USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 732 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: B 76 SER OG : rot 180:sc= -0.0106 USER MOD Set 1.2: B 80 ASN : amide:sc= 1.23 K(o=1.2,f=-0.37) USER MOD Set 2.1: B 62 LYS NZ :NH3+ 161:sc= 1.21 (180deg=-0.26) USER MOD Set 2.2: B 65 THR OG1 : rot 123:sc= 0.162 USER MOD Set 3.1: B 11 ASN : amide:sc= 1.08 K(o=2.3,f=-0.5) USER MOD Set 3.2: B 15 SER OG : rot 163:sc= 1.21 USER MOD Single : B 1 ASP N :NH3+ 136:sc= 0.046 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= -0.103 K(o=-0.1,f=-3.7!) USER MOD Single : B 3 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : B 4 LYS NZ :NH3+ 129:sc= -0.0701 (180deg=-0.407) USER MOD Single : B 9 GLN :FLIP amide:sc= -0.183 F(o=-0.95,f=-0.18) USER MOD Single : B 10 MET CE :methyl -158:sc= -0.102 (180deg=-0.887) USER MOD Single : B 12 SER OG : rot -140:sc= 0 USER MOD Single : B 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 17 ASN : amide:sc= -3.08! C(o=-3.1!,f=-3!) USER MOD Single : B 19 LYS NZ :NH3+ -177:sc= 0.0365 (180deg=0.0357) USER MOD Single : B 21 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 22 LYS NZ :NH3+ 166:sc= -0.0309 (180deg=-0.243) USER MOD Single : B 24 LYS NZ :NH3+ -146:sc= 1.18 (180deg=0.948) USER MOD Single : B 26 LYS NZ :NH3+ 157:sc= -0.787 (180deg=-1.45) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -170:sc= -0.447 USER MOD Single : B 31 MET CE :methyl 143:sc= -0.477 (180deg=-2.33!) USER MOD Single : B 32 ASN : amide:sc= 0.281 X(o=0.28,f=0) USER MOD Single : B 34 ASN :FLIP amide:sc= -0.192 F(o=-0.74,f=-0.19) USER MOD Single : B 35 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 SER OG : rot 34:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : B 45 TYR OH : rot -90:sc= -1.53! USER MOD Single : B 48 SER OG : rot 180:sc= -0.018 USER MOD Single : B 49 TYR OH : rot 180:sc= -0.383 USER MOD Single : B 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= 0.138 K(o=0.14,f=-6.2!) USER MOD Single : B 59 ASN : amide:sc= -3.27! C(o=-3.3!,f=-3.2!) USER MOD Single : B 64 TYR OH : rot -70:sc= -0.349 USER MOD Single : B 67 ASN : amide:sc= -3.27! C(o=-3.3!,f=-8.2!) USER MOD Single : B 69 LYS NZ :NH3+ 166:sc= -0.0463 (180deg=-0.238) USER MOD Single : B 70 SER OG : rot 22:sc= 0.0421 USER MOD Single : B 71 THR OG1 : rot -9:sc= 1.41 USER MOD Single : B 74 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : B 81 LYS NZ :NH3+ -169:sc= 1.29 (180deg=0.927) USER MOD Single : B 83 ASN : amide:sc= -0.0598 K(o=-0.06,f=-0.86) USER MOD Single : B 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 87 MET CE :methyl 151:sc= -0.238 (180deg=-0.934) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ -179:sc= 1.27 (180deg=1.26) USER MOD Single : B 93 GLN :FLIP amide:sc= -0.921 F(o=-1.9,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 25.402 -1.837 -5.083 1.00 0.00 N ATOM 2 CA ASP B 1 25.107 -2.718 -3.930 1.00 0.00 C ATOM 3 C ASP B 1 25.194 -1.929 -2.634 