USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 978 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 GLN : amide:sc= -3.29 K(o=-3,f=-4.2!) USER MOD Set 1.2: A 97 SER OG : rot -38:sc= 0.28 USER MOD Set 2.1: A 52 GLN : amide:sc= -1.83 K(o=-1.8,f=-3.6!) USER MOD Set 2.2: A 116 THR OG1 : rot 100:sc=-0.00686 USER MOD Single : A 1 GLN : amide:sc= -0.0113 K(o=-0.011,f=-1.2) USER MOD Single : A 1 GLN N :NH3+ -117:sc= 0.105 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.048) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 16 HIS : no HD1:sc= -0.0899 X(o=-0.09,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.956 X(o=-0.96,f=-0.67) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 HIS : no HD1:sc=-0.000906 X(o=-0.00091,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.0167 X(o=-0.017,f=-0.43) USER MOD Single : A 32 GLN : amide:sc= -3.53 K(o=-3.5,f=-6.6!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 39 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.49) USER MOD Single : A 44 ASN : amide:sc= -0.0886 K(o=-0.089,f=-3.3!) USER MOD Single : A 46 ASN : amide:sc= -0.657 K(o=-0.66,f=-2!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0165 USER MOD Single : A 49 LYS NZ :NH3+ -118:sc= -0.0358 (180deg=-0.993) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.457 USER MOD Single : A 65 MET CE :methyl -142:sc= -1.57 (180deg=-2.71!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.028) USER MOD Single : A 89 ASN : amide:sc= -0.959 K(o=-0.96,f=-3.3!) USER MOD Single : A 90 TYR OH : rot 172:sc= -0.511 USER MOD Single : A 94 GLN : amide:sc=-0.00692 X(o=-0.0069,f=-0.22) USER MOD Single : A 95 THR OG1 : rot 70:sc= 1.03 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 162:sc= -0.0865 (180deg=-0.389) USER MOD Single : A 107 THR OG1 : rot 69:sc= 1.2 USER MOD Single : A 109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 166:sc= -0.0441 (180deg=-0.337) USER MOD Single : A 115 GLN : amide:sc= -0.581 K(o=-0.58,f=-2.8!) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 27.311 8.083 -3.992 1.00 0.00 N ATOM 2 CA GLN A 1 26.098 7.280 -3.890 1.00 0.00 C ATOM 3 C GLN A 1 25.050 7.747 -4.894 1.00 0.00 C ATOM 4 O GLN A 1 25.264 8.715 -5.623 1.00 0.00 O ATOM 5 CB GLN A 1 25.532 7.354 -2.471 1.00 0.00 C ATOM 6 CG GLN A 1 26.142 6.338 -1.518 1.00 0.00 C ATOM 7 CD GLN A 1 25.914 6.694 -0.062 1.00 0.00 C ATOM 8 OE1 GLN A 1 25.260 7.688 0.251 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.456 5.881 0.837 1.00 0.00 N ATOM 0 H1 GLN A 1 28.105 7.477 -4.283 1.00 0.00 H new ATOM 0 H2 GLN A 1 27.172 8.834 -4.698 1.00 0.00 H new ATOM 0 H3 GLN A 1 27.523 8.511 -3.068 1.00 0.00 H new ATOM 0 HA GLN A 1 26.356 6.246 -4.118 1.00 0.00 H new ATOM 0 HB2 GLN A 1 25.697 8.356 -2.075 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.454 7.201 -2.511 1.00 0.00 H new ATOM 0 HG2 GLN A 1 25.716 5.355 -1.719 1.00 0.00 H new ATOM 0 HG3 GLN A 1 27.213 6.265 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.991 5.068 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.338 6.070 1.832 1.00 0.00 H new ATOM 18 N GLU A 2 23.917 7.052 -4.925 1.00 0.00 N ATOM 19 CA GLU A 2 22.836 7.396 -5.842 1.00 0.00 C ATOM 20 C GLU A 2 21.546 7.683 -5.078 1.00 0.00 C ATOM 21 O GLU A 2 21.117 6.888 -4.240 1.00 0.00 O ATOM 22 CB GLU A 2 22.607 6.262 -6.843 1.00 0.00 C ATOM 23 CG GLU A 2 22.150 4.964 -6.199 1.00 0.00 C ATOM 24 CD GLU A 2 22.216 3.786 -7.152 1.00 0.00 C ATOM 25 OE1 GLU A 2 22.380 4.016 -8.367 1.00 0.00 O ATOM 26 OE2 GLU A 2 22.102 2.635 -6.681 1.00 0.00 O ATOM 0 H GLU A 2 23.724 6.249 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 2 23.125 8.296 -6.384 1.00 0.00 H new ATOM 0 HB2 GLU A 2 21.861 6.578 -7.573 1.00 0.00 H new ATOM 0 HB3 GLU A 2 23.532 6.080 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 2 22.771 4.757 -5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 2 21.127 5.081 -5.841 1.00 0.00 H new ATOM 33 N HIS A 3 20.933 8.825 -5.373 1.00 0.00 N ATOM 34 CA HIS A 3 19.692 9.218 -4.714 1.00 0.00 C ATOM 35 C HIS A 3 18.494 8.987 -5.630 1.00 0.00 C ATOM 36 O HIS A 3 18.650 8.777 -6.834 1.00 0.00 O ATOM 37 CB HIS A 3 19.754 10.688 -4.298 1.00 0.00 C ATOM 38 CG HIS A 3 19.893 11.632 -5.453 1.00 0.00 C ATOM 39 ND1 HIS A 3 18.819 12.272 -6.035 1.00 0.00 N ATOM 40 CD2 HIS A 3 20.988 12.044 -6.133 1.00 0.00 C ATOM 41 CE1 HIS A 3 19.248 13.036 -7.024 1.00 0.00 C ATOM 42 NE2 HIS A 3 20.561 12.916 -7.103 1.00 0.00 N ATOM 0 H HIS A 3 21.275 9.494 -6.063 1.00 0.00 H new ATOM 0 HA HIS A 3 19.571 8.601 -3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 3 18.851 10.938 -3.742 1.00 0.00 H new ATOM 0 HB3 HIS A 3 20.596 10.830 -3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 3 22.008 11.743 -5.947 1.00 0.00 H new ATOM 0 HE1 HIS A 3 18.630 13.653 -7.659 1.00 0.00 H new ATOM 0 HE2 HIS A 3 21.160 13.394 -7.776 1.00 0.00 H new ATOM 50 N LYS A 4 17.298 9.026 -5.054 1.00 0.00 N ATOM 51 CA LYS A 4 16.073 8.820 -5.817 1.00 0.00 C ATOM 52 C LYS A 4 15.382 10.149 -6.105 1.00 0.00 C ATOM 53 O LYS A 4 15.629 11.160 -5.447 1.00 0.00 O ATOM 54 CB LYS A 4 15.122 7.894 -5.054 1.00 0.00 C ATOM 55 CG LYS A 4 15.335 6.421 -5.356 1.00 0.00 C ATOM 56 CD LYS A 4 14.487 5.539 -4.457 1.00 0.00 C ATOM 57 CE LYS A 4 14.911 4.081 -4.546 1.00 0.00 C ATOM 58 NZ LYS A 4 14.643 3.507 -5.894 1.00 0.00 N ATOM 0 H LYS A 4 17.151 9.199 -4.060 1.00 0.00 H new ATOM 0 HA LYS A 4 16.340 8.355 -6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 4 15.248 8.059 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 4 14.094 8.161 -5.298 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.088 6.223 -6.399 1.00 0.00 H new ATOM 0 HG3 LYS A 4 16.388 6.170 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.571 5.881 -3.426 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.438 5.632 -4.739 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.974 3.997 -4.320 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.379 3.501 -3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.946 2.512 -5.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.625 3.563 -6.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.171 4.044 -6.611 1.00 0.00 H new ATOM 72 N PRO A 5 14.495 10.151 -7.110 1.00 0.00 N ATOM 73 CA PRO A 5 13.749 11.349 -7.507 1.00 0.00 C ATOM 74 C PRO A 5 12.715 11.760 -6.464 1.00 0.00 C ATOM 75 O PRO A 5 12.402 10.996 -5.550 1.00 0.00 O ATOM 76 CB PRO A 5 13.059 10.924 -8.805 1.00 0.00 C ATOM 77 CG PRO A 5 12.941 9.442 -8.704 1.00 0.00 C ATOM 78 CD PRO A 5 14.150 8.982 -7.937 1.00 0.00 C ATOM 0 HA PRO A 5 14.400 12.216 -7.619 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.080 11.393 -8.905 1.00 0.00 H new ATOM 0 HB3 PRO A 5 13.643 11.216 -9.678 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.022 9.158 -8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 5 12.909 8.985 -9.693 1.00 0.00 H new ATOM 0 HD2 PRO A 5 13.929 8.108 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 5 14.967 8.706 -8.603 1.00 0.00 H new ATOM 86 N LYS A 6 12.187 12.971 -6.607 1.00 0.00 N ATOM 87 CA LYS A 6 11.186 13.483 -5.678 1.00 0.00 C ATOM 88 C LYS A 6 9.777 13.241 -6.209 1.00 0.00 C ATOM 89 O LYS A 6 9.383 13.797 -7.234 1.00 0.00 O ATOM 90 CB LYS A 6 11.402 14.979 -5.439 1.00 0.00 C ATOM 91 CG LYS A 6 10.941 15.449 -4.070 1.00 0.00 C ATOM 92 CD LYS A 6 12.042 15.308 -3.032 1.00 0.00 C ATOM 93 CE LYS A 6 11.485 15.365 -1.618 1.00 0.00 C ATOM 94 NZ LYS A 6 12.556 15.586 -0.608 1.00 0.00 N ATOM 0 H LYS A 6 12.435 13.616 -7.357 1.00 0.00 H new ATOM 0 HA LYS A 6 11.296 12.950 -4.734 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.461 15.208 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.869 15.542 -6.206 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.627 16.491 -4.129 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.071 14.871 -3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.565 14.363 -3.181 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.775 16.103 -3.168 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.750 16.167 -1.549 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.963 14.434 -1.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 12.135 15.619 0.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.244 14.808 -0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.038 16.486 -0.804 1.00 0.00 H new ATOM 108 N LYS A 7 9.020 12.407 -5.503 1.00 0.00 N ATOM 109 CA LYS A 7 7.652 12.092 -5.900 1.00 0.00 C ATOM 110 C LYS A 7 6.679 12.353 -4.755 1.00 0.00 C ATOM 111 O LYS A 7 5.690 11.638 -4.593 1.00 0.00 O ATOM 112 CB LYS A 7 7.553 10.632 -6.346 1.00 0.00 C ATOM 113 CG LYS A 7 7.908 9.637 -5.254 1.00 0.00 C ATOM 114 CD LYS A 7 9.400 9.348 -5.227 1.00 0.00 C ATOM 115 CE LYS A 7 9.692 7.978 -4.635 1.00 0.00 C ATOM 116 NZ LYS A 7 9.625 7.991 -3.147 1.00 0.00 N ATOM 0 H LYS A 7 9.331 11.937 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 7 7.384 12.740 -6.735 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.538 10.434 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.215 10.475 -7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.595 10.030 -4.287 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.359 8.709 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.800 9.401 -6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.910 10.114 -4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.976 7.254 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.682 7.649 -4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.830 7.039 -2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.325 8.663 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.673 8.280 -2.845 1.00 0.00 H new ATOM 130 N ASP A 8 6.965 13.382 -3.965 1.00 0.00 N ATOM 131 CA ASP A 8 6.113 13.739 -2.836 1.00 0.00 C ATOM 132 C ASP A 8 5.917 15.250 -2.760 1.00 0.00 C ATOM 133 O ASP A 8 6.832 16.020 -3.051 1.00 0.00 O ATOM 134 CB ASP A 8 6.720 13.225 -1.529 1.00 0.00 C ATOM 135 CG ASP A 8 7.886 14.073 -1.059 1.00 0.00 C ATOM 136 OD1 ASP A 8 8.698 14.488 -1.911 1.00 0.00 O ATOM 137 OD2 ASP A 8 7.985 14.320 0.161 1.00 0.00 O ATOM 0 H ASP A 8 7.780 13.984 -4.085 1.00 0.00 H new ATOM 0 HA ASP A 8 5.140 13.271 -2.985 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.951 13.209 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.055 12.197 -1.667 1.00 0.00 H new ATOM 142 N ASP A 9 4.717 15.666 -2.369 1.00 0.00 N ATOM 143 CA ASP A 9 4.400 17.085 -2.256 1.00 0.00 C ATOM 144 C ASP A 9 4.744 17.609 -0.865 1.00 0.00 C ATOM 145 O ASP A 9 5.138 18.764 -0.705 1.00 0.00 O ATOM 146 CB ASP A 9 2.919 17.324 -2.552 1.00 0.00 C ATOM 147 CG ASP A 9 2.584 17.129 -4.018 1.00 0.00 C ATOM 148 OD1 ASP A 9 3.065 17.928 -4.848 1.00 0.00 O ATOM 149 OD2 ASP A 9 1.841 16.177 -4.335 1.00 0.00 O ATOM 0 H ASP A 9 3.949 15.041 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 9 5.000 17.626 -2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.317 16.643 -1.951 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.650 18.337 -2.252 1.00 0.00 H new ATOM 154 N PHE A 10 4.591 16.752 0.139 1.00 0.00 N ATOM 155 CA PHE A 10 4.883 17.128 1.518 1.00 0.00 C ATOM 156 C PHE A 10 4.023 18.312 1.952 1.00 0.00 C ATOM 157 O PHE A 10 4.538 19.326 2.424 1.00 0.00 O ATOM 158 CB PHE A 10 6.364 17.476 1.671 1.00 0.00 C ATOM 159 CG PHE A 10 6.887 17.275 3.064 1.00 0.00 C ATOM 160 CD1 PHE A 10 7.164 16.003 3.539 1.00 0.00 C ATOM 161 CD2 PHE A 10 7.100 18.359 3.901 1.00 0.00 C ATOM 162 CE1 PHE A 10 7.645 15.815 4.820 1.00 0.00 C ATOM 163 CE2 PHE A 10 7.582 18.177 5.184 1.00 0.00 C ATOM 164 CZ PHE A 10 7.853 16.903 5.644 1.00 0.00 C ATOM 0 H PHE A 10 4.266 15.792 0.024 1.00 0.00 H new ATOM 0 HA PHE A 10 4.649 16.277 2.158 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.946 16.864 0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.516 18.516 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.002 15.148 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.887 19.357 3.547 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.858 14.818 5.177 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.746 19.030 5.826 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.227 16.758 6.647 1.00 0.00 H new ATOM 174 N ARG A 11 2.712 18.174 1.788 1.00 0.00 N ATOM 175 CA ARG A 11 1.780 19.233 2.161 1.00 0.00 C ATOM 176 C ARG A 11 0.833 18.760 3.260 1.00 0.00 C ATOM 177 O ARG A 11 0.698 17.562 3.504 1.00 0.00 O ATOM 178 CB ARG A 11 0.977 19.687 0.941 1.00 0.00 C ATOM 179 CG ARG A 11 1.758 20.588 -0.001 1.00 0.00 C ATOM 180 CD ARG A 11 0.860 21.189 -1.071 1.00 0.00 C ATOM 181 NE ARG A 11 0.030 22.269 -0.544 1.00 0.00 N ATOM 182 CZ ARG A 11 -1.002 22.789 -1.200 1.00 0.00 C ATOM 183 NH1 ARG A 11 -1.328 22.330 -2.400 1.00 0.00 N ATOM 184 NH2 ARG A 11 -1.710 23.769 -0.655 1.00 0.00 N ATOM 0 H ARG A 11 2.270 17.340 1.400 1.00 0.00 H new ATOM 0 HA ARG A 11 2.358 20.076 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.638 18.808 0.392 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.085 20.215 1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.232 21.387 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.557 20.016 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.473 21.569 -1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.221 20.410 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 11 0.255 22.644 0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.786 21.576 -2.822 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.121 22.731 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.463 24.124 0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.502 24.167 -1.159 1.00 0.00 H new ATOM 198 N ASN A 12 0.179 19.711 3.920 1.00 0.00 N ATOM 199 CA ASN A 12 -0.755 19.392 4.994 1.00 0.00 C ATOM 200 C ASN A 12 -2.130 19.990 4.713 1.00 0.00 C ATOM 201 O ASN A 12 -2.246 21.156 4.339 1.00 0.00 O ATOM 202 CB ASN A 12 -0.224 19.912 6.331 1.00 0.00 C ATOM 203 CG ASN A 12 -1.010 19.379 7.513 1.00 0.00 C ATOM 204 OD1 ASN A 12 -1.235 18.174 7.629 1.00 0.00 O ATOM 205 ND2 ASN A 12 -1.432 20.276 8.396 1.00 0.00 N ATOM 0 H ASN A 12 0.279 20.708 3.730 1.00 0.00 H new ATOM 0 HA ASN A 12 -0.853 18.308 5.047 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.823 19.629 6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.262 21.001 6.335 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.966 19.977 9.212 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -1.222 21.265 8.259 1.00 0.00 H new ATOM 212 N GLU A 13 -3.169 19.181 4.898 1.00 0.00 N ATOM 213 CA GLU A 13 -4.537 19.630 4.664 1.00 0.00 C ATOM 214 C GLU A 13 -5.490 19.029 5.692 1.00 0.00 C ATOM 215 O GLU A 13 -5.119 18.130 6.448 1.00 0.00 O ATOM 216 CB GLU A 13 -4.988 19.250 3.252 1.00 0.00 C ATOM 217 CG GLU A 13 -3.951 19.547 2.180 1.00 0.00 C ATOM 218 CD GLU A 13 -2.933 18.434 2.029 1.00 0.00 C ATOM 219 OE1 GLU A 13 -3.031 17.433 2.769 1.00 0.00 O ATOM 220 OE2 GLU A 13 -2.036 18.565 1.170 1.00 0.00 O ATOM 0 H GLU A 13 -3.090 18.213 5.209 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.558 20.715 