USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 919 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 3 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-1.1) USER MOD Set 1.2: A 103 THR OG1 : rot -98:sc= 0.0574 USER MOD Set 2.1: A 59 MET CE :methyl -118:sc= -0.0713 (180deg=-2.87!) USER MOD Set 2.2: A 88 MET CE :methyl 165:sc=-0.00277 (180deg=-0.203) USER MOD Set 2.3: A 90 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0.316 USER MOD Set 3.2: A 32 THR OG1 : rot 136:sc= 0.339 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0197 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0209 K(o=0.021,f=-5.6!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0498 USER MOD Single : A 31 SER OG : rot 180:sc= 0.184 USER MOD Single : A 36 LYS NZ :NH3+ -145:sc= -0.047 (180deg=-0.271) USER MOD Single : A 38 HIS : no HD1:sc= -2.79 K(o=-2.8,f=-1.5) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 170:sc= -1.25 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.13) USER MOD Single : A 51 THR OG1 : rot 90:sc= 0.534 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 39:sc= -0.865 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -127:sc= -1.84 (180deg=-5.24!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0374) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 78 ASN : amide:sc= -0.409 K(o=-0.41,f=-1.2) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 87 HIS : no HE2:sc= 0.0946 K(o=0.095,f=-2.3) USER MOD Single : A 92 ASN : amide:sc= -3.74! C(o=-3.7!,f=-9.7!) USER MOD Single : A 93 ASN : amide:sc= -2.21 K(o=-2.2,f=-0.13) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.121 USER MOD Single : A 97 MET CE :methyl -123:sc= -2.83! (180deg=-5.14!) USER MOD Single : A 99 ASN : amide:sc= -1.49 K(o=-1.5,f=-3!) USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= -1.5 (180deg=-2.96!) USER MOD Single : A 102 MET CE :methyl -161:sc= -0.0289 (180deg=-0.275) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 150:sc= -0.0186 USER MOD Single : A 112 LYS NZ :NH3+ -140:sc= -1.35 (180deg=-3.61!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -12.865 10.318 7.832 1.00 0.00 N ATOM 2 CA PRO A 1 -11.561 9.628 7.773 1.00 0.00 C ATOM 3 C PRO A 1 -11.398 8.832 6.478 1.00 0.00 C ATOM 4 O PRO A 1 -10.928 7.694 6.490 1.00 0.00 O ATOM 5 CB PRO A 1 -11.505 8.704 8.985 1.00 0.00 C ATOM 6 CG PRO A 1 -12.923 8.631 9.470 1.00 0.00 C ATOM 7 CD PRO A 1 -13.613 9.907 9.029 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.407 10.104 6.995 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.721 11.328 7.844 1.00 0.00 H new ATOM 0 HA PRO A 1 -10.747 10.353 7.787 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -11.127 7.718 8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -10.842 9.099 9.755 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -13.427 7.758 9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.954 8.532 10.555 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -14.665 9.735 8.803 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -13.575 10.671 9.806 1.00 0.00 H new ATOM 17 N SER A 2 -11.789 9.441 5.364 1.00 0.00 N ATOM 18 CA SER A 2 -11.687 8.791 4.062 1.00 0.00 C ATOM 19 C SER A 2 -10.238 8.436 3.743 1.00 0.00 C ATOM 20 O SER A 2 -9.967 7.458 3.045 1.00 0.00 O ATOM 21 CB SER A 2 -12.252 9.700 2.969 1.00 0.00 C ATOM 22 OG SER A 2 -13.585 10.083 3.263 1.00 0.00 O ATOM 0 H SER A 2 -12.179 10.383 5.336 1.00 0.00 H new ATOM 0 HA SER A 2 -12.269 7.870 4.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.628 10.588 2.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.222 9.183 2.010 1.00 0.00 H new ATOM 0 HG SER A 2 -13.923 10.665 2.551 1.00 0.00 H new ATOM 28 N HIS A 3 -9.309 9.237 4.258 1.00 0.00 N ATOM 29 CA HIS A 3 -7.887 9.007 4.026 1.00 0.00 C ATOM 30 C HIS A 3 -7.252 8.253 5.191 1.00 0.00 C ATOM 31 O HIS A 3 -6.054 8.374 5.439 1.00 0.00 O ATOM 32 CB HIS A 3 -7.165 10.338 3.815 1.00 0.00 C ATOM 33 CG HIS A 3 -7.432 10.961 2.480 1.00 0.00 C ATOM 34 ND1 HIS A 3 -8.466 11.843 2.254 1.00 0.00 N ATOM 35 CD2 HIS A 3 -6.791 10.822 1.295 1.00 0.00 C ATOM 36 CE1 HIS A 3 -8.450 12.222 0.988 1.00 0.00 C ATOM 37 NE2 HIS A 3 -7.445 11.617 0.385 1.00 0.00 N ATOM 0 H HIS A 3 -9.516 10.050 4.838 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.788 8.396 3.129 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.467 11.034 4.598 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.092 10.181 3.925 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.928 10.202 1.102 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.142 12.910 0.526 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.194 11.722 -0.598 1.00 0.00 H new ATOM 46 N SER A 4 -8.063 7.473 5.902 1.00 0.00 N ATOM 47 CA SER A 4 -7.570 6.702 7.039 1.00 0.00 C ATOM 48 C SER A 4 -8.561 5.613 7.435 1.00 0.00 C ATOM 49 O SER A 4 -9.734 5.885 7.687 1.00 0.00 O ATOM 50 CB SER A 4 -7.304 7.626 8.228 1.00 0.00 C ATOM 51 OG SER A 4 -8.507 8.199 8.710 1.00 0.00 O ATOM 0 H SER A 4 -9.059 7.359 5.712 1.00 0.00 H new ATOM 0 HA SER A 4 -6.637 6.222 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.820 7.065 9.027 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.615 8.417 7.931 1.00 0.00 H new ATOM 0 HG SER A 4 -8.309 8.784 9.471 1.00 0.00 H new ATOM 57 N GLY A 5 -8.074 4.379 7.490 1.00 0.00 N ATOM 58 CA GLY A 5 -8.917 3.258 7.858 1.00 0.00 C ATOM 59 C GLY A 5 -8.105 2.075 8.343 1.00 0.00 C ATOM 60 O GLY A 5 -6.944 1.918 7.965 1.00 0.00 O ATOM 0 H GLY A 5 -7.105 4.134 7.285 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.611 3.567 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.518 2.958 6.999 1.00 0.00 H new ATOM 64 N ALA A 6 -8.708 1.242 9.183 1.00 0.00 N ATOM 65 CA ALA A 6 -8.015 0.077 9.715 1.00 0.00 C ATOM 66 C ALA A 6 -7.699 -0.929 8.617 1.00 0.00 C ATOM 67 O ALA A 6 -8.518 -1.178 7.732 1.00 0.00 O ATOM 68 CB ALA A 6 -8.835 -0.584 10.809 1.00 0.00 C ATOM 0 H ALA A 6 -9.669 1.351 9.508 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.073 0.422 10.142 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.298 -1.452 11.192 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.001 0.126 11.619 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.795 -0.902 10.402 1.00 0.00 H new ATOM 74 N ALA A 7 -6.506 -1.505 8.686 1.00 0.00 N ATOM 75 CA ALA A 7 -6.077 -2.489 7.700 1.00 0.00 C ATOM 76 C ALA A 7 -4.979 -3.395 8.251 1.00 0.00 C ATOM 77 O ALA A 7 -4.175 -2.978 9.083 1.00 0.00 O ATOM 78 CB ALA A 7 -5.595 -1.789 6.439 1.00 0.00 C ATOM 0 H ALA A 7 -5.819 -1.308 9.413 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.935 -3.116 7.459 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.277 -2.533 5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.407 -1.194 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.756 -1.138 6.683 1.00 0.00 H new ATOM 84 N ILE A 8 -4.948 -4.643 7.777 1.00 0.00 N ATOM 85 CA ILE A 8 -3.946 -5.605 8.219 1.00 0.00 C ATOM 86 C ILE A 8 -2.776 -5.666 7.252 1.00 0.00 C ATOM 87 O ILE A 8 -2.951 -5.584 6.037 1.00 0.00 O ATOM 88 CB ILE A 8 -4.531 -7.022 8.325 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.818 -7.018 9.132 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.524 -7.986 8.939 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.614 -8.278 8.932 1.00 0.00 C ATOM 0 H ILE A 8 -5.606 -5.007 7.088 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.611 -5.265 9.199 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.758 -7.363 7.315 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.582 -6.903 10.190 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.423 -6.158 8.845 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.965 -8.981 9.002 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.630 -8.024 8.316 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.256 -7.644 9.939 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.525 -8.231 9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.874 -8.381 7.878 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.020 -9.137 9.244 1.00 0.00 H new ATOM 103 N PHE A 9 -1.586 -5.840 7.803 1.00 0.00 N ATOM 104 CA PHE A 9 -0.383 -5.946 6.999 1.00 0.00 C ATOM 105 C PHE A 9 0.587 -6.934 7.635 1.00 0.00 C ATOM 106 O PHE A 9 1.207 -6.640 8.655 1.00 0.00 O ATOM 107 CB PHE A 9 0.277 -4.580 6.828 1.00 0.00 C ATOM 108 CG PHE A 9 1.532 -4.622 6.006 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.510 -5.109 4.711 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.732 -4.177 6.531 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.665 -5.152 3.952 1.00 0.00 C ATOM 112 CE2 PHE A 9 3.891 -4.216 5.779 1.00 0.00 C ATOM 113 CZ PHE A 9 3.858 -4.704 4.488 1.00 0.00 C ATOM 0 H PHE A 9 -1.429 -5.911 8.808 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.659 -6.313 6.010 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.433 -3.898 6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.509 -4.172 7.811 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.580 -5.460 4.288 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.764 -3.795 7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.635 -5.535 2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.821 -3.865 6.201 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.762 -4.736 3.898 1.00 0.00 H new ATOM 123 N GLU A 10 0.698 -8.112 7.025 1.00 0.00 N ATOM 124 CA GLU A 10 1.577 -9.167 7.516 1.00 0.00 C ATOM 125 C GLU A 10 0.961 -9.887 8.715 1.00 0.00 C ATOM 126 O GLU A 10 1.616 -10.081 9.739 1.00 0.00 O ATOM 127 CB GLU A 10 2.949 -8.601 7.888 1.00 0.00 C ATOM 128 CG GLU A 10 3.575 -7.754 6.791 1.00 0.00 C ATOM 129 CD GLU A 10 4.980 -7.298 7.137 1.00 0.00 C ATOM 130 OE1 GLU A 10 5.380 -7.441 8.312 1.00 0.00 O ATOM 131 OE2 GLU A 10 5.680 -6.796 6.232 1.00 0.00 O ATOM 0 H GLU A 10 0.183 -8.360 6.180 1.00 0.00 H new ATOM 0 HA GLU A 10 1.704 -9.891 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.851 -7.998 8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.621 -9.426 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.601 -8.327 5.864 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.948 -6.881 6.608 1.00 0.00 H new ATOM 138 N LYS A 11 -0.298 -10.307 8.572 1.00 0.00 N ATOM 139 CA LYS A 11 -0.996 -11.026 9.622 1.00 0.00 C ATOM 140 C LYS A 11 -1.135 -10.203 10.900 1.00 0.00 C ATOM 141 O LYS A 11 -1.471 -10.740 11.956 1.00 0.00 O ATOM 142 CB LYS A 11 -0.266 -12.328 9.899 1.00 0.00 C ATOM 143 CG LYS A 11 -0.659 -13.444 8.949 1.00 0.00 C ATOM 144 CD LYS A 11 -1.888 -14.191 9.444 1.00 0.00 C ATOM 145 CE LYS A 11 -2.175 -15.418 8.592 1.00 0.00 C ATOM 146 NZ LYS A 11 -1.659 -16.664 9.224 1.00 0.00 N ATOM 0 H LYS A 11 -0.852 -10.156 7.729 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.009 -11.232 9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.808 -12.158 9.826 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.470 -12.642 10.923 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.858 -13.029 7.961 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.172 -14.141 8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.738 -14.493 10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.751 -13.525 9.428 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.250 -15.508 8.435 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.719 -15.293 7.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.874 -17.478 8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.629 -16.588 9.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.113 -16.797 10.150 1.00 0.00 H new ATOM 160 N VAL A 12 -0.908 -8.898 10.800 1.00 0.00 N ATOM 161 CA VAL A 12 -1.042 -8.016 11.937 1.00 0.00 C ATOM 162 C VAL A 12 -1.985 -6.879 11.574 1.00 0.00 C ATOM 163 O VAL A 12 -1.963 -6.391 10.446 1.00 0.00 O ATOM 164 CB VAL A 12 0.322 -7.459 12.397 1.00 0.00 C ATOM 165 CG1 VAL A 12 0.143 -6.417 13.492 1.00 0.00 C ATOM 166 CG2 VAL A 12 1.221 -8.589 12.872 1.00 0.00 C ATOM 0 H VAL A 12 -0.629 -8.433 9.936 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.451 -8.587 12.771 1.00 0.00 H new ATOM 0 HB VAL A 12 0.798 -6.972 11.546 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.119 -6.040 13.799 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.462 -5.593 13.114 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.356 -6.871 14.348 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.179 -8.181 13.193 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.747 -9.104 13.708 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.382 -9.294 12.056 1.00 0.00 H new ATOM 176 N SER A 13 -2.835 -6.486 12.510 1.00 0.00 N ATOM 177 CA SER A 13 -3.801 -5.429 12.248 1.00 0.00 C ATOM 178 C SER A 13 -3.334 -4.089 12.794 1.00 0.00 C ATOM 179 O SER A 13 -2.607 -4.018 13.784 1.00 0.00 O ATOM 180 CB SER A 13 -5.158 -5.791 12.852 1.00 0.00 C ATOM 181 OG SER A 13 -5.049 -6.038 14.243 1.00 0.00 O ATOM 0 H SER A 13 -2.877 -6.879 13.450 1.00 0.00 H new ATOM 0 HA SER A 13 -3.897 -5.335 11.166 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.865 -4.980 12.678 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.557 -6.674 12.353 1.00 0.00 H new ATOM 0 HG SER A 13 -5.931 -6.266 14.605 1.00 0.00 H new ATOM 187 N GLY A 14 -3.770 -3.031 12.127 1.00 0.00 N ATOM 188 CA GLY A 14 -3.412 -1.690 12.527 1.00 0.00 C ATOM 189 C GLY A 14 -4.194 -0.651 11.754 1.00 0.00 C ATOM 190 O GLY A 14 -4.933 -0.986 10.828 1.00 0.00 O ATOM 0 H GLY A 14 -4.373 -3.081 11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.597 -1.566 13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.345 -1.535 12.369 1.00 0.00 H new ATOM 194 N ILE A 15 -4.035 0.612 12.125 1.00 0.00 N ATOM 195 CA ILE A 15 -4.736 1.688 11.449 1.00 0.00 C ATOM 196 C ILE A 15 -3.913 2.230 10.290 1.00 0.00 C ATOM 197 O ILE A 15 -2.745 2.586 10.449 1.00 0.00 O ATOM 198 CB ILE A 15 -5.098 2.824 12.425 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.080 2.290 13.482 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.676 4.021 11.675 1.00 0.00 C ATOM 201 CD1 ILE A 15 -7.413 3.012 13.524 1.00 0.00 C ATOM 0 H ILE A 15 -3.429 0.913 12.888 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.663 1.274 11.053 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.196 3.170 12.930 