1.00 0.00 C ATOM 4 O ASP B 1 25.987 -0.995 -2.520 1.00 0.00 O ATOM 5 CB ASP B 1 26.084 -3.900 -3.882 1.00 0.00 C ATOM 6 CG ASP B 1 27.519 -3.471 -3.641 1.00 0.00 C ATOM 7 OD1 ASP B 1 28.184 -3.044 -4.608 1.00 0.00 O ATOM 8 OD2 ASP B 1 27.988 -3.562 -2.486 1.00 0.00 O1- ATOM 0 H1 ASP B 1 26.038 -2.329 -5.742 1.00 0.00 H new ATOM 0 H2 ASP B 1 24.516 -1.596 -5.571 1.00 0.00 H new ATOM 0 H3 ASP B 1 25.860 -0.966 -4.746 1.00 0.00 H new ATOM 0 HA ASP B 1 24.096 -3.107 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP B 1 25.778 -4.586 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP B 1 26.027 -4.450 -4.821 1.00 0.00 H new ATOM 15 N ASN B 2 24.367 -2.301 -1.668 1.00 0.00 N ATOM 16 CA ASN B 2 24.364 -1.655 -0.360 1.00 0.00 C ATOM 17 C ASN B 2 23.639 -2.547 0.645 1.00 0.00 C ATOM 18 O ASN B 2 22.421 -2.709 0.578 1.00 0.00 O ATOM 19 CB ASN B 2 23.687 -0.282 -0.443 1.00 0.00 C ATOM 20 CG ASN B 2 23.964 0.587 0.771 1.00 0.00 C ATOM 21 OD1 ASN B 2 23.249 0.538 1.766 1.00 0.00 O ATOM 22 ND2 ASN B 2 25.002 1.406 0.688 1.00 0.00 N ATOM 0 H ASN B 2 23.684 -3.052 -1.765 1.00 0.00 H new ATOM 0 HA ASN B 2 25.393 -1.507 -0.031 1.00 0.00 H new ATOM 0 HB2 ASN B 2 24.032 0.234 -1.339 1.00 0.00 H new ATOM 0 HB3 ASN B 2 22.611 -0.419 -0.548 1.00 0.00 H new ATOM 0 HD21 ASN B 2 25.228 2.023 1.468 1.00 0.00 H new ATOM 0 HD22 ASN B 2 25.575 1.420 -0.156 1.00 0.00 H new ATOM 29 N GLN B 3 24.394 -3.148 1.553 1.00 0.00 N ATOM 30 CA GLN B 3 23.843 -4.110 2.496 1.00 0.00 C ATOM 31 C GLN B 3 23.082 -3.432 3.633 1.00 0.00 C ATOM 32 O GLN B 3 22.138 -4.000 4.176 1.00 0.00 O ATOM 33 CB GLN B 3 24.965 -4.983 3.053 1.00 0.00 C ATOM 34 CG GLN B 3 26.020 -4.213 3.831 1.00 0.00 C ATOM 35 CD GLN B 3 27.081 -5.116 4.423 1.00 0.00 C ATOM 36 OE1 GLN B 3 27.387 -6.178 3.880 1.00 0.00 O ATOM 37 NE2 GLN B 3 27.650 -4.700 5.543 1.00 0.00 N ATOM 0 H GLN B 3 25.396 -2.985 1.657 1.00 0.00 H new ATOM 0 HA GLN B 3 23.127 -4.731 1.958 1.00 0.00 H new ATOM 0 HB2 GLN B 3 24.531 -5.743 3.703 1.00 0.00 H new ATOM 0 HB3 GLN B 3 25.447 -5.507 2.228 1.00 0.00 H new ATOM 0 HG2 GLN B 3 26.494 -3.486 3.172 1.00 0.00 H new ATOM 0 HG3 GLN B 3 25.538 -3.651 4.631 1.00 0.00 H new ATOM 0 HE21 GLN B 3 27.367 -3.813 5.960 1.00 0.00 H new ATOM 0 HE22 GLN B 3 28.372 -5.266 5.989 1.00 0.00 H new ATOM 46 N LYS B 4 23.484 -2.218 3.985 1.00 0.00 N ATOM 47 CA LYS B 4 22.870 -1.490 5.065 1.00 0.00 C ATOM 48 C LYS B 4 21.659 -0.699 4.561 1.00 0.00 C ATOM 49 O LYS B 4 21.028 0.059 5.305 1.00 0.00 O ATOM 50 CB LYS B 4 23.928 -0.567 5.658 1.00 0.00 C ATOM 51 CG LYS B 4 23.442 0.226 6.841 1.00 0.00 C ATOM 52 CD LYS B 4 23.043 -0.673 8.001 1.00 0.00 C ATOM 53 CE LYS B 4 22.320 0.104 9.088 1.00 0.00 C ATOM 54 NZ LYS B 4 21.027 0.657 8.604 1.00 0.00 N1+ ATOM 0 H LYS B 4 24.245 -1.719 3.525 1.00 0.00 H new ATOM 0 HA LYS B 4 22.504 -2.174 5.831 1.00 0.00 H new ATOM 0 HB2 LYS B 4 24.790 -1.163 5.960 1.00 0.00 H new ATOM 0 HB3 LYS B 4 24.271 0.122 4.886 1.00 0.00 H new ATOM 0 HG2 LYS B 4 24.225 0.911 7.165 1.00 0.00 H new ATOM 0 HG3 LYS B 4 22.589 0.835 6.544 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.400 -1.474 7.637 1.00 0.00 H new ATOM 0 HD3 LYS B 4 23.932 -1.144 8.420 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.139 -0.548 9.942 1.00 0.00 H new ATOM 0 HE3 LYS B 4 22.956 0.918 9.