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.227 18.187 3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.906 19.788 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.455 19.705 1.226 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.435 20.475 2.426 1.00 0.00 H new ATOM 227 N PHE A 14 -6.719 19.533 5.717 1.00 0.00 N ATOM 228 CA PHE A 14 -7.726 19.050 6.653 1.00 0.00 C ATOM 229 C PHE A 14 -8.022 17.571 6.418 1.00 0.00 C ATOM 230 O PHE A 14 -8.707 17.209 5.460 1.00 0.00 O ATOM 231 CB PHE A 14 -9.013 19.866 6.520 1.00 0.00 C ATOM 232 CG PHE A 14 -9.026 21.107 7.366 1.00 0.00 C ATOM 233 CD1 PHE A 14 -8.961 21.020 8.747 1.00 0.00 C ATOM 234 CD2 PHE A 14 -9.102 22.360 6.779 1.00 0.00 C ATOM 235 CE1 PHE A 14 -8.973 22.161 9.528 1.00 0.00 C ATOM 236 CE2 PHE A 14 -9.114 23.504 7.556 1.00 0.00 C ATOM 237 CZ PHE A 14 -9.048 23.404 8.931 1.00 0.00 C ATOM 0 H PHE A 14 -7.042 20.277 5.098 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.333 19.169 7.663 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.150 20.146 5.476 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.861 19.239 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.900 20.050 9.219 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.152 22.444 5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.924 22.080 10.604 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.175 24.475 7.087 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.055 24.296 9.539 1.00 0.00 H new ATOM 247 N ASP A 15 -7.501 16.722 7.296 1.00 0.00 N ATOM 248 CA ASP A 15 -7.709 15.283 7.184 1.00 0.00 C ATOM 249 C ASP A 15 -9.150 14.914 7.521 1.00 0.00 C ATOM 250 O ASP A 15 -9.662 13.888 7.070 1.00 0.00 O ATOM 251 CB ASP A 15 -6.749 14.534 8.111 1.00 0.00 C ATOM 252 CG ASP A 15 -6.732 15.107 9.513 1.00 0.00 C ATOM 253 OD1 ASP A 15 -6.025 16.114 9.735 1.00 0.00 O ATOM 254 OD2 ASP A 15 -7.427 14.552 10.390 1.00 0.00 O ATOM 0 H ASP A 15 -6.931 17.005 8.093 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.509 14.991 6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.037 13.484 8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.743 14.572 7.694 1.00 0.00 H new ATOM 259 N HIS A 16 -9.801 15.757 8.317 1.00 0.00 N ATOM 260 CA HIS A 16 -11.184 15.520 8.714 1.00 0.00 C ATOM 261 C HIS A 16 -12.067 15.281 7.493 1.00 0.00 C ATOM 262 O HIS A 16 -13.073 14.574 7.570 1.00 0.00 O ATOM 263 CB HIS A 16 -11.716 16.706 9.518 1.00 0.00 C ATOM 264 CG HIS A 16 -11.205 16.754 10.926 1.00 0.00 C ATOM 265 ND1 HIS A 16 -10.948 17.932 11.593 1.00 0.00 N ATOM 266 CD2 HIS A 16 -10.905 15.759 11.793 1.00 0.00 C ATOM 267 CE1 HIS A 16 -10.511 17.661 12.810 1.00 0.00 C ATOM 268 NE2 HIS A 16 -10.476 16.349 12.956 1.00 0.00 N ATOM 0 H HIS A 16 -9.393 16.610 8.699 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.209 14.627 9.338 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -11.443 17.631 9.010 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.805 16.662 9.537 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.988 14.699 11.605 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -10.230 18.388 13.558 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.178 15.854 13.797 1.00 0.00 H new ATOM 276 N LEU A 17 -11.684 15.873 6.368 1.00 0.00 N ATOM 277 CA LEU A 17 -12.442 15.725 5.130 1.00 0.00 C ATOM 278 C LEU A 17 -12.691 14.253 4.816 1.00 0.00 C ATOM 279 O LEU A 17 -11.751 13.471 4.667 1.00 0.00 O ATOM 280 CB LEU A 17 -11.695 16.386 3.970 1.00 0.00 C ATOM 281 CG LEU A 17 -12.062 17.840 3.676 1.00 0.00 C ATOM 282 CD1 LEU A 17 -11.442 18.767 4.710 1.00 0.00 C ATOM 283 CD2 LEU A 17 -11.618 18.231 2.274 1.00 0.00 C ATOM 0 H LEU A 17 -10.854 16.460 6.287 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.406 16.217 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.626 16.337 4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.872 15.799 3.069 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.146 17.938 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.714 19.798 4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.810 18.504 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.357 18.665 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.888 19.270 2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.537 18.116 2.189 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.110 17.588 1.544 1.00 0.00 H new ATOM 295 N LEU A 18 -13.963 13.883 4.716 1.00 0.00 N ATOM 296 CA LEU A 18 -14.337 12.505 4.418 1.00 0.00 C ATOM 297 C LEU A 18 -13.615 12.003 3.171 1.00 0.00 C ATOM 298 O LEU A 18 -12.841 11.047 3.232 1.00 0.00 O ATOM 299 CB LEU A 18 -15.850 12.397 4.224 1.00 0.00 C ATOM 300 CG LEU A 18 -16.713 12.944 5.361 1.00 0.00 C ATOM 301 CD1 LEU A 18 -18.082 13.356 4.843 1.00 0.00 C ATOM 302 CD2 LEU A 18 -16.850 11.911 6.471 1.00 0.00 C ATOM 0 H LEU A 18 -14.752 14.518 4.837 1.00 0.00 H new ATOM 0 HA LEU A 18 -14.040 11.883 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.117 12.922 3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.103 11.347 4.075 1.00 0.00 H new ATOM 0 HG LEU A 18 -16.222 13.827 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.682 13.743 5.667 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.966 14.130 4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.581 12.491 4.406 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.467 12.317 7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -17.318 11.010 6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -15.863 11.665 6.863 1.00 0.00 H new ATOM 314 N ILE A 19 -13.873 12.653 2.042 1.00 0.00 N ATOM 315 CA ILE A 19 -13.246 12.275 0.781 1.00 0.00 C ATOM 316 C ILE A 19 -11.732 12.176 0.928 1.00 0.00 C ATOM 317 O ILE A 19 -11.115 11.219 0.462 1.00 0.00 O ATOM 318 CB ILE A 19 -13.578 13.281 -0.337 1.00 0.00 C ATOM 319 CG1 ILE A 19 -15.072 13.234 -0.668 1.00 0.00 C ATOM 320 CG2 ILE A 19 -12.747 12.988 -1.576 1.00 0.00 C ATOM 321 CD1 ILE A 19 -15.523 11.909 -1.242 1.00 0.00 C ATOM 0 H ILE A 19 -14.512 13.445 1.974 1.00 0.00 H new ATOM 0 HA ILE A 19 -13.647 11.298 0.510 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.333 14.284 0.012 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -15.643 13.442 0.237 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -15.303 14.027 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.993 13.707 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.688 13.066 -1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.964 11.980 -1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -16.592 11.948 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -14.979 11.708 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -15.324 11.114 -0.523 1.00 0.00 H new ATOM 333 N GLU A 20 -11.141 13.173 1.581 1.00 0.00 N ATOM 334 CA GLU A 20 -9.698 13.198 1.790 1.00 0.00 C ATOM 335 C GLU A 20 -9.215 11.887 2.405 1.00 0.00 C ATOM 336 O GLU A 20 -8.309 11.241 1.880 1.00 0.00 O ATOM 337 CB GLU A 20 -9.311 14.371 2.694 1.00 0.00 C ATOM 338 CG GLU A 20 -9.260 15.705 1.969 1.00 0.00 C ATOM 339 CD GLU A 20 -8.337 15.681 0.767 1.00 0.00 C ATOM 340 OE1 GLU A 20 -7.122 15.459 0.957 1.00 0.00 O ATOM 341 OE2 GLU A 20 -8.826 15.886 -0.363 1.00 0.00 O ATOM 0 H GLU A 20 -11.639 13.972 1.973 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.218 13.323 0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.027 14.439 3.513 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.336 14.171 3.138 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.265 15.977 1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.928 16.478 2.662 1.00 0.00 H new ATOM 348 N GLN A 21 -9.826 11.503 3.521 1.00 0.00 N ATOM 349 CA GLN A 21 -9.457 10.272 4.209 1.00 0.00 C ATOM 350 C GLN A 21 -9.680 9.059 3.311 1.00 0.00 C ATOM 351 O GLN A 21 -8.894 8.112 3.323 1.00 0.00 O ATOM 352 CB GLN A 21 -10.266 10.120 5.498 1.00 0.00 C ATOM 353 CG GLN A 21 -9.706 10.917 6.665 1.00 0.00 C ATOM 354 CD GLN A 21 -10.784 11.383 7.624 1.00 0.00 C ATOM 355 OE1 GLN A 21 -11.768 12.002 7.218 1.00 0.00 O ATOM 356 NE2 GLN A 21 -10.604 11.088 8.906 1.00 0.00 N ATOM 0 H GLN A 21 -10.579 12.027 3.968 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.397 10.329 4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.293 10.436 5.312 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.302 9.066 5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.984 10.304 7.205 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.166 11.783 6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -9.774 10.573 9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.296 11.376 9.598 1.00 0.00 H new ATOM 365 N ALA A 22 -10.755 9.096 2.531 1.00 0.00 N ATOM 366 CA ALA A 22 -11.080 8.002 1.625 1.00 0.00 C ATOM 367 C ALA A 22 -9.995 7.823 0.569 1.00 0.00 C ATOM 368 O ALA A 22 -9.535 6.710 0.321 1.00 0.00 O ATOM 369 CB ALA A 22 -12.428 8.246 0.962 1.00 0.00 C ATOM 0 H ALA A 22 -11.416 9.873 2.508 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.137 7.084 2.211 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.657 7.420 0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.202 8.316 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.392 9.177 0.396 1.00 0.00 H new ATOM 375 N ASN A 23 -9.591 8.927 -0.051 1.00 0.00 N ATOM 376 CA ASN A 23 -8.561 8.891 -1.083 1.00 0.00 C ATOM 377 C ASN A 23 -7.239 8.387 -0.512 1.00 0.00 C ATOM 378 O ASN A 23 -6.538 7.596 -1.145 1.00 0.00 O ATOM 379 CB ASN A 23 -8.370 10.283 -1.690 1.00 0.00 C ATOM 380 CG ASN A 23 -9.098 10.442 -3.011 1.00 0.00 C ATOM 381 OD1 ASN A 23 -8.554 10.137 -4.072 1.00 0.00 O ATOM 382 ND2 ASN A 23 -10.335 10.922 -2.950 1.00 0.00 N ATOM 0 H ASN A 23 -9.961 9.857 0.143 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.886 8.203 -1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.729 11.035 -0.988 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.306 10.468 -1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.875 11.051 -3.806 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.745 11.161 -2.047 1.00 0.00 H new ATOM 389 N HIS A 24 -6.903 8.850 0.687 1.00 0.00 N ATOM 390 CA HIS A 24 -5.665 8.445 1.345 1.00 0.00 C ATOM 391 C HIS A 24 -5.683 6.954 1.666 1.00 0.00 C ATOM 392 O HIS A 24 -4.673 6.266 1.521 1.00 0.00 O ATOM 393 CB HIS A 24 -5.455 9.254 2.626 1.00 0.00 C ATOM 394 CG HIS A 24 -4.984 10.653 2.380 1.00 0.00 C ATOM 395 ND1 HIS A 24 -4.402 11.434 3.358 1.00 0.00 N ATOM 396 CD2 HIS A 24 -5.011 11.413 1.261 1.00 0.00 C ATOM 397 CE1 HIS A 24 -4.092 12.613 2.849 1.00 0.00 C ATOM 398 NE2 HIS A 24 -4.451 12.626 1.578 1.00 0.00 N ATOM 0 H HIS A 24 -7.470 9.506 1.224 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.838 8.641 0.662 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.392 9.287 3.182 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.728 8.740 3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.401 11.120 0.297 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -3.624 13.428 3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -4.332 13.410 0.936 1.00 0.00 H new ATOM 406 N ALA A 25 -6.837 6.462 2.105 1.00 0.00 N ATOM 407 CA ALA A 25 -6.987 5.053 2.445 1.00 0.00 C ATOM 408 C ALA A 25 -6.809 4.169 1.216 1.00 0.00 C ATOM 409 O ALA A 25 -6.028 3.216 1.233 1.00 0.00 O ATOM 410 CB ALA A 25 -8.346 4.806 3.083 1.00 0.00 C ATOM 0 H ALA A 25 -7.682 7.019 2.233 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.208 4.793 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.444 3.749 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.436 5.403 3.991 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.133 5.089 2.384 1.00 0.00 H new ATOM 416 N ILE A 26 -7.536 4.490 0.152 1.00 0.00 N ATOM 417 CA ILE A 26 -7.457 3.724 -1.086 1.00 0.00 C ATOM 418 C ILE A 26 -6.067 3.821 -1.705 1.00 0.00 C ATOM 419 O ILE A 26 -5.591 2.878 -2.335 1.00 0.00 O ATOM 420 CB ILE A 26 -8.499 4.205 -2.113 1.00 0.00 C ATOM 421 CG1 ILE A 26 -8.258 5.674 -2.467 1.00 0.00 C ATOM 422 CG2 ILE A 26 -9.908 4.010 -1.570 1.00 0.00 C ATOM 423 CD1 ILE A 26 -9.242 6.221 -3.478 1.00 0.00 C ATOM 0 H ILE A 26 -8.186 5.275 0.122 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.665 2.686 -0.828 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.394 3.610 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.313 6.272 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -7.247 5.784 -2.860 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.633 4.355 -2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.075 2.953 -1.363 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.026 4.583 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.011 7.267 -3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.171 5.647 -4.402 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.254 6.144 -3.080 1.00 0.00 H new ATOM 435 N GLU A 27 -5.422 4.969 -1.520 1.00 0.00 N ATOM 436 CA GLU A 27 -4.086 5.188 -2.061 1.00 0.00 C ATOM 437 C GLU A 27 -3.071 4.262 -1.397 1.00 0.00 C ATOM 438 O GLU A 27 -2.401 3.475 -2.065 1.00 0.00 O ATOM 439 CB GLU A 27 -3.666 6.647 -1.864 1.00 0.00 C ATOM 440 CG GLU A 27 -4.122 7.568 -2.983 1.00 0.00 C ATOM 441 CD GLU A 27 -3.930 9.034 -2.648 1.00 0.00 C ATOM 442 OE1 GLU A 27 -3.568 9.334 -1.490 1.00 0.00 O ATOM 443 OE2 GLU A 27 -4.142 9.880 -3.541 1.00 0.00 O ATOM 0 H GLU A 27 -5.803 5.760 -1.001 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.112 4.964 -3.128 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.072 7.009 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.580 6.696 -1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.568 7.331 -3.891 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.175 7.383 -3.194 1.00 0.00 H new ATOM 450 N LYS A 28 -2.964 4.361 -0.075 1.00 0.00 N ATOM 451 CA LYS A 28 -2.033 3.533 0.681 1.00 0.00 C ATOM 452 C LYS A 28 -2.312 2.051 0.450 1.00 0.00 C ATOM 453 O LYS A 28 -1.391 1.261 0.247 1.00 0.00 O ATOM 454 CB LYS A 28 -2.130 3.854 2.175 1.00 0.00 C ATOM 455 CG LYS A 28 -1.215 3.005 3.040 1.00 0.00 C ATOM 456 CD LYS A 28 -1.126 3.549 4.457 1.00 0.00 C ATOM 457 CE LYS A 28 -0.080 4.647 4.567 1.00 0.00 C ATOM 458 NZ LYS A 28 -0.145 5.345 5.880 1.00 0.00 N ATOM 0 H LYS A 28 -3.511 5.007 0.494 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.024 3.754 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.888 4.906 2.329 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.160 3.712 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.584 1.980 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.219 2.974 2.598 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.098 3.939 4.760 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.879 2.740 5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.913 4.218 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.226 5.369 3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.584 6.086 5.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.084 5.777 5.