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.260 1.232 13.291 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.612 2.361 14.464 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.924 4.810 12.385 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.941 4.393 10.961 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.577 3.716 11.142 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.042 2.570 14.297 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.249 4.066 13.748 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.908 2.919 12.557 1.00 0.00 H new ATOM 213 N ILE A 16 -4.532 2.265 9.120 1.00 0.00 N ATOM 214 CA ILE A 16 -3.881 2.733 7.913 1.00 0.00 C ATOM 215 C ILE A 16 -4.303 4.163 7.583 1.00 0.00 C ATOM 216 O ILE A 16 -5.488 4.447 7.408 1.00 0.00 O ATOM 217 CB ILE A 16 -4.228 1.787 6.734 1.00 0.00 C ATOM 218 CG1 ILE A 16 -3.020 0.919 6.388 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.713 2.560 5.511 1.00 0.00 C ATOM 220 CD1 ILE A 16 -3.207 0.078 5.142 1.00 0.00 C ATOM 0 H ILE A 16 -5.499 1.969 8.984 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.803 2.729 8.076 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.048 1.142 7.049 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.150 1.561 6.254 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.804 0.261 7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.946 1.861 4.708 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.608 3.126 5.770 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.933 3.246 5.181 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.307 -0.510 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.057 -0.591 5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.392 0.729 4.288 1.00 0.00 H new ATOM 232 N ALA A 17 -3.322 5.053 7.488 1.00 0.00 N ATOM 233 CA ALA A 17 -3.587 6.447 7.166 1.00 0.00 C ATOM 234 C ALA A 17 -2.814 6.864 5.924 1.00 0.00 C ATOM 235 O ALA A 17 -1.671 6.452 5.724 1.00 0.00 O ATOM 236 CB ALA A 17 -3.228 7.346 8.338 1.00 0.00 C ATOM 0 H ALA A 17 -2.336 4.832 7.630 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.653 6.553 6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.434 8.384 8.077 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.823 7.066 9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.169 7.234 8.572 1.00 0.00 H new ATOM 242 N ILE A 18 -3.442 7.680 5.089 1.00 0.00 N ATOM 243 CA ILE A 18 -2.816 8.146 3.865 1.00 0.00 C ATOM 244 C ILE A 18 -2.425 9.617 3.986 1.00 0.00 C ATOM 245 O ILE A 18 -3.282 10.500 4.004 1.00 0.00 O ATOM 246 CB ILE A 18 -3.762 7.935 2.659 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.432 6.618 1.957 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.686 9.097 1.679 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.519 6.145 1.016 1.00 0.00 C ATOM 0 H ILE A 18 -4.387 8.032 5.240 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.910 7.563 3.700 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.784 7.891 3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.504 6.737 1.397 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.254 5.849 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.363 8.914 0.845 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.973 10.019 2.185 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.667 9.191 1.305 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.216 5.205 0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.443 5.994 1.574 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.682 6.895 0.242 1.00 0.00 H new ATOM 261 N ASN A 19 -1.124 9.870 4.064 1.00 0.00 N ATOM 262 CA ASN A 19 -0.619 11.231 4.176 1.00 0.00 C ATOM 263 C ASN A 19 -0.080 11.712 2.836 1.00 0.00 C ATOM 264 O ASN A 19 0.959 11.240 2.370 1.00 0.00 O ATOM 265 CB ASN A 19 0.477 11.306 5.241 1.00 0.00 C ATOM 266 CG ASN A 19 0.844 12.735 5.593 1.00 0.00 C ATOM 267 OD1 ASN A 19 0.314 13.684 5.016 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.756 12.893 6.545 1.00 0.00 N ATOM 0 H ASN A 19 -0.401 9.151 4.052 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.443 11.880 4.473 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.143 10.788 6.140 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.364 10.784 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.044 13.831 6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.169 12.077 6.996 1.00 0.00 H new ATOM 275 N GLU A 20 -0.789 12.648 2.219 1.00 0.00 N ATOM 276 CA GLU A 20 -0.375 13.186 0.928 1.00 0.00 C ATOM 277 C GLU A 20 0.486 14.435 1.100 1.00 0.00 C ATOM 278 O GLU A 20 1.152 14.870 0.162 1.00 0.00 O ATOM 279 CB GLU A 20 -1.593 13.505 0.056 1.00 0.00 C ATOM 280 CG GLU A 20 -2.746 14.146 0.816 1.00 0.00 C ATOM 281 CD GLU A 20 -2.317 15.367 1.606 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.595 16.216 1.042 1.00 0.00 O ATOM 283 OE2 GLU A 20 -2.706 15.475 2.788 1.00 0.00 O ATOM 0 H GLU A 20 -1.650 13.050 2.589 1.00 0.00 H new ATOM 0 HA GLU A 20 0.223 12.423 0.431 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.286 14.172 -0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.945 12.585 -0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.527 14.430 0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.181 13.413 1.495 1.00 0.00 H new ATOM 290 N ASP A 21 0.478 15.004 2.304 1.00 0.00 N ATOM 291 CA ASP A 21 1.270 16.195 2.586 1.00 0.00 C ATOM 292 C ASP A 21 2.737 15.960 2.238 1.00 0.00 C ATOM 293 O ASP A 21 3.485 16.903 1.977 1.00 0.00 O ATOM 294 CB ASP A 21 1.137 16.588 4.059 1.00 0.00 C ATOM 295 CG ASP A 21 1.761 17.937 4.357 1.00 0.00 C ATOM 296 OD1 ASP A 21 2.047 18.685 3.398 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.965 18.246 5.551 1.00 0.00 O ATOM 0 H ASP A 21 -0.066 14.660 3.095 1.00 0.00 H new ATOM 0 HA ASP A 21 0.892 17.010 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.082 16.611 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.611 15.827 4.679 1.00 0.00 H new ATOM 302 N VAL A 22 3.137 14.694 2.234 1.00 0.00 N ATOM 303 CA VAL A 22 4.504 14.321 1.916 1.00 0.00 C ATOM 304 C VAL A 22 4.713 14.246 0.409 1.00 0.00 C ATOM 305 O VAL A 22 3.769 14.016 -0.347 1.00 0.00 O ATOM 306 CB VAL A 22 4.884 12.969 2.534 1.00 0.00 C ATOM 307 CG1 VAL A 22 6.388 12.876 2.734 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.148 12.739 3.846 1.00 0.00 C ATOM 0 H VAL A 22 2.527 13.906 2.449 1.00 0.00 H new ATOM 0 HA VAL A 22 5.144 15.096 2.339 1.00 0.00 H new ATOM 0 HB VAL A 22 4.581 12.184 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.638 11.910 3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.890 12.978 1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.716 13.673 3.401 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.437 11.773 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.406 13.529 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.073 12.750 3.667 1.00 0.00 H new ATOM 318 N SER A 23 5.953 14.440 -0.022 1.00 0.00 N ATOM 319 CA SER A 23 6.280 14.390 -1.441 1.00 0.00 C ATOM 320 C SER A 23 7.571 13.602 -1.672 1.00 0.00 C ATOM 321 O SER A 23 8.659 14.077 -1.349 1.00 0.00 O ATOM 322 CB SER A 23 6.425 15.804 -2.001 1.00 0.00 C ATOM 323 OG SER A 23 6.815 16.718 -0.991 1.00 0.00 O ATOM 0 H SER A 23 6.747 14.633 0.589 1.00 0.00 H new ATOM 0 HA SER A 23 5.467 13.883 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.164 15.807 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.479 16.123 -2.439 1.00 0.00 H new ATOM 0 HG SER A 23 6.902 17.615 -1.377 1.00 0.00 H new ATOM 329 N PRO A 24 7.473 12.379 -2.234 1.00 0.00 N ATOM 330 CA PRO A 24 6.197 11.772 -2.634 1.00 0.00 C ATOM 331 C PRO A 24 5.358 11.327 -1.440 1.00 0.00 C ATOM 332 O PRO A 24 5.894 10.934 -0.404 1.00 0.00 O ATOM 333 CB PRO A 24 6.628 10.561 -3.461 1.00 0.00 C ATOM 334 CG PRO A 24 7.971 10.201 -2.928 1.00 0.00 C ATOM 335 CD PRO A 24 8.616 11.496 -2.522 1.00 0.00 C ATOM 0 HA PRO A 24 5.565 12.477 -3.174 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.924 9.736 -3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.675 10.802 -4.523 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.885 9.525 -2.078 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.566 9.689 -3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.254 11.369 -1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.242 11.898 -3.318 1.00 0.00 H new ATOM 343 N ALA A 25 4.039 11.388 -1.599 1.00 0.00 N ATOM 344 CA ALA A 25 3.117 10.987 -0.539 1.00 0.00 C ATOM 345 C ALA A 25 3.414 9.568 -0.064 1.00 0.00 C ATOM 346 O ALA A 25 4.236 8.867 -0.653 1.00 0.00 O ATOM 347 CB ALA A 25 1.681 11.091 -1.026 1.00 0.00 C ATOM 0 H ALA A 25 3.584 11.712 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 25 3.254 11.662 0.306 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.003 10.790 -0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.468 12.121 -1.313 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.541 10.437 -1.887 1.00 0.00 H new ATOM 353 N GLU A 26 2.745 9.148 1.008 1.00 0.00 N ATOM 354 CA GLU A 26 2.955 7.808 1.554 1.00 0.00 C ATOM 355 C GLU A 26 1.747 7.330 2.358 1.00 0.00 C ATOM 356 O GLU A 26 0.919 8.128 2.798 1.00 0.00 O ATOM 357 CB GLU A 26 4.204 7.790 2.439 1.00 0.00 C ATOM 358 CG GLU A 26 5.484 8.128 1.692 1.00 0.00 C ATOM 359 CD GLU A 26 6.719 7.996 2.563 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.571 7.966 3.803 1.00 0.00 O ATOM 361 OE2 GLU A 26 7.835 7.924 2.005 1.00 0.00 O ATOM 0 H GLU A 26 2.059 9.710 1.512 1.00 0.00 H new ATOM 0 HA GLU A 26 3.091 7.127 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.071 8.500 3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.306 6.803 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.581 7.470 0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.420 9.147 1.311 1.00 0.00 H new ATOM 368 N LEU A 27 1.665 6.015 2.548 1.00 0.00 N ATOM 369 CA LEU A 27 0.575 5.401 3.302 1.00 0.00 C ATOM 370 C LEU A 27 1.108 4.801 4.604 1.00 0.00 C ATOM 371 O LEU A 27 1.913 3.872 4.584 1.00 0.00 O ATOM 372 CB LEU A 27 -0.102 4.321 2.452 1.00 0.00 C ATOM 373 CG LEU A 27 -0.999 3.346 3.220 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.059 4.103 4.003 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.639 2.350 2.264 1.00 0.00 C ATOM 0 H LEU A 27 2.348 5.349 2.186 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.162 6.165 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.700 4.810 1.683 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.671 3.749 1.939 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.385 2.792 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.688 3.395 4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.577 4.775 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.674 4.683 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.274 1.664 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.242 2.885 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.860 1.786 1.751 1.00 0.00 H new ATOM 387 N THR A 28 0.677 5.359 5.733 1.00 0.00 N ATOM 388 CA THR A 28 1.121 4.913 7.028 1.00 0.00 C ATOM 389 C THR A 28 0.232 3.810 7.598 1.00 0.00 C ATOM 390 O THR A 28 -0.979 3.793 7.381 1.00 0.00 O ATOM 391 CB THR A 28 1.122 6.114 7.960 1.00 0.00 C ATOM 392 OG1 THR A 28 0.968 7.319 7.229 1.00 0.00 O ATOM 393 CG2 THR A 28 2.385 6.234 8.763 1.00 0.00 C ATOM 0 H THR A 28 0.011 6.131 5.764 1.00 0.00 H new ATOM 0 HA THR A 28 2.120 4.489 6.930 1.00 0.00 H new ATOM 0 HB THR A 28 0.285 5.954 8.639 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.970 8.079 7.847 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.324 7.110 9.408 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.513 5.341 9.375 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.236 6.338 8.090 1.00 0.00 H new ATOM 401 N TRP A 29 0.853 2.902 8.342 1.00 0.00 N ATOM 402 CA TRP A 29 0.153 1.796 8.972 1.00 0.00 C ATOM 403 C TRP A 29 0.602 1.639 10.418 1.00 0.00 C ATOM 404 O TRP A 29 1.728 1.219 10.683 1.00 0.00 O ATOM 405 CB TRP A 29 0.415 0.493 8.222 1.00 0.00 C ATOM 406 CG TRP A 29 -0.281 -0.676 8.840 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.607 -0.762 9.129 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.305 -1.914 9.264 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.893 -1.985 9.689 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.735 -2.707 9.781 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.603 -2.434 9.248 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.520 -3.986 10.277 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.815 -3.710 9.745 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.755 -4.473 10.252 1.00 0.00 C ATOM 0 H TRP A 29 1.857 2.915 8.524 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.914 2.016 8.944 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.087 0.601 7.188 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.488 0.301 8.198 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.331 0.018 8.945 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.816 -2.301 9.987 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.424 -1.852 8.