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 20.269 0.397 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 21.093 1.693 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 20.814 0.268 7.663 1.00 0.00 H new ATOM 68 N ALA B 5 21.333 -0.917 3.297 1.00 0.00 N ATOM 69 CA ALA B 5 20.276 -0.184 2.616 1.00 0.00 C ATOM 70 C ALA B 5 18.950 -0.238 3.364 1.00 0.00 C ATOM 71 O ALA B 5 18.473 -1.309 3.750 1.00 0.00 O ATOM 72 CB ALA B 5 20.102 -0.720 1.207 1.00 0.00 C ATOM 0 H ALA B 5 21.796 -1.611 2.711 1.00 0.00 H new ATOM 0 HA ALA B 5 20.580 0.862 2.580 1.00 0.00 H new ATOM 0 HB1 ALA B 5 19.309 -0.167 0.703 1.00 0.00 H new ATOM 0 HB2 ALA B 5 21.035 -0.602 0.655 1.00 0.00 H new ATOM 0 HB3 ALA B 5 19.837 -1.776 1.250 1.00 0.00 H new ATOM 78 N LEU B 6 18.360 0.930 3.563 1.00 0.00 N ATOM 79 CA LEU B 6 17.049 1.036 4.179 1.00 0.00 C ATOM 80 C LEU B 6 15.987 1.207 3.105 1.00 0.00 C ATOM 81 O LEU B 6 14.837 1.527 3.392 1.00 0.00 O ATOM 82 CB LEU B 6 17.001 2.206 5.167 1.00 0.00 C ATOM 83 CG LEU B 6 17.949 2.089 6.365 1.00 0.00 C ATOM 84 CD1 LEU B 6 17.779 3.280 7.292 1.00 0.00 C ATOM 85 CD2 LEU B 6 17.707 0.791 7.121 1.00 0.00 C ATOM 0 H LEU B 6 18.774 1.825 3.304 1.00 0.00 H new ATOM 0 HA LEU B 6 16.852 0.119 4.734 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.234 3.125 4.629 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.981 2.304 5.539 1.00 0.00 H new ATOM 0 HG LEU B 6 18.973 2.080 5.991 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.459 3.182 8.138 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.004 4.198 6.750 1.00 0.00 H new ATOM 0 HD13 LEU B 6 16.752 3.315 7.654 1.00 0.00 H new ATOM 0 HD21 LEU B 6 18.391 0.730 7.967 1.00 0.00 H new ATOM 0 HD22 LEU B 6 16.679 0.767 7.483 1.00 0.00 H new ATOM 0 HD23 LEU B 6 17.877 -0.055 6.455 1.00 0.00 H new ATOM 97 N GLU B 7 16.395 1.012 1.856 1.00 0.00 N ATOM 98 CA GLU B 7 15.466 1.002 0.736 1.00 0.00 C ATOM 99 C GLU B 7 14.596 -0.247 0.787 1.00 0.00 C ATOM 100 O GLU B 7 13.447 -0.238 0.355 1.00 0.00 O ATOM 101 CB GLU B 7 16.227 1.084 -0.587 1.00 0.00 C ATOM 102 CG GLU B 7 17.387 0.124 -0.653 1.00 0.00 C ATOM 103 CD GLU B 7 17.179 -0.999 -1.645 1.00 0.00 C ATOM 104 OE1 GLU B 7 17.488 -0.805 -2.839 1.00 0.00 O1- ATOM 105 OE2 GLU B 7 16.717 -2.082 -1.238 1.00 0.00 O ATOM 0 H GLU B 7 17.369 0.858 1.595 1.00 0.00 H new ATOM 0 HA GLU B 7 14.817 1.875 0.808 1.00 0.00 H new ATOM 0 HB2 GLU B 7 15.542 0.876 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.594 2.101 -0.728 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.289 0.673 -0.921 1.00 0.00 H new ATOM 0 HG3 GLU B 7 17.555 -0.301 