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.020 4.661 6.646 1.00 0.00 H new ATOM 472 N GLY A 29 -3.588 1.681 0.482 1.00 0.00 N ATOM 473 CA GLY A 29 -3.966 0.296 0.273 1.00 0.00 C ATOM 474 C GLY A 29 -3.651 -0.186 -1.129 1.00 0.00 C ATOM 475 O GLY A 29 -3.284 -1.344 -1.326 1.00 0.00 O ATOM 0 H GLY A 29 -4.368 2.317 0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.445 -0.332 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.033 0.181 0.462 1.00 0.00 H new ATOM 479 N GLU A 30 -3.796 0.704 -2.105 1.00 0.00 N ATOM 480 CA GLU A 30 -3.527 0.363 -3.497 1.00 0.00 C ATOM 481 C GLU A 30 -2.034 0.143 -3.725 1.00 0.00 C ATOM 482 O GLU A 30 -1.633 -0.727 -4.498 1.00 0.00 O ATOM 483 CB GLU A 30 -4.039 1.466 -4.425 1.00 0.00 C ATOM 484 CG GLU A 30 -3.914 1.127 -5.901 1.00 0.00 C ATOM 485 CD GLU A 30 -2.820 1.921 -6.591 1.00 0.00 C ATOM 486 OE1 GLU A 30 -1.844 2.299 -5.910 1.00 0.00 O ATOM 487 OE2 GLU A 30 -2.941 2.161 -7.810 1.00 0.00 O ATOM 0 H GLU A 30 -4.098 1.667 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.052 -0.565 -3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.085 1.666 -4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.487 2.384 -4.224 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.708 0.062 -6.009 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.866 1.320 -6.396 1.00 0.00 H new ATOM 494 N HIS A 31 -1.215 0.940 -3.045 1.00 0.00 N ATOM 495 CA HIS A 31 0.235 0.834 -3.172 1.00 0.00 C ATOM 496 C HIS A 31 0.745 -0.446 -2.517 1.00 0.00 C ATOM 497 O HIS A 31 1.455 -1.233 -3.143 1.00 0.00 O ATOM 498 CB HIS A 31 0.913 2.050 -2.541 1.00 0.00 C ATOM 499 CG HIS A 31 0.739 3.311 -3.330 1.00 0.00 C ATOM 500 ND1 HIS A 31 0.230 4.472 -2.789 1.00 0.00 N ATOM 501 CD2 HIS A 31 1.012 3.588 -4.626 1.00 0.00 C ATOM 502 CE1 HIS A 31 0.194 5.410 -3.720 1.00 0.00 C ATOM 503 NE2 HIS A 31 0.664 4.898 -4.844 1.00 0.00 N ATOM 0 H HIS A 31 -1.530 1.666 -2.401 1.00 0.00 H new ATOM 0 HA HIS A 31 0.481 0.801 -4.233 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.511 2.200 -1.539 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.978 1.845 -2.430 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.426 2.906 -5.353 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -0.159 6.422 -3.585 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.754 5.395 -5.730 1.00 0.00 H new ATOM 511 N GLN A 32 0.380 -0.646 -1.255 1.00 0.00 N ATOM 512 CA GLN A 32 0.803 -1.829 -0.516 1.00 0.00 C ATOM 513 C GLN A 32 0.272 -3.099 -1.172 1.00 0.00 C ATOM 514 O GLN A 32 0.947 -4.130 -1.191 1.00 0.00 O ATOM 515 CB GLN A 32 0.321 -1.751 0.934 1.00 0.00 C ATOM 516 CG GLN A 32 -1.188 -1.861 1.080 1.00 0.00 C ATOM 517 CD GLN A 32 -1.665 -3.298 1.141 1.00 0.00 C ATOM 518 OE1 GLN A 32 -2.564 -3.697 0.401 1.00 0.00 O ATOM 519 NE2 GLN A 32 -1.064 -4.084 2.027 1.00 0.00 N ATOM 0 H GLN A 32 -0.208 -0.004 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 32 1.892 -1.863 -0.528 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.792 -2.549 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.652 -0.807 1.368 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.501 -1.340 1.985 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.668 -1.358 0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.323 -3.711 2.620 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.343 -5.061 2.114 1.00 0.00 H new ATOM 528 N LEU A 33 -0.940 -3.020 -1.709 1.00 0.00 N ATOM 529 CA LEU A 33 -1.564 -4.164 -2.367 1.00 0.00 C ATOM 530 C LEU A 33 -0.856 -4.489 -3.678 1.00 0.00 C ATOM 531 O LEU A 33 -0.549 -5.648 -3.959 1.00 0.00 O ATOM 532 CB LEU A 33 -3.044 -3.882 -2.629 1.00 0.00 C ATOM 533 CG LEU A 33 -3.837 -5.015 -3.281 1.00 0.00 C ATOM 534 CD1 LEU A 33 -3.666 -4.984 -4.792 1.00 0.00 C ATOM 535 CD2 LEU A 33 -3.404 -6.362 -2.720 1.00 0.00 C ATOM 0 H LEU A 33 -1.511 -2.175 -1.702 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.477 -5.025 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.519 -3.632 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.118 -3.000 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.893 -4.872 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.237 -5.797 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.027 -4.031 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.611 -5.101 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.979 -7.156 -3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.343 -6.514 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.579 -6.382 -1.644 1.00 0.00 H new ATOM 547 N LEU A 34 -0.600 -3.459 -4.477 1.00 0.00 N ATOM 548 CA LEU A 34 0.075 -3.635 -5.759 1.00 0.00 C ATOM 549 C LEU A 34 1.447 -4.272 -5.570 1.00 0.00 C ATOM 550 O LEU A 34 1.822 -5.192 -6.298 1.00 0.00 O ATOM 551 CB LEU A 34 0.218 -2.288 -6.470 1.00 0.00 C ATOM 552 CG LEU A 34 -1.027 -1.774 -7.194 1.00 0.00 C ATOM 553 CD1 LEU A 34 -0.834 -0.330 -7.629 1.00 0.00 C ATOM 554 CD2 LEU A 34 -1.351 -2.656 -8.391 1.00 0.00 C ATOM 0 H LEU A 34 -0.849 -2.494 -4.260 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.531 -4.301 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.520 -1.542 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.028 -2.367 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.868 -1.813 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.730 0.018 -8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.653 0.293 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.019 -0.264 -8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.240 -2.275 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.511 -2.650 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.535 -3.676 -8.052 1.00 0.00 H new ATOM 566 N TYR A 35 2.193 -3.778 -4.587 1.00 0.00 N ATOM 567 CA TYR A 35 3.524 -4.299 -4.302 1.00 0.00 C ATOM 568 C TYR A 35 3.442 -5.674 -3.647 1.00 0.00 C ATOM 569 O TYR A 35 4.302 -6.531 -3.862 1.00 0.00 O ATOM 570 CB TYR A 35 4.289 -3.334 -3.395 1.00 0.00 C ATOM 571 CG TYR A 35 5.630 -3.866 -2.939 1.00 0.00 C ATOM 572 CD1 TYR A 35 6.767 -3.698 -3.719 1.00 0.00 C ATOM 573 CD2 TYR A 35 5.759 -4.536 -1.729 1.00 0.00 C ATOM 574 CE1 TYR A 35 7.994 -4.181 -3.307 1.00 0.00 C ATOM 575 CE2 TYR A 35 6.981 -5.022 -1.308 1.00 0.00 C ATOM 576 CZ TYR A 35 8.096 -4.842 -2.101 1.00 0.00 C ATOM 577 OH TYR A 35 9.315 -5.327 -1.685 1.00 0.00 O ATOM 0 H TYR A 35 1.898 -3.018 -3.975 1.00 0.00 H new ATOM 0 HA TYR A 35 4.058 -4.398 -5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.442 -2.394 -3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.679 -3.111 -2.520 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.690 -3.181 -4.664 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.888 -4.679 -1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 35 8.868 -4.042 -3.926 1.00 0.00 H new ATOM 0 HE2 TYR A 35 7.064 -5.540 -0.364 1.00 0.00 H new ATOM 0 HH TYR A 35 9.213 -5.765 -0.814 1.00 0.00 H new ATOM 587 N LEU A 36 2.402 -5.880 -2.846 1.00 0.00 N ATOM 588 CA LEU A 36 2.205 -7.152 -2.158 1.00 0.00 C ATOM 589 C LEU A 36 1.852 -8.257 -3.148 1.00 0.00 C ATOM 590 O LEU A 36 2.176 -9.423 -2.930 1.00 0.00 O ATOM 591 CB LEU A 36 1.102 -7.019 -1.107 1.00 0.00 C ATOM 592 CG LEU A 36 0.791 -8.280 -0.299 1.00 0.00 C ATOM 593 CD1 LEU A 36 2.063 -8.857 0.302 1.00 0.00 C ATOM 594 CD2 LEU A 36 -0.227 -7.976 0.792 1.00 0.00 C ATOM 0 H LEU A 36 1.682 -5.183 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 36 3.139 -7.419 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.382 -6.227 -0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.188 -6.697 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 36 0.363 -9.023 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.821 -9.753 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.760 -9.112 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.521 -8.119 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.437 -8.884 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.174 -7.216 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.148 -7.610 0.338 1.00 0.00 H new ATOM 606 N GLN A 37 1.187 -7.880 -4.235 1.00 0.00 N ATOM 607 CA GLN A 37 0.791 -8.840 -5.259 1.00 0.00 C ATOM 608 C GLN A 37 1.983 -9.680 -5.708 1.00 0.00 C ATOM 609 O GLN A 37 1.864 -10.889 -5.904 1.00 0.00 O ATOM 610 CB GLN A 37 0.181 -8.115 -6.459 1.00 0.00 C ATOM 611 CG GLN A 37 -1.056 -8.798 -7.019 1.00 0.00 C ATOM 612 CD GLN A 37 -1.930 -7.857 -7.823 1.00 0.00 C ATOM 613 OE1 GLN A 37 -1.764 -7.722 -9.035 1.00 0.00 O ATOM 614 NE2 GLN A 37 -2.867 -7.199 -7.151 1.00 0.00 N ATOM 0 H GLN A 37 0.911 -6.917 -4.429 1.00 0.00 H new ATOM 0 HA GLN A 37 0.043 -9.506 -4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.078 -7.098 -6.165 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.931 -8.038 -7.246 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.751 -9.632 -7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.638 -9.216 -6.198 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.969 -7.342 -6.146 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.485 -6.551 -7.640 1.00 0.00 H new ATOM 623 N HIS A 38 3.131 -9.030 -5.870 1.00 0.00 N ATOM 624 CA HIS A 38 4.345 -9.716 -6.297 1.00 0.00 C ATOM 625 C HIS A 38 4.756 -10.775 -5.278 1.00 0.00 C ATOM 626 O HIS A 38 4.980 -11.934 -5.630 1.00 0.00 O ATOM 627 CB HIS A 38 5.481 -8.712 -6.493 1.00 0.00 C ATOM 628 CG HIS A 38 6.453 -9.110 -7.562 1.00 0.00 C ATOM 629 ND1 HIS A 38 7.099 -10.328 -7.576 1.00 0.00 N ATOM 630 CD2 HIS A 38 6.885 -8.443 -8.657 1.00 0.00 C ATOM 631 CE1 HIS A 38 7.888 -10.393 -8.633 1.00 0.00 C ATOM 632 NE2 HIS A 38 7.776 -9.262 -9.306 1.00 0.00 N ATOM 0 H HIS A 38 3.246 -8.029 -5.712 1.00 0.00 H new ATOM 0 HA HIS A 38 4.140 -10.210 -7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.057 -7.740 -6.743 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.017 -8.594 -5.551 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.585 -7.452 -8.963 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.518 -11.229 -8.901 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.271 -9.034 -10.168 1.00 0.00 H new ATOM 640 N GLN A 39 4.853 -10.369 -4.016 1.00 0.00 N ATOM 641 CA GLN A 39 5.239 -11.284 -2.948 1.00 0.00 C ATOM 642 C GLN A 39 4.340 -12.515 -2.935 1.00 0.00 C ATOM 643 O GLN A 39 4.812 -13.640 -2.760 1.00 0.00 O ATOM 644 CB GLN A 39 5.174 -10.576 -1.594 1.00 0.00 C ATOM 645 CG GLN A 39 6.226 -9.492 -1.422 1.00 0.00 C ATOM 646 CD GLN A 39 7.617 -9.965 -1.799 1.00 0.00 C ATOM 647 OE1 GLN A 39 8.082 -11.002 -1.327 1.00 0.00 O ATOM 648 NE2 GLN A 39 8.289 -9.204 -2.654 1.00 0.00 N ATOM 0 H GLN A 39 4.670 -9.414 -3.708 1.00 0.00 H new ATOM 0 HA GLN A 39 6.264 -11.607 -3.133 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.185 -10.134 -1.472 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.293 -11.315 -0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.960 -8.632 -2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.229 -9.155 -0.385 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.865 -8.352 -3.021 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.230 -9.471 -2.944 1.00 0.00 H new ATOM 657 N LEU A 40 3.043 -12.297 -3.119 1.00 0.00 N ATOM 658 CA LEU A 40 2.076 -13.390 -3.129 1.00 0.00 C ATOM 659 C LEU A 40 2.327 -14.329 -4.304 1.00 0.00 C ATOM 660 O LEU A 40 2.368 -15.548 -4.140 1.00 0.00 O ATOM 661 CB LEU A 40 0.652 -12.837 -3.198 1.00 0.00 C ATOM 662 CG LEU A 40 -0.437 -13.833 -3.599 1.00 0.00 C ATOM 663 CD1 LEU A 40 -1.689 -13.618 -2.765 1.00 0.00 C ATOM 664 CD2 LEU A 40 -0.753 -13.709 -5.083 1.00 0.00 C ATOM 0 H LEU A 40 2.636 -11.373 -3.263 1.00 0.00 H new ATOM 0 HA LEU A 40 2.195 -13.955 -2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.397 -12.424 -2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.639 -12.010 -3.908 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.069 -14.841 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.453 -14.335 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.452 -13.759 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.061 -12.605 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.530 -14.425 -5.351 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.101 -12.699 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.146 -13.914 -5.665 1.00 0.00 H new ATOM 676 N ASP A 41 2.496 -13.753 -5.489 1.00 0.00 N ATOM 677 CA ASP A 41 2.746 -14.537 -6.692 1.00 0.00 C ATOM 678 C ASP A 41 3.938 -15.469 -6.495 1.00 0.00 C ATOM 679 O ASP A 41 3.872 -16.653 -6.822 1.00 0.00 O ATOM 680 CB ASP A 41 2.997 -13.614 -7.886 1.00 0.00 C ATOM 681 CG ASP A 41 1.712 -13.199 -8.576 1.00 0.00 C ATOM 682 OD1 ASP A 41 0.926 -14.093 -8.953 1.00 0.00 O ATOM 683 OD2 ASP A 41 1.493 -11.980 -8.739 1.00 0.00 O ATOM 0 H ASP A 41 2.464 -12.745 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 41 1.862 -15.143 -6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.529 -12.724 -7.549 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.644 -14.119 -8.603 1.00 0.00 H new ATOM 688 N GLU A 42 5.026 -14.925 -5.959 1.00 0.00 N ATOM 689 CA GLU A 42 6.233 -15.707 -5.721 1.00 0.00 C ATOM 690 C GLU A 42 6.043 -16.655 -4.541 1.00 0.00 C ATOM 691 O GLU A 42 6.658 -17.720 -4.479 1.00 0.00 O ATOM 692 CB GLU A 42 7.424 -14.783 -5.460 1.00 0.00 C ATOM 693 CG GLU A 42 7.324 -14.014 -4.154 1.00 0.00 C ATOM 694 CD GLU A 42 8.610 -13.296 -3.799 1.00 0.00 C ATOM 695 OE1 GLU A 42 8.900 -12.253 -4.422 1.00 0.00 O ATOM 696 OE2 GLU A 42 9.330 -13.778 -2.897 1.00 0.00 O ATOM 0 H GLU A 42 5.096 -13.946 -5.681 1.00 0.00 H new ATOM 0 HA GLU A 42 6.432 -16.300 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.338 -15.376 -5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.510 -14.074 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.515 -13.287 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.063 -14.703 -3.350 1.00 0.00 H new ATOM 703 N LEU A 43 5.187 -16.260 -3.605 1.00 0.00 N ATOM 704 CA LEU A 43 4.913 -17.073 -2.425 1.00 0.00 C ATOM 705 C LEU A 43 4.137 -18.332 -2.798 1.00 0.00 C ATOM 706 O LEU A 43 4.281 -19.373 -2.160 1.00 0.00 O ATOM 707 CB LEU A 43 4.127 -16.262 -1.394 1.00 0.00 C ATOM 708 CG LEU A 43 3.321 -17.072 -0.376 1.00 0.00 C ATOM 709 CD1 LEU A 43 3.276 -16.352 0.962 1.00 0.00 C ATOM 710 CD2 LEU A 43 1.913 -17.327 -0.894 1.00 0.00 C ATOM 0 H LEU A 43 4.670 -15.381 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 43 5.867 -17.373 -1.992 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.827 -15.627 -0.851 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.443 -15.601 -1.926 1.00 0.00 H new ATOM 0 HG LEU A 43 3.814 -18.033 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.699 -16.942 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.290 -16.220 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.806 -15.377 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.353 -17.904 -0.158 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.411 -16.375 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.965 -17.885 -1.829 1.00 0.00 H new ATOM 722 N ASN A 44 3.316 -18.228 -3.839 1.00 0.00 N ATOM 723 CA ASN A 44 2.517 -19.358 -4.298 1.00 0.00 C ATOM 724 C ASN A 44 3.405 -20.561 -4.606 1.00 0.00 C ATOM 