829 1.387 -8.821 1.00 0.00 N ATOM 612 CA LEU A 39 -2.691 0.455 -8.576 1.00 0.00 C ATOM 613 C LEU A 39 -3.065 -0.942 -9.079 1.00 0.00 C ATOM 614 O LEU A 39 -4.214 -1.225 -9.357 1.00 0.00 O ATOM 615 CB LEU A 39 -2.393 0.397 -7.072 1.00 0.00 C ATOM 616 CG LEU A 39 -1.605 1.642 -6.652 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.354 2.901 -7.097 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.448 1.650 -5.130 1.00 0.00 C ATOM 0 H LEU A 39 -4.430 1.559 -8.015 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.807 0.809 -9.106 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.325 0.338 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.822 -0.502 -6.839 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.621 1.626 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.791 3.785 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.466 2.893 -8.181 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.339 2.923 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.888 2.534 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.433 1.666 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.912 0.755 -4.815 1.00 0.00 H new ATOM 630 N ARG A 40 -2.104 -1.818 -9.197 1.00 0.00 N ATOM 631 CA ARG A 40 -2.402 -3.198 -9.682 1.00 0.00 C ATOM 632 C ARG A 40 -1.373 -4.171 -9.103 1.00 0.00 C ATOM 633 O ARG A 40 -0.406 -3.774 -8.486 1.00 0.00 O ATOM 634 CB ARG A 40 -2.328 -3.234 -11.210 1.00 0.00 C ATOM 635 CG ARG A 40 -3.499 -2.446 -11.803 1.00 0.00 C ATOM 636 CD ARG A 40 -3.607 -2.747 -13.298 1.00 0.00 C ATOM 637 NE ARG A 40 -4.575 -1.805 -13.927 1.00 0.00 N ATOM 638 CZ ARG A 40 -5.078 -2.074 -15.100 1.00 0.00 C ATOM 639 NH1 ARG A 40 -4.732 -3.166 -15.724 1.00 0.00 N ATOM 640 NH2 ARG A 40 -5.928 -1.250 -15.650 1.00 0.00 N ATOM 0 H ARG A 40 -1.124 -1.638 -8.978 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.403 -3.486 -9.361 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.383 -2.809 -11.548 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.357 -4.266 -11.561 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.427 -2.716 -11.298 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.350 -1.378 -11.646 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.630 -2.650 -13.771 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.934 -3.776 -13.450 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.844 -0.950 -13.440 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.068 -3.810 -15.295 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.126 -3.376 -16.641 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.199 -0.396 -15.162 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.321 -1.460 -16.567 1.00 0.00 H new ATOM 654 N GLU A 41 -1.575 -5.444 -9.300 1.00 0.00 N ATOM 655 CA GLU A 41 -0.612 -6.444 -8.763 1.00 0.00 C ATOM 656 C GLU A 41 0.696 -6.374 -9.554 1.00 0.00 C ATOM 657 O GLU A 41 0.710 -6.036 -10.722 1.00 0.00 O ATOM 658 CB GLU A 41 -1.213 -7.846 -8.893 1.00 0.00 C ATOM 659 CG GLU A 41 -2.296 -8.040 -7.830 1.00 0.00 C ATOM 660 CD GLU A 41 -2.998 -9.381 -8.055 1.00 0.00 C ATOM 661 OE1 GLU A 41 -2.937 -9.879 -9.166 1.00 0.00 O ATOM 662 OE2 GLU A 41 -3.584 -9.885 -7.111 1.00 0.00 O ATOM 0 H GLU A 41 -2.367 -5.835 -9.811 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.411 -6.228 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.638 -7.980 -9.888 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.434 -8.599 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.853 -8.012 -6.835 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.019 -7.226 -7.880 1.00 0.00 H new ATOM 669 N GLY A 42 1.796 -6.695 -8.929 1.00 0.00 N ATOM 670 CA GLY A 42 3.103 -6.652 -9.644 1.00 0.00 C ATOM 671 C GLY A 42 3.617 -5.213 -9.692 1.00 0.00 C ATOM 672 O GLY A 42 4.549 -4.901 -10.406 1.00 0.00 O ATOM 0 H GLY A 42 1.846 -6.986 -7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.827 -7.290 -9.137 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.988 -7.041 -10.656 1.00 0.00 H new ATOM 676 N ASP A 43 3.021 -4.331 -8.936 1.00 0.00 N ATOM 677 CA ASP A 43 3.482 -2.915 -8.942 1.00 0.00 C ATOM 678 C ASP A 43 4.796 -2.805 -8.164 1.00 0.00 C ATOM 679 O ASP A 43 4.941 -3.352 -7.086 1.00 0.00 O ATOM 680 CB ASP A 43 2.421 -2.025 -8.285 1.00 0.00 C ATOM 681 CG ASP A 43 2.678 -0.562 -8.653 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.797 -0.254 -9.028 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.751 0.225 -8.554 1.00 0.00 O ATOM 0 H ASP A 43 2.236 -4.530 -8.316 1.00 0.00 H new ATOM 0 HA ASP A 43 3.639 -2.589 -9.970 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.426 -2.324 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.448 -2.148 -7.202 