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.335 -4.576 10.670 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.813 -4.123 9.741 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.950 -5.466 10.630 1.00 0.00 H new ATOM 425 N ARG A 30 -0.280 1.962 11.351 1.00 0.00 N ATOM 426 CA ARG A 30 0.045 1.832 12.767 1.00 0.00 C ATOM 427 C ARG A 30 -0.592 0.570 13.336 1.00 0.00 C ATOM 428 O ARG A 30 -1.800 0.378 13.221 1.00 0.00 O ATOM 429 CB ARG A 30 -0.432 3.061 13.543 1.00 0.00 C ATOM 430 CG ARG A 30 0.361 4.321 13.236 1.00 0.00 C ATOM 431 CD ARG A 30 -0.250 5.094 12.079 1.00 0.00 C ATOM 432 NE ARG A 30 0.457 6.348 11.824 1.00 0.00 N ATOM 433 CZ ARG A 30 0.403 7.406 12.630 1.00 0.00 C ATOM 434 NH1 ARG A 30 -0.322 7.367 13.741 1.00 0.00 N ATOM 435 NH2 ARG A 30 1.076 8.506 12.324 1.00 0.00 N ATOM 0 H ARG A 30 -1.218 2.313 11.159 1.00 0.00 H new ATOM 0 HA ARG A 30 1.128 1.759 12.869 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.483 3.239 13.315 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.368 2.853 14.611 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.395 4.956 14.122 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.390 4.055 12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.230 4.477 11.180 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.297 5.306 12.297 1.00 0.00 H new ATOM 0 HE ARG A 30 1.025 6.416 10.979 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.842 6.523 13.981 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.359 8.181 14.354 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.635 8.541 11.471 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.035 9.317 12.941 1.00 0.00 H new ATOM 449 N SER A 31 0.216 -0.294 13.943 1.00 0.00 N ATOM 450 CA SER A 31 -0.289 -1.533 14.509 1.00 0.00 C ATOM 451 C SER A 31 -1.366 -1.260 15.547 1.00 0.00 C ATOM 452 O SER A 31 -1.397 -0.197 16.165 1.00 0.00 O ATOM 453 CB SER A 31 0.853 -2.340 15.130 1.00 0.00 C ATOM 454 OG SER A 31 0.362 -3.293 16.059 1.00 0.00 O ATOM 0 H SER A 31 1.221 -0.156 14.054 1.00 0.00 H new ATOM 0 HA SER A 31 -0.734 -2.116 13.702 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.412 -2.849 14.344 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.548 -1.666 15.630 1.00 0.00 H new ATOM 0 HG SER A 31 1.112 -3.796 16.439 1.00 0.00 H new ATOM 460 N THR A 32 -2.239 -2.238 15.740 1.00 0.00 N ATOM 461 CA THR A 32 -3.312 -2.132 16.704 1.00 0.00 C ATOM 462 C THR A 32 -2.740 -1.879 18.091 1.00 0.00 C ATOM 463 O THR A 32 -3.361 -1.229 18.933 1.00 0.00 O ATOM 464 CB THR A 32 -4.102 -3.436 16.674 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.155 -3.369 15.731 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.694 -3.824 18.002 1.00 0.00 C ATOM 0 H THR A 32 -2.219 -3.122 15.232 1.00 0.00 H new ATOM 0 HA THR A 32 -3.969 -1.298 16.457 1.00 0.00 H new ATOM 0 HB THR A 32 -3.372 -4.196 16.396 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.181 -4.199 15.210 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.240 -4.762 17.897 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.896 -3.949 18.734 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.376 -3.043 18.339 1.00 0.00 H new ATOM 474 N ASP A 33 -1.549 -2.410 18.308 1.00 0.00 N ATOM 475 CA ASP A 33 -0.863 -2.264 19.585 1.00 0.00 C ATOM 476 C ASP A 33 -0.359 -0.841 19.773 1.00 0.00 C ATOM 477 O ASP A 33 -0.293 -0.334 20.893 1.00 0.00 O ATOM 478 CB ASP A 33 0.302 -3.252 19.678 1.00 0.00 C ATOM 479 CG ASP A 33 -0.160 -4.695 19.673 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.360 -4.936 19.925 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.678 -5.585 19.417 1.00 0.00 O ATOM 0 H ASP A 33 -1.033 -2.950 17.613 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.577 -2.482 20.380 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.981 -3.088 18.841 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.867 -3.058 20.590 1.00 0.00 H new ATOM 486 N GLY A 34 0.004 -0.208 18.668 1.00 0.00 N ATOM 487 CA GLY A 34 0.508 1.149 18.719 1.00 0.00 C ATOM 488 C GLY A 34 1.986 1.194 19.035 1.00 0.00 C ATOM 489 O GLY A 34 2.490 2.191 19.553 1.00 0.00 O ATOM 0 H GLY A 34 -0.042 -0.612 17.732 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.327 1.639 17.762 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.041 1.711 19.474 1.00 0.00 H new ATOM 493 N ASP A 35 2.681 0.107 18.724 1.00 0.00 N ATOM 494 CA ASP A 35 4.113 0.014 18.977 1.00 0.00 C ATOM 495 C ASP A 35 4.902 -0.077 17.674 1.00 0.00 C ATOM 496 O ASP A 35 6.107 0.174 17.651 1.00 0.00 O ATOM 497 CB ASP A 35 4.418 -1.199 19.858 1.00 0.00 C ATOM 498 CG ASP A 35 3.834 -1.064 21.251 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.474 0.068 21.638 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.737 -2.091 21.956 1.00 0.00 O ATOM 0 H ASP A 35 2.275 -0.724 18.295 1.00 0.00 H new ATOM 0 HA ASP A 35 4.420 0.922 19.497 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.020 -2.097 19.386 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.498 -1.329 19.931 1.00 0.00 H new ATOM 505 N LYS A 36 4.220 -0.435 16.590 1.00 0.00 N ATOM 506 CA LYS A 36 4.866 -0.555 15.289 1.00 0.00 C ATOM 507 C LYS A 36 4.143 0.287 14.245 1.00 0.00 C ATOM 508 O LYS A 36 2.917 0.256 14.148 1.00 0.00 O ATOM 509 CB LYS A 36 4.905 -2.020 14.845 1.00 0.00 C ATOM 510 CG LYS A 36 6.239 -2.697 15.110 1.00 0.00 C ATOM 511 CD LYS A 36 6.248 -4.129 14.600 1.00 0.00 C ATOM 512 CE LYS A 36 7.556 -4.830 14.932 1.00 0.00 C ATOM 513 NZ LYS A 36 8.737 -4.053 14.464 1.00 0.00 N ATOM 0 H LYS A 36 3.222 -0.646 16.588 1.00 0.00 H new ATOM 0 HA LYS A 36 5.888 -0.187 15.383 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.118 -2.569 15.362 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.684 -2.075 13.779 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.037 -2.133 14.627 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.446 -2.689 16.180 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.417 -4.679 15.042 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.095 -4.133 13.521 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.624 -4.980 16.009 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.566 -5.818 14.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.482 -4.708 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.458 -3.442 13.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.097 -3.466 15.243 1.00 0.00 H new ATOM 527 N VAL A 37 4.912 1.041 13.469 1.00 0.00 N ATOM 528 CA VAL A 37 4.346 1.893 12.432 1.00 0.00 C ATOM 529 C VAL A 37 5.043 1.669 11.096 1.00 0.00 C ATOM 530 O VAL A 37 6.253 1.860 10.975 1.00 0.00 O ATOM 531 CB VAL A 37 4.451 3.382 12.812 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.694 4.243 11.811 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.932 3.612 14.223 1.00 0.00 C ATOM 0 H VAL A 37 5.929 1.079 13.539 1.00 0.00 H new ATOM 0 HA VAL A 37 3.294 1.623 12.338 1.00 0.00 H new ATOM 0 HB VAL A 37 5.502 3.671 12.785 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.779 5.292 12.095 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.117 4.101 10.816 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.643 3.953 11.803 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.014 4.670 14.473 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.888 3.306 14.281 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.522 3.026 14.928 1.00 0.00 H new ATOM 543 N HIS A 38 4.269 1.270 10.093 1.00 0.00 N ATOM 544 CA HIS A 38 4.812 1.024 8.760 1.00 0.00 C ATOM 545 C HIS A 38 4.363 2.097 7.783 1.00 0.00 C ATOM 546 O HIS A 38 3.230 2.568 7.834 1.00 0.00 O ATOM 547 CB HIS A 38 4.392 -0.344 8.238 1.00 0.00 C ATOM 548 CG HIS A 38 5.135 -0.768 7.008 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.917 -1.904 6.951 1.00 0.00 N ATOM 550 CD2 HIS A 38 5.205 -0.205 5.779 1.00 0.00 C ATOM 551 CE1 HIS A 38 6.437 -2.017 5.742 1.00 0.00 C ATOM 552 NE2 HIS A 38 6.020 -1.000 5.012 1.00 0.00 N ATOM 0 H HIS A 38 3.265 1.110 10.176 1.00 0.00 H new ATOM 0 HA HIS A 38 5.898 1.051 8.844 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.548 -1.086 9.021 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.324 -0.329 8.021 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.711 0.701 5.461 1.00 0.00 H new ATOM 0 HE1 HIS A 38 7.092 -2.808 5.408 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.264 -0.832 4.036 1.00 0.00 H new ATOM 561 N THR A 39 5.262 2.475 6.896 1.00 0.00 N ATOM 562 CA THR A 39 4.970 3.495 5.895 1.00 0.00 C ATOM 563 C THR A 39 5.182 2.947 4.487 1.00 0.00 C ATOM 564 O THR A 39 6.198 2.312 4.204 1.00 0.00 O ATOM 565 CB THR A 39 5.852 4.724 6.115 1.00 0.00 C ATOM 566 OG1 THR A 39 5.773 5.162 7.459 1.00 0.00 O ATOM 567 CG2 THR A 39 5.481 5.893 5.228 1.00 0.00 C ATOM 0 H THR A 39 6.206 2.092 6.844 1.00 0.00 H new ATOM 0 HA THR A 39 3.925 3.785 6.001 1.00 0.00 H new ATOM 0 HB THR A 39 6.863 4.404 5.862 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.345 5.948 7.581 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.146 6.732 5.435 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.579 5.602 4.182 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.451 6.188 5.427 1.00 0.00 H new ATOM 575 N VAL A 40 4.218 3.197 3.610 1.00 0.00 N ATOM 576 CA VAL A 40 4.298 2.727 2.231 1.00 0.00 C ATOM 577 C VAL A 40 4.435 3.893 1.260 1.00 0.00 C ATOM 578 O VAL A 40 3.706 4.880 1.353 1.00 0.00 O ATOM 579 CB VAL A 40 3.057 1.900 1.845 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.236 1.271 0.472 1.00 0.00 C ATOM 581 CG2 VAL A 40 2.772 0.836 2.894 1.00 0.00 C ATOM 0 H VAL A 40 3.371 3.722 3.828 1.00 0.00 H new ATOM 0 HA VAL A 40 5.183 2.094 2.165 1.00 0.00 H new ATOM 0 HB VAL A 40 2.199 2.571 1.801 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.348 0.691 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.382 2.055 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.107 0.615 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.892 0.264 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.629 0.167 2.976 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.591 1.314 3.857 1.00 0.00 H new ATOM 591 N VAL A 41 5.371 3.771 0.324 1.00 0.00 N ATOM 592 CA VAL A 41 5.594 4.816 -0.668 1.00 0.00 C ATOM 593 C VAL A 41 4.667 4.627 -1.863 1.00 0.00 C ATOM 594 O VAL A 41 4.786 3.657 -2.608 1.00 0.00 O ATOM 595 CB VAL A 41 7.056 4.828 -1.159 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.369 6.133 -1.876 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.016 4.609 0.002 1.00 0.00 C ATOM 0 H VAL A 41 5.985 2.962 0.232 1.00 0.00 H new ATOM 0 HA VAL A 41 5.380 5.769 -0.185 1.00 0.00 H new ATOM 0 HB VAL A 41 7.185 4.009 -1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.405 6.123 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.707 6.244 -2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.219 6.969 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.042 4.621 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.885 5.403 0.737 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.809 3.646 0.468 1.00 0.00 H new ATOM 607 N LEU A 42 3.734 5.558 -2.031 1.00 0.00 N ATOM 608 CA LEU A 42 2.772 5.494 -3.126 1.00 0.00 C ATOM 609 C LEU A 42 3.423 5.808 -4.472 1.00 0.00 C ATOM 610 O LEU A 42 2.819 5.590 -5.523 1.00 0.00 O ATOM 611 CB LEU A 42 1.616 6.462 -2.864 1.00 0.00 C ATOM 612 CG LEU A 42 1.023 6.393 -1.455 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.189 7.302 -1.344 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.652 4.960 -1.102 1.00 0.00 C ATOM 0 H LEU A 42 3.623 6.368 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 42 2.390 4.474 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.965 7.479 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.824 6.263 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 42 1.776 6.736 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.598 7.241 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.107 8.330 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.946 6.988 -2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.232 4.930 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.085 4.589 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.543 4.333 -1.142 1.00 0.00 H new ATOM 626 N SER A 43 4.650 6.318 -4.442 1.00 0.00 N ATOM 627 CA SER A 43 5.364 6.654 -5.667 1.00 0.00 C ATOM 628 C SER A 43 5.946 5.401 -6.312 1.00 0.00 C ATOM 629 O SER A 43 6.139 5.349 -7.527 1.00 0.00 O ATOM 630 CB SER A 43 6.481 7.658 -5.378 1.00 0.00 C ATOM 631 OG SER A 43 7.523 7.059 -4.628 1.00 0.00 O ATOM 0 H SER A 43 5.169 6.507 -3.585 1.00 0.00 H new ATOM 0 HA SER A 43 4.654 7.106 -6.359 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.879 8.044 -6.316 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.077 8.509 -4.830 1.00 0.00 H new ATOM 0 HG SER A 43 8.292 7.666 -4.594 1.00 0.00 H new ATOM 637 N THR A 44 6.221 4.392 -5.492 1.00 0.00 N ATOM 638 CA THR A 44 6.780 3.143 -5.988 1.00 0.00 C ATOM 639 C THR A 44 5.676 2.190 -6.442 1.00 0.00 C ATOM 640 O THR A 44 5.915 1.285 -7.242 1.00 0.00 O ATOM 641 CB THR A 44 7.643 2.476 -4.913 1.00 0.00 C ATOM 642 OG1 THR A 44 8.416 1.429 -5.471 1.00 0.00 O ATOM 643 CG2 THR A 44 6.842 1.895 -3.767 1.00 0.00 C ATOM 0 H THR A 44 6.066 4.416 -4.484 1.00 0.00 H new ATOM 0 HA THR A 44 7.407 3.375 -6.849 1.00 0.00 H new ATOM 0 HB THR A 44 8.276 3.272 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.962 1.016 -4.770 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.519 1.439 -3.044 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.273 2.688 -3.282 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.156 1.139 -4.149 1.00 0.00 H new ATOM 651 N ILE A 45 4.471 2.398 -5.927 1.00 0.00 N ATOM 652 CA ILE A 45 3.332 1.558 -6.279 1.00 0.00 C ATOM 653 C ILE A 45 3.013 1.657 -7.765 1.00 0.00 C ATOM 654 O ILE A 45 2.280 2.548 -8.196 1.00 0.00 O ATOM 655 CB ILE A 45 2.079 1.944 -5.468 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.398 1.963 -3.972 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.939 0.979 -5.760 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.974 0.660 -3.459 1.00 0.00 C ATOM 0 H ILE A 45 4.256 3.142 -5.263 1.00 0.00 H new ATOM 0 HA ILE A 45 3.610 0.532 -6.039 1.00 0.00 H new ATOM 0 HB ILE A 45 1.767 2.945 -5.766 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.105 2.768 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.488 2.192 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.062 1.266 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.698 1.012 -6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.240 -0.033 -5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.176 0.747 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.260 -0.146 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.902 0.440 -3.987 1.00 0.00 H new ATOM 670 N ASP A 46 3.562 0.731 -8.543 1.00 0.00 N ATOM 671 CA ASP A 46 3.329 0.709 -9.981 1.00 0.00 C ATOM 672 C ASP A 46 1.851 0.493 -10.285 1.00 0.00 C ATOM 673 O ASP A 46 1.339 0.972 -11.296 1.00 0.00 O ATOM 674 CB ASP A 46 4.163 -0.393 -10.637 1.00 0.00 C ATOM 675 CG ASP A 46 4.081 -0.358 -12.151 1.00 0.00 C ATOM 676 OD1 ASP A 46 4.817 0.442 -12.766 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.280 -1.128 -12.720 1.00 0.00 O ATOM 0 H ASP A 46 4.171 -0.013 -8.202 1.00 0.00 H new ATOM 0 HA ASP A 46 3.630 1.674 -10.390 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.204 -0.289 -10.330 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.821 -1.365 -10.280 1.00 0.00 H new ATOM 682 N LYS A 47 1.171 -0.231 -9.400 1.00 0.00 N ATOM 683 CA LYS A 47 -0.249 -0.512 -9.572 1.00 0.00 C ATOM 684 C LYS A 47 -0.880 -0.936 -8.250 1.00 0.00 C ATOM 685 O LYS A 47 -0.179 -1.281 -7.299 1.00 0.00 O ATOM 686 CB LYS A 47 -0.450 -1.610 -10.621 1.00 0.00 C ATOM 687 CG LYS A 47 -0.850 -1.081 -11.988 1.00 0.00 C ATOM 688 CD LYS A 47 -0.910 -2.196 -13.020 1.00 0.00 C ATOM 689 CE LYS A 47 -1.931 -3.256 -12.635 1.00 0.00 C ATOM 690 NZ LYS A 47 -2.361 -4.064 -13.810 1.00 0.00 N ATOM 0 H LYS A 47 1.581 -0.633 -8.557 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.737 0.401 -9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.473 -2.181 -10.718 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.217 -2.300 -10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.822 -0.593 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.135 -0.324 -12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.166 -1.779 -13.994 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.074 -2.655 -13.119 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.504 -3.914 -11.878 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.801 -2.776 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.057 -4.775 -13.