725 O ASN A 44 3.077 -21.693 -4.249 1.00 0.00 O ATOM 726 CB ASN A 44 1.716 -18.971 -5.542 1.00 0.00 C ATOM 727 CG ASN A 44 0.670 -17.910 -5.249 1.00 0.00 C ATOM 728 OD1 ASN A 44 0.491 -17.500 -4.103 1.00 0.00 O ATOM 729 ND2 ASN A 44 -0.025 -17.463 -6.288 1.00 0.00 N ATOM 0 H ASN A 44 3.187 -17.373 -4.380 1.00 0.00 H new ATOM 0 HA ASN A 44 1.827 -19.631 -3.500 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.397 -18.604 -6.310 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.227 -19.857 -5.947 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.742 -16.750 -6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.158 -17.832 -7.221 1.00 0.00 H new ATOM 736 N GLU A 45 4.528 -20.307 -5.269 1.00 0.00 N ATOM 737 CA GLU A 45 5.462 -21.369 -5.625 1.00 0.00 C ATOM 738 C GLU A 45 6.501 -21.571 -4.525 1.00 0.00 C ATOM 739 O GLU A 45 6.771 -22.697 -4.112 1.00 0.00 O ATOM 740 CB GLU A 45 6.159 -21.044 -6.948 1.00 0.00 C ATOM 741 CG GLU A 45 6.772 -22.258 -7.627 1.00 0.00 C ATOM 742 CD GLU A 45 7.074 -22.014 -9.093 1.00 0.00 C ATOM 743 OE1 GLU A 45 7.908 -21.133 -9.387 1.00 0.00 O ATOM 744 OE2 GLU A 45 6.477 -22.705 -9.945 1.00 0.00 O ATOM 0 H GLU A 45 4.814 -19.375 -5.571 1.00 0.00 H new ATOM 0 HA GLU A 45 4.895 -22.293 -5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.439 -20.584 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.941 -20.307 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.692 -22.533 -7.111 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.091 -23.104 -7.536 1.00 0.00 H new ATOM 751 N ASN A 46 7.080 -20.469 -4.057 1.00 0.00 N ATOM 752 CA ASN A 46 8.090 -20.524 -3.008 1.00 0.00 C ATOM 753 C ASN A 46 7.567 -21.275 -1.788 1.00 0.00 C ATOM 754 O ASN A 46 8.310 -21.999 -1.125 1.00 0.00 O ATOM 755 CB ASN A 46 8.516 -19.110 -2.606 1.00 0.00 C ATOM 756 CG ASN A 46 9.801 -19.100 -1.802 1.00 0.00 C ATOM 757 OD1 ASN A 46 10.082 -20.031 -1.047 1.00 0.00 O ATOM 758 ND2 ASN A 46 10.591 -18.043 -1.961 1.00 0.00 N ATOM 0 H ASN A 46 6.866 -19.528 -4.388 1.00 0.00 H new ATOM 0 HA ASN A 46 8.955 -21.060 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.647 -18.504 -3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.721 -18.646 -2.021 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.470 -17.981 -1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.319 -17.294 -2.598 1.00 0.00 H new ATOM 765 N LYS A 47 6.282 -21.098 -1.497 1.00 0.00 N ATOM 766 CA LYS A 47 5.657 -21.761 -0.358 1.00 0.00 C ATOM 767 C LYS A 47 6.475 -21.549 0.911 1.00 0.00 C ATOM 768 O LYS A 47 6.561 -22.436 1.761 1.00 0.00 O ATOM 769 CB LYS A 47 5.502 -23.259 -0.635 1.00 0.00 C ATOM 770 CG LYS A 47 4.749 -23.565 -1.917 1.00 0.00 C ATOM 771 CD LYS A 47 3.247 -23.581 -1.692 1.00 0.00 C ATOM 772 CE LYS A 47 2.537 -24.450 -2.719 1.00 0.00 C ATOM 773 NZ LYS A 47 1.506 -25.321 -2.091 1.00 0.00 N ATOM 0 H LYS A 47 5.653 -20.501 -2.034 1.00 0.00 H new ATOM 0 HA LYS A 47 4.670 -21.322 -0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.491 -23.715 -0.687 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.981 -23.723 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.997 -22.819 -2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.070 -24.531 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.032 -23.952 -0.690 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.860 -22.564 -1.745 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.067 -23.815 -3.470 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.268 -25.069 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.045 -25.897 -2.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.958 -25.945 -1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.794 -24.730 -1.617 1.00 0.00 H new ATOM 787 N SER A 48 7.075 -20.369 1.034 1.00 0.00 N ATOM 788 CA SER A 48 7.888 -20.043 2.199 1.00 0.00 C ATOM 789 C SER A 48 7.008 -19.750 3.410 1.00 0.00 C ATOM 790 O SER A 48 6.211 -18.813 3.403 1.00 0.00 O ATOM 791 CB SER A 48 8.783 -18.837 1.901 1.00 0.00 C ATOM 792 OG SER A 48 9.497 -18.434 3.057 1.00 0.00 O ATOM 0 H SER A 48 7.013 -19.623 0.341 1.00 0.00 H new ATOM 0 HA SER A 48 8.515 -20.905 2.427 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.485 -19.089 1.106 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.174 -18.009 1.539 1.00 0.00 H new ATOM 0 HG SER A 48 10.062 -17.663 2.840 1.00 0.00 H new ATOM 798 N LYS A 49 7.160 -20.560 4.453 1.00 0.00 N ATOM 799 CA LYS A 49 6.383 -20.390 5.675 1.00 0.00 C ATOM 800 C LYS A 49 6.587 -18.997 6.260 1.00 0.00 C ATOM 801 O LYS A 49 5.659 -18.402 6.807 1.00 0.00 O ATOM 802 CB LYS A 49 6.776 -21.451 6.705 1.00 0.00 C ATOM 803 CG LYS A 49 8.277 -21.609 6.875 1.00 0.00 C ATOM 804 CD LYS A 49 8.767 -22.930 6.307 1.00 0.00 C ATOM 805 CE LYS A 49 10.074 -22.759 5.548 1.00 0.00 C ATOM 806 NZ LYS A 49 9.871 -22.821 4.073 1.00 0.00 N ATOM 0 H LYS A 49 7.815 -21.341 4.476 1.00 0.00 H new ATOM 0 HA LYS A 49 5.329 -20.508 5.425 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.335 -21.191 7.668 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.350 -22.409 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.789 -20.786 6.377 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.532 -21.550 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.906 -23.646 7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.010 -23.344 5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.525 -21.803 5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.775 -23.537 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.398 -23.629 3.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.858 -22.936 3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.215 -21.941 3.638 1.00 0.00 H new ATOM 820 N GLU A 50 7.807 -18.483 6.141 1.00 0.00 N ATOM 821 CA GLU A 50 8.131 -17.158 6.658 1.00 0.00 C ATOM 822 C GLU A 50 7.423 -16.072 5.855 1.00 0.00 C ATOM 823 O GLU A 50 6.734 -15.219 6.415 1.00 0.00 O ATOM 824 CB GLU A 50 9.643 -16.930 6.625 1.00 0.00 C ATOM 825 CG GLU A 50 10.397 -17.678 7.712 1.00 0.00 C ATOM 826 CD GLU A 50 11.897 -17.670 7.493 1.00 0.00 C ATOM 827 OE1 GLU A 50 12.516 -16.600 7.667 1.00 0.00 O ATOM 828 OE2 GLU A 50 12.452 -18.734 7.148 1.00 0.00 O ATOM 0 H GLU A 50 8.587 -18.963 5.692 1.00 0.00 H new ATOM 0 HA GLU A 50 7.785 -17.104 7.690 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.027 -17.237 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.843 -15.863 6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.173 -17.229 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.045 -18.709 7.750 1.00 0.00 H new ATOM 835 N LEU A 51 7.599 -16.108 4.539 1.00 0.00 N ATOM 836 CA LEU A 51 6.978 -15.128 3.656 1.00 0.00 C ATOM 837 C LEU A 51 5.464 -15.105 3.845 1.00 0.00 C ATOM 838 O LEU A 51 4.837 -14.049 3.777 1.00 0.00 O ATOM 839 CB LEU A 51 7.316 -15.438 2.197 1.00 0.00 C ATOM 840 CG LEU A 51 6.672 -14.529 1.150 1.00 0.00 C ATOM 841 CD1 LEU A 51 6.898 -13.067 1.501 1.00 0.00 C ATOM 842 CD2 LEU A 51 7.220 -14.838 -0.236 1.00 0.00 C ATOM 0 H LEU A 51 8.167 -16.806 4.060 1.00 0.00 H new ATOM 0 HA LEU A 51 7.373 -14.145 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 51 8.398 -15.387 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.021 -16.466 1.987 1.00 0.00 H new ATOM 0 HG LEU A 51 5.599 -14.718 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.433 -12.435 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.456 -12.854 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.968 -12.862 1.536 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.750 -14.181 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.298 -14.678 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.005 -15.876 -0.489 1.00 0.00 H new ATOM 854 N GLN A 52 4.886 -16.278 4.085 1.00 0.00 N ATOM 855 CA GLN A 52 3.446 -16.392 4.286 1.00 0.00 C ATOM 856 C GLN A 52 3.029 -15.751 5.605 1.00 0.00 C ATOM 857 O GLN A 52 2.195 -14.846 5.629 1.00 0.00 O ATOM 858 CB GLN A 52 3.022 -17.862 4.263 1.00 0.00 C ATOM 859 CG GLN A 52 1.527 -18.059 4.070 1.00 0.00 C ATOM 860 CD GLN A 52 1.013 -19.314 4.749 1.00 0.00 C ATOM 861 OE1 GLN A 52 0.432 -19.254 5.832 1.00 0.00 O ATOM 862 NE2 GLN A 52 1.224 -20.461 4.113 1.00 0.00 N ATOM 0 H GLN A 52 5.392 -17.162 4.145 1.00 0.00 H new ATOM 0 HA GLN A 52 2.947 -15.864 3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.554 -18.373 3.461 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.325 -18.334 5.198 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.996 -17.193 4.465 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.305 -18.110 3.004 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.710 -20.465 3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.900 -21.338 4.521 1.00 0.00 H new ATOM 871 N GLU A 53 3.613 -16.227 6.701 1.00 0.00 N ATOM 872 CA GLU A 53 3.298 -15.700 8.024 1.00 0.00 C ATOM 873 C GLU A 53 3.512 -14.189 8.073 1.00 0.00 C ATOM 874 O GLU A 53 2.840 -13.479 8.822 1.00 0.00 O ATOM 875 CB GLU A 53 4.162 -16.382 9.087 1.00 0.00 C ATOM 876 CG GLU A 53 3.512 -17.611 9.702 1.00 0.00 C ATOM 877 CD GLU A 53 4.389 -18.274 10.747 1.00 0.00 C ATOM 878 OE1 GLU A 53 5.317 -17.607 11.250 1.00 0.00 O ATOM 879 OE2 GLU A 53 4.145 -19.456 11.062 1.00 0.00 O ATOM 0 H GLU A 53 4.306 -16.976 6.699 1.00 0.00 H new ATOM 0 HA GLU A 53 2.248 -15.908 8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.114 -16.670 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.385 -15.665 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.563 -17.326 10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.285 -18.330 8.915 1.00 0.00 H new ATOM 886 N LYS A 54 4.453 -13.705 7.269 1.00 0.00 N ATOM 887 CA LYS A 54 4.756 -12.280 7.218 1.00 0.00 C ATOM 888 C LYS A 54 3.661 -11.516 6.481 1.00 0.00 C ATOM 889 O LYS A 54 3.082 -10.569 7.015 1.00 0.00 O ATOM 890 CB LYS A 54 6.104 -12.048 6.532 1.00 0.00 C ATOM 891 CG LYS A 54 7.298 -12.399 7.404 1.00 0.00 C ATOM 892 CD LYS A 54 7.433 -11.441 8.575 1.00 0.00 C ATOM 893 CE LYS A 54 8.839 -11.464 9.156 1.00 0.00 C ATOM 894 NZ LYS A 54 8.955 -10.601 10.363 1.00 0.00 N ATOM 0 H LYS A 54 5.019 -14.279 6.644 1.00 0.00 H new ATOM 0 HA LYS A 54 4.807 -11.909 8.242 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.145 -12.642 5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.176 -11.002 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.191 -13.418 7.777 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.208 -12.373 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.190 -10.430 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.714 -11.708 9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.108 -12.488 9.415 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.550 -11.129 8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.928 -10.644 10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.723 -9.619 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.295 -10.936 11.094 1.00 0.00 H new ATOM 908 N ILE A 55 3.380 -11.935 5.251 1.00 0.00 N ATOM 909 CA ILE A 55 2.352 -11.291 4.442 1.00 0.00 C ATOM 910 C ILE A 55 1.007 -11.291 5.160 1.00 0.00 C ATOM 911 O ILE A 55 0.262 -10.313 5.104 1.00 0.00 O ATOM 912 CB ILE A 55 2.192 -11.987 3.077 1.00 0.00 C ATOM 913 CG1 ILE A 55 3.494 -11.892 2.277 1.00 0.00 C ATOM 914 CG2 ILE A 55 1.040 -11.369 2.300 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.641 -12.977 1.233 1.00 0.00 C ATOM 0 H ILE A 55 3.849 -12.717 4.794 1.00 0.00 H new ATOM 0 HA ILE A 55 2.675 -10.263 4.281 1.00 0.00 H new ATOM 0 HB ILE A 55 1.967 -13.040 3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.540 -10.919 1.788 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.338 -11.943 2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.939 -11.871 1.338 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.116 -11.483 2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.238 -10.309 2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.586 -12.848 0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.627 -13.953 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.817 -12.913 0.523 1.00 0.00 H new ATOM 927 N ILE A 56 0.703 -12.394 5.836 1.00 0.00 N ATOM 928 CA ILE A 56 -0.551 -12.520 6.568 1.00 0.00 C ATOM 929 C ILE A 56 -0.649 -11.474 7.673 1.00 0.00 C ATOM 930 O ILE A 56 -1.672 -10.805 7.819 1.00 0.00 O ATOM 931 CB ILE A 56 -0.702 -13.923 7.188 1.00 0.00 C ATOM 932 CG1 ILE A 56 -0.726 -14.989 6.092 1.00 0.00 C ATOM 933 CG2 ILE A 56 -1.965 -13.994 8.033 1.00 0.00 C ATOM 934 CD1 ILE A 56 -0.285 -16.355 6.568 1.00 0.00 C ATOM 0 H ILE A 56 1.308 -13.213 5.892 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.355 -12.361 5.849 1.00 0.00 H new ATOM 0 HB ILE A 56 0.155 -14.114 7.834 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.736 -15.062 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.079 -14.672 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.059 -14.991 8.464 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.909 -13.256 8.833 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.833 -13.786 7.408 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.327 -17.061 5.738 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.737 -16.297 6.944 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.946 -16.693 7.366 1.00 0.00 H new ATOM 946 N ARG A 57 0.421 -11.339 8.449 1.00 0.00 N ATOM 947 CA ARG A 57 0.456 -10.373 9.541 1.00 0.00 C ATOM 948 C ARG A 57 0.294 -8.950 9.014 1.00 0.00 C ATOM 949 O ARG A 57 -0.576 -8.207 9.466 1.00 0.00 O ATOM 950 CB ARG A 57 1.769 -10.494 10.316 1.00 0.00 C ATOM 951 CG ARG A 57 1.635 -11.253 11.627 1.00 0.00 C ATOM 952 CD ARG A 57 1.527 -12.752 11.395 1.00 0.00 C ATOM 953 NE ARG A 57 0.865 -13.431 12.504 1.00 0.00 N ATOM 954 CZ ARG A 57 0.625 -14.739 12.528 1.00 0.00 C ATOM 955 NH1 ARG A 57 0.992 -15.501 11.508 1.00 0.00 N ATOM 956 NH2 ARG A 57 0.017 -15.284 13.574 1.00 0.00 N ATOM 0 H ARG A 57 1.275 -11.886 8.342 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.375 -10.591 10.211 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.506 -10.996 9.689 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.153 -9.495 10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.497 -11.043 12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.753 -10.902 12.163 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.974 -12.937 10.474 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.524 -13.170 11.257 1.00 0.00 H new ATOM 0 HE ARG A 57 0.570 -12.872 13.305 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.459 -15.085 10.703 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.807 -16.504 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.267 -14.700 14.360 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -0.167 -16.287 13.592 1.00 0.00 H new ATOM 970 N GLU A 58 1.137 -8.579 8.057 1.00 0.00 N ATOM 971 CA GLU A 58 1.088 -7.245 7.470 1.00 0.00 C ATOM 972 C GLU A 58 -0.267 -6.988 6.816 1.00 0.00 C ATOM 973 O GLU A 58 -0.926 -5.988 7.101 1.00 0.00 O ATOM 974 CB GLU A 58 2.204 -7.076 6.437 1.00 0.00 C ATOM 