1.00 0.00 H new ATOM 688 N LYS A 44 5.756 -2.099 -8.707 1.00 0.00 N ATOM 689 CA LYS A 44 7.069 -1.941 -8.013 1.00 0.00 C ATOM 690 C LYS A 44 7.041 -0.674 -7.155 1.00 0.00 C ATOM 691 O LYS A 44 6.884 0.424 -7.658 1.00 0.00 O ATOM 692 CB LYS A 44 8.182 -1.820 -9.055 1.00 0.00 C ATOM 693 CG LYS A 44 8.115 -3.006 -10.020 1.00 0.00 C ATOM 694 CD LYS A 44 9.127 -2.804 -11.149 1.00 0.00 C ATOM 695 CE LYS A 44 8.959 -3.911 -12.192 1.00 0.00 C ATOM 696 NZ LYS A 44 9.064 -5.240 -11.526 1.00 0.00 N ATOM 0 H LYS A 44 5.685 -1.623 -9.606 1.00 0.00 H new ATOM 0 HA LYS A 44 7.253 -2.809 -7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.078 -0.885 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 44 9.154 -1.794 -8.562 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.328 -3.933 -9.488 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.110 -3.098 -10.431 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.980 -1.828 -11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 44 10.141 -2.818 -10.749 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.993 -3.816 -12.687 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.723 -3.817 -12.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.372 -5.952 -12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.757 -5.187 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.136 -5.510 -11.142 1.00 0.00 H new ATOM 710 N LEU A 45 7.193 -0.822 -5.861 1.00 0.00 N ATOM 711 CA LEU A 45 7.178 0.364 -4.946 1.00 0.00 C ATOM 712 C LEU A 45 8.587 0.609 -4.400 1.00 0.00 C ATOM 713 O LEU A 45 9.312 -0.317 -4.095 1.00 0.00 O ATOM 714 CB LEU A 45 6.229 0.091 -3.775 1.00 0.00 C ATOM 715 CG LEU A 45 4.932 -0.532 -4.293 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.974 -0.758 -3.122 1.00 0.00 C ATOM 717 CD2 LEU A 45 4.282 0.411 -5.310 1.00 0.00 C ATOM 0 H LEU A 45 7.328 -1.720 -5.396 1.00 0.00 H new ATOM 0 HA LEU A 45 6.841 1.241 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.704 -0.579 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.012 1.020 -3.247 1.00 0.00 H new ATOM 0 HG LEU A 45 5.153 -1.486 -4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.049 -1.202 -3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.436 -1.429 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.753 0.196 -2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.358 -0.033 -5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.060 1.365 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.965 0.573 -6.144 1.00 0.00 H new ATOM 729 N THR A 46 8.972 1.854 -4.269 1.00 0.00 N ATOM 730 CA THR A 46 10.333 2.189 -3.733 1.00 0.00 C ATOM 731 C THR A 46 10.182 3.257 -2.641 1.00 0.00 C ATOM 732 O THR A 46 9.240 4.024 -2.653 1.00 0.00 O ATOM 733 CB THR A 46 11.211 2.739 -4.870 1.00 0.00 C ATOM 734 OG1 THR A 46 12.126 3.689 -4.343 1.00 0.00 O ATOM 735 CG2 THR A 46 10.333 3.415 -5.926 1.00 0.00 C ATOM 0 H THR A 46 8.398 2.662 -4.512 1.00 0.00 H new ATOM 0 HA THR A 46 10.801 1.296 -3.319 1.00 0.00 H new ATOM 0 HB THR A 46 11.758 1.916 -5.330 1.00 0.00 H new ATOM 0 HG1 THR A 46 12.687 4.039 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.961 3.802 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 46 9.630 2.689 -6.334 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.781 4.236 -5.469 1.00 0.00 H new ATOM 743 N PRO A 47 11.094 3.312 -1.698 1.00 0.00 N ATOM 744 CA PRO A 47 11.037 4.311 -0.589 1.00 0.00 C ATOM 745 C PRO A 47 11.336 5.734 -1.080 1.00 0.00 C ATOM 746 O PRO A 47 12.351 5.985 -1.700 1.00 0.00 O ATOM 747 CB PRO A 47 12.118 3.826 0.389 1.00 0.00 C ATOM 748 CG PRO A 47 13.098 3.088 -0.464 1.00 0.00 C ATOM 749 CD PRO A 47 12.278 2.437 -1.580 1.00 0.00 C ATOM 0 HA PRO A 47 10.046 4.372 -0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.591 4.663 0.903 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.695 3.178 1.157 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.847 3.766 -0.874 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.633 2.336 0.117 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.838 2.392 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.997 1.415 -1.327 1.00 0.00 H new ATOM 757 N LEU A 48 10.462 6.664 -0.805 1.00 0.00 N ATOM 758 CA LEU A 48 10.698 8.065 -1.255 1.00 0.00 C ATOM 759 C LEU A 48 11.680 8.743 -0.295 1.00 0.00 C ATOM 760 O LEU A 48 12.760 9.143 -0.679 1.00 0.00 O ATOM 761 CB LEU A 48 9.366 8.829 -1.267 1.00 0.00 C ATOM 762 CG LEU A 48 9.609 10.330 -1.489 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.529 10.542 -2.697 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.268 11.027 -1.743 1.00 0.00 C ATOM 0 H LEU A 48 9.595 6.514 -0.288 1.00 0.00 H new ATOM 0 HA LEU A 48 11.118 