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.792 -3.440 -14.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.535 -4.542 -14.223 1.00 0.00 H new ATOM 704 N LEU A 48 -2.207 -0.910 -8.199 1.00 0.00 N ATOM 705 CA LEU A 48 -2.930 -1.296 -6.994 1.00 0.00 C ATOM 706 C LEU A 48 -3.986 -2.352 -7.309 1.00 0.00 C ATOM 707 O LEU A 48 -4.711 -2.243 -8.297 1.00 0.00 O ATOM 708 CB LEU A 48 -3.587 -0.072 -6.351 1.00 0.00 C ATOM 709 CG LEU A 48 -4.760 0.524 -7.132 1.00 0.00 C ATOM 710 CD1 LEU A 48 -5.636 1.369 -6.221 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.251 1.350 -8.306 1.00 0.00 C ATOM 0 H LEU A 48 -2.803 -0.626 -8.977 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.214 -1.723 -6.292 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.937 -0.348 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.829 0.700 -6.220 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.365 -0.294 -7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.464 1.784 -6.795 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.028 0.748 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.045 2.181 -5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.097 1.767 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.623 2.160 -7.936 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.668 0.714 -8.972 1.00 0.00 H new ATOM 723 N GLN A 49 -4.063 -3.373 -6.463 1.00 0.00 N ATOM 724 CA GLN A 49 -5.029 -4.450 -6.652 1.00 0.00 C ATOM 725 C GLN A 49 -5.901 -4.617 -5.413 1.00 0.00 C ATOM 726 O GLN A 49 -5.437 -4.436 -4.288 1.00 0.00 O ATOM 727 CB GLN A 49 -4.308 -5.762 -6.965 1.00 0.00 C ATOM 728 CG GLN A 49 -3.418 -5.689 -8.195 1.00 0.00 C ATOM 729 CD GLN A 49 -4.192 -5.363 -9.457 1.00 0.00 C ATOM 730 OE1 GLN A 49 -5.216 -5.981 -9.747 1.00 0.00 O ATOM 731 NE2 GLN A 49 -3.706 -4.388 -10.216 1.00 0.00 N ATOM 0 H GLN A 49 -3.469 -3.478 -5.640 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.670 -4.188 -7.494 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.702 -6.048 -6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.049 -6.549 -7.109 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.650 -4.932 -8.039 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.904 -6.642 -8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.854 -3.902 -9.938 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.185 -4.125 -11.077 1.00 0.00 H new ATOM 740 N ALA A 50 -7.166 -4.961 -5.627 1.00 0.00 N ATOM 741 CA ALA A 50 -8.101 -5.150 -4.526 1.00 0.00 C ATOM 742 C ALA A 50 -8.957 -6.394 -4.736 1.00 0.00 C ATOM 743 O ALA A 50 -9.077 -6.895 -5.854 1.00 0.00 O ATOM 744 CB ALA A 50 -8.984 -3.922 -4.368 1.00 0.00 C ATOM 0 H ALA A 50 -7.567 -5.114 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.523 -5.290 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.678 -4.077 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.362 -3.051 -4.161 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.546 -3.757 -5.287 1.00 0.00 H new ATOM 750 N THR A 51 -9.547 -6.889 -3.654 1.00 0.00 N ATOM 751 CA THR A 51 -10.393 -8.077 -3.721 1.00 0.00 C ATOM 752 C THR A 51 -11.700 -7.774 -4.448 1.00 0.00 C ATOM 753 O THR A 51 -12.221 -6.661 -4.368 1.00 0.00 O ATOM 754 CB THR A 51 -10.687 -8.597 -2.313 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.781 -7.527 -1.391 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.636 -9.557 -1.797 1.00 0.00 C ATOM 0 H THR A 51 -9.456 -6.488 -2.721 1.00 0.00 H new ATOM 0 HA THR A 51 -9.857 -8.844 -4.280 1.00 0.00 H new ATOM 0 HB THR A 51 -11.634 -9.130 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.709 -7.215 -1.345 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.906 -9.887 -0.794 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.575 -10.421 -2.459 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.669 -9.055 -1.766 1.00 0.00 H new ATOM 764 N PRO A 52 -12.252 -8.764 -5.171 1.00 0.00 N ATOM 765 CA PRO A 52 -13.505 -8.596 -5.915 1.00 0.00 C ATOM 766 C PRO A 52 -14.712 -8.453 -4.994 1.00 0.00 C ATOM 767 O PRO A 52 -14.701 -8.931 -3.861 1.00 0.00 O ATOM 768 CB PRO A 52 -13.608 -9.885 -6.735 1.00 0.00 C ATOM 769 CG PRO A 52 -12.819 -10.886 -5.969 1.00 0.00 C ATOM 770 CD PRO A 52 -11.695 -10.123 -5.322 1.00 0.00 C ATOM 0 HA PRO A 52 -13.500 -7.689 -6.520 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.645 -10.201 -6.847 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.206 -9.749 -7.739 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.438 -11.379 -5.219 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.434 -11.665 -6.627 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.418 -10.554 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.798 -10.124 -5.942 1.00 0.00 H new ATOM 778 N ALA A 53 -15.752 -7.791 -5.492 1.00 0.00 N ATOM 779 CA ALA A 53 -16.970 -7.584 -4.718 1.00 0.00 C ATOM 780 C ALA A 53 -17.667 -8.908 -4.410 1.00 0.00 C ATOM 781 O ALA A 53 -18.509 -8.980 -3.516 1.00 0.00 O ATOM 782 CB ALA A 53 -17.913 -6.652 -5.461 1.00 0.00 C ATOM 0 H ALA A 53 -15.775 -7.389 -6.429 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.690 -7.126 -3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.819 -6.506 -4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.424 -5.691 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.173 -7.090 -6.424 1.00 0.00 H new ATOM 788 N SER A 54 -17.313 -9.952 -5.155 1.00 0.00 N ATOM 789 CA SER A 54 -17.909 -11.269 -4.955 1.00 0.00 C ATOM 790 C SER A 54 -17.117 -12.091 -3.938 1.00 0.00 C ATOM 791 O SER A 54 -17.478 -13.228 -3.635 1.00 0.00 O ATOM 792 CB SER A 54 -17.981 -12.020 -6.285 1.00 0.00 C ATOM 793 OG SER A 54 -18.875 -11.386 -7.183 1.00 0.00 O ATOM 0 H SER A 54 -16.618 -9.911 -5.901 1.00 0.00 H new ATOM 0 HA SER A 54 -18.916 -11.124 -4.564 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.988 -12.071 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.304 -13.046 -6.109 1.00 0.00 H new ATOM 0 HG SER A 54 -18.901 -11.885 -8.026 1.00 0.00 H new ATOM 799 N SER A 55 -16.041 -11.513 -3.412 1.00 0.00 N ATOM 800 CA SER A 55 -15.212 -12.195 -2.430 1.00 0.00 C ATOM 801 C SER A 55 -15.420 -11.602 -1.045 1.00 0.00 C ATOM 802 O SER A 55 -15.068 -10.451 -0.791 1.00 0.00 O ATOM 803 CB SER A 55 -13.735 -12.099 -2.822 1.00 0.00 C ATOM 804 OG SER A 55 -13.400 -13.078 -3.791 1.00 0.00 O ATOM 0 H SER A 55 -15.725 -10.573 -3.651 1.00 0.00 H new ATOM 0 HA SER A 55 -15.506 -13.244 -2.407 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.524 -11.105 -3.217 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.111 -12.230 -1.938 1.00 0.00 H new ATOM 0 HG SER A 55 -14.137 -13.171 -4.430 1.00 0.00 H new ATOM 810 N GLU A 56 -15.987 -12.400 -0.147 1.00 0.00 N ATOM 811 CA GLU A 56 -16.235 -11.957 1.218 1.00 0.00 C ATOM 812 C GLU A 56 -14.935 -11.528 1.891 1.00 0.00 C ATOM 813 O GLU A 56 -14.948 -10.810 2.891 1.00 0.00 O ATOM 814 CB GLU A 56 -16.897 -13.071 2.027 1.00 0.00 C ATOM 815 CG GLU A 56 -18.264 -13.477 1.498 1.00 0.00 C ATOM 816 CD GLU A 56 -18.938 -14.521 2.367 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.542 -15.703 2.287 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.861 -14.157 3.125 1.00 0.00 O ATOM 0 H GLU A 56 -16.283 -13.357 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.907 -11.099 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -16.244 -13.944 2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.999 -12.745 3.062 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.902 -12.595 1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.157 -13.866 0.486 1.00 0.00 H new ATOM 825 N LYS A 57 -13.811 -11.970 1.332 1.00 0.00 N ATOM 826 CA LYS A 57 -12.503 -11.629 1.878 1.00 0.00 C ATOM 827 C LYS A 57 -12.014 -10.296 1.323 1.00 0.00 C ATOM 828 O LYS A 57 -11.796 -10.153 0.120 1.00 0.00 O ATOM 829 CB LYS A 57 -11.490 -12.731 1.554 1.00 0.00 C ATOM 830 CG LYS A 57 -11.824 -14.068 2.195 1.00 0.00 C ATOM 831 CD LYS A 57 -10.731 -15.096 1.937 1.00 0.00 C ATOM 832 CE LYS A 57 -11.114 -16.463 2.480 1.00 0.00 C ATOM 833 NZ LYS A 57 -10.130 -17.510 2.092 1.00 0.00 N ATOM 0 H LYS A 57 -13.781 -12.564 0.503 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.600 -11.539 2.960 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.437 -12.858 0.473 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.501 -12.414 1.887 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.955 -13.936 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.772 -14.435 1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.543 -15.168 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.802 -14.766 2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.184 -16.415 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.101 -16.737 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.427 -18.427 2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.082 -17.574 1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.193 -17.262 2.468 1.00 0.00 H new ATOM 847 N MET A 58 -11.844 -9.319 2.209 1.00 0.00 N ATOM 848 CA MET A 58 -11.383 -7.995 1.808 1.00 0.00 C ATOM 849 C MET A 58 -9.869 -7.876 1.965 1.00 0.00 C ATOM 850 O MET A 58 -9.348 -7.902 3.080 1.00 0.00 O ATOM 851 CB MET A 58 -12.081 -6.917 2.637 1.00 0.00 C ATOM 852 CG MET A 58 -13.570 -6.800 2.352 1.00 0.00 C ATOM 853 SD MET A 58 -14.590 -7.157 3.796 1.00 0.00 S ATOM 854 CE MET A 58 -16.113 -7.683 3.014 1.00 0.00 C ATOM 0 H MET A 58 -12.019 -9.420 3.209 1.00 0.00 H new ATOM 0 HA MET A 58 -11.633 -7.852 0.757 1.00 0.00 H new ATOM 0 HB2 MET A 58 -11.938 -7.135 3.695 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.605 -5.956 2.442 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.789 -5.792 1.998 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.836 -7.485 1.547 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.946 -7.104 3.413 1.00 0.00 H new ATOM 0 HE2 MET A 58 -16.043 -7.524 1.938 1.00 0.00 H new ATOM 0 HE3 MET A 58 -16.278 -8.742 3.214 1.00 0.00 H new ATOM 864 N MET A 59 -9.172 -7.748 0.842 1.00 0.00 N ATOM 865 CA MET A 59 -7.718 -7.627 0.855 1.00 0.00 C ATOM 866 C MET A 59 -7.229 -6.816 -0.341 1.00 0.00 C ATOM 867 O MET A 59 -7.654 -7.045 -1.474 1.00 0.00 O ATOM 868 CB MET A 59 -7.072 -9.012 0.844 1.00 0.00 C ATOM 869 CG MET A 59 -7.552 -9.916 1.968 1.00 0.00 C ATOM 870 SD MET A 59 -6.619 -11.457 2.068 1.00 0.00 S ATOM 871 CE MET A 59 -5.058 -10.864 2.717 1.00 0.00 C ATOM 0 H MET A 59 -9.589 -7.725 -0.089 1.00 0.00 H new ATOM 0 HA MET A 59 -7.429 -7.105 1.767 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.280 -9.493 -0.112 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.990 -8.900 0.916 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.471 -9.385 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.608 -10.144 1.820 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.265 -11.065 1.997 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.122 -9.791 2.896 1.00 0.00 H new ATOM 0 HE3 MET A 59 -4.836 -11.375 3.654 1.00 0.00 H new ATOM 881 N LEU A 60 -6.331 -5.868 -0.085 1.00 0.00 N ATOM 882 CA LEU A 60 -5.786 -5.028 -1.144 1.00 0.00 C ATOM 883 C LEU A 60 -4.289 -5.271 -1.314 1.00 0.00 C ATOM 884 O LEU A 60 -3.528 -5.221 -0.346 1.00 0.00 O ATOM 885 CB LEU A 60 -6.043 -3.552 -0.834 1.00 0.00 C ATOM 886 CG LEU A 60 -6.017 -2.620 -2.046 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.749 -1.324 -1.737 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.585 -2.339 -2.470 1.00 0.00 C ATOM 0 H LEU A 60 -5.967 -5.664 0.846 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.286 -5.289 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.014 -3.463 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.295 -3.212 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.529 -3.113 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.720 -0.673 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.786 -1.544 -1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.266 -0.825 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.585 -1.674 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.048 -1.866 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.093 -3.275 -2.733 1.00 0.00 H new ATOM 900 N ARG A 61 -3.870 -5.535 -2.548 1.00 0.00 N ATOM 901 CA ARG A 61 -2.463 -5.789 -2.843 1.00 0.00 C ATOM 902 C ARG A 61 -1.848 -4.626 -3.613 1.00 0.00 C ATOM 903 O ARG A 61 -2.463 -4.079 -4.528 1.00 0.00 O ATOM 904 CB ARG A 61 -2.312 -7.084 -3.643 1.00 0.00 C ATOM 905 CG ARG A 61 -0.864 -7.490 -3.872 1.00 0.00 C ATOM 906 CD ARG A 61 -0.765 -8.722 -4.758 1.00 0.00 C ATOM 907 NE ARG A 61 -1.423 -9.882 -4.161 1.00 0.00 N ATOM 908 CZ ARG A 61 -1.260 -11.130 -4.591 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.461 -11.386 -5.620 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.896 -12.127 -3.992 1.00 0.00 N ATOM 0 H ARG A 61 -4.485 -5.579 -3.361 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.934 -5.893 -1.896 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.828 -7.888 -3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.805 -6.965 -4.608 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.322 -6.664 -4.333 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.385 -7.690 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.216 -8.508 -5.727 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.284 -8.954 -4.939 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.044 -9.725 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.032 -10.624 -6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.340 -12.345 -5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.511 -11.937 -3.201 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.770 -13.084 -4.322 1.00 0.00 H new ATOM 924 N LEU A 62 -0.629 -4.257 -3.236 1.00 0.00 N ATOM 925 CA LEU A 62 0.074 -3.159 -3.889 1.00 0.00 C ATOM 926 C LEU A 62 1.374 -3.644 -4.521 1.00 0.00 C ATOM 927 O LEU A 62 2.194 -4.289 -3.867 1.00 0.00 O ATOM 928 CB LEU A 62 0.361 -2.040 -2.884 1.00 0.00 C ATOM 929 CG LEU A 62 -0.443 -0.759 -3.106 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.930 -1.024 -2.928 1.00 0.00 C ATOM 931 CD2 LEU A 62 0.023 0.334 -2.157 1.00 0.00 C ATOM 0 H LEU A 62 -0.107 -4.702 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.566 -2.769 -4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.157 -2.411 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.423 -1.798 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.275 -0.420 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.486 -0.101 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.255 -1.774 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.116 -1.387 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.560 1.238 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.114 0.004 -1.127 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.078 0.544 -2.333 1.00 0.00 H new ATOM 943 N ILE A 63 1.551 -3.331 -5.799 1.00 0.00 N ATOM 944 CA ILE A 63 2.747 -3.735 -6.530 1.00 0.00 C ATOM 945 C ILE A 63 3.691 -2.556 -6.742 1.00 0.00 C ATOM 946 O ILE A 63 3.259 -1.456 -7.092 1.00 0.00 O ATOM 947 CB ILE A 63 2.386 -4.340 -7.900 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.290 -5.394 -7.738 1.00 0.00 C ATOM 949 CG2 ILE A 63 3.618 -4.943 -8.555 1.00 0.00 C ATOM 950 CD1 ILE A 63 -0.109 -4.826 -7.822 1.00 0.00 C ATOM 0 H ILE A 63 0.880 -2.798 -6.352 1.00 0.00 H new ATOM 0 HA ILE A 63 3.247 -4.490 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 63 2.010 -3.546 -8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.412 -6.155 -8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.415 -5.892 -6.776 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.346 -5.366 -9.522 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.371 -4.168 -8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.022 -5.728 -7.916 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.836 -5.629 -7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.249 -4.086 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -0.252 -4.353 -8.794 1.00 0.00 H new ATOM 962 N GLY A 64 4.981 -2.794 -6.529 1.00 0.00 N ATOM 963 CA GLY A 64 5.968 -1.744 -6.702 1.00 0.00 C ATOM 964 C GLY A 64 6.541 -1.710 -8.107 1.00 0.00 C ATOM 965 O GLY A 64 6.402 -2.670 -8.864 1.00 0.00 O ATOM 0 H GLY A 64 5.361 -3.695 -6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.512 -0.780 -6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.777 -1.889 -5.987 1.00 0.00 H new ATOM 969 N LYS A 65 7.183 -0.599 -8.454 1.00 0.00 N ATOM 970 CA LYS A 65 7.775 -0.438 -9.777 1.00 0.00 C ATOM 971 C LYS A 65 9.104 -1.179 -9.882 1.00 0.00 C ATOM 972 O LYS A 65 9.587 -1.757 -8.909 1.00 0.00 O ATOM 973 CB LYS A 65 7.985 1.044 -10.086 1.00 0.00 C ATOM 974 CG LYS A 65 6.831 1.669 -10.847 1.00 0.00 C ATOM 975 CD LYS A 65 7.082 3.140 -11.134 1.00 0.00 C ATOM 976 CE LYS A 65 5.892 3.784 -11.827 1.00 0.00 C ATOM 977 NZ LYS A 65 6.073 3.843 -13.303 1.00 0.00 N ATOM 0 H LYS A 65 7.307 0.204 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 65 7.085 -0.865 -10.505 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.130 1.586 -9.151 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.900 1.161 -10.667 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.681 1.135 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.913 1.562 -10.269 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.288 3.664 -10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.968 3.243 -11.760 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.988 3.221 -11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.748 4.792 -11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.240 4.289 -13.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.921 4.402 -13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.185 2.879 -13.678 1.00 0.00 H new ATOM 991 N VAL A 66 9.689 -1.150 -11.075 1.00 0.00 N ATOM 992 CA VAL A 66 10.964 -1.810 -11.322 1.00 0.00 C ATOM 993 C VAL A 66 11.966 -0.848 -11.947 1.00 0.00 C ATOM 994 O VAL A 66 11.649 -0.142 -12.905 1.00 0.00 O ATOM 995 CB VAL A 66 10.796 -3.031 -12.248 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.101 -3.805 -12.356 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.672 -3.931 -11.751 1.00 0.00 C ATOM 0 H VAL A 66 9.298 -0.674 -11.888 1.00 0.00 H new ATOM 0 HA VAL A 66 11.339 -2.146 -10.355 1.00 0.00 H new ATOM 0 HB VAL A 66 10.530 -2.673 -13.243 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.962 -4.663 -13.014 1.00 0.00 H new ATOM 0 HG12 VAL A 66 12.876 -3.156 -12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.402 -4.151 -11.367 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.569 -4.787 -12.418 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.904 -4.281 -10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.737 -3.370 -11.734 1.00 0.00 H new ATOM 1007 N ASP A 67 13.177 -0.821 -11.402 1.00 0.00 N ATOM 1008 CA ASP A 67 14.225 0.057 -11.910 1.00 0.00 C ATOM 1009 C ASP A 67 15.538 -0.168 -11.166 1.00 0.00 C ATOM 1010 O ASP A 67 16.251 0.782 -10.842 1.00 0.00 O ATOM 1011 CB ASP A 67 13.797 1.522 -11.782 1.00 0.00 C ATOM 1012 CG ASP A 67 14.783 2.473 -12.431 1.00 0.00 C ATOM 1013 OD1 ASP A 67 15.637 2.001 -13.213 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.701 3.689 -12.160 1.00 0.00 O ATOM 0 H ASP A 67 13.458 -1.397 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 67 14.382 -0.180 -12.962 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.816 1.652 -12.240 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.693 1.776 -10.727 1.00 0.00 H new ATOM 1019 N GLU A 68 15.851 -1.431 -10.898 1.00 0.00 N ATOM 1020 CA GLU A 68 17.079 -1.779 -10.192 1.00 0.00 C ATOM 1021 C GLU A 68 17.757 -2.981 -10.840 1.00 0.00 C ATOM 1022 O GLU A 68 18.300 -3.846 -10.153 1.00 0.00 O ATOM 1023 CB GLU A 68 16.781 -2.076 -8.721 1.00 0.00 C ATOM 1024 CG GLU A 68 16.187 -0.896 -7.969 1.00 0.00 C ATOM 1025 CD GLU A 68 15.967 -1.192 -6.498 1.00 0.00 C ATOM 1026 OE1 GLU A 68 16.053 -2.376 -6.110 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.707 -0.238 -5.734 1.00 0.00 O ATOM 0 H GLU A 68 15.273 -2.230 -11.158 1.00 0.00 H new ATOM 0 HA GLU A 68 17.757 -0.927 -10.252 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.091 -2.918 -8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.703 -2.384 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.850 -0.036 -8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.237 -0.620 -8.426 1.00 0.00 H new ATOM 1034 N SER A 69 17.722 -3.027 -12.166 1.00 0.00 N ATOM 1035 CA SER A 69 18.333 -4.123 -12.910 1.00 0.00 C ATOM 1036 C SER A 69 19.824 -3.883 -13.111 1.00 0.00 C ATOM 1037 O SER A 69 20.602 -4.825 -13.259 1.00 0.00 O ATOM 1038 CB SER A 69 17.644 -4.297 -14.265 1.00 0.00 C ATOM 1039 OG SER A 69 17.930 -3.209 -15.126 1.00 0.00 O ATOM 0 H SER A 69 17.277 -2.318 -12.749 1.00 0.00 H new ATOM 0 HA SER A 69 18.207 -5.036 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.974 -5.227 -14.727 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.567 -4.377 -14.121 1.00 0.00 H new ATOM 0 HG SER A 69 17.480 -3.345 -15.986 1.00 0.00 H new ATOM 1045 N LYS A 70 20.215 -2.616 -13.114 1.00 0.00 N ATOM 1046 CA LYS A 70 21.613 -2.244 -13.294 1.00 0.00 C ATOM 1047 C LYS A 70 22.402 -2.450 -12.005 1.00 0.00 C ATOM 1048 O LYS A 70 23.570 -2.840 -12.035 1.00 0.00 O ATOM 1049 CB LYS A 70 21.723 -0.788 -13.747 1.00 0.00 C ATOM 1050 CG LYS A 70 21.139 -0.535 -15.126 1.00 0.00 C ATOM 1051 CD LYS A 70 21.381 0.896 -15.580 1.00 0.00 C ATOM 1052 CE LYS A 70 20.715 1.177 -16.918 1.00 0.00 C ATOM 1053 NZ LYS A 70 20.389 2.620 -17.084 1.00 0.00 N ATOM 0 H LYS A 70 19.582 -1.825 -12.993 1.00 0.00 H new ATOM 0 HA LYS A 70 22.037 -2.888 -14.064 1.00 0.00 H new ATOM 0 HB2 LYS A 70 21.214 -0.152 -13.023 1.00 0.00 H new ATOM 0 HB3 LYS A 70 22.773 -0.494 -13.747 1.00 0.00 H new ATOM 0 HG2 LYS A 70 21.584 -1.225 -15.843 1.00 0.00 H new ATOM 0 HG3 LYS A 70 20.068 -0.737 -15.111 1.00 0.00 H new ATOM 0 HD2 LYS A 70 20.997 1.587 -14.829 1.00 0.00 H new ATOM 0 HD3 LYS A 70 22.453 1.077 -15.661 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.374 0.859 -17.726 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.802 0.587 -17.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 19.937 2.770 -18.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.740 2.918 -16.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 21.263 3.182 -17.031 1.00 0.00 H new ATOM 1067 N LYS A 71 21.756 -2.185 -10.875 1.00 0.00 N ATOM 1068 CA LYS A 71 22.397 -2.341 -9.574 1.00 0.00 C ATOM 1069 C LYS A 71 22.134 -3.728 -8.999 1.00 0.00 C ATOM 1070 O LYS A 71 20.983 -4.124 -8.809 1.00 0.00 O ATOM 1071 CB LYS A 71 21.893 -1.271 -8.604 1.00 0.00 C ATOM 1072 CG LYS A 71 22.202 0.150 -9.053 1.00 0.00 C ATOM 1073 CD LYS A 71 21.018 1.077 -8.823 1.00 0.00 C ATOM 1074 CE LYS A 71 21.466 2.443 -8.328 1.00 0.00 C ATOM 1075 NZ LYS A 71 21.311 2.578 -6.854 1.00 0.00 N ATOM 0 H LYS A 71 20.790 -1.861 -10.833 1.00 0.00 H new ATOM 0 HA LYS A 71 23.472 -2.223 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 71 20.815 -1.379 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 71 22.341 -1.440 -7.625 1.00 0.00 H new ATOM 0 HG2 LYS A 71 23.069 0.524 -8.509 1.00 0.00 H new ATOM 0 HG3 LYS A 71 22.465 0.149 -10.111 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.459 1.191 -9.751 1.00 0.00 H new ATOM 0 HD3 LYS A 71 20.341 0.630 -8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.509 2.603 -8.599 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.884 3.218 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.627 3.523 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.311 2.451 -6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 21.886 1.855 -6.377 1.00 0.00 H new ATOM 1089 N ARG A 72 23.206 -4.462 -8.723 1.00 0.00 N ATOM 1090 CA ARG A 72 23.090 -5.805 -8.168 1.00 0.00 C ATOM 1091 C ARG A 72 24.072 -6.005 -7.018 1.00 0.00 C ATOM 1092 O ARG A 72 25.258 -5.696 -7.139 1.00 0.00 O ATOM 1093 CB ARG A 72 23.341 -6.852 -9.255 1.00 0.00 C ATOM 1094 CG ARG A 72 22.292 -6.848 -10.356 1.00 0.00 C ATOM 1095 CD ARG A 72 22.521 -7.976 -11.348 1.00 0.00 C ATOM 1096 NE ARG A 72 21.638 -7.875 -12.507 1.00 0.00 N ATOM 1097 CZ ARG A 72 21.748 -8.636 -13.593 1.00 0.00 C ATOM 1098 NH1 ARG A 72 22.703 -9.553 -13.674 1.00 0.00 N ATOM 1099 NH2 ARG A 72 20.901 -8.478 -14.601 1.00 0.00 N ATOM 0 H ARG A 72 24.165 -4.150 -8.875 1.00 0.00 H new ATOM 0 HA ARG A 72 22.077 -5.926 -7.783 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.321 -6.676 -9.698 1.00 0.00 H new ATOM 0 HB3 ARG A 72 23.371 -7.840 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.300 -6.946 -9.915 1.00 0.00 H new ATOM 0 HG3 ARG A 72 22.316 -5.892 -10.879 1.00 0.00 H new ATOM 0 HD2 ARG A 72 23.559 -7.961 -11.681 1.00 0.00 H new ATOM 0 HD3 ARG A 72 22.360 -8.933 -10.852 1.00 0.00 H new ATOM 0 HE ARG A 72 20.892 -7.179 -12.482 1.00 0.00 H new ATOM 0 HH11 ARG A 72 23.357 -9.677 -12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 72 22.783 -10.134 -14.509 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.166 -7.773 -14.544 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.985 -9.061 -15.434 1.00 0.00 H new ATOM 1113 N LYS A 73 23.571 -6.524 -5.903 1.00 0.00 N ATOM 1114 CA LYS A 73 24.403 -6.765 -4.730 1.00 0.00 C ATOM 1115 C LYS A 73 24.611 -8.260 -4.508 1.00 0.00 C ATOM 1116 O LYS A 73 23.940 -9.089 -5.125 1.00 0.00 O ATOM 1117 CB LYS A 73 23.765 -6.137 -3.488 1.00 0.00 C ATOM 1118 CG LYS A 73 24.185 -4.696 -3.252 1.00 0.00 C ATOM 1119 CD LYS A 73 23.481 -3.748 -4.209 1.00 0.00 C ATOM 1120 CE LYS A 73 23.946 -2.313 -4.015 1.00 0.00 C ATOM 1121 NZ LYS A 73 23.502 -1.757 -2.706 1.00 0.00 N ATOM 0 H LYS A 73 22.592 -6.786 -5.786 1.00 0.00 H new ATOM 0 HA LYS A 73 25.375 -6.303 -4.904 1.00 0.00 H new ATOM 0 HB2 LYS A 73 22.680 -6.179 -3.586 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.029 -6.732 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 73 23.957 -4.413 -2.224 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.264 -4.605 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 73 23.673 -4.058 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 73 22.404 -3.807 -4.054 1.00 0.00 H new ATOM 0 HE2 LYS A 73 25.034 -2.272 -4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 73 23.558 -1.693 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 23.750 -0.748 -2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 22.472 -1.865 -2.