0.337 1.00 0.00 H new ATOM 112 N GLU B 8 15.156 -1.322 1.325 1.00 0.00 N ATOM 113 CA GLU B 8 14.418 -2.545 1.515 1.00 0.00 C ATOM 114 C GLU B 8 13.879 -2.609 2.932 1.00 0.00 C ATOM 115 O GLU B 8 12.762 -3.062 3.184 1.00 0.00 O ATOM 116 CB GLU B 8 15.304 -3.754 1.206 1.00 0.00 C ATOM 117 CG GLU B 8 16.444 -3.959 2.188 1.00 0.00 C ATOM 118 CD GLU B 8 17.361 -5.096 1.797 1.00 0.00 C ATOM 119 OE1 GLU B 8 16.939 -6.269 1.885 1.00 0.00 O1- ATOM 120 OE2 GLU B 8 18.514 -4.828 1.404 1.00 0.00 O ATOM 0 H GLU B 8 16.126 -1.363 1.637 1.00 0.00 H new ATOM 0 HA GLU B 8 13.573 -2.564 0.826 1.00 0.00 H new ATOM 0 HB2 GLU B 8 14.684 -4.651 1.194 1.00 0.00 H new ATOM 0 HB3 GLU B 8 15.719 -3.640 0.204 1.00 0.00 H new ATOM 0 HG2 GLU B 8 17.024 -3.039 2.260 1.00 0.00 H new ATOM 0 HG3 GLU B 8 16.033 -4.155 3.178 1.00 0.00 H new ATOM 127 N GLN B 9 14.691 -2.129 3.840 1.00 0.00 N ATOM 128 CA GLN B 9 14.341 -2.076 5.255 1.00 0.00 C ATOM 129 C GLN B 9 13.744 -0.719 5.602 1.00 0.00 C ATOM 130 O GLN B 9 14.368 0.099 6.278 1.00 0.00 O ATOM 131 CB GLN B 9 15.562 -2.357 6.133 1.00 0.00 C ATOM 132 CG GLN B 9 16.196 -3.716 5.887 1.00 0.00 C ATOM 133 CD GLN B 9 15.221 -4.866 6.064 1.00 0.00 C ATOM 134 OE1 GLN B 9 14.291 -4.727 6.996 1.00 0.00 O flip ATOM 135 NE2 GLN B 9 15.317 -5.887 5.384 1.00 0.00 N flip ATOM 0 H GLN B 9 15.618 -1.761 3.628 1.00 0.00 H new ATOM 0 HA GLN B 9 13.597 -2.849 5.449 1.00 0.00 H new ATOM 0 HB2 GLN B 9 16.308 -1.582 5.960 1.00 0.00 H new ATOM 0 HB3 GLN B 9 15.268 -2.288 7.180 1.00 0.00 H new ATOM 0 HG2 GLN B 9 16.602 -3.744 4.876 1.00 0.00 H new ATOM 0 HG3 GLN B 9 17.034 -3.849 6.571 1.00 0.00 H new ATOM 0 HE21 GLN B 9 16.046 -5.960 4.674 1.00 0.00 H new ATOM 0 HE22 GLN B 9 14.668 -6.660 5.530 1.00 0.00 H new ATOM 144 N MET B 10 12.531 -0.489 5.129 1.00 0.00 N ATOM 145 CA MET B 10 11.852 0.782 5.335 1.00 0.00 C ATOM 146 C MET B 10 10.951 0.730 6.563 1.00 0.00 C ATOM 147 O MET B 10 10.716 -0.334 7.129 1.00 0.00 O ATOM 148 CB MET B 10 11.014 1.133 4.101 1.00 0.00 C ATOM 149 CG MET B 10 11.841 1.454 2.869 1.00 0.00 C ATOM 150 SD MET B 10 10.844 1.583 1.373 1.00 0.00 S ATOM 151 CE MET B 10 10.338 -0.125 1.159 1.00 0.00 C ATOM 0 H MET B 10 11.992 -1.171 4.596 1.00 0.00 H new ATOM 0 HA MET B 10 12.611 1.548 5.494 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.351 0.298 3.874 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.381 1.989 4.335 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.372 2.392 3.028 1.00 0.00 H new ATOM 0 HG3 MET B 10 12.596 0.680 2.732 1.00 0.00 H new ATOM 0 HE1 MET B 10 10.063 -0.295 0.118 1.00 0.00 H new ATOM 0 HE2 MET B 10 11.162 -0.785 1.429 1.00 0.00 H new ATOM 0 HE3 MET B 10 9.481 -0.334 1.799 1.00 0.00 H new ATOM 161 N ASN B 11 10.459 1.883 6.983 1.00 0.00 N ATOM 162 CA ASN B 11 9.460 1.954 8.026 1.00 0.00 C ATOM 163 C ASN B 11 8.127 1.426 7.507 1.00 0.00 C ATOM 164 O ASN B 11 7.305 0.896 8.256 1.00 0.00 O ATOM 165 CB ASN B 11 9.296 3.398 8.511 1.00 0.00 