8.065 -2.261 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.723 8.438 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.843 8.675 -0.323 1.00 0.00 H new ATOM 0 HG LEU A 48 10.084 10.750 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.695 11.609 -2.845 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.484 10.048 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.063 10.120 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.436 12.092 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.797 10.599 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.616 10.886 -0.881 1.00 0.00 H new ATOM 776 N ALA A 49 11.313 8.874 0.952 1.00 0.00 N ATOM 777 CA ALA A 49 12.230 9.527 1.928 1.00 0.00 C ATOM 778 C ALA A 49 11.683 9.358 3.348 1.00 0.00 C ATOM 779 O ALA A 49 12.229 8.627 4.150 1.00 0.00 O ATOM 780 CB ALA A 49 12.343 11.018 1.602 1.00 0.00 C ATOM 0 H ALA A 49 10.422 8.558 1.335 1.00 0.00 H new ATOM 0 HA ALA A 49 13.213 9.061 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.014 11.497 2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.738 11.141 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.358 11.480 1.664 1.00 0.00 H new ATOM 786 N ASP A 50 10.613 10.034 3.669 1.00 0.00 N ATOM 787 CA ASP A 50 10.041 9.916 5.041 1.00 0.00 C ATOM 788 C ASP A 50 9.311 8.580 5.189 1.00 0.00 C ATOM 789 O ASP A 50 9.487 7.874 6.161 1.00 0.00 O ATOM 790 CB ASP A 50 9.056 11.064 5.279 1.00 0.00 C ATOM 791 CG ASP A 50 8.615 11.063 6.744 1.00 0.00 C ATOM 792 OD1 ASP A 50 9.383 10.603 7.574 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.517 11.522 7.012 1.00 0.00 O ATOM 0 H ASP A 50 10.111 10.662 3.041 1.00 0.00 H new ATOM 0 HA ASP A 50 10.848 9.965 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.524 12.016 5.030 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.189 10.955 4.627 1.00 0.00 H new ATOM 798 N ALA A 51 8.493 8.227 4.234 1.00 0.00 N ATOM 799 CA ALA A 51 7.753 6.935 4.326 1.00 0.00 C ATOM 800 C ALA A 51 6.903 6.744 3.068 1.00 0.00 C ATOM 801 O ALA A 51 6.645 5.633 2.646 1.00 0.00 O ATOM 802 CB ALA A 51 6.843 6.951 5.559 1.00 0.00 C ATOM 0 H ALA A 51 8.305 8.776 3.395 1.00 0.00 H new ATOM 0 HA ALA A 51 8.466 6.115 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.303 6.006 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.448 7.087 6.456 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.130 7.771 5.475 1.00 0.00 H new ATOM 808 N ARG A 52 6.463 7.815 2.467 1.00 0.00 N ATOM 809 CA ARG A 52 5.628 7.688 1.240 1.00 0.00 C ATOM 810 C ARG A 52 6.305 6.731 0.260 1.00 0.00 C ATOM 811 O ARG A 52 7.512 6.722 0.120 1.00 0.00 O ATOM 812 CB ARG A 52 5.470 9.061 0.583 1.00 0.00 C ATOM 813 CG ARG A 52 4.611 9.966 1.471 1.00 0.00 C ATOM 814 CD ARG A 52 4.167 11.193 0.673 1.00 0.00 C ATOM 815 NE ARG A 52 5.360 12.015 0.323 1.00 0.00 N ATOM 816 CZ ARG A 52 5.205 13.197 -0.209 1.00 0.00 C ATOM 817 NH1 ARG A 52 4.005 13.657 -0.437 1.00 0.00 N ATOM 818 NH2 ARG A 52 6.249 13.917 -0.514 1.00 0.00 N ATOM 0 H ARG A 52 6.645 8.771 2.772 1.00 0.00 H new ATOM 0 HA ARG A 52 4.646 7.300 1.509 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.449 9.514 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.007 8.954 -0.398 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.740 9.419 1.831 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.178 10.276 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.647 10.882 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.463 11.785 1.257 1.00 0.00 H new ATOM 0 HE ARG A 52 6.298 11.654 0.499 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.189 13.093 -0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.883 14.580 -0.853 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.187 13.556 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.128 14.841 -0.930 1.00 0.00 H new ATOM 832 N TYR A 53 5.532 5.924 -0.421 1.00 0.00 N ATOM 833 CA TYR A 53 6.111 4.953 -1.402 1.00 0.00 C ATOM 834 C TYR A 53 5.815 5.438 -2.822 1.00 0.00 C ATOM 835 O TYR A 53 4.712 5.837 -3.130 1.00 0.00 O ATOM 836 CB TYR A 53 5.467 3.579 -1.187 1.00 0.00 C ATOM 837 CG TYR A 53 6.089 2.905 0.014 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.606 3.177 1.299 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.148 2.007 -0.159 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.182 2.552 2.411 1.00 0.00 C ATOM 841 CE2 TYR A 53 7.726 1.381 0.952 1.00 0.00 C ATOM 842 CZ TYR A 53 7.243 1.653 2.237 1.00 0.00 C ATOM 843 OH TYR A 53 7.811 1.038 3.333 1.00 0.00 O ATOM 0 H TYR A 53 4.516 5.895 -0.340 1.00 0.00 H new ATOM 0 HA TYR A 53 7.189 4.878 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.393 3.690 -1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 53 5.603 2.960 -2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.788 3.870 1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.520 1.796 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.809 2.762 3.403 1.00 0.00 H new ATOM 0 HE2 TYR A 53 8.544 0.689 0.817 1.00 0.00 H new ATOM 0 HH TYR A 53 8.533 0.445 3.038 1.00 0.00 H new ATOM 853 N CYS A 54 6.794 5.401 -3.691 1.00 0.00 N ATOM 854 CA CYS A 54 6.581 5.857 -5.102 1.00 0.00 C ATOM 855 C CYS A 54 6.460 4.635 -6.014 1.00 0.00 C ATOM 856 O CYS A 54 7.304 3.761 -6.007 1.00 0.00 O ATOM 857 CB CYS A 54 7.774 6.705 -5.545 1.00 0.00 C ATOM 858 SG CYS A 54 7.668 7.014 -7.325 1.00 0.00 S ATOM 0 H CYS A 54 7.737 5.073 -3.484 1.00 0.00 H new ATOM 0 HA CYS A 54 5.669 6.451 -5.163 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.784 7.650 -5.001 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.706 6.192 -5.309 1.00 0.00 H new ATOM 0 HG CYS A 54 6.420 7.036 -7.688 1.00 0.00 H new ATOM 864 N LEU A 55 5.414 4.565 -6.801 1.00 0.00 N ATOM 865 CA LEU A 55 5.233 3.397 -7.718 1.00 0.00 C ATOM 866 C LEU A 55 5.680 3.783 -9.127 1.00 0.00 C ATOM 867 O LEU A 55 5.550 4.919 -9.538 1.00 0.00 O ATOM 868 CB LEU A 55 3.752 2.984 -7.736 1.00 0.00 C ATOM 869 CG LEU A 55 2.849 4.187 -8.134 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.495 4.128 -9.627 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.546 4.156 -7.321 1.00 0.00 C ATOM 0 H LEU A 55 4.676 5.268 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 55 5.835 2.559 -7.366 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.606 2.165 -8.441 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.461 2.614 -6.753 1.00 0.00 H new ATOM 0 HG LEU A 55 3.399 5.105 -7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.863 4.978 -9.885 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.409 4.163 -10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.961 3.202 -9.838 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.919 5.001 -7.605 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.014 3.226 -7.522 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.779 4.218 -6.258 1.00 0.00 H new ATOM 883 N ASN A 56 6.208 2.847 -9.868 1.00 0.00 N ATOM 884 CA ASN A 56 6.666 3.154 -11.254 1.00 0.00 C ATOM 885 C ASN A 56 7.699 4.283 -11.216 1.00 0.00 C ATOM 886 O ASN A 56 8.059 4.841 -12.232 1.00 0.00 O ATOM 887 CB ASN A 56 5.471 3.577 -12.114 1.00 0.00 C ATOM 888 CG ASN A 56 4.334 2.568 -11.940 1.00 0.00 C ATOM 889 OD1 ASN A 56 4.237 1.914 -10.922 1.00 0.00 O ATOM 890 ND2 ASN A 56 3.464 2.414 -12.900 1.00 0.00 N ATOM 0 H ASN A 56 6.342 1.880 -9.573 1.00 0.00 H new ATOM 0 HA ASN A 56 7.121 2.263 -11.687 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.135 4.573 -11.824 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.765 3.632 -13.162 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.702 1.744 -12.795 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.546 2.964 -13.755 1.00 0.00 H new ATOM 897 N ASN A 57 8.184 4.612 -10.050 1.00 0.00 N ATOM 898 CA ASN A 57 9.205 5.692 -9.931 1.00 0.00 C ATOM 899 C ASN A 57 8.633 7.025 -10.433 1.00 0.00 C ATOM 900 O ASN A 57 9.303 7.773 -11.116 1.00 0.00 O ATOM 901 CB ASN A 57 10.444 5.321 -10.756 1.00 0.00 C ATOM 902 CG ASN A 57 11.641 6.156 -10.294 1.00 0.00 C ATOM 903 OD1 ASN A 57 11.542 6.908 -9.344 1.00 0.00 O ATOM 904 ND2 ASN A 57 12.777 6.054 -10.929 1.00 0.00 N ATOM 0 H ASN A 57 7.915 4.176 -9.168 1.00 0.00 H new ATOM 0 HA ASN A 57 9.482 5.801 -8.882 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.664 4.259 -10.643 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.253 5.496 -11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 57 13.581 6.605 -10.628 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.861 5.423 -11.726 1.00 0.00 H new ATOM 911 N ASN A 58 7.403 7.327 -10.093 1.00 0.00 N ATOM 912 CA ASN A 58 6.774 8.612 -10.534 1.00 0.00 C ATOM 913 C ASN A 58 6.185 9.324 -9.302 1.00 0.00 C ATOM 914 O ASN A 58 5.049 9.089 -8.942 1.00 0.00 O ATOM 915 CB ASN A 58 5.653 8.305 -11.532 1.00 0.00 C ATOM 916 CG ASN A 58 6.127 7.236 -12.519 1.00 0.00 C ATOM 917 OD1 ASN A 58 7.312 7.039 -12.697 1.00 0.00 O ATOM 918 ND2 ASN A 58 5.243 6.537 -13.177 1.00 0.00 N ATOM 0 H ASN A 58 6.802 6.732 -9.523 1.00 0.00 H new ATOM 0 HA ASN A 58 7.518 9.251 -11.009 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.765 7.959 -11.003 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.371 9.211 -12.068 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.547 5.825 -13.841 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.248 6.703 -13.027 1.00 0.00 H new ATOM 925 N PRO A 59 6.949 10.173 -8.646 1.00 0.00 N ATOM 926 CA PRO A 59 6.480 10.903 -7.427 1.00 0.00 C ATOM 927 C PRO A 59 5.071 11.490 -7.588 1.00 0.00 C ATOM 928 O PRO A 59 4.480 11.974 -6.644 1.00 0.00 O ATOM 929 CB PRO A 59 7.522 12.012 -7.256 1.00 0.00 C ATOM 930 CG PRO A 59 8.778 11.432 -7.820 1.00 0.00 C ATOM 931 CD PRO A 59 8.341 10.537 -8.985 1.00 0.00 C ATOM 0 HA PRO A 59 6.399 10.242 -6.564 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.229 12.918 -7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.645 12.283 -6.207 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.452 12.218 -8.162 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.316 10.857 -7.066 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.396 11.064 -9.937 1.00 0.00 H new ATOM 0 HD3 PRO A 59 8.975 9.655 -9.072 1.00 0.00 H new ATOM 939 N THR A 60 4.529 11.444 -8.771 1.00 0.00 N ATOM 940 CA THR A 60 3.159 11.991 -8.989 1.00 0.00 C ATOM 941 C THR A 60 2.130 10.971 -8.492 1.00 0.00 C ATOM 942 O THR A 60 0.973 11.284 -8.294 1.00 0.00 O ATOM 943 CB THR A 60 2.946 12.246 -10.489 1.00 0.00 C ATOM 944 OG1 THR A 60 1.571 12.076 -10.804 1.00 0.00 O ATOM 945 CG2 THR A 60 3.784 11.256 -11.307 1.00 0.00 C ATOM 0 H THR A 60 4.975 11.051 -9.600 1.00 0.00 H new ATOM 0 HA THR A 60 3.042 12.927 -8.443 1.00 0.00 H new ATOM 0 HB THR A 60 3.255 13.263 -10.731 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.052 12.005 -9.976 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.630 11.440 -12.370 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.839 11.386 -11.065 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.480 10.237 -11.068 1.00 0.00 H new ATOM 953 N GLN A 61 2.557 9.749 -8.291 1.00 0.00 N ATOM 954 CA GLN A 61 1.638 8.669 -7.805 1.00 0.00 C ATOM 955 C GLN A 61 2.242 8.032 -6.552 1.00 0.00 C ATOM 956 O GLN A 61 2.623 6.879 -6.559 1.00 0.00 O ATOM 957 CB GLN A 61 1.468 7.597 -8.890 1.00 0.00 C ATOM 958 CG GLN A 61 1.301 8.261 -10.262 1.00 0.00 C ATOM 959 CD GLN A 61 0.634 7.284 -11.234 1.00 0.00 C ATOM 960 OE1 GLN A 61 -0.266 6.558 -10.862 1.00 0.00 O ATOM 961 NE2 GLN A 61 1.042 7.236 -12.473 1.00 0.00 N ATOM 0 H GLN A 61 3.519 9.448 -8.445 1.00 0.00 H new ATOM 0 HA GLN A 61 0.663 9.098 -7.574 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.335 6.937 -8.900 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.599 6.978 -8.668 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.697 9.164 -10.168 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.273 8.566 -10.649 1.00 0.00 H new ATOM 0 HE21 GLN A 61 1.798 7.846 -12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.605 6.589 -13.129 1.00 0.00 H new ATOM 970 N THR A 62 2.359 8.775 -5.481 1.00 0.00 N ATOM 971 CA THR A 62 2.970 8.206 -4.242 1.00 0.00 C ATOM 972 C THR A 62 1.874 7.677 -3.320 1.00 0.00 C ATOM 973 O THR A 62 0.823 8.268 -3.169 1.00 0.00 O ATOM 974 CB THR A 62 3.754 9.299 -3.513 1.00 0.00 C ATOM 975 OG1 THR A 62 2.881 10.374 -3.195 1.00 0.00 O ATOM 976 CG2 THR A 62 4.884 9.804 -4.409 1.00 0.00 C ATOM 0 H THR A 62 2.059 9.747 -5.411 1.00 0.00 H new ATOM 0 HA THR A 62 3.639 7.390 -4.516 1.00 0.00 H new ATOM 0 HB THR A 62 4.178 8.891 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.382 11.074 -2.726 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.441 10.583 -3.888 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.553 8.978 -4.651 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.465 10.212 -5.329 1.00 0.00 H new ATOM 984 N LEU A 63 2.118 6.542 -2.720 1.00 0.00 N ATOM 985 CA LEU A 63 1.115 5.911 -1.815 1.00 0.00 C ATOM 986 C LEU A 63 1.482 6.215 -0.354 1.00 0.00 C ATOM 987 O LEU A 63 2.624 6.094 0.043 1.00 0.00 O ATOM 988 CB LEU A 63 1.149 4.391 -2.073 1.00 0.00 C ATOM 989 CG LEU A 63 -0.226 3.749 -1.836 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.264 4.281 -2.854 1.00 0.00 C ATOM 991 CD2 LEU A 63 -0.077 2.229 -1.991 1.00 0.00 C ATOM 0 H LEU A 63 2.986 6.017 -2.822 1.00 0.00 H new ATOM 0 HA LEU A 63 0.115 6.302 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.468 4.202 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.886 3.926 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.579 3.999 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.230 3.812 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.358 5.362 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.936 4.044 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.042 1.750 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.276 1.999 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.641 1.857 -1.260 1.00 0.00 H new ATOM 1003 N LYS A 64 0.523 6.612 0.447 1.00 0.00 N ATOM 1004 CA LYS A 64 0.813 6.927 1.881 1.00 0.00 C ATOM 1005 C LYS A 64 0.422 