975 CG GLU A 58 2.770 -5.667 6.377 1.00 0.00 C ATOM 976 CD GLU A 58 4.118 -5.607 5.686 1.00 0.00 C ATOM 977 OE1 GLU A 58 4.188 -5.972 4.494 1.00 0.00 O ATOM 978 OE2 GLU A 58 5.101 -5.197 6.337 1.00 0.00 O ATOM 0 H GLU A 58 1.863 -9.183 7.671 1.00 0.00 H new ATOM 0 HA GLU A 58 1.230 -6.519 8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.010 -7.773 6.668 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.821 -7.347 5.453 1.00 0.00 H new ATOM 0 HG2 GLU A 58 2.068 -5.020 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.868 -5.276 7.390 1.00 0.00 H new ATOM 985 N LEU A 59 -0.676 -7.898 5.939 1.00 0.00 N ATOM 986 CA LEU A 59 -1.953 -7.771 5.244 1.00 0.00 C ATOM 987 C LEU A 59 -3.108 -7.699 6.236 1.00 0.00 C ATOM 988 O LEU A 59 -4.075 -6.966 6.026 1.00 0.00 O ATOM 989 CB LEU A 59 -2.155 -8.950 4.291 1.00 0.00 C ATOM 990 CG LEU A 59 -3.463 -8.954 3.497 1.00 0.00 C ATOM 991 CD1 LEU A 59 -4.587 -9.561 4.322 1.00 0.00 C ATOM 992 CD2 LEU A 59 -3.824 -7.543 3.057 1.00 0.00 C ATOM 0 H LEU A 59 -0.143 -8.732 5.692 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.936 -6.845 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.325 -8.967 3.585 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.101 -9.872 4.869 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.323 -9.566 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.509 -9.555 3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.331 -10.587 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.728 -8.976 5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.757 -7.565 2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.945 -6.908 3.935 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.029 -7.144 2.427 1.00 0.00 H new ATOM 1004 N ASP A 60 -3.001 -8.463 7.318 1.00 0.00 N ATOM 1005 CA ASP A 60 -4.036 -8.483 8.345 1.00 0.00 C ATOM 1006 C ASP A 60 -4.201 -7.106 8.978 1.00 0.00 C ATOM 1007 O ASP A 60 -5.308 -6.573 9.051 1.00 0.00 O ATOM 1008 CB ASP A 60 -3.695 -9.516 9.421 1.00 0.00 C ATOM 1009 CG ASP A 60 -4.730 -9.560 10.528 1.00 0.00 C ATOM 1010 OD1 ASP A 60 -5.932 -9.401 10.225 1.00 0.00 O ATOM 1011 OD2 ASP A 60 -4.339 -9.756 11.698 1.00 0.00 O ATOM 0 H ASP A 60 -2.208 -9.076 7.506 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.978 -8.759 7.872 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.615 -10.502 8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.720 -9.283 9.848 1.00 0.00 H new ATOM 1016 N VAL A 61 -3.092 -6.533 9.435 1.00 0.00 N ATOM 1017 CA VAL A 61 -3.113 -5.217 10.062 1.00 0.00 C ATOM 1018 C VAL A 61 -3.679 -4.166 9.114 1.00 0.00 C ATOM 1019 O VAL A 61 -4.563 -3.391 9.483 1.00 0.00 O ATOM 1020 CB VAL A 61 -1.704 -4.784 10.508 1.00 0.00 C ATOM 1021 CG1 VAL A 61 -1.749 -3.415 11.168 1.00 0.00 C ATOM 1022 CG2 VAL A 61 -1.103 -5.818 11.449 1.00 0.00 C ATOM 0 H VAL A 61 -2.167 -6.960 9.383 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.755 -5.295 10.939 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.068 -4.714 9.625 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.744 -3.126 11.476 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.136 -2.682 10.460 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.399 -3.454 12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.107 -5.497 11.755 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.737 -5.921 12.329 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.033 -6.778 10.938 1.00 0.00 H new ATOM 1032 N VAL A 62 -3.165 -4.144 7.888 1.00 0.00 N ATOM 1033 CA VAL A 62 -3.619 -3.189 6.885 1.00 0.00 C ATOM 1034 C VAL A 62 -5.088 -3.411 6.540 1.00 0.00 C ATOM 1035 O VAL A 62 -5.913 -2.507 6.683 1.00 0.00 O ATOM 1036 CB VAL A 62 -2.781 -3.285 5.597 1.00 0.00 C ATOM 1037 CG1 VAL A 62 -3.295 -2.310 4.550 1.00 0.00 C ATOM 1038 CG2 VAL A 62 -1.311 -3.032 5.898 1.00 0.00 C ATOM 0 H VAL A 62 -2.433 -4.777 7.566 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.495 -2.196 7.316 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.878 -4.294 5.196 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.690 -2.393 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.333 -2.544 4.314 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.231 -1.293 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.733 -3.104 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.193 -2.035 6.324 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.952 -3.775 6.610 1.00 0.00 H new ATOM 1048 N CYS A 63 -5.407 -4.618 6.088 1.00 0.00 N ATOM 1049 CA CYS A 63 -6.777 -4.960 5.723 1.00 0.00 C ATOM 1050 C CYS A 63 -7.733 -4.686 6.880 1.00 0.00 C ATOM 1051 O CYS A 63 -8.915 -4.413 6.670 1.00 0.00 O ATOM 1052 CB CYS A 63 -6.866 -6.430 5.310 1.00 0.00 C ATOM 1053 SG CYS A 63 -8.551 -7.013 5.011 1.00 0.00 S ATOM 0 H CYS A 63 -4.736 -5.376 5.965 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.068 -4.335 4.879 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -6.276 -6.578 4.406 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.414 -7.043 6.090 1.00 0.00 H new ATOM 0 HG CYS A 63 -8.522 -8.266 4.666 1.00 0.00 H new ATOM 1059 N ALA A 64 -7.213 -4.763 8.101 1.00 0.00 N ATOM 1060 CA ALA A 64 -8.020 -4.524 9.291 1.00 0.00 C ATOM 1061 C ALA A 64 -8.360 -3.045 9.435 1.00 0.00 C ATOM 1062 O ALA A 64 -9.530 -2.668 9.477 1.00 0.00 O ATOM 1063 CB ALA A 64 -7.293 -5.025 10.531 1.00 0.00 C ATOM 0 H ALA A 64 -6.237 -4.989 8.292 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.954 -5.075 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.907 -4.840 11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -7.107 -6.095 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.344 -4.499 10.633 1.00 0.00 H new ATOM 1069 N MET A 65 -7.328 -2.210 9.511 1.00 0.00 N ATOM 1070 CA MET A 65 -7.519 -0.771 9.651 1.00 0.00 C ATOM 1071 C MET A 65 -8.236 -0.197 8.433 1.00 0.00 C ATOM 1072 O MET A 65 -9.019 0.745 8.550 1.00 0.00 O ATOM 1073 CB MET A 65 -6.170 -0.072 9.841 1.00 0.00 C ATOM 1074 CG MET A 65 -5.371 0.063 8.555 1.00 0.00 C ATOM 1075 SD MET A 65 -3.782 0.878 8.808 1.00 0.00 S ATOM 1076 CE MET A 65 -2.831 -0.454 9.536 1.00 0.00 C ATOM 0 H MET A 65 -6.352 -2.505 9.478 1.00 0.00 H new ATOM 0 HA MET A 65 -8.138 -0.595 10.531 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.339 0.920 10.260 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.580 -0.629 10.569 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.204 -0.927 8.130 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.953 0.628 7.827 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.180 -0.054 10.313 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.508 -1.188 9.973 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.226 -0.932 8.766 1.00 0.00 H new ATOM 1086 N ILE A 66 -7.960 -0.770 7.266 1.00 0.00 N ATOM 1087 CA ILE A 66 -8.580 -0.315 6.028 1.00 0.00 C ATOM 1088 C ILE A 66 -10.062 -0.672 5.991 1.00 0.00 C ATOM 1089 O ILE A 66 -10.906 0.171 5.690 1.00 0.00 O ATOM 1090 CB ILE A 66 -7.886 -0.923 4.794 1.00 0.00 C ATOM 1091 CG1 ILE A 66 -6.824 0.037 4.255 1.00 0.00 C ATOM 1092 CG2 ILE A 66 -8.910 -1.248 3.718 1.00 0.00 C ATOM 1093 CD1 ILE A 66 -5.794 0.440 5.287 1.00 0.00 C ATOM 0 H ILE A 66 -7.312 -1.549 7.152 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.469 0.769 6.000 1.00 0.00 H new ATOM 0 HB ILE A 66 -7.394 -1.849 5.091 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.317 -0.431 3.411 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -7.315 0.933 3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.405 -1.677 2.853 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.633 -1.965 4.108 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.428 -0.336 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.073 1.121 4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.290 0.937 6.121 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.276 -0.448 5.650 1.00 0.00 H new ATOM 1105 N GLU A 67 -10.371 -1.928 6.300 1.00 0.00 N ATOM 1106 CA GLU A 67 -11.751 -2.396 6.303 1.00 0.00 C ATOM 1107 C GLU A 67 -12.598 -1.585 7.280 1.00 0.00 C ATOM 1108 O GLU A 67 -13.668 -1.090 6.927 1.00 0.00 O ATOM 1109 CB GLU A 67 -11.810 -3.880 6.671 1.00 0.00 C ATOM 1110 CG GLU A 67 -11.567 -4.809 5.493 1.00 0.00 C ATOM 1111 CD GLU A 67 -11.666 -6.273 5.875 1.00 0.00 C ATOM 1112 OE1 GLU A 67 -11.198 -6.631 6.977 1.00 0.00 O ATOM 1113 OE2 GLU A 67 -12.208 -7.061 5.073 1.00 0.00 O ATOM 0 H GLU A 67 -9.684 -2.639 6.551 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.155 -2.262 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.068 -4.084 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.787 -4.100 7.101 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.292 -4.592 4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.579 -4.612 5.077 1.00 0.00 H new ATOM 1120 N GLY A 68 -12.112 -1.455 8.510 1.00 0.00 N ATOM 1121 CA GLY A 68 -12.836 -0.704 9.519 1.00 0.00 C ATOM 1122 C GLY A 68 -12.962 0.765 9.169 1.00 0.00 C ATOM 1123 O GLY A 68 -14.030 1.356 9.319 1.00 0.00 O ATOM 0 H GLY A 68 -11.229 -1.856 8.826 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -13.831 -1.132 9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -12.326 -0.804 10.477 1.00 0.00 H new ATOM 1127 N ALA A 69 -11.867 1.357 8.705 1.00 0.00 N ATOM 1128 CA ALA A 69 -11.859 2.766 8.333 1.00 0.00 C ATOM 1129 C ALA A 69 -12.819 3.035 7.179 1.00 0.00 C ATOM 1130 O ALA A 69 -13.696 3.893 7.277 1.00 0.00 O ATOM 1131 CB ALA A 69 -10.451 3.207 7.964 1.00 0.00 C ATOM 0 H ALA A 69 -10.973 0.882 8.578 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.195 3.345 9.193 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.461 4.262 7.688 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.789 3.061 8.817 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.093 2.615 7.122 1.00 0.00 H new ATOM 1137 N GLN A 70 -12.646 2.296 6.088 1.00 0.00 N ATOM 1138 CA GLN A 70 -13.498 2.457 4.916 1.00 0.00 C ATOM 1139 C GLN A 70 -14.969 2.293 5.283 1.00 0.00 C ATOM 1140 O GLN A 70 -15.802 3.130 4.938 1.00 0.00 O ATOM 1141 CB GLN A 70 -13.114 1.443 3.837 1.00 0.00 C ATOM 1142 CG GLN A 70 -13.236 1.983 2.422 1.00 0.00 C ATOM 1143 CD GLN A 70 -14.593 1.703 1.805 1.00 0.00 C ATOM 1144 OE1 GLN A 70 -15.254 2.607 1.294 1.00 0.00 O ATOM 1145 NE2 GLN A 70 -15.015 0.445 1.849 1.00 0.00 N ATOM 0 H GLN A 70 -11.925 1.581 5.991 1.00 0.00 H new ATOM 0 HA GLN A 70 -13.350 3.465 4.528 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -12.087 1.118 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.748 0.562 3.936 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.060 3.059 2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.459 1.539 1.799 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.434 -0.273 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.920 0.196 1.449 1.00 0.00 H new ATOM 1154 N GLY A 71 -15.281 1.208 5.987 1.00 0.00 N ATOM 1155 CA GLY A 71 -16.651 0.954 6.390 1.00 0.00 C ATOM 1156 C GLY A 71 -17.245 2.102 7.183 1.00 0.00 C ATOM 1157 O GLY A 71 -18.324 2.596 6.858 1.00 0.00 O ATOM 0 H GLY A 71 -14.609 0.501 6.285 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -17.260 0.775 5.504 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -16.687 0.045 6.990 1.00 0.00 H new ATOM 1161 N ALA A 72 -16.539 2.526 8.226 1.00 0.00 N ATOM 1162 CA ALA A 72 -17.002 3.622 9.067 1.00 0.00 C ATOM 1163 C ALA A 72 -17.121 4.915 8.268 1.00 0.00 C ATOM 1164 O ALA A 72 -18.179 5.546 8.242 1.00 0.00 O ATOM 1165 CB ALA A 72 -16.063 3.814 10.249 1.00 0.00 C ATOM 0 H ALA A 72 -15.644 2.127 8.509 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.993 3.365 9.442 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.421 4.636 10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.032 2.900 10.842 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.062 4.044 9.885 1.00 0.00 H new ATOM 1171 N LEU A 73 -16.032 5.304 7.616 1.00 0.00 N ATOM 1172 CA LEU A 73 -16.014 6.524 6.815 1.00 0.00 C ATOM 1173 C LEU A 73 -17.181 6.548 5.833 1.00 0.00 C ATOM 1174 O LEU A 73 -17.896 7.543 5.729 1.00 0.00 O ATOM 1175 CB LEU A 73 -14.691 6.639 6.056 1.00 0.00 C ATOM 1176 CG LEU A 73 -14.149 8.057 5.864 1.00 0.00 C ATOM 1177 CD1 LEU A 73 -12.638 8.079 6.035 1.00 0.00 C ATOM 1178 CD2 LEU A 73 -14.541 8.596 4.496 1.00 0.00 C ATOM 0 H LEU A 73 -15.149 4.793 7.626 1.00 0.00 H new ATOM 0 HA LEU A 73 -16.114 7.374 7.490 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.940 6.053 6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.818 6.184 5.074 1.00 0.00 H new ATOM 0 HG LEU A 73 -14.589 8.700 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -12.271 9.096 5.895 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -12.380 7.735 7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -12.179 7.422 5.296 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.147 9.605 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -14.129 7.951 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -15.627 8.618 4.411 1.00 0.00 H new ATOM 1190 N GLU A 74 -17.367 5.443 5.116 1.00 0.00 N ATOM 1191 CA GLU A 74 -18.448 5.338 4.143 1.00 0.00 C ATOM 1192 C GLU A 74 -19.802 5.559 4.809 1.00 0.00 C ATOM 1193 O GLU A 74 -20.620 6.346 4.332 1.00 0.00 O ATOM 1194 CB GLU A 74 -18.419 3.967 3.463 1.00 0.00 C ATOM 1195 CG GLU A 74 -17.668 3.959 2.142 1.00 0.00 C ATOM 1196 CD GLU A 74 -18.369 4.766 1.067 1.00 0.00 C ATOM 1197 OE1 GLU A 74 -19.550 4.478 0.784 1.00 0.00 O ATOM 1198 OE2 GLU A 74 -17.735 5.687 0.509 1.00 0.00 O ATOM 0 H GLU A 74 -16.784 4.610 5.191 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.302 6.113 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.958 3.246 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.443 3.634 3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.666 4.359 2.296 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.552 2.930 1.801 1.00 0.00 H new ATOM 1205 N ARG A 75 -20.033 4.858 5.914 1.00 0.00 N ATOM 1206 CA ARG A 75 -21.289 4.976 6.647 1.00 0.00 C ATOM 1207 C ARG A 75 -21.495 6.403 7.147 1.00 0.00 C ATOM 1208 O ARG A 75 -22.627 6.858 7.304 1.00 0.00 O ATOM 1209 CB ARG A 75 -21.310 4.002 7.825 1.00 0.00 C ATOM 1210 CG ARG A 75 -21.457 2.548 7.411 1.00 0.00 C ATOM 1211 CD ARG A 75 -21.525 1.628 8.620 1.00 0.00 C ATOM 1212 NE ARG A 75 -20.464 1.911 9.583 1.00 0.00 N ATOM 1213 CZ ARG A 75 -20.459 1.446 10.828 1.00 0.00 C ATOM 1214 NH1 ARG A 75 -21.451 0.679 11.258 1.00 0.00 N ATOM 1215 NH2 ARG A 75 -19.457 1.748 11.645 1.00 0.00 N ATOM 0 H ARG A 75 -19.367 4.202 6.322 1.00 0.00 H new ATOM 0 HA ARG A 75 -22.103 4.728 5.966 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -20.389 4.117 8.397 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.133 4.267 8.489 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -22.359 2.429 6.811 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -20.615 2.261 6.781 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -22.494 1.739 9.106 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -21.450 0.591 8.292 1.00 0.00 H new ATOM 0 HE ARG A 