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 23.974 -2.269 -1.933 1.00 0.00 H new ATOM 1135 N ASP A 74 25.542 -8.598 -3.622 1.00 0.00 N ATOM 1136 CA ASP A 74 25.839 -9.995 -3.317 1.00 0.00 C ATOM 1137 C ASP A 74 26.929 -10.105 -2.262 1.00 0.00 C ATOM 1138 O ASP A 74 26.898 -10.991 -1.408 1.00 0.00 O ATOM 1139 CB ASP A 74 26.263 -10.739 -4.585 1.00 0.00 C ATOM 1140 CG ASP A 74 25.793 -12.181 -4.594 1.00 0.00 C ATOM 1141 OD1 ASP A 74 24.607 -12.416 -4.904 1.00 0.00 O ATOM 1142 OD2 ASP A 74 26.611 -13.073 -4.289 1.00 0.00 O ATOM 0 H ASP A 74 26.104 -7.924 -3.102 1.00 0.00 H new ATOM 0 HA ASP A 74 24.932 -10.452 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 74 25.861 -10.223 -5.457 1.00 0.00 H new ATOM 0 HB3 ASP A 74 27.349 -10.713 -4.672 1.00 0.00 H new ATOM 1147 N ASN A 75 27.889 -9.197 -2.330 1.00 0.00 N ATOM 1148 CA ASN A 75 28.999 -9.179 -1.384 1.00 0.00 C ATOM 1149 C ASN A 75 28.497 -9.038 0.050 1.00 0.00 C ATOM 1150 O ASN A 75 29.197 -9.391 1.000 1.00 0.00 O ATOM 1151 CB ASN A 75 29.960 -8.035 -1.715 1.00 0.00 C ATOM 1152 CG ASN A 75 30.625 -8.212 -3.066 1.00 0.00 C ATOM 1153 OD1 ASN A 75 30.638 -9.308 -3.626 1.00 0.00 O ATOM 1154 ND2 ASN A 75 31.182 -7.130 -3.597 1.00 0.00 N ATOM 0 H ASN A 75 27.924 -8.459 -3.033 1.00 0.00 H new ATOM 0 HA ASN A 75 29.529 -10.128 -1.470 1.00 0.00 H new ATOM 0 HB2 ASN A 75 29.415 -7.091 -1.702 1.00 0.00 H new ATOM 0 HB3 ASN A 75 30.726 -7.972 -0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 75 31.644 -7.187 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 75 31.148 -6.241 -3.098 1.00 0.00 H new ATOM 1161 N GLU A 76 27.284 -8.519 0.199 1.00 0.00 N ATOM 1162 CA GLU A 76 26.691 -8.331 1.519 1.00 0.00 C ATOM 1163 C GLU A 76 25.761 -9.487 1.869 1.00 0.00 C ATOM 1164 O GLU A 76 24.705 -9.291 2.472 1.00 0.00 O ATOM 1165 CB GLU A 76 25.923 -7.008 1.572 1.00 0.00 C ATOM 1166 CG GLU A 76 26.803 -5.786 1.372 1.00 0.00 C ATOM 1167 CD GLU A 76 27.878 -5.660 2.434 1.00 0.00 C ATOM 1168 OE1 GLU A 76 27.742 -6.304 3.495 1.00 0.00 O ATOM 1169 OE2 GLU A 76 28.856 -4.917 2.205 1.00 0.00 O ATOM 0 H GLU A 76 26.692 -8.221 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 76 27.498 -8.305 2.251 1.00 0.00 H new ATOM 0 HB2 GLU A 76 25.148 -7.017 0.806 1.00 0.00 H new ATOM 0 HB3 GLU A 76 25.419 -6.929 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 76 27.273 -5.838 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 76 26.182 -4.890 1.381 1.00 0.00 H new ATOM 1176 N GLY A 77 26.163 -10.696 1.489 1.00 0.00 N ATOM 1177 CA GLY A 77 25.358 -11.869 1.773 1.00 0.00 C ATOM 1178 C GLY A 77 23.982 -11.800 1.138 1.00 0.00 C ATOM 1179 O GLY A 77 23.003 -12.274 1.712 1.00 0.00 O ATOM 0 H GLY A 77 27.032 -10.884 0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.877 -12.757 1.412 1.00 0.00 H new ATOM 0 HA3 GLY A 77 25.251 -11.979 2.852 1.00 0.00 H new ATOM 1183 N ASN A 78 23.909 -11.210 -0.051 1.00 0.00 N ATOM 1184 CA ASN A 78 22.644 -11.082 -0.763 1.00 0.00 C ATOM 1185 C ASN A 78 22.592 -12.033 -1.954 1.00 0.00 C ATOM 1186 O ASN A 78 23.117 -11.732 -3.025 1.00 0.00 O ATOM 1187 CB ASN A 78 22.444 -9.641 -1.237 1.00 0.00 C ATOM 1188 CG ASN A 78 22.292 -8.669 -0.083 1.00 0.00 C ATOM 1189 OD1 ASN A 78 22.060 -9.072 1.057 1.00 0.00 O ATOM 1190 ND2 ASN A 78 22.423 -7.381 -0.374 1.00 0.00 N ATOM 0 H ASN A 78 24.711 -10.813 -0.541 1.00 0.00 H new ATOM 0 HA ASN A 78 21.841 -11.345 -0.075 1.00 0.00 H new ATOM 0 HB2 ASN A 78 23.294 -9.342 -1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.559 -9.589 -1.871 1.00 0.00 H new ATOM 0 HD21 ASN A 78 22.332 -6.680 0.361 1.00 0.00 H new ATOM 0 HD22 ASN A 78 22.615 -7.092 -1.333 1.00 0.00 H new ATOM 1197 N GLU A 79 21.954 -13.183 -1.758 1.00 0.00 N ATOM 1198 CA GLU A 79 21.834 -14.180 -2.816 1.00 0.00 C ATOM 1199 C GLU A 79 20.892 -13.699 -3.915 1.00 0.00 C ATOM 1200 O GLU A 79 21.098 -13.990 -5.094 1.00 0.00 O ATOM 1201 CB GLU A 79 21.329 -15.506 -2.240 1.00 0.00 C ATOM 1202 CG GLU A 79 19.916 -15.432 -1.687 1.00 0.00 C ATOM 1203 CD GLU A 79 19.483 -16.722 -1.017 1.00 0.00 C ATOM 1204 OE1 GLU A 79 20.196 -17.737 -1.161 1.00 0.00 O ATOM 1205 OE2 GLU A 79 18.429 -16.717 -0.346 1.00 0.00 O ATOM 0 H GLU A 79 21.513 -13.447 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 79 22.822 -14.332 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 79 21.366 -16.268 -3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.004 -15.828 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.854 -14.615 -0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.225 -15.198 -2.497 1.00 0.00 H new ATOM 1212 N VAL A 80 19.859 -12.960 -3.523 1.00 0.00 N ATOM 1213 CA VAL A 80 18.887 -12.439 -4.477 1.00 0.00 C ATOM 1214 C VAL A 80 18.569 -10.974 -4.194 1.00 0.00 C ATOM 1215 O VAL A 80 18.463 -10.563 -3.038 1.00 0.00 O ATOM 1216 CB VAL A 80 17.580 -13.257 -4.448 1.00 0.00 C ATOM 1217 CG1 VAL A 80 16.912 -13.158 -3.085 1.00 0.00 C ATOM 1218 CG2 VAL A 80 16.636 -12.798 -5.549 1.00 0.00 C ATOM 0 H VAL A 80 19.674 -12.709 -2.552 1.00 0.00 H new ATOM 0 HA VAL A 80 19.336 -12.523 -5.467 1.00 0.00 H new ATOM 0 HB VAL A 80 17.827 -14.303 -4.627 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.992 -13.743 -3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 80 17.586 -13.545 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 80 16.679 -12.115 -2.869 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.720 -13.387 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.396 -11.744 -5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.115 -12.933 -6.519 1.00 0.00 H new ATOM 1228 N VAL A 81 18.418 -10.190 -5.257 1.00 0.00 N ATOM 1229 CA VAL A 81 18.111 -8.772 -5.125 1.00 0.00 C ATOM 1230 C VAL A 81 16.949 -8.374 -6.035 1.00 0.00 C ATOM 1231 O VAL A 81 17.150 -7.768 -7.086 1.00 0.00 O ATOM 1232 CB VAL A 81 19.341 -7.899 -5.454 1.00 0.00 C ATOM 1233 CG1 VAL A 81 19.825 -8.168 -6.870 1.00 0.00 C ATOM 1234 CG2 VAL A 81 19.022 -6.424 -5.260 1.00 0.00 C ATOM 0 H VAL A 81 18.504 -10.514 -6.220 1.00 0.00 H new ATOM 0 HA VAL A 81 17.825 -8.602 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 81 20.143 -8.164 -4.765 1.00 0.00 H new ATOM 0 HG11 VAL A 81 20.692 -7.543 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 81 20.102 -9.218 -6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 81 19.028 -7.936 -7.577 1.00 0.00 H new ATOM 0 HG21 VAL A 81 19.903 -5.827 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.202 -6.139 -5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.732 -6.248 -4.224 1.00 0.00 H new ATOM 1244 N PRO A 82 15.709 -8.713 -5.637 1.00 0.00 N ATOM 1245 CA PRO A 82 14.513 -8.389 -6.421 1.00 0.00 C ATOM 1246 C PRO A 82 14.227 -6.891 -6.449 1.00 0.00 C ATOM 1247 O PRO A 82 14.181 -6.238 -5.406 1.00 0.00 O ATOM 1248 CB PRO A 82 13.393 -9.133 -5.689 1.00 0.00 C ATOM 1249 CG PRO A 82 13.887 -9.284 -4.291 1.00 0.00 C ATOM 1250 CD PRO A 82 15.380 -9.436 -4.395 1.00 0.00 C ATOM 0 HA PRO A 82 14.622 -8.678 -7.466 1.00 0.00 H new ATOM 0 HB2 PRO A 82 12.459 -8.572 -5.720 1.00 0.00 H new ATOM 0 HB3 PRO A 82 13.197 -10.103 -6.146 1.00 0.00 H new ATOM 0 HG2 PRO A 82 13.624 -8.415 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.439 -10.153 -3.810 1.00 0.00 H new ATOM 0 HD2 PRO A 82 15.889 -9.006 -3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 82 15.675 -10.484 -4.449 1.00 0.00 H new ATOM 1258 N LYS A 83 14.037 -6.353 -7.649 1.00 0.00 N ATOM 1259 CA LYS A 83 13.756 -4.930 -7.813 1.00 0.00 C ATOM 1260 C LYS A 83 12.306 -4.609 -7.451 1.00 0.00 C ATOM 1261 O LYS A 83 12.046 -3.683 -6.681 1.00 0.00 O ATOM 1262 CB LYS A 83 14.048 -4.484 -9.249 1.00 0.00 C ATOM 1263 CG LYS A 83 15.242 -5.186 -9.879 1.00 0.00 C ATOM 1264 CD LYS A 83 14.804 -6.336 -10.774 1.00 0.00 C ATOM 1265 CE LYS A 83 15.646 -6.409 -12.038 1.00 0.00 C ATOM 1266 NZ LYS A 83 15.015 -7.270 -13.076 1.00 0.00 N ATOM 0 H LYS A 83 14.072 -6.880 -8.522 1.00 0.00 H new ATOM 0 HA LYS A 83 14.409 -4.383 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 83 13.166 -4.666 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 83 14.225 -3.408 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.821 -4.470 -10.462 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.899 -5.563 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 83 14.884 -7.275 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.755 -6.212 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 83 15.789 -5.405 -12.437 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.634 -6.799 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 15.620 -7.294 -13.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.901 -8.235 -12.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.083 -6.884 -13.328 1.00 0.00 H new ATOM 1280 N PRO A 84 11.334 -5.363 -8.002 1.00 0.00 N ATOM 1281 CA PRO A 84 9.915 -5.136 -7.724 1.00 0.00 C ATOM 1282 C PRO A 84 9.489 -5.699 -6.372 1.00 0.00 C ATOM 1283 O PRO A 84 9.904 -6.791 -5.985 1.00 0.00 O ATOM 1284 CB PRO A 84 9.217 -5.883 -8.857 1.00 0.00 C ATOM 1285 CG PRO A 84 10.143 -6.999 -9.197 1.00 0.00 C ATOM 1286 CD PRO A 84 11.537 -6.492 -8.936 1.00 0.00 C ATOM 0 HA PRO A 84 9.671 -4.075 -7.676 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.243 -6.258 -8.544 1.00 0.00 H new ATOM 0 HB3 PRO A 84 9.048 -5.233 -9.715 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.930 -7.879 -8.590 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.027 -7.296 -10.239 1.00 0.00 H new ATOM 0 HD2 PRO A 84 12.168 -7.265 -8.498 1.00 0.00 H new ATOM 0 HD3 PRO A 84 12.023 -6.167 -9.856 1.00 0.00 H new ATOM 1294 N GLN A 85 8.658 -4.946 -5.660 1.00 0.00 N ATOM 1295 CA GLN A 85 8.173 -5.368 -4.352 1.00 0.00 C ATOM 1296 C GLN A 85 6.649 -5.407 -4.326 1.00 0.00 C ATOM 1297 O GLN A 85 5.986 -4.555 -4.917 1.00 0.00 O ATOM 1298 CB GLN A 85 8.689 -4.425 -3.263 1.00 0.00 C ATOM 1299 CG GLN A 85 10.202 -4.427 -3.124 1.00 0.00 C ATOM 1300 CD GLN A 85 10.692 -3.450 -2.073 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.969 -2.539 -1.671 1.00 0.00 O ATOM 1302 NE2 GLN A 85 11.928 -3.634 -1.625 1.00 0.00 N ATOM 0 H GLN A 85 8.306 -4.039 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 85 8.549 -6.373 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.354 -3.411 -3.483 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.244 -4.708 -2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.538 -5.431 -2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.652 -4.177 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.492 -4.403 -1.987 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.313 -3.006 -0.919 1.00 0.00 H new ATOM 1311 N ARG A 86 6.098 -6.401 -3.636 1.00 0.00 N ATOM 1312 CA ARG A 86 4.650 -6.549 -3.536 1.00 0.00 C ATOM 1313 C ARG A 86 4.194 -6.450 -2.083 1.00 0.00 C ATOM 1314 O ARG A 86 4.797 -7.046 -1.190 1.00 0.00 O ATOM 1315 CB ARG A 86 4.211 -7.890 -4.129 1.00 0.00 C ATOM 1316 CG ARG A 86 4.480 -8.011 -5.620 1.00 0.00 C ATOM 1317 CD ARG A 86 3.921 -9.309 -6.182 1.00 0.00 C ATOM 1318 NE ARG A 86 4.344 -9.534 -7.562 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.933 -10.560 -8.304 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.091 -11.455 -7.803 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.366 -10.691 -9.550 1.00 0.00 N ATOM 0 H ARG A 86 6.631 -7.115 -3.139 1.00 0.00 H new ATOM 0 HA ARG A 86 4.187 -5.740 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.729 -8.695 -3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.145 -8.027 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.033 -7.165 -6.142 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.554 -7.967 -5.802 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.248 -10.143 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.832 -9.285 -6.136 1.00 0.00 H new ATOM 0 HE ARG A 86 4.992 -8.867 -7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.755 -11.359 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.780 -12.239 -8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.014 -10.006 -9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.052 -11.477 -10.119 1.00 0.00 H new ATOM 1335 N HIS A 87 3.125 -5.696 -1.855 1.00 0.00 N ATOM 1336 CA HIS A 87 2.585 -5.518 -0.513 1.00 0.00 C ATOM 1337 C HIS A 87 1.142 -5.999 -0.441 1.00 0.00 C ATOM 1338 O HIS A 87 0.240 -5.374 -0.999 1.00 0.00 O ATOM 1339 CB HIS A 87 2.666 -4.047 -0.098 1.00 0.00 C ATOM 1340 CG HIS A 87 4.009 -3.643 0.424 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.233 -3.305 1.742 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.204 -3.525 -0.201 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.508 -2.993 1.905 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.118 -3.121 0.741 1.00 0.00 N ATOM 0 H HIS A 87 2.614 -5.197 -2.584 1.00 0.00 H new ATOM 0 HA HIS A 87 3.184 -6.115 0.175 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.416 -3.422 -0.956 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.915 -3.853 0.668 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.526 -3.297 2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.402 -3.713 -1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 87 5.971 -2.686 2.831 1.00 0.00 H new ATOM 1353 N MET A 88 0.927 -7.114 0.251 1.00 0.00 N ATOM 1354 CA MET A 88 -0.410 -7.677 0.395 1.00 0.00 C ATOM 1355 C MET A 88 -1.038 -7.246 1.716 1.00 0.00 C ATOM 1356 O MET A 88 -0.480 -7.485 2.788 1.00 0.00 O ATOM 1357 CB MET A 88 -0.354 -9.204 0.318 1.00 0.00 C ATOM 1358 CG MET A 88 -1.725 -9.862 0.301 1.00 0.00 C ATOM 1359 SD MET A 88 -1.631 -11.662 0.335 1.00 0.00 S ATOM 1360 CE MET A 88 -1.134 -11.944 2.034 1.00 0.00 C ATOM 0 H MET A 88 1.661 -7.644 0.720 1.00 0.00 H new ATOM 0 HA MET A 88 -1.027 -7.302 -0.422 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.191 -9.495 -0.580 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.211 -9.582 1.170 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.301 -9.516 1.159 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.264 -9.547 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 88 -1.289 -12.992 2.289 1.00 0.00 H new ATOM 0 HE2 MET A 88 -0.079 -11.694 2.151 1.00 0.00 H new ATOM 0 HE3 MET A 88 -1.731 -11.317 2.697 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.199 -6.603 1.632 1.00 0.00 N ATOM 1371 CA PHE A 89 -2.900 -6.133 2.820 1.00 0.00 C ATOM 1372 C PHE A 89 -4.204 -6.892 3.030 1.00 0.00 C ATOM 1373 O PHE A 89 -4.778 -7.436 2.086 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.188 -4.636 2.707 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.961 -3.781 2.819 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.426 -3.478 4.059 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.344 -3.278 1.685 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.296 -2.689 4.168 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.214 -2.490 