5.738 2.760 1.00 0.00 C ATOM 1006 O LYS A 64 -0.616 5.134 2.576 1.00 0.00 O ATOM 1007 CB LYS A 64 0.003 8.155 2.303 1.00 0.00 C ATOM 1008 CG LYS A 64 0.359 9.338 1.400 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.150 10.637 2.032 1.00 0.00 C ATOM 1010 CE LYS A 64 -0.141 11.754 0.986 1.00 0.00 C ATOM 1011 NZ LYS A 64 1.230 11.894 0.419 1.00 0.00 N ATOM 0 H LYS A 64 -0.451 6.732 0.168 1.00 0.00 H new ATOM 0 HA LYS A 64 1.878 7.129 1.998 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.064 7.941 2.236 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.213 8.402 3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.439 9.389 1.259 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.085 9.203 0.414 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.159 10.494 2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.479 10.912 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.853 11.529 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.456 12.694 1.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.252 12.697 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.909 12.060 1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.487 11.022 -0.087 1.00 0.00 H new ATOM 1025 N ILE A 65 1.244 5.398 3.720 1.00 0.00 N ATOM 1026 CA ILE A 65 0.919 4.249 4.617 1.00 0.00 C ATOM 1027 C ILE A 65 0.142 4.753 5.832 1.00 0.00 C ATOM 1028 O ILE A 65 0.405 5.821 6.349 1.00 0.00 O ATOM 1029 CB ILE A 65 2.210 3.581 5.098 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.172 4.646 5.632 1.00 0.00 C ATOM 1031 CG2 ILE A 65 2.869 2.835 3.938 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.404 3.969 6.237 1.00 0.00 C ATOM 0 H ILE A 65 2.127 5.867 3.921 1.00 0.00 H new ATOM 0 HA ILE A 65 0.318 3.528 4.063 1.00 0.00 H new ATOM 0 HB ILE A 65 1.973 2.874 5.893 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.472 5.316 4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.673 5.256 6.385 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.787 2.361 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.187 2.072 3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.103 3.539 3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.087 4.729 6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.096 3.317 7.055 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.907 3.378 5.472 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.805 3.981 6.300 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.604 4.384 7.497 1.00 0.00 C ATOM 1046 C ARG A 66 -1.217 3.479 8.666 1.00 0.00 C ATOM 1047 O ARG A 66 -1.200 3.895 9.807 1.00 0.00 O ATOM 1048 CB ARG A 66 -3.096 4.216 7.195 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.920 4.747 8.370 1.00 0.00 C ATOM 1050 CD ARG A 66 -5.408 4.531 8.089 1.00 0.00 C ATOM 1051 NE ARG A 66 -6.216 5.261 9.108 1.00 0.00 N ATOM 1052 CZ ARG A 66 -7.481 4.982 9.261 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -8.041 4.063 8.520 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -8.187 5.620 10.153 1.00 0.00 N ATOM 0 H ARG A 66 -1.062 3.079 5.900 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.404 5.426 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.356 4.754 6.283 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.326 3.165 7.022 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.635 4.235 9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.718 5.807 8.520 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.656 4.887 7.089 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.644 3.467 8.116 1.00 0.00 H new ATOM 0 HE ARG A 66 -5.779 5.979 9.686 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.489 3.564 7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.030 3.844 8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.750 6.338 10.731 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -9.176 5.401 10.272 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.899 2.243 8.381 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.506 1.296 9.464 1.00 0.00 C ATOM 1070 C ASN A 67 -0.086 -0.039 8.842 1.00 0.00 C ATOM 1071 O ASN A 67 -0.916 -0.828 8.433 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.695 1.063 10.402 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.336 -0.016 11.427 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -1.394 -1.274 11.080 1.00 0.00 O flip ATOM 1075 ND2 ASN A 67 -1.001 0.288 12.554 1.00 0.00 N flip ATOM 0 H ASN A 67 -0.895 1.848 7.441 1.00 0.00 H new ATOM 0 HA ASN A 67 0.325 1.718 10.029 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.956 1.990 10.912 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.570 0.757 9.828 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.956 