75 -19.685 2.497 9.284 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -22.222 0.444 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -21.444 0.324 12.214 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -18.691 2.337 11.317 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -19.453 1.391 12.601 1.00 0.00 H new ATOM 1229 N GLU A 76 -20.391 7.102 7.396 1.00 0.00 N ATOM 1230 CA GLU A 76 -20.451 8.476 7.881 1.00 0.00 C ATOM 1231 C GLU A 76 -20.772 9.441 6.742 1.00 0.00 C ATOM 1232 O GLU A 76 -21.723 10.219 6.822 1.00 0.00 O ATOM 1233 CB GLU A 76 -19.126 8.868 8.538 1.00 0.00 C ATOM 1234 CG GLU A 76 -19.203 10.152 9.345 1.00 0.00 C ATOM 1235 CD GLU A 76 -20.320 10.131 10.370 1.00 0.00 C ATOM 1236 OE1 GLU A 76 -20.478 9.098 11.055 1.00 0.00 O ATOM 1237 OE2 GLU A 76 -21.036 11.147 10.489 1.00 0.00 O ATOM 0 H GLU A 76 -19.446 6.740 7.270 1.00 0.00 H new ATOM 0 HA GLU A 76 -21.247 8.538 8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -18.800 8.058 9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -18.366 8.980 7.765 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.252 10.315 9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -19.352 10.994 8.668 1.00 0.00 H new ATOM 1244 N LEU A 77 -19.972 9.383 5.683 1.00 0.00 N ATOM 1245 CA LEU A 77 -20.169 10.251 4.528 1.00 0.00 C ATOM 1246 C LEU A 77 -21.495 9.948 3.838 1.00 0.00 C ATOM 1247 O LEU A 77 -22.086 10.815 3.194 1.00 0.00 O ATOM 1248 CB LEU A 77 -19.016 10.084 3.536 1.00 0.00 C ATOM 1249 CG LEU A 77 -18.749 8.659 3.052 1.00 0.00 C ATOM 1250 CD1 LEU A 77 -19.534 8.372 1.780 1.00 0.00 C ATOM 1251 CD2 LEU A 77 -17.260 8.443 2.821 1.00 0.00 C ATOM 0 H LEU A 77 -19.181 8.744 5.601 1.00 0.00 H new ATOM 0 HA LEU A 77 -20.191 11.282 4.880 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -19.217 10.710 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -18.106 10.465 3.999 1.00 0.00 H new ATOM 0 HG LEU A 77 -19.081 7.966 3.825 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -19.332 7.353 1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -20.600 8.485 1.977 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -19.233 9.072 1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -17.089 7.423 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -16.903 9.145 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -16.720 8.606 3.753 1.00 0.00 H new ATOM 1263 N LYS A 78 -21.959 8.710 3.978 1.00 0.00 N ATOM 1264 CA LYS A 78 -23.217 8.291 3.372 1.00 0.00 C ATOM 1265 C LYS A 78 -24.384 9.102 3.925 1.00 0.00 C ATOM 1266 O LYS A 78 -25.461 9.144 3.329 1.00 0.00 O ATOM 1267 CB LYS A 78 -23.455 6.800 3.621 1.00 0.00 C ATOM 1268 CG LYS A 78 -22.899 5.905 2.528 1.00 0.00 C ATOM 1269 CD LYS A 78 -23.773 5.934 1.284 1.00 0.00 C ATOM 1270 CE LYS A 78 -23.057 5.329 0.086 1.00 0.00 C ATOM 1271 NZ LYS A 78 -24.016 4.837 -0.942 1.00 0.00 N ATOM 0 H LYS A 78 -21.482 7.979 4.506 1.00 0.00 H new ATOM 0 HA LYS A 78 -23.151 8.468 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -23.001 6.522 4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -24.526 6.622 3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -21.889 6.226 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -22.824 4.882 2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -24.696 5.385 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -24.055 6.963 1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -22.399 6.075 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -22.426 4.505 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -23.490 4.432 -1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -24.628 4.107 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -24.601 5.628 -1.278 1.00 0.00 H new ATOM 1285 N ARG A 79 -24.163 9.746 5.066 1.00 0.00 N ATOM 1286 CA ARG A 79 -25.197 10.556 5.699 1.00 0.00 C ATOM 1287 C ARG A 79 -25.790 11.552 4.708 1.00 0.00 C ATOM 1288 O ARG A 79 -26.971 11.894 4.784 1.00 0.00 O ATOM 1289 CB ARG A 79 -24.624 11.301 6.907 1.00 0.00 C ATOM 1290 CG ARG A 79 -24.467 10.429 8.142 1.00 0.00 C ATOM 1291 CD ARG A 79 -25.725 10.444 8.996 1.00 0.00 C ATOM 1292 NE ARG A 79 -26.605 9.317 8.696 1.00 0.00 N ATOM 1293 CZ ARG A 79 -27.749 9.088 9.330 1.00 0.00 C ATOM 1294 NH1 ARG A 79 -28.151 9.904 10.294 1.00 0.00 N ATOM 1295 NH2 ARG A 79 -28.494 8.041 8.998 1.00 0.00 N ATOM 0 H ARG A 79 -23.277 9.723 5.571 1.00 0.00 H new ATOM 0 HA ARG A 79 -25.990 9.889 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -23.652 11.716 6.640 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -25.275 12.142 7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -24.242 9.406 7.841 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -23.621 10.781 8.732 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -25.448 10.417 10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -26.263 11.378 8.832 1.00 0.00 H new ATOM 0 HE ARG A 79 -26.325 8.670 7.959 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -27.581 10.710 10.550 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -29.030 9.726 10.779 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -28.188 7.412 8.256 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -29.373 7.865 9.485 1.00 0.00 H new ATOM 1309 N THR A 80 -24.962 12.017 3.778 1.00 0.00 N ATOM 1310 CA THR A 80 -25.403 12.976 2.772 1.00 0.00 C ATOM 1311 C THR A 80 -24.464 12.984 1.571 1.00 0.00 C ATOM 1312 O THR A 80 -23.267 12.728 1.706 1.00 0.00 O ATOM 1313 CB THR A 80 -25.488 14.401 3.352 1.00 0.00 C ATOM 1314 OG1 THR A 80 -24.493 14.577 4.366 1.00 0.00 O ATOM 1315 CG2 THR A 80 -26.868 14.664 3.938 1.00 0.00 C ATOM 0 H THR A 80 -23.982 11.745 3.700 1.00 0.00 H new ATOM 0 HA THR A 80 -26.397 12.663 2.451 1.00 0.00 H new ATOM 0 HB THR A 80 -25.312 15.110 2.543 1.00 0.00 H new ATOM 0 HG1 THR A 80 -24.552 15.486 4.728 1.00 0.00 H new ATOM 0 HG21 THR A 80 -26.905 15.676 4.342 1.00 0.00 H new ATOM 0 HG22 THR A 80 -27.621 14.557 3.157 1.00 0.00 H new ATOM 0 HG23 THR A 80 -27.067 13.948 4.735 1.00 0.00 H new ATOM 1323 N ASP A 81 -25.012 13.281 0.398 1.00 0.00 N ATOM 1324 CA ASP A 81 -24.223 13.325 -0.826 1.00 0.00 C ATOM 1325 C ASP A 81 -25.064 13.822 -1.998 1.00 0.00 C ATOM 1326 O ASP A 81 -25.088 13.205 -3.065 1.00 0.00 O ATOM 1327 CB ASP A 81 -23.654 11.941 -1.141 1.00 0.00 C ATOM 1328 CG ASP A 81 -22.697 11.963 -2.317 1.00 0.00 C ATOM 1329 OD1 ASP A 81 -22.152 13.045 -2.620 1.00 0.00 O ATOM 1330 OD2 ASP A 81 -22.491 10.897 -2.934 1.00 0.00 O ATOM 0 H ASP A 81 -26.001 13.495 0.270 1.00 0.00 H new ATOM 0 HA ASP A 81 -23.399 14.022 -0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -23.137 11.555 -0.262 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -24.473 11.255 -1.356 1.00 0.00 H new ATOM 1335 N LEU A 82 -25.753 14.939 -1.793 1.00 0.00 N ATOM 1336 CA LEU A 82 -26.598 15.518 -2.832 1.00 0.00 C ATOM 1337 C LEU A 82 -25.854 16.611 -3.592 1.00 0.00 C ATOM 1338 O LEU A 82 -25.938 17.788 -3.245 1.00 0.00 O ATOM 1339 CB LEU A 82 -27.878 16.088 -2.218 1.00 0.00 C ATOM 1340 CG LEU A 82 -29.120 16.061 -3.109 1.00 0.00 C ATOM 1341 CD1 LEU A 82 -28.893 16.887 -4.366 1.00 0.00 C ATOM 1342 CD2 LEU A 82 -29.487 14.629 -3.469 1.00 0.00 C ATOM 0 H LEU A 82 -25.743 15.462 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 82 -26.861 14.727 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -28.098 15.533 -1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -27.688 17.121 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 82 -29.950 16.500 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -29.788 16.856 -4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -28.679 17.919 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -28.050 16.478 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -30.373 14.629 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -28.658 14.164 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -29.693 14.066 -2.558 1.00 0.00 H new ATOM 1354 N ASN A 83 -25.128 16.214 -4.631 1.00 0.00 N ATOM 1355 CA ASN A 83 -24.369 17.160 -5.441 1.00 0.00 C ATOM 1356 C ASN A 83 -23.633 16.443 -6.569 1.00 0.00 C ATOM 1357 O ASN A 83 -23.286 15.268 -6.448 1.00 0.00 O ATOM 1358 CB ASN A 83 -23.371 17.925 -4.569 1.00 0.00 C ATOM 1359 CG ASN A 83 -23.679 19.408 -4.504 1.00 0.00 C ATOM 1360 OD1 ASN A 83 -23.873 19.966 -3.425 1.00 0.00 O ATOM 1361 ND2 ASN A 83 -23.724 20.054 -5.663 1.00 0.00 N ATOM 0 H ASN A 83 -25.049 15.243 -4.933 1.00 0.00 H new ATOM 0 HA ASN A 83 -25.071 17.867 -5.882 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -23.381 17.510 -3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -22.365 17.783 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -23.926 21.054 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -23.557 19.551 -6.534 1.00 0.00 H new ATOM 1368 N ILE A 84 -23.396 17.160 -7.662 1.00 0.00 N ATOM 1369 CA ILE A 84 -22.699 16.592 -8.810 1.00 0.00 C ATOM 1370 C ILE A 84 -21.272 16.198 -8.447 1.00 0.00 C ATOM 1371 O ILE A 84 -20.874 15.044 -8.609 1.00 0.00 O ATOM 1372 CB ILE A 84 -22.662 17.581 -9.991 1.00 0.00 C ATOM 1373 CG1 ILE A 84 -24.080 18.010 -10.369 1.00 0.00 C ATOM 1374 CG2 ILE A 84 -21.956 16.954 -11.185 1.00 0.00 C ATOM 1375 CD1 ILE A 84 -24.122 19.180 -11.327 1.00 0.00 C ATOM 0 H ILE A 84 -23.676 18.134 -7.777 1.00 0.00 H new ATOM 0 HA ILE A 84 -23.254 15.702 -9.108 1.00 0.00 H new ATOM 0 HB ILE A 84 -22.104 18.466 -9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -24.599 17.164 -10.819 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -24.625 18.273 -9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -21.938 17.665 -12.011 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -20.935 16.693 -10.908 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -22.489 16.054 -11.492 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -25.159 19.430 -11.551 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -23.632 20.041 -10.872 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -23.605 18.914 -12.249 1.00 0.00 H new ATOM 1387 N LEU A 85 -20.505 17.164 -7.953 1.00 0.00 N ATOM 1388 CA LEU A 85 -19.121 16.918 -7.563 1.00 0.00 C ATOM 1389 C LEU A 85 -19.045 15.876 -6.452 1.00 0.00 C ATOM 1390 O LEU A 85 -18.272 14.923 -6.534 1.00 0.00 O ATOM 1391 CB LEU A 85 -18.460 18.219 -7.104 1.00 0.00 C ATOM 1392 CG LEU A 85 -16.963 18.347 -7.385 1.00 0.00 C ATOM 1393 CD1 LEU A 85 -16.198 17.205 -6.735 1.00 0.00 C ATOM 1394 CD2 LEU A 85 -16.702 18.381 -8.885 1.00 0.00 C ATOM 0 H LEU A 85 -20.818 18.125 -7.813 1.00 0.00 H new ATOM 0 HA LEU A 85 -18.588 16.534 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -18.972 19.052 -7.585 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -18.618 18.324 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 85 -16.611 19.284 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.134 17.313 -6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -16.358 17.227 -5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -16.553 16.255 -7.135 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.631 18.472 -9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -17.070 17.461 -9.339 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -17.218 19.234 -9.325 1.00 0.00 H new ATOM 1406 N GLU A 86 -19.854 16.065 -5.414 1.00 0.00 N ATOM 1407 CA GLU A 86 -19.878 15.141 -4.286 1.00 0.00 C ATOM 1408 C GLU A 86 -20.194 13.723 -4.753 1.00 0.00 C ATOM 1409 O GLU A 86 -19.608 12.754 -4.268 1.00 0.00 O ATOM 1410 CB GLU A 86 -20.912 15.591 -3.252 1.00 0.00 C ATOM 1411 CG GLU A 86 -20.707 17.017 -2.767 1.00 0.00 C ATOM 1412 CD GLU A 86 -19.541 17.144 -1.806 1.00 0.00 C ATOM 1413 OE1 GLU A 86 -19.565 16.476 -0.752 1.00 0.00 O ATOM 1414 OE2 GLU A 86 -18.604 17.914 -2.110 1.00 0.00 O ATOM 0 H GLU A 86 -20.501 16.849 -5.331 1.00 0.00 H new ATOM 0 HA GLU A 86 -18.890 15.143 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -21.908 15.503 -3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -20.875 14.916 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -20.539 17.668 -3.625 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -21.616 17.364 -2.277 1.00 0.00 H new ATOM 1421 N ARG A 87 -21.123 13.609 -5.696 1.00 0.00 N ATOM 1422 CA ARG A 87 -21.518 12.310 -6.227 1.00 0.00 C ATOM 1423 C ARG A 87 -20.362 11.655 -6.978 1.00 0.00 C ATOM 1424 O ARG A 87 -20.086 10.469 -6.802 1.00 0.00 O ATOM 1425 CB ARG A 87 -22.725 12.461 -7.156 1.00 0.00 C ATOM 1426 CG ARG A 87 -23.212 11.144 -7.738 1.00 0.00 C ATOM 1427 CD ARG A 87 -24.054 10.370 -6.735 1.00 0.00 C ATOM 1428 NE ARG A 87 -24.801 9.287 -7.368 1.00 0.00 N ATOM 1429 CZ ARG A 87 -25.488 8.374 -6.691 1.00 0.00 C ATOM 1430 NH1 ARG A 87 -25.524 8.414 -5.367 1.00 0.00 N ATOM 1431 NH2 ARG A 87 -26.143 7.419 -7.340 1.00 0.00 N ATOM 0 H ARG A 87 -21.616 14.401 -6.108 1.00 0.00 H new ATOM 0 HA ARG A 87 -21.792 11.670 -5.388 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -23.541 12.929 -6.605 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -22.463 13.135 -7.972 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -23.799 11.337 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -22.357 10.540 -8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -23.408 9.959 -5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -24.749 11.051 -6.243 1.00 0.00 H new ATOM 0 HE ARG A 87 -24.795 9.228 -8.386 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -25.023 9.147 -4.865 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -26.052 7.711 -4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -26.119 7.386 -8.359 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -26.670 6.718 -6.819 1.00 0.00 H new ATOM 1445 N PHE A 88 -19.690 12.437 -7.818 1.00 0.00 N ATOM 1446 CA PHE A 88 -18.565 11.934 -8.597 1.00 0.00 C ATOM 1447 C PHE A 88 -17.469 11.395 -7.683 1.00 0.00 C ATOM 1448 O PHE A 88 -17.057 10.242 -7.803 1.00 0.00 O ATOM 1449 CB PHE A 88 -18.003 13.039 -9.492 1.00 0.00 C ATOM 1450 CG PHE A 88 -16.725 12.658 -10.185 1.00 0.00 C ATOM 1451 CD1 PHE A 88 -16.659 11.514 -10.964 1.00 0.00 C ATOM 1452 CD2 PHE A 88 -15.591 13.442 -10.055 1.00 0.00 C ATOM 1453 CE1 PHE A 88 -15.486 11.161 -11.602 1.00 0.00 C ATOM 1454 CE2 PHE A 88 -14.415 13.094 -10.691 1.00 0.00 C ATOM 1455 CZ PHE A 88 -14.361 11.952 -11.465 1.00 0.00 C ATOM 0 H PHE A 88 -19.906 13.421 -7.976 1.00 0.00 H new ATOM 0 HA PHE A 88 -18.924 11.118 -9.223 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.749 13.303 -10.242 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -17.828 13.930 -8.889 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -17.535 10.891 -11.074 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -15.626 14.336 -9.450 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.448 10.268 -12.207 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.538 13.715 -10.583 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.442 11.678 -11.962 1.00 0.00 H new ATOM 1465 N ASN A 89 -16.999 12.240 -6.771 1.00 0.00 N ATOM 1466 CA ASN A 89 -15.949 11.850 -5.837 1.00 0.00 C ATOM 1467 C ASN A 89 -16.370 10.630 -5.024 1.00 0.00 C ATOM 1468 O ASN A 89 -15.588 9.697 -4.836 1.00 0.00 O ATOM 1469 CB ASN A 89 -15.615 13.012 -4.899 1.00 0.00 C ATOM 1470 CG ASN A 89 -15.127 14.238 -5.646 1.00 0.00 C ATOM 1471 OD1 ASN A 89 -15.134 14.271 -6.878 1.00 0.00 O ATOM 1472 ND2 ASN A 89 -14.702 15.254 -4.904 1.00 0.00 N ATOM 0 H ASN A 89 -17.329 13.199 -6.659 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.061 11.591 -6.414 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -16.500 13.272 -4.319 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -14.851 12.694 -4.190 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -14.363 16.106 -5.352 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -14.714 15.183 -3.887 1.00 0.00 H new ATOM 1479 N TYR A 90 -17.608 10.644 -4.543 1.00 0.00 N ATOM 1480 CA TYR A 90 -18.132 9.539 -3.749 1.00 0.00 C ATOM 1481 C TYR A 90 -18.163 8.249 -4.563 1.00 0.00 C ATOM 1482 O TYR A 90 -17.735 7.196 -4.091 1.00 0.00 O ATOM 1483 CB TYR A 90 -19.537 9.870 -3.242 1.00 0.00 C ATOM 1484 CG TYR A 90 -19.546 10.633 -1.937 1.00 0.00 C ATOM 1485 CD1 TYR A 90 -18.643 11.663 -1.706 1.00 0.00 C ATOM 1486 CD2 TYR A 90 -20.458 10.325 -0.936 1.00 0.00 C ATOM 1487 CE1 TYR A 90 -18.648 12.363 -0.515 1.00 0.00 C ATOM 1488 CE2 TYR A 90 -20.471 11.020 0.257 1.00 0.00 C ATOM 1489 CZ TYR A 90 -19.564 12.038 0.464 1.00 0.00 C ATOM 1490 OH TYR A 90 -19.573 12.734 1.651 1.00 0.00 O ATOM 0 H TYR A 90 -18.267 11.408 -4.689 1.00 0.00 H new ATOM 0 HA TYR A 90 -17.470 9.392 -2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -20.059 10.456 -3.999 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -20.096 8.943 -3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -17.925 11.921 -2.470 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -21.170 9.528 -1.093 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -17.938 13.161 -0.351 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -21.188 10.768 1.024 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.356 12.471 2.179 1.00 0.00 H new ATOM 1500 N GLU A 91 -18.671 8.341 -5.788 1.00 0.00 N ATOM 1501 CA GLU A 91 -18.759 7.182 -6.667 1.00 0.00 C ATOM 1502 C GLU A 91 -17.387 6.538 -6.855 1.00 0.00 C ATOM 1503 O GLU A 91 -17.216 5.343 -6.618 1.00 0.00 O ATOM 1504 CB GLU A 91 -19.334 7.587 -8.026 1.00 0.00 C ATOM 1505 CG GLU A 91 -19.926 6.425 -8.806 1.00 0.00 C ATOM 1506 CD GLU A 91 -20.979 6.869 -9.803 1.00 0.00 C ATOM 1507 OE1 GLU A 91 -21.318 8.071 -9.815 1.00 0.00 O ATOM 1508 OE2 GLU A 91 -21.464 6.013 -10.573 1.00 0.00 O ATOM 0 H GLU A 91 -19.028 9.206 -6.194 1.00 0.00 H new ATOM 0 HA GLU A 91 -19.424 6.454 -6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -20.105 8.343 -7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -18.547 8.050 -8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -19.128 5.903 -9.334 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.368 5.712 -8.110 1.00 0.00 H new ATOM 1515 N GLU A 92 -16.418 7.339 -7.284 1.00 0.00 N ATOM 1516 CA GLU A 92 -15.062 6.847 -7.504 1.00 0.00 C ATOM 1517 C GLU A 92 -14.466 6.295 -6.213 1.00 0.00 C ATOM 1518 O GLU A 92 -13.874 5.217 -6.202 1.00 0.00 O ATOM 1519 CB GLU A 92 -14.173 7.964 -8.053 1.00 0.00 C ATOM 1520 CG GLU A 92 -13.021 7.461 -8.906 1.00 0.00 C ATOM 1521 CD GLU A 92 -13.409 7.272 -10.359 1.00 0.00 C ATOM 1522 OE1 GLU A 92 -14.203 8.089 -10.873 1.00 0.00 O ATOM 1523 OE2 GLU A 92 -12.920 6.307 -10.982 1.00 0.00 O ATOM 0 H GLU A 92 -16.545 8.331 -7.486 1.00 0.00 H new ATOM 0 HA GLU A 92 -15.111 6.039 -8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.784 8.644 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.772 8.541 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -12.193 8.167 -8.844 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.663 6.514 -8.504 1.00 0.00 H new ATOM 1530 N ALA A 93 -14.630 7.042 -5.126 1.00 0.00 N ATOM 1531 CA ALA A 93 -14.109 6.628 -3.829 1.00 0.00 C ATOM 1532 C ALA A 93 -14.548 5.208 -3.490 1.00 0.00 C ATOM 1533 O ALA A 93 -13.730 4.371 -3.107 1.00 0.00 O ATOM 1534 CB ALA A 93 -14.563 7.596 -2.746 1.00 0.00 C ATOM 0 H ALA A 93 -15.119 7.937 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.020 6.641 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.167 7.275 -1.782 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.195 8.596 -2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.652 7.610 -2.704 1.00 0.00 H new ATOM 1540 N GLN A 94 -15.842 4.944 -3.631 1.00 0.00 N ATOM 1541 CA GLN A 94 -16.388 3.624 -3.338 1.00 0.00 C ATOM 1542 C GLN A 94 -15.871 2.588 -4.330 1.00 0.00 C ATOM 1543 O GLN A 94 -15.609 1.440 -3.967 1.00 0.00 O ATOM 1544 CB GLN A 94 -17.918 3.662 -3.373 1.00 0.00 C ATOM 1545 CG GLN A 94 -18.571 2.415 -2.800 1.00 0.00 C ATOM 1546 CD GLN A 94 -19.997 2.229 -3.281 1.00 0.00 C ATOM 1547 OE1 GLN A 94 -20.270 2.274 -4.481 1.00 0.00 O ATOM 1548 NE2 GLN A 94 -20.915 2.018 -2.346 1.00 0.00 N ATOM 0 H GLN A 94 -16.532 5.626 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 94 -16.061 3.338 -2.338 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -18.264 4.532 -2.815 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -18.246 3.793 -4.404 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -17.981 1.541 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -18.563 2.473 -1.712 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -20.644 1.988 -1.363 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -21.891 1.885 -2.610 1.00 0.00 H new ATOM 1557 N THR A 95 -15.727 2.998 -5.586 1.00 0.00 N ATOM 1558 CA THR A 95 -15.242 2.105 -6.632 1.00 0.00 C ATOM 1559 C THR A 95 -13.847 1.584 -6.306 1.00 0.00 C ATOM 1560 O THR A 95 -13.604 0.376 -6.325 1.00 0.00 O ATOM 1561 CB THR A 95 -15.208 2.811 -8.000 1.00 0.00 C ATOM 1562 OG1 THR A 95 -16.525 3.243 -8.362 1.00 0.00 O ATOM 1563 CG2 THR A 95 -14.662 1.881 -9.074 1.00 0.00 C ATOM 0 H THR A 95 -15.939 3.944 -5.904 1.00 0.00 H new ATOM 0 HA THR A 95 -15.937 1.267 -6.681 1.00 0.00 H new ATOM 0 HB THR A 95 -14.551 3.677 -7.921 1.00 0.00 H new ATOM 0 HG1 THR A 95 -16.802 3.976 -7.773 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.647 2.401 -10.032 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.649 1.576 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.298 0.999 -9.149 1.00 0.00 H new ATOM 1571 N LEU A 96 -12.933 2.501 -6.007 1.00 0.00 N ATOM 1572 CA LEU A 96 -11.561 2.133 -5.676 1.00 0.00 C ATOM 1573 C LEU A 96 -11.510 1.317 -4.389 1.00 0.00 C ATOM 1574 O LEU A 96 -10.855 0.276 -4.326 1.00 0.00 O ATOM 1575 CB LEU A 96 -10.696 3.387 -5.533 1.00 0.00 C ATOM 1576 CG LEU A 96 -10.387 4.140 -6.827 1.00 0.00 C ATOM 1577 CD1 LEU A 96 -9.556 5.381 -6.537 1.00 0.00 C ATOM 1578 CD2 LEU A 96 -9.667 3.233 -7.814 1.00 0.00 C ATOM 0 H LEU A 96 -13.117 3.504 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.170 1.520 -6.488 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -11.195 4.072 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -9.752 3.102 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 96 -11.330 4.455 -7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.346 5.904 -7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.108 6.040 -5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -8.618 5.089 -6.066 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.455 3.786 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.731 2.887 -7.375 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -10.298 2.375 -8.047 1.00 0.00 H new ATOM 1590 N SER A 97 -12.209 1.796 -3.364 1.00 0.00 N ATOM 1591 CA SER A 97 -12.242 1.111 -2.076 1.00 0.00 C ATOM 1592 C SER A 97 -12.717 -0.330 -2.239 1.00 0.00 C ATOM 1593 O SER A 97 -12.146 -1.253 -1.659 1.00 0.00 O ATOM 1594 CB SER A 97 -13.160 1.855 -1.104 1.00 0.00 C ATOM 1595 OG SER A 97 -14.522 1.691 -1.461 1.00 0.00 O ATOM 0 H SER A 97 -12.759 2.654 -3.400 1.00 0.00 H new ATOM 0 HA SER A 97 -11.230 1.098 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.999 1.485 -0.092 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.907 2.915 -1.100 1.00 0.00 H new ATOM 0 HG SER A 97 -14.609 1.711 -2.437 1.00 0.00 H new ATOM 1601 N LYS A 98 -13.765 -0.514 -3.035 1.00 0.00 N ATOM 1602 CA LYS A 98 -14.317 -1.842 -3.278 1.00 0.00 C ATOM 1603 C LYS A 98 -13.294 -2.740 -3.967 1.00 0.00 C ATOM 1604 O LYS A 98 -13.046 -3.864 -3.530 1.00 0.00 O ATOM 1605 CB LYS A 98 -15.582 -1.743 -4.134 1.00 0.00 C ATOM 1606 CG LYS A 98 -16.867 -1.929 -3.345 1.00 0.00 C ATOM 1607 CD LYS A 98 -17.039 -0.845 -2.295 1.00 0.00 C ATOM 1608 CE LYS A 98 -17.014 -1.422 -0.888 1.00 0.00 C ATOM 1609 NZ LYS A 98 -18.379 -1.770 -0.407 1.00 0.00 N ATOM 0 H LYS A 98 -14.249 0.240 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 98 -14.571 -2.283 -2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.604 -0.769 -4.624 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.537 -2.495 -4.922 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.718 -1.915 -4.026 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.860 -2.906 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.245 -0.106 -2.400 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -17.983 -0.325 -2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.385 -2.312 -0.872 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.562 -0.700 -0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.319 -2.160 0.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.972 -0.916 -0.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.801 -2.478 -1.042 1.00 0.00 H new ATOM 1623 N ILE A 99 -12.703 -2.235 -5.045 1.00 0.00 N ATOM 1624 CA ILE A 99 -11.704 -2.991 -5.792 1.00 0.00 C ATOM 1625 C ILE A 99 -10.553 -3.421 -4.889 1.00 0.00 C ATOM 1626 O ILE A 99 -10.157 -4.589 -4.883 1.00 0.00 O ATOM 1627 CB ILE A 99 -11.142 -2.172 -6.968 1.00 0.00 C ATOM 1628 CG1 ILE A 99 -12.266 -1.782 -7.930 1.00 0.00 C ATOM 1629 CG2 ILE A 99 -10.064 -2.961 -7.695 1.00 0.00 C ATOM 1630 CD1 ILE A 99 -11.982 -0.517 -8.710 1.00 0.00 C ATOM 0 H ILE A 99 -12.898 -1.307 -5.420 1.00 0.00 H new ATOM 0 HA ILE A 99 -12.205 -3.876 -6.184 1.00 0.00 H new ATOM 0 HB ILE A 99 -10.694 -1.259 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -12.435 -2.601 -8.630 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -13.188 -1.651 -7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.676 -2.369 -8.524 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -9.254 -3.192 -7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.489 -3.889 -8.079 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.821 -0.301 -9.372 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.843 0.314 -8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.077 -0.651 -9.303 1.00 0.00 H new ATOM 1642 N LEU A 100 -10.018 -2.473 -4.128 1.00 0.00 N ATOM 1643 CA LEU A 100 -8.912 -2.754 -3.220 1.00 0.00 C ATOM 1644 C LEU A 100 -9.288 -3.846 -2.224 1.00 0.00 C ATOM 1645 O LEU A 100 -8.535 -4.799 -2.017 1.00 0.00 O ATOM 1646 CB LEU A 100 -8.506 -1.483 -2.471 1.00 0.00 C ATOM 1647 CG LEU A 100 -8.102 -0.292 -3.340 1.00 0.00 C ATOM 1648 CD1 LEU A 100 -8.455 1.017 -2.650 1.00 0.00 C ATOM 1649 CD2 LEU A 100 -6.615 -0.345 -3.659 1.00 0.00 C ATOM 0 H LEU A 100 -10.332 -1.503 -4.122 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.068 -3.105 -3.814 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.338 -1.178 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.673 -1.725 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.657 -0.346 -4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.160 1.853 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.530 1.057 -2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -7.928 1.080 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.345 0.510 -4.278 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.043 -0.317 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.391 -1.267 -4.196 1.00 0.00 H new ATOM 1661 N LEU A 101 -10.459 -3.704 -1.613 1.00 0.00 N ATOM 1662 CA LEU A 101 -10.938 -4.680 -0.640 1.00 0.00 C ATOM 1663 C LEU A 101 -10.952 -6.083 -1.239 1.00 0.00 C ATOM 1664 O LEU A 101 -10.491 -7.041 -0.616 1.00 0.00 O ATOM 1665 CB LEU A 101 -12.340 -4.304 -0.158 1.00 0.00 C ATOM 1666 CG LEU A 101 -12.419 -3.156 0.848 1.00 0.00 C ATOM 1667 CD1 LEU A 101 -13.868 -2.843 1.188 1.00 0.00 C ATOM 1668 CD2 LEU A 101 -11.635 -3.496 2.107 1.00 0.00 C ATOM 0 H LEU A 101 -11.094 -2.923 -1.774 1.00 0.00 H new ATOM 0 HA LEU A 101 -10.256 -4.674 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.943 -4.041 -1.027 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.797 -5.186 0.291 1.00 0.00 H new ATOM 0 HG LEU A 101 -11.974 -2.270 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -13.904 -2.023 1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -14.401 -2.556 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -14.339 -3.725 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.702 -2.668 2.812 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -12.050 -4.395 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -10.590 -3.669 1.849 1.00 0.00 H new ATOM 1680 N LYS A 102 -11.483 -6.198 -2.451 1.00 0.00 N ATOM 1681 CA LYS A 102 -11.555 -7.483 -3.137 1.00 0.00 C ATOM 1682 C LYS A 102 -10.164 -8.081 -3.319 1.00 0.00 C ATOM 1683 O LYS A 102 -9.923 -9.236 -2.965 1.00 0.00 O ATOM 1684 CB LYS A 102 -12.234 -7.320 -4.499 1.00 0.00 C ATOM 1685 CG LYS A 102 -13.750 -7.286 -4.423 1.00 0.00 C ATOM 1686 CD LYS A 102 -14.378 -7.270 -5.806 1.00 0.00 C ATOM 1687 CE LYS A 102 -14.135 -5.947 -6.513 1.00 0.00 C ATOM 1688 NZ LYS A 102 -15.029 -5.775 -7.693 1.00 0.00 N ATOM 0 H LYS A 102 -11.870 -5.416 -2.979 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.146 -8.162 -2.522 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.881 -6.399 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.930 -8.141 -5.148 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.107 -8.155 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.068 -6.403 -3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.966 -8.084 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -15.450 -7.447 -5.722 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -14.295 -5.127 -5.813 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.095 -5.893 -6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.832 -4.861 -8.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.858 -6.543 -8.