1.786 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.311 -2.195 3.030 1.00 0.00 C ATOM 0 H PHE A 89 -2.673 -6.396 0.753 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.255 -6.314 3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.673 -4.438 1.751 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.893 -4.350 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -1.897 -3.862 4.952 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.751 -3.505 0.711 1.00 0.00 H new ATOM 0 HE1 PHE A 89 0.111 -2.459 5.141 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.258 -2.105 0.894 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.194 -1.579 3.112 1.00 0.00 H new ATOM 1390 N SER A 90 -4.669 -6.916 4.274 1.00 0.00 N ATOM 1391 CA SER A 90 -5.911 -7.599 4.616 1.00 0.00 C ATOM 1392 C SER A 90 -6.858 -6.642 5.333 1.00 0.00 C ATOM 1393 O SER A 90 -6.550 -6.148 6.417 1.00 0.00 O ATOM 1394 CB SER A 90 -5.628 -8.820 5.495 1.00 0.00 C ATOM 1395 OG SER A 90 -4.241 -9.106 5.542 1.00 0.00 O ATOM 0 H SER A 90 -4.203 -6.469 5.064 1.00 0.00 H new ATOM 0 HA SER A 90 -6.384 -7.938 3.695 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.999 -8.639 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.167 -9.684 5.107 1.00 0.00 H new ATOM 0 HG SER A 90 -4.088 -9.889 6.111 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.003 -6.373 4.716 1.00 0.00 N ATOM 1402 CA PHE A 91 -8.980 -5.462 5.292 1.00 0.00 C ATOM 1403 C PHE A 91 -10.079 -6.209 6.030 1.00 0.00 C ATOM 1404 O PHE A 91 -10.658 -7.163 5.510 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.596 -4.595 4.199 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.763 -3.400 3.857 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.755 -3.492 2.913 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.985 -2.189 4.484 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.981 -2.393 2.598 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.215 -1.082 4.175 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.212 -1.185 3.230 1.00 0.00 C ATOM 0 H PHE A 91 -8.276 -6.773 3.818 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.457 -4.832 6.012 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.740 -5.199 3.303 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.583 -4.262 4.521 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.572 -4.434 2.417 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.768 -2.106 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.197 -2.477 1.860 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.397 -0.140 4.671 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.609 -0.323 2.985 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.374 -5.751 7.238 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.421 -6.354 8.045 1.00 0.00 C ATOM 1423 C ASN A 92 -12.741 -5.615 7.843 1.00 0.00 C ATOM 1424 O ASN A 92 -13.716 -5.865 8.554 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.031 -6.333 9.525 1.00 0.00 C ATOM 1426 CG ASN A 92 -9.795 -7.164 9.809 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -9.384 -7.987 8.991 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -9.194 -6.951 10.974 1.00 0.00 N ATOM 0 H ASN A 92 -9.901 -4.963 7.680 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.546 -7.389 7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.853 -5.304 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.862 -6.707 10.122 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.357 -7.480 11.220 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -9.569 -6.259 11.622 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.772 -4.704 6.868 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.975 -3.939 6.582 1.00 0.00 C ATOM 1437 C ASN A 93 -14.056 -3.563 5.107 1.00 0.00 C ATOM 1438 O ASN A 93 -13.122 -2.986 4.550 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.025 -2.678 7.449 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.929 -2.841 8.656 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.204 -3.959 9.093 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.399 -1.724 9.199 1.00 0.00 N ATOM 0 H ASN A 93 -11.977 -4.483 6.268 1.00 0.00 H new ATOM 0 HA ASN A 93 -14.833 -4.568 6.819 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.018 -2.431 7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.376 -1.840 6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.014 -1.771 10.011 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -15.145 -0.819 8.804 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.181 -3.893 4.482 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.390 -3.589 3.074 1.00 0.00 C ATOM 1451 C ARG A 94 -15.391 -2.084 2.842 1.00 0.00 C ATOM 1452 O ARG A 94 -14.725 -1.580 1.938 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.706 -4.195 2.584 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.946 -4.006 1.096 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.327 -4.497 0.687 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.508 -5.919 0.970 1.00 0.00 N ATOM 1457 CZ ARG A 94 -19.598 -6.608 0.637 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -20.604 -6.009 0.013 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -19.681 -7.897 0.931 1.00 0.00 N ATOM 0 H ARG A 94 -15.962 -4.372 4.930 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.568 -4.028 2.508 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.713 -5.261 2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.531 -3.746 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.843 -2.951 0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.185 -4.546 0.532 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -19.087 -3.922 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.475 -4.317 -0.378 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.756 -6.413 1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -20.545 -5.016 -0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -21.437 -6.541 -0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.910 -8.361 1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.515 -8.425 0.676 1.00 0.00 H new ATOM 1473 N THR A 95 -16.142 -1.364 3.669 1.00 0.00 N ATOM 1474 CA THR A 95 -16.230 0.070 3.566 1.00 0.00 C ATOM 1475 C THR A 95 -14.884 0.712 3.856 1.00 0.00 C ATOM 1476 O THR A 95 -14.524 1.730 3.262 1.00 0.00 O ATOM 1477 CB THR A 95 -17.281 0.565 4.548 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.179 -0.476 4.889 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.097 1.708 4.013 1.00 0.00 C ATOM 0 H THR A 95 -16.700 -1.765 4.423 1.00 0.00 H new ATOM 0 HA THR A 95 -16.516 0.347 2.551 1.00 0.00 H new ATOM 0 HB THR A 95 -16.724 0.908 5.420 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.846 -0.138 5.523 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.828 2.014 4.761 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.441 2.547 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.615 1.393 3.107 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.144 0.105 4.770 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.831 0.605 5.146 1.00 0.00 C ATOM 1489 C VAL A 96 -11.828 0.398 4.022 1.00 0.00 C ATOM 1490 O VAL A 96 -10.969 1.245 3.780 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.312 -0.068 6.434 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.897 0.394 6.757 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.246 0.217 7.599 1.00 0.00 C ATOM 0 H VAL A 96 -14.432 -0.738 5.267 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.940 1.673 5.336 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.287 -1.145 6.267 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.554 -0.095 7.669 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.232 0.133 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.891 1.475 6.900 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.864 -0.266 8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.306 1.293 7.762 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.239 -0.172 7.373 1.00 0.00 H new ATOM 1503 N MET A 97 -11.948 -0.727 3.334 1.00 0.00 N ATOM 1504 CA MET A 97 -11.047 -1.030 2.229 1.00 0.00 C ATOM 1505 C MET A 97 -11.381 -0.175 1.013 1.00 0.00 C ATOM 1506 O MET A 97 -10.495 0.208 0.248 1.00 0.00 O ATOM 1507 CB MET A 97 -11.104 -2.518 1.869 1.00 0.00 C ATOM 1508 CG MET A 97 -12.398 -2.945 1.196 1.00 0.00 C ATOM 1509 SD MET A 97 -12.225 -4.487 0.278 1.00 0.00 S ATOM 1510 CE MET A 97 -13.881 -4.679 -0.374 1.00 0.00 C ATOM 0 H MET A 97 -12.653 -1.441 3.518 1.00 0.00 H new ATOM 0 HA MET A 97 -10.032 -0.795 2.548 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.269 -2.753 1.209 1.00 0.00 H new ATOM 0 HB3 MET A 97 -10.968 -3.106 2.777 1.00 0.00 H new ATOM 0 HG2 MET A 97 -13.175 -3.061 1.951 1.00 0.00 H new ATOM 0 HG3 MET A 97 -12.728 -2.158 0.518 1.00 0.00 H new ATOM 0 HE1 MET A 97 -14.289 -5.638 -0.054 1.00 0.00 H new ATOM 0 HE2 MET A 97 -14.514 -3.873 -0.002 1.00 0.00 H new ATOM 0 HE3 MET A 97 -13.850 -4.643 -1.463 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.666 0.126 0.841 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.113 0.938 -0.278 1.00 0.00 C ATOM 1522 C ASP A 98 -12.826 2.411 -0.025 1.00 0.00 C ATOM 1523 O ASP A 98 -12.629 3.186 -0.961 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.606 0.728 -0.530 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.083 1.423 -1.789 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.935 0.840 -2.883 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -15.605 2.554 -1.681 1.00 0.00 O ATOM 0 H ASP A 98 -13.412 -0.182 1.464 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.561 0.626 -1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.812 -0.340 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.172 1.101 0.324 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.799 2.789 1.245 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.530 4.170 1.623 1.00 0.00 C ATOM 1534 C ASN A 99 -11.068 4.516 1.380 1.00 0.00 C ATOM 1535 O ASN A 99 -10.733 5.642 1.014 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.889 4.404 3.092 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.387 4.458 3.320 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -15.165 4.609 2.378 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -14.799 4.335 4.577 1.00 0.00 N ATOM 0 H ASN A 99 -12.960 2.159 2.031 1.00 0.00 H new ATOM 0 HA ASN A 99 -13.149 4.819 1.004 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.460 3.607 3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.439 5.338 3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -15.796 4.364 4.792 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.119 4.211 5.327 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.209 3.532 1.583 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.777 3.708 1.386 1.00 0.00 C ATOM 1548 C ILE A 100 -8.391 3.466 -0.068 1.00 0.00 C ATOM 1549 O ILE A 100 -7.630 4.233 -0.654 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.965 2.755 2.287 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.340 2.962 3.758 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.471 2.961 2.078 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.857 4.277 4.327 1.00 0.00 C ATOM 0 H ILE A 100 -10.479 2.596 1.886 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.543 4.738 1.656 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.208 1.729 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.424 2.908 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.924 2.146 4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.916 2.279 2.723 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.218 2.762 1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.207 3.989 2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.159 4.354 5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.770 4.326 4.259 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.293 5.100 3.761 1.00 0.00 H new ATOM 1565 N LYS A 101 -8.922 2.393 -0.643 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.630 2.049 -2.029 1.00 0.00 C ATOM 1567 C LYS A 101 -9.042 3.177 -2.968 1.00 0.00 C ATOM 1568 O LYS A 101 -8.311 3.524 -3.894 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.351 0.758 -2.419 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.045 0.291 -3.832 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.276 -0.293 -4.507 1.00 0.00 C ATOM 1572 CE LYS A 101 -10.836 -1.470 -3.724 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.529 -2.448 -4.610 1.00 0.00 N ATOM 0 H LYS A 101 -9.556 1.748 -0.172 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.554 1.899 -2.120 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.074 -0.029 -1.718 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.426 0.909 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.670 1.129 -4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.254 -0.459 -3.805 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -11.040 0.478 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.020 -0.615 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.026 -1.971 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -11.534 -1.105 -2.