1.270 12.825 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.765 -0.439 13.229 1.00 0.00 H new ATOM 1082 N ALA A 68 1.195 -0.299 8.766 1.00 0.00 N ATOM 1083 CA ALA A 68 1.663 -1.587 8.172 1.00 0.00 C ATOM 1084 C ALA A 68 1.609 -2.690 9.231 1.00 0.00 C ATOM 1085 O ALA A 68 1.710 -2.430 10.414 1.00 0.00 O ATOM 1086 CB ALA A 68 3.102 -1.436 7.678 1.00 0.00 C ATOM 0 H ALA A 68 1.935 0.324 9.089 1.00 0.00 H new ATOM 0 HA ALA A 68 1.016 -1.849 7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.439 -2.378 7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.147 -0.653 6.921 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.748 -1.169 8.515 1.00 0.00 H new ATOM 1092 N THR A 69 1.451 -3.922 8.811 1.00 0.00 N ATOM 1093 CA THR A 69 1.390 -5.061 9.781 1.00 0.00 C ATOM 1094 C THR A 69 2.303 -6.187 9.286 1.00 0.00 C ATOM 1095 O THR A 69 2.678 -6.230 8.132 1.00 0.00 O ATOM 1096 CB THR A 69 -0.049 -5.575 9.879 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.316 -6.436 8.784 1.00 0.00 O ATOM 1098 CG2 THR A 69 -1.021 -4.392 9.855 1.00 0.00 C ATOM 0 H THR A 69 1.361 -4.189 7.831 1.00 0.00 H new ATOM 0 HA THR A 69 1.719 -4.725 10.764 1.00 0.00 H new ATOM 0 HB THR A 69 -0.177 -6.124 10.812 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.084 -7.006 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.044 -4.761 9.925 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.814 -3.734 10.699 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.897 -3.838 8.924 1.00 0.00 H new ATOM 1106 N HIS A 70 2.671 -7.092 10.153 1.00 0.00 N ATOM 1107 CA HIS A 70 3.569 -8.209 9.736 1.00 0.00 C ATOM 1108 C HIS A 70 2.742 -9.352 9.140 1.00 0.00 C ATOM 1109 O HIS A 70 3.101 -10.509 9.248 1.00 0.00 O ATOM 1110 CB HIS A 70 4.339 -8.722 10.954 1.00 0.00 C ATOM 1111 CG HIS A 70 5.182 -7.612 11.518 1.00 0.00 C ATOM 1112 ND1 HIS A 70 4.696 -6.723 12.468 1.00 0.00 N ATOM 1113 CD2 HIS A 70 6.479 -7.231 11.277 1.00 0.00 C ATOM 1114 CE1 HIS A 70 5.687 -5.861 12.761 1.00 0.00 C ATOM 1115 NE2 HIS A 70 6.792 -6.127 12.062 1.00 0.00 N ATOM 0 H HIS A 70 2.389 -7.106 11.133 1.00 0.00 H new ATOM 0 HA HIS A 70 4.268 -7.844 8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 70 3.644 -9.085 11.711 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.970 -9.564 10.670 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.152 -7.714 10.584 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.599 -5.054 13.473 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.680 -5.626 12.096 1.00 0.00 H new ATOM 1124 N TYR A 71 1.641 -9.046 8.511 1.00 0.00 N ATOM 1125 CA TYR A 71 0.803 -10.124 7.911 1.00 0.00 C ATOM 1126 C TYR A 71 0.571 -11.226 8.951 1.00 0.00 C ATOM 1127 O TYR A 71 0.881 -12.380 8.730 1.00 0.00 O ATOM 1128 CB TYR A 71 1.526 -10.709 6.693 1.00 0.00 C ATOM 1129 CG TYR A 71 0.763 -11.909 6.169 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.546 -11.754 5.696 1.00 0.00 C ATOM 1131 CD2 TYR A 71 1.365 -13.177 6.155 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.252 -12.861 5.212 1.00 0.00 C ATOM 1133 CE2 TYR A 71 0.656 -14.283 5.670 1.00 0.00 C ATOM 1134 CZ TYR A 71 -0.652 -14.125 5.199 1.00 0.00 C ATOM 1135 OH TYR A 71 -1.349 -15.215 4.721 1.00 0.00 O ATOM 0 H TYR A 71 1.285 -8.098 8.386 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.157 -9.713 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.613 -9.953 5.913 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.539 -11.002 6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -1.011 -10.779 5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 71 2.375 -13.300 6.518 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.262 -12.740 4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.119 -15.259 5.660 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.787 -16.015 4.782 1.00 0.00 H new ATOM 1145 N SER A 72 0.029 -10.879 10.086 1.00 0.00 N ATOM 1146 CA SER A 72 -0.222 -11.906 11.136 1.00 0.00 C ATOM 1147 C SER A 72 -1.530 -12.635 10.827 1.00 0.00 C ATOM 1148 O SER A 72 -2.523 -12.028 10.480 1.00 0.00 O ATOM 1149 CB SER A 72 -0.330 -11.228 12.500 1.00 0.00 C ATOM 1150 OG SER A 72 -1.170 -10.087 12.392 1.00 0.00 O ATOM 0 H SER A 72 -0.251 -9.929 10.332 1.00 0.00 H new ATOM 0 HA SER A 72 0.602 -12.620 11.151 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.736 -11.924 13.234 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.659 -10.934 12.852 1.00 0.00 H new ATOM 0 HG SER A 72 -1.717 -10.159 11.582 1.00 0.00 H new ATOM 1156 N SER A 73 -1.541 -13.933 10.950 1.00 0.00 N ATOM 1157 CA SER A 73 -2.787 -14.694 10.664 1.00 0.00 C ATOM 1158 C SER A 73 -3.925 -14.141 11.522 1.00 0.00 C ATOM 1159 O SER