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -16.021 -5.801 -7.383 1.00 0.00 H new ATOM 1702 N ASP A 103 -9.252 -7.289 -3.871 1.00 0.00 N ATOM 1703 CA ASP A 103 -7.883 -7.740 -4.097 1.00 0.00 C ATOM 1704 C ASP A 103 -7.263 -8.263 -2.806 1.00 0.00 C ATOM 1705 O ASP A 103 -6.588 -9.294 -2.801 1.00 0.00 O ATOM 1706 CB ASP A 103 -7.034 -6.600 -4.660 1.00 0.00 C ATOM 1707 CG ASP A 103 -7.049 -6.559 -6.176 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -7.840 -7.314 -6.780 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -6.270 -5.776 -6.757 1.00 0.00 O ATOM 0 H ASP A 103 -9.435 -6.331 -4.170 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.910 -8.554 -4.821 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.402 -5.651 -4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -6.007 -6.711 -4.313 1.00 0.00 H new ATOM 1714 N LEU A 104 -7.495 -7.546 -1.711 1.00 0.00 N ATOM 1715 CA LEU A 104 -6.958 -7.937 -0.413 1.00 0.00 C ATOM 1716 C LEU A 104 -7.500 -9.298 0.014 1.00 0.00 C ATOM 1717 O LEU A 104 -6.740 -10.193 0.383 1.00 0.00 O ATOM 1718 CB LEU A 104 -7.304 -6.885 0.642 1.00 0.00 C ATOM 1719 CG LEU A 104 -6.719 -5.490 0.417 1.00 0.00 C ATOM 1720 CD1 LEU A 104 -7.571 -4.435 1.106 1.00 0.00 C ATOM 1721 CD2 LEU A 104 -5.282 -5.429 0.916 1.00 0.00 C ATOM 0 H LEU A 104 -8.051 -6.691 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.874 -8.010 -0.504 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.389 -6.797 0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.964 -7.247 1.612 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.720 -5.284 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -7.139 -3.449 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -8.583 -4.463 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.603 -4.636 2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.881 -4.430 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.257 -5.656 1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.678 -6.158 0.376 1.00 0.00 H new ATOM 1733 N LYS A 105 -8.818 -9.448 -0.043 1.00 0.00 N ATOM 1734 CA LYS A 105 -9.463 -10.700 0.334 1.00 0.00 C ATOM 1735 C LYS A 105 -8.862 -11.874 -0.434 1.00 0.00 C ATOM 1736 O LYS A 105 -8.563 -12.917 0.145 1.00 0.00 O ATOM 1737 CB LYS A 105 -10.969 -10.622 0.070 1.00 0.00 C ATOM 1738 CG LYS A 105 -11.760 -10.045 1.231 1.00 0.00 C ATOM 1739 CD LYS A 105 -13.094 -9.482 0.771 1.00 0.00 C ATOM 1740 CE LYS A 105 -14.019 -10.580 0.269 1.00 0.00 C ATOM 1741 NZ LYS A 105 -14.289 -11.601 1.318 1.00 0.00 N ATOM 0 H LYS A 105 -9.462 -8.717 -0.347 1.00 0.00 H new ATOM 0 HA LYS A 105 -9.295 -10.860 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -11.143 -10.012 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.343 -11.621 -0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -11.929 -10.820 1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.179 -9.259 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.570 -8.952 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.928 -8.753 -0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.960 -10.140 -0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.572 -11.062 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.135 -12.148 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.473 -12.241 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.447 -11.128 2.230 1.00 0.00 H new ATOM 1755 N GLU A 106 -8.689 -11.694 -1.740 1.00 0.00 N ATOM 1756 CA GLU A 106 -8.122 -12.738 -2.586 1.00 0.00 C ATOM 1757 C GLU A 106 -6.674 -13.025 -2.199 1.00 0.00 C ATOM 1758 O GLU A 106 -6.238 -14.177 -2.193 1.00 0.00 O ATOM 1759 CB GLU A 106 -8.198 -12.330 -4.058 1.00 0.00 C ATOM 1760 CG GLU A 106 -7.748 -13.420 -5.015 1.00 0.00 C ATOM 1761 CD GLU A 106 -8.480 -13.369 -6.343 1.00 0.00 C ATOM 1762 OE1 GLU A 106 -9.720 -13.226 -6.333 1.00 0.00 O ATOM 1763 OE2 GLU A 106 -7.810 -13.472 -7.392 1.00 0.00 O ATOM 0 H GLU A 106 -8.933 -10.836 -2.235 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.706 -13.647 -2.439 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.224 -12.050 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.582 -11.445 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.677 -13.324 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -7.909 -14.394 -4.553 1.00 0.00 H new ATOM 1770 N THR A 107 -5.934 -11.970 -1.878 1.00 0.00 N ATOM 1771 CA THR A 107 -4.535 -12.107 -1.491 1.00 0.00 C ATOM 1772 C THR A 107 -4.388 -12.999 -0.264 1.00 0.00 C ATOM 1773 O THR A 107 -3.639 -13.975 -0.281 1.00 0.00 O ATOM 1774 CB THR A 107 -3.896 -10.737 -1.195 1.00 0.00 C ATOM 1775 OG1 THR A 107 -3.964 -9.904 -2.358 1.00 0.00 O ATOM 1776 CG2 THR A 107 -2.447 -10.896 -0.763 1.00 0.00 C ATOM 0 H THR A 107 -6.280 -11.010 -1.878 1.00 0.00 H new ATOM 0 HA THR A 107 -4.019 -12.566 -2.334 1.00 0.00 H new ATOM 0 HB THR A 107 -4.451 -10.271 -0.381 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.897 -9.659 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.018 -9.915 -0.560 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.401 -11.506 0.139 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.881 -11.382 -1.558 1.00 0.00 H new ATOM 1784 N GLU A 108 -5.109 -12.657 0.800 1.00 0.00 N ATOM 1785 CA GLU A 108 -5.057 -13.429 2.036 1.00 0.00 C ATOM 1786 C GLU A 108 -5.555 -14.854 1.809 1.00 0.00 C ATOM 1787 O GLU A 108 -4.988 -15.811 2.335 1.00 0.00 O ATOM 1788 CB GLU A 108 -5.895 -12.752 3.121 1.00 0.00 C ATOM 1789 CG GLU A 108 -7.333 -12.492 2.707 1.00 0.00 C ATOM 1790 CD GLU A 108 -8.127 -11.766 3.777 1.00 0.00 C ATOM 1791 OE1 GLU A 108 -8.594 -12.431 4.725 1.00 0.00 O ATOM 1792 OE2 GLU A 108 -8.280 -10.531 3.665 1.00 0.00 O ATOM 0 H GLU A 108 -5.735 -11.852 0.831 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.018 -13.473 2.363 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.890 -13.377 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -5.427 -11.805 3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -7.342 -11.902 1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -7.819 -13.441 2.480 1.00 0.00 H new ATOM 1799 N GLN A 109 -6.620 -14.985 1.024 1.00 0.00 N ATOM 1800 CA GLN A 109 -7.196 -16.292 0.729 1.00 0.00 C ATOM 1801 C GLN A 109 -6.142 -17.233 0.155 1.00 0.00 C ATOM 1802 O GLN A 109 -5.948 -18.343 0.651 1.00 0.00 O ATOM 1803 CB GLN A 109 -8.360 -16.150 -0.253 1.00 0.00 C ATOM 1804 CG GLN A 109 -9.648 -15.669 0.396 1.00 0.00 C ATOM 1805 CD GLN A 109 -10.510 -16.812 0.894 1.00 0.00 C ATOM 1806 OE1 GLN A 109 -11.356 -17.331 0.164 1.00 0.00 O ATOM 1807 NE2 GLN A 109 -10.303 -17.209 2.144 1.00 0.00 N ATOM 0 H GLN A 109 -7.101 -14.202 0.581 1.00 0.00 H new ATOM 0 HA GLN A 109 -7.567 -16.717 1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -8.077 -15.452 -1.041 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.541 -17.113 -0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -9.407 -15.010 1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -10.215 -15.078 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -9.592 -16.751 2.713 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.855 -17.972 2.535 1.00 0.00 H new ATOM 1816 N LYS A 110 -5.463 -16.783 -0.895 1.00 0.00 N ATOM 1817 CA LYS A 110 -4.428 -17.584 -1.539 1.00 0.00 C ATOM 1818 C LYS A 110 -3.279 -17.864 -0.575 1.00 0.00 C ATOM 1819 O LYS A 110 -2.840 -19.005 -0.431 1.00 0.00 O ATOM 1820 CB LYS A 110 -3.900 -16.868 -2.784 1.00 0.00 C ATOM 1821 CG LYS A 110 -4.780 -17.051 -4.009 1.00 0.00 C ATOM 1822 CD LYS A 110 -4.347 -16.141 -5.147 1.00 0.00 C ATOM 1823 CE LYS A 110 -5.110 -16.448 -6.427 1.00 0.00 C ATOM 1824 NZ LYS A 110 -4.726 -15.530 -7.534 1.00 0.00 N ATOM 0 H LYS A 110 -5.611 -15.867 -1.318 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.871 -18.535 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -3.807 -15.803 -2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -2.899 -17.236 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -4.738 -18.090 -4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -5.817 -16.841 -3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -4.511 -15.101 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -3.278 -16.259 -5.322 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -4.918 -17.478 -6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -6.181 -16.365 -6.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.267 -15.771 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -4.933 -14.549 -7.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.709 -15.628 -7.729 1.00 0.00 H new ATOM 1838 N VAL A 111 -2.798 -16.815 0.085 1.00 0.00 N ATOM 1839 CA VAL A 111 -1.702 -16.949 1.037 1.00 0.00 C ATOM 1840 C VAL A 111 -2.033 -17.975 2.116 1.00 0.00 C ATOM 1841 O VAL A 111 -1.160 -18.708 2.579 1.00 0.00 O ATOM 1842 CB VAL A 111 -1.375 -15.602 1.709 1.00 0.00 C ATOM 1843 CG1 VAL A 111 -0.281 -15.776 2.752 1.00 0.00 C ATOM 1844 CG2 VAL A 111 -0.971 -14.571 0.667 1.00 0.00 C ATOM 0 H VAL A 111 -3.150 -15.864 -0.022 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.832 -17.287 0.473 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.271 -15.242 2.215 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.064 -14.814 3.216 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.614 -16.479 3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.620 -16.160 2.274 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -0.744 -13.626 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.089 -14.922 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.790 -14.425 -0.037 1.00 0.00 H new ATOM 1854 N LYS A 112 -3.301 -18.022 2.511 1.00 0.00 N ATOM 1855 CA LYS A 112 -3.750 -18.960 3.533 1.00 0.00 C ATOM 1856 C LYS A 112 -3.887 -20.366 2.959 1.00 0.00 C ATOM 1857 O LYS A 112 -3.642 -21.356 3.649 1.00 0.00 O ATOM 1858 CB LYS A 112 -5.088 -18.505 4.120 1.00 0.00 C ATOM 1859 CG LYS A 112 -4.956 -17.383 5.135 1.00 0.00 C ATOM 1860 CD LYS A 112 -6.212 -16.530 5.191 1.00 0.00 C ATOM 1861 CE LYS A 112 -7.425 -17.350 5.602 1.00 0.00 C ATOM 1862 NZ LYS A 112 -7.186 -18.094 6.870 1.00 0.00 N ATOM 0 H LYS A 112 -4.036 -17.421 2.138 1.00 0.00 H new ATOM 0 HA LYS A 112 -3.001 -18.981 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.738 -18.176 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.576 -19.357 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.757 -17.804 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.101 -16.757 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.067 -15.713 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.390 -16.079 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.285 -16.691 5.724 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.673 -18.055 4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.091 -18.445 7.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.552 -18.898 6.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.748 -17.459 7.568 1.00 0.00 H new ATOM 1876 N ASP A 113 -4.277 -20.448 1.692 1.00 0.00 N ATOM 1877 CA ASP A 113 -4.445 -21.733 1.024 1.00 0.00 C ATOM 1878 C ASP A 113 -3.113 -22.471 0.924 1.00 0.00 C ATOM 1879 O ASP A 113 -3.038 -23.673 1.182 1.00 0.00 O ATOM 1880 CB ASP A 113 -5.038 -21.534 -0.372 1.00 0.00 C ATOM 1881 CG ASP A 113 -5.777 -22.761 -0.867 1.00 0.00 C ATOM 1882 OD1 ASP A 113 -6.982 -22.890 -0.565 1.00 0.00 O ATOM 1883 OD2 ASP A 113 -5.151 -23.594 -1.557 1.00 0.00 O ATOM 0 H ASP A 113 -4.483 -19.639 1.106 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.131 -22.336 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -5.720 -20.684 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -4.239 -21.288 -1.071 1.00 0.00 H new ATOM 1888 N ILE A 114 -2.067 -21.744 0.547 1.00 0.00 N ATOM 1889 CA ILE A 114 -0.738 -22.329 0.414 1.00 0.00 C ATOM 1890 C ILE A 114 -0.290 -22.981 1.718 1.00 0.00 C ATOM 1891 O ILE A 114 -0.290 -22.345 2.771 1.00 0.00 O ATOM 1892 CB ILE A 114 0.302 -21.274 -0.004 1.00 0.00 C ATOM 1893 CG1 ILE A 114 0.231 -21.024 -1.512 1.00 0.00 C ATOM 1894 CG2 ILE A 114 1.700 -21.720 0.398 1.00 0.00 C ATOM 1895 CD1 ILE A 114 -0.447 -19.721 -1.876 1.00 0.00 C ATOM 0 H ILE A 114 -2.114 -20.749 0.328 1.00 0.00 H new ATOM 0 HA ILE A 114 -0.805 -23.089 -0.364 1.00 0.00 H new ATOM 0 HB ILE A 114 0.077 -20.340 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 114 1.242 -21.025 -1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.305 -21.848 -1.984 1.00 0.00 H new ATOM 0 HG21 ILE A 114 2.424 -20.964 0.096 1.00 0.00 H new ATOM 0 HG22 ILE A 114 1.743 -21.852 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.936 -22.664 -0.092 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -0.462 -19.609 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.469 -19.725 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 114 0.101 -18.889 -1.433 1.00 0.00 H new ATOM 1907 N GLN A 115 0.090 -24.251 1.638 1.00 0.00 N ATOM 1908 CA GLN A 115 0.542 -24.988 2.812 1.00 0.00 C ATOM 1909 C GLN A 115 2.016 -24.717 3.091 1.00 0.00 C ATOM 1910 O GLN A 115 2.852 -24.777 2.189 1.00 0.00 O ATOM 1911 CB GLN A 115 0.315 -26.489 2.617 1.00 0.00 C ATOM 1912 CG GLN A 115 1.205 -27.105 1.550 1.00 0.00 C ATOM 1913 CD GLN A 115 2.449 -27.750 2.127 1.00 0.00 C ATOM 1914 OE1 GLN A 115 2.682 -27.703 3.335 1.00 0.00 O ATOM 1915 NE2 GLN A 115 3.256 -28.356 1.265 1.00 0.00 N ATOM 0 H GLN A 115 0.094 -24.791 0.773 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.039 -24.648 3.669 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.490 -27.000 3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -0.728 -26.659 2.351 1.00 0.00 H new ATOM 0 HG2 GLN A 115 0.637 -27.852 0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 115 1.498 -26.334 0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.023 -28.370 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.109 -28.807 1.596 1.00 0.00 H new ATOM 1924 N THR A 116 2.330 -24.417 4.348 1.00 0.00 N ATOM 1925 CA THR A 116 3.704 -24.135 4.746 1.00 0.00 C ATOM 1926 C THR A 116 3.985 -24.650 6.153 1.00 0.00 C ATOM 1927 O THR A 116 3.075 -25.088 6.857 1.00 0.00 O ATOM 1928 CB THR A 116 4.004 -22.625 4.695 1.00 0.00 C ATOM 1929 OG1 THR A 116 3.217 -21.935 5.672 1.00 0.00 O ATOM 1930 CG2 THR A 116 3.713 -22.062 3.312 1.00 0.00 C ATOM 0 H THR A 116 1.651 -24.363 5.108 1.00 0.00 H new ATOM 0 HA THR A 116 4.351 -24.651 4.037 1.00 0.00 H new ATOM 0 HB THR A 116 5.062 -22.480 4.914 1.00 0.00 H new ATOM 0 HG1 THR A 116 3.765 -21.751 6.463 1.00 0.00 H new ATOM 0 HG21 THR A 116 3.932 -20.994 3.300 1.00 0.00 H new ATOM 0 HG22 THR A 116 4.336 -22.568 2.575 1.00 0.00 H new ATOM 0 HG23 THR A 116 2.662 -22.219 3.069 1.00 0.00 H new ATOM 1938 N GLN A 117 5.250 -24.596 6.556 1.00 0.00 N ATOM 1939 CA GLN A 117 5.650 -25.057 7.880 1.00 0.00 C ATOM 1940 C GLN A 117 5.383 -23.987 8.933 1.00 0.00 C ATOM 1941 O GLN A 117 4.789 -22.949 8.642 1.00 0.00 O ATOM 1942 CB GLN A 117 7.132 -25.436 7.885 1.00 0.00 C ATOM 1943 CG GLN A 117 7.434 -26.705 8.664 1.00 0.00 C ATOM 1944 CD GLN A 117 7.300 -26.516 10.163 1.00 0.00 C ATOM 1945 OE1 GLN A 117 7.762 -25.519 10.718 1.00 0.00 O ATOM 1946 NE2 GLN A 117 6.664 -27.474 10.827 1.00 0.00 N ATOM 0 H GLN A 117 6.015 -24.238 5.985 1.00 0.00 H new ATOM 0 HA GLN A 117 5.056 -25.938 8.125 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.469 -25.563 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 117 7.707 -24.613 8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.757 -27.496 8.339 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.446 -27.037 8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 117 6.297 -28.284 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 117 6.543 -27.400 11.837 1.00 0.00 H new TER 1955 GLN A 117