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.506 -3.391 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.517 -2.154 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.048 -2.483 -5.532 1.00 0.00 H new ATOM 1587 N MET A 102 -10.216 3.746 -2.722 1.00 0.00 N ATOM 1588 CA MET A 102 -10.721 4.833 -3.549 1.00 0.00 C ATOM 1589 C MET A 102 -9.861 6.077 -3.399 1.00 0.00 C ATOM 1590 O MET A 102 -9.637 6.811 -4.362 1.00 0.00 O ATOM 1591 CB MET A 102 -12.173 5.149 -3.188 1.00 0.00 C ATOM 1592 CG MET A 102 -13.142 4.029 -3.525 1.00 0.00 C ATOM 1593 SD MET A 102 -13.859 4.203 -5.171 1.00 0.00 S ATOM 1594 CE MET A 102 -14.988 5.567 -4.904 1.00 0.00 C ATOM 0 H MET A 102 -10.834 3.473 -1.958 1.00 0.00 H new ATOM 0 HA MET A 102 -10.679 4.512 -4.590 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.235 5.363 -2.121 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.480 6.054 -3.713 1.00 0.00 H new ATOM 0 HG2 MET A 102 -12.623 3.073 -3.458 1.00 0.00 H new ATOM 0 HG3 MET A 102 -13.942 4.011 -2.785 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.735 5.582 -5.698 1.00 0.00 H new ATOM 0 HE2 MET A 102 -15.484 5.446 -3.941 1.00 0.00 H new ATOM 0 HE3 MET A 102 -14.433 6.505 -4.911 1.00 0.00 H new ATOM 1604 N THR A 103 -9.375 6.303 -2.191 1.00 0.00 N ATOM 1605 CA THR A 103 -8.532 7.451 -1.917 1.00 0.00 C ATOM 1606 C THR A 103 -7.124 7.198 -2.439 1.00 0.00 C ATOM 1607 O THR A 103 -6.478 8.097 -2.978 1.00 0.00 O ATOM 1608 CB THR A 103 -8.526 7.759 -0.413 1.00 0.00 C ATOM 1609 OG1 THR A 103 -9.365 8.862 -0.126 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.154 8.073 0.151 1.00 0.00 C ATOM 0 H THR A 103 -9.551 5.705 -1.384 1.00 0.00 H new ATOM 0 HA THR A 103 -8.932 8.324 -2.433 1.00 0.00 H new ATOM 0 HB THR A 103 -8.885 6.844 0.058 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.823 9.675 -0.055 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.238 8.279 1.218 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.493 7.220 -0.003 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.743 8.946 -0.356 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.663 5.961 -2.294 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.342 5.592 -2.771 1.00 0.00 C ATOM 1620 C LEU A 104 -5.336 5.550 -4.295 1.00 0.00 C ATOM 1621 O LEU A 104 -4.315 5.814 -4.927 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.907 4.241 -2.175 1.00 0.00 C ATOM 1623 CG LEU A 104 -5.042 3.021 -3.090 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.894 2.969 -4.086 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -5.087 1.745 -2.263 1.00 0.00 C ATOM 0 H LEU A 104 -7.183 5.203 -1.852 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.623 6.343 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.865 4.323 -1.866 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -5.493 4.060 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.975 3.108 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.008 2.095 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.902 3.871 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.948 2.904 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.183 0.885 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.169 1.655 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.941 1.779 -1.587 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.492 5.231 -4.879 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.618 5.171 -6.328 1.00 0.00 C ATOM 1639 C GLN A 105 -6.425 6.548 -6.937 1.00 0.00 C ATOM 1640 O GLN A 105 -5.852 6.688 -8.018 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.983 4.607 -6.727 1.00 0.00 C ATOM 1642 CG GLN A 105 -8.012 3.090 -6.819 1.00 0.00 C ATOM 1643 CD GLN A 105 -9.379 2.555 -7.195 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -10.406 3.115 -6.811 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -9.399 1.463 -7.952 1.00 0.00 N ATOM 0 H GLN A 105 -7.348 5.012 -4.370 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.842 4.508 -6.709 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.728 4.933 -6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.273 5.027 -7.690 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.281 2.760 -7.558 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.711 2.666 -5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.523 1.031 -8.248 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.290 1.057 -8.237 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.899 7.566 -6.233 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.767 8.936 -6.701 1.00 0.00 C ATOM 1656 C GLN A 106 -5.303 9.343 -6.724 1.00 0.00 C ATOM 1657 O GLN A 106 -4.849 10.017 -7.649 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.569 9.890 -5.813 1.00 0.00 C ATOM 1659 CG GLN A 106 -9.072 9.666 -5.880 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.839 10.584 -4.951 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.270 11.176 -4.033 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -11.141 10.708 -5.184 1.00 0.00 N ATOM 0 H GLN A 106 -7.377 7.468 -5.337 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.165 8.994 -7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -7.239 9.776 -4.781 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.350 10.917 -6.106 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.414 9.822 -6.903 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.293 8.630 -5.625 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -11.572 10.199 -5.956 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -11.710 11.312 -4.591 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.562 8.912 -5.710 1.00 0.00 N ATOM 1672 CA ILE A 107 -3.141 9.214 -5.627 1.00 0.00 C ATOM 1673 C ILE A 107 -2.424 8.664 -6.854 1.00 0.00 C ATOM 1674 O ILE A 107 -1.594 9.341 -7.462 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.516 8.621 -4.350 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -3.170 9.234 -3.109 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -1.013 8.849 -4.334 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.904 8.459 -1.837 1.00 0.00 C ATOM 0 H ILE A 107 -4.922 8.354 -4.936 1.00 0.00 H new ATOM 0 HA ILE A 107 -3.027 10.297 -5.589 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.695 7.546 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.808 10.255 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -4.247 9.295 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.590 8.423 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.563 8.369 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.807 9.919 -4.363 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.398 8.952 -1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.291 7.445 -1.941 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.830 8.420 -1.652 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.776 7.436 -7.225 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.196 6.787 -8.396 1.00 0.00 C ATOM 1692 C ILE A 108 -2.318 7.690 -9.605 1.00 0.00 C ATOM 1693 O ILE A 108 -1.345 7.976 -10.301 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.914 5.465 -8.725 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -3.199 4.657 -7.459 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.099 4.654 -9.714 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -2.040 4.599 -6.487 1.00 0.00 C ATOM 0 H ILE A 108 -3.463 6.869 -6.729 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.150 6.585 -8.164 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.874 5.706 -9.183 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -4.062 5.089 -6.953 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.471 3.641 -7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.619 3.722 -9.937 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.968 5.225 -10.633 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -1.123 4.430 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -2.324 4.008 -5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -1.180 4.139 -6.973 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.780 5.609 -6.170 1.00 0.00 H new ATOM 1709 N SER A 109 -3.540 8.128 -9.831 1.00 0.00 N ATOM 1710 CA SER A 109 -3.854 9.010 -10.950 1.00 0.00 C ATOM 1711 C SER A 109 -2.996 10.269 -10.914 1.00 0.00 C ATOM 1712 O SER A 109 -2.740 10.890 -11.945 1.00 0.00 O ATOM 1713 CB SER A 109 -5.336 9.386 -10.931 1.00 0.00 C ATOM 1714 OG SER A 109 -5.694 10.111 -12.096 1.00 0.00 O ATOM 0 H SER A 109 -4.344 7.887 -9.251 1.00 0.00 H new ATOM 0 HA SER A 109 -3.635 8.473 -11.873 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.942 8.483 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.551 9.985 -10.046 1.00 0.00 H new ATOM 0 HG SER A 109 -6.647 10.338 -12.060 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.554 10.638 -9.719 1.00 0.00 N ATOM 1721 CA ARG A 110 -1.725 11.820 -9.544 1.00 0.00 C ATOM 1722 C ARG A 110 -0.310 11.567 -10.052 1.00 0.00 C ATOM 1723 O ARG A 110 0.339 12.462 -10.593 1.00 0.00 O ATOM 1724 CB ARG A 110 -1.717 12.247 -8.067 1.00 0.00 C ATOM 1725 CG ARG A 110 -0.330 12.389 -7.455 1.00 0.00 C ATOM 1726 CD ARG A 110 -0.405 12.827 -6.002 1.00 0.00 C ATOM 1727 NE ARG A 110 0.919 13.087 -5.442 1.00 0.00 N ATOM 1728 CZ ARG A 110 1.657 14.152 -5.746 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.204 15.059 -6.604 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.851 14.313 -5.191 1.00 0.00 N ATOM 0 H ARG A 110 -2.757 10.134 -8.856 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.147 12.634 -10.133 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.239 13.199 -7.975 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.282 11.516 -7.488 1.00 0.00 H new ATOM 0 HG2 ARG A 110 0.198 11.438 -7.523 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.248 13.116 -8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -1.015 13.727 -5.925 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -0.902 12.054 -5.415 1.00 0.00 H new ATOM 0 HE ARG A 110 1.300 12.412 -4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 110 0.286 14.941 -7.033 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.774 15.873 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.204 13.620 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 110 3.416 15.129 -5.425 1.00 0.00 H new ATOM 1744 N TYR A 111 0.155 10.340 -9.877 1.00 0.00 N ATOM 1745 CA TYR A 111 1.490 9.959 -10.321 1.00 0.00 C ATOM 1746 C TYR A 111 1.530 9.815 -11.837 1.00 0.00 C ATOM 1747 O TYR A 111 2.553 10.068 -12.473 1.00 0.00 O ATOM 1748 CB TYR A 111 1.925 8.652 -9.657 1.00 0.00 C ATOM 1749 CG TYR A 111 2.376 8.823 -8.224 1.00 0.00 C ATOM 1750 CD1 TYR A 111 3.625 9.355 -7.929 1.00 0.00 C ATOM 1751 CD2 TYR A 111 1.554 8.452 -7.168 1.00 0.00 C ATOM 1752 CE1 TYR A 111 4.041 9.513 -6.621 1.00 0.00 C ATOM 1753 CE2 TYR A 111 1.963 8.608 -5.857 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.207 9.138 -5.589 1.00 0.00 C ATOM 1755 OH TYR A 111 3.618 9.293 -4.285 1.00 0.00 O ATOM 0 H TYR A 111 -0.371 9.589 -9.430 1.00 0.00 H new ATOM 0 HA TYR A 111 2.183 10.747 -10.027 1.00 0.00 H new ATOM 0 HB2 TYR A 111 1.096 7.945 -9.686 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.738 8.213 -10.235 1.00 0.00 H new ATOM 0 HD1 TYR A 111 4.281 9.650 -8.735 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.579 8.035 -7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.015 9.928 -6.408 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.311 8.316 -5.047 1.00 0.00 H new ATOM 0 HH TYR A 111 2.838 9.452 -3.713 1.00 0.00 H new ATOM 1765 N LYS A 112 0.404 9.409 -12.404 1.00 0.00 N ATOM 1766 CA LYS A 112 0.290 9.229 -13.842 1.00 0.00 C ATOM 1767 C LYS A 112 0.189 10.575 -14.551 1.00 0.00 C ATOM 1768 O LYS A 112 0.698 10.743 -15.660 1.00 0.00 O ATOM 1769 CB LYS A 112 -0.932 8.370 -14.172 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.784 6.917 -13.748 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.011 6.425 -12.998 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.226 6.346 -13.908 1.00 0.00 C ATOM 1773 NZ LYS A 112 -4.476 6.743 -13.203 1.00 0.00 N ATOM 0 H LYS A 112 -0.448 9.197 -11.886 1.00 0.00 H new ATOM 0 HA LYS A 112 1.188 8.721 -14.194 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.808 8.796 -13.683 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.115 8.410 -15.246 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.622 6.295 -14.628 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.097 6.810 -13.115 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.809 5.442 -12.573 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.222 7.095 -12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.075 6.994 -14.772 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.330 5.329 -14.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -5.252 6.114 -13.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.334 6.668 -12.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.716 7.725 -13.448 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.470 11.532 -13.904 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.637 12.865 -14.473 1.00 0.00 C ATOM 1789 C ASP A 113 0.718 13.521 -14.724 1.00 0.00 C ATOM 1790 O ASP A 113 0.909 14.205 -15.729 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.476 13.739 -13.541 1.00 0.00 C ATOM 1792 CG ASP A 113 -2.907 13.252 -13.422 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -3.332 12.443 -14.274 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -3.603 13.678 -12.477 1.00 0.00 O ATOM 0 H ASP A 113 -0.897 11.409 -12.986 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.155 12.765 -15.427 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.017 13.755 -12.552 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.474 14.765 -13.910 1.00 0.00 H new ATOM 1799 N ALA A 114 1.653 13.308 -13.803 1.00 0.00 N ATOM 1800 CA ALA A 114 2.988 13.880 -13.924 1.00 0.00 C ATOM 1801 C ALA A 114 3.695 13.362 -15.172 1.00 0.00 C ATOM 1802 O ALA A 114 4.481 14.076 -15.794 1.00 0.00 O ATOM 1803 CB ALA A 114 3.808 13.571 -12.682 1.00 0.00 C ATOM 0 H ALA A 114 1.510 12.744 -12.965 1.00 0.00 H new ATOM 0 HA ALA A 114 2.887 14.961 -14.019 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.803 14.004 -12.786 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.317 13.996 -11.807 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.893 12.491 -12.562 1.00 0.00 H new ATOM 1809 N ASP A 115 3.412 12.114 -15.531 1.00 0.00 N ATOM 1810 CA ASP A 115 4.023 11.500 -16.703 1.00 0.00 C ATOM 1811 C ASP A 115 2.965 10.847 -17.588 1.00 0.00 C ATOM 1812 O ASP A 115 2.668 11.406 -18.665 1.00 0.00 O ATOM 1813 CB ASP A 115 5.060 10.459 -16.278 1.00 0.00 C ATOM 1814 CG ASP A 115 5.818 9.881 -17.458 1.00 0.00 C ATOM 1815 OD1 ASP A 115 5.747 10.471 -18.557 1.00 0.00 O ATOM 1816 OD2 ASP A 115 6.486 8.840 -17.283 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.441 9.783 -17.197 1.00 0.00 O ATOM 0 H ASP A 115 2.764 11.509 -15.027 1.00 0.00 H new ATOM 0 HA ASP A 115 4.519 12.284 -17.276 1.00 0.00 H new ATOM 0 HB2 ASP A 115 5.766 10.916 -15.585 1.00 0.00 H new ATOM 0 HB3 ASP A 115 4.562 9.653 -15.740 1.00 0.00 H new TER 1822 ASP A 115