A 73 -5.087 -14.376 11.257 1.00 0.00 O ATOM 1160 CB SER A 73 -2.571 -16.172 10.992 1.00 0.00 C ATOM 1161 OG SER A 73 -1.615 -16.717 10.091 1.00 0.00 O ATOM 0 H SER A 73 -0.742 -14.498 11.236 1.00 0.00 H new ATOM 0 HA SER A 73 -3.042 -14.592 9.609 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.224 -16.282 12.019 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.513 -16.715 10.914 1.00 0.00 H new ATOM 0 HG SER A 73 -1.472 -17.664 10.299 1.00 0.00 H new ATOM 1167 N GLU A 74 -3.601 -13.407 12.550 1.00 0.00 N ATOM 1168 CA GLU A 74 -4.663 -12.839 13.427 1.00 0.00 C ATOM 1169 C GLU A 74 -5.285 -11.612 12.754 1.00 0.00 C ATOM 1170 O GLU A 74 -6.487 -11.429 12.763 1.00 0.00 O ATOM 1171 CB GLU A 74 -4.048 -12.425 14.765 1.00 0.00 C ATOM 1172 CG GLU A 74 -3.751 -13.672 15.598 1.00 0.00 C ATOM 1173 CD GLU A 74 -2.938 -13.278 16.834 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -2.696 -12.095 17.007 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -2.573 -14.167 17.586 1.00 0.00 O ATOM 0 H GLU A 74 -2.645 -13.176 12.821 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.434 -13.591 13.594 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -3.131 -11.860 14.597 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.732 -11.769 15.304 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -4.682 -14.151 15.900 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.198 -14.398 15.002 1.00 0.00 H new ATOM 1182 N ARG A 75 -4.475 -10.768 12.177 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.018 -9.549 11.514 1.00 0.00 C ATOM 1184 C ARG A 75 -5.678 -9.932 10.186 1.00 0.00 C ATOM 1185 O ARG A 75 -6.834 -9.641 9.954 1.00 0.00 O ATOM 1186 CB ARG A 75 -3.876 -8.564 11.259 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.375 -8.014 12.596 1.00 0.00 C ATOM 1188 CD ARG A 75 -2.137 -7.145 12.363 1.00 0.00 C ATOM 1189 NE ARG A 75 -1.751 -6.478 13.639 1.00 0.00 N ATOM 1190 CZ ARG A 75 -1.188 -7.169 14.592 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -0.967 -8.445 14.432 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -0.849 -6.583 15.708 1.00 0.00 N ATOM 0 H ARG A 75 -3.461 -10.870 12.136 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.763 -9.084 12.159 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.063 -9.061 10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -4.219 -7.748 10.623 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.158 -7.427 13.076 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.133 -8.835 13.271 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.313 -7.758 11.997 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.343 -6.397 11.597 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.927 -5.481 13.767 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.234 -8.904 13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.527 -8.984 15.178 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.024 -5.586 15.834 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.409 -7.122 16.454 1.00 0.00 H new ATOM 1206 N TRP A 76 -4.956 -10.577 9.312 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.548 -10.970 8.002 1.00 0.00 C ATOM 1208 C TRP A 76 -6.882 -11.686 8.234 1.00 0.00 C ATOM 1209 O TRP A 76 -7.848 -11.459 7.532 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.575 -11.900 7.266 1.00 0.00 C ATOM 1211 CG TRP A 76 -5.238 -12.491 6.059 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.465 -13.812 5.871 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.761 -11.814 4.877 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -6.092 -13.989 4.652 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -6.297 -12.790 4.001 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -5.823 -10.465 4.481 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -6.872 -12.439 2.779 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -6.402 -10.110 3.251 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -6.925 -11.095 2.403 1.00 0.00 C ATOM 0 H TRP A 76 -3.982 -10.849 9.448 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.724 -10.080 7.397 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.686 -11.345 6.967 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.244 -12.695 7.934 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.200 -14.599 6.561 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -6.370 -14.897 4.279 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.423 -9.697 5.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -7.273 -13.202 2.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -6.444 -9.072 2.957 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.369 -10.815 1.459 1.00 0.00 H new