C ATOM 166 CG ASN B 11 8.170 3.553 9.521 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.023 3.816 9.155 1.00 0.00 O ATOM 168 ND2 ASN B 11 8.487 3.385 10.795 1.00 0.00 N ATOM 0 H ASN B 11 10.741 2.790 6.611 1.00 0.00 H new ATOM 0 HA ASN B 11 9.787 1.339 8.864 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.230 3.735 8.960 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.103 4.045 7.655 1.00 0.00 H new ATOM 0 HD21 ASN B 11 7.770 3.472 11.515 1.00 0.00 H new ATOM 0 HD22 ASN B 11 9.449 3.168 11.057 1.00 0.00 H new ATOM 175 N SER B 12 7.951 1.542 6.198 1.00 0.00 N ATOM 176 CA SER B 12 6.700 1.204 5.541 1.00 0.00 C ATOM 177 C SER B 12 6.431 -0.298 5.581 1.00 0.00 C ATOM 178 O SER B 12 5.333 -0.742 5.252 1.00 0.00 O ATOM 179 CB SER B 12 6.747 1.702 4.098 1.00 0.00 C ATOM 180 OG SER B 12 7.132 3.067 4.061 1.00 0.00 O ATOM 0 H SER B 12 8.675 1.874 5.561 1.00 0.00 H new ATOM 0 HA SER B 12 5.883 1.690 6.074 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.452 1.102 3.522 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.769 1.580 3.632 1.00 0.00 H new ATOM 0 HG SER B 12 6.604 3.538 3.383 1.00 0.00 H new ATOM 186 N ILE B 13 7.435 -1.067 5.998 1.00 0.00 N ATOM 187 CA ILE B 13 7.314 -2.511 6.117 1.00 0.00 C ATOM 188 C ILE B 13 6.060 -2.907 6.889 1.00 0.00 C ATOM 189 O ILE B 13 5.250 -3.706 6.419 1.00 0.00 O ATOM 190 CB ILE B 13 8.546 -3.091 6.838 1.00 0.00 C ATOM 191 CG1 ILE B 13 9.804 -2.862 6.003 1.00 0.00 C ATOM 192 CG2 ILE B 13 8.362 -4.570 7.147 1.00 0.00 C ATOM 193 CD1 ILE B 13 9.860 -3.672 4.725 1.00 0.00 C ATOM 0 H ILE B 13 8.351 -0.704 6.261 1.00 0.00 H new ATOM 0 HA ILE B 13 7.246 -2.915 5.107 1.00 0.00 H new ATOM 0 HB ILE B 13 8.659 -2.570 7.788 1.00 0.00 H new ATOM 0 HG12 ILE B 13 9.871 -1.804 5.752 1.00 0.00 H new ATOM 0 HG13 ILE B 13 10.677 -3.102 6.610 1.00 0.00 H new ATOM 0 HG21 ILE B 13 9.249 -4.949 7.656 1.00 0.00 H new ATOM 0 HG22 ILE B 13 7.491 -4.702 7.789 1.00 0.00 H new ATOM 0 HG23 ILE B 13 8.214 -5.120 6.218 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.785 -3.449 4.193 1.00 0.00 H new ATOM 0 HD12 ILE B 13 9.827 -4.735 4.966 1.00 0.00 H new ATOM 0 HD13 ILE B 13 9.008 -3.416 4.094 1.00 0.00 H new ATOM 205 N ASN B 14 5.903 -2.329 8.068 1.00 0.00 N ATOM 206 CA ASN B 14 4.824 -2.700 8.960 1.00 0.00 C ATOM 207 C ASN B 14 3.708 -1.665 8.921 1.00 0.00 C ATOM 208 O ASN B 14 2.528 -2.011 8.950 1.00 0.00 O ATOM 209 CB ASN B 14 5.357 -2.831 10.386 1.00 0.00 C ATOM 210 CG ASN B 14 6.592 -3.710 10.472 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.494 -4.932 10.590 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.767 -3.088 10.434 1.00 0.00 N ATOM 0 H ASN B 14 6.515 -1.597 8.429 1.00 0.00 H new ATOM 0 HA ASN B 14 4.418 -3.657 8.632 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.594 -1.840 10.773 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.577 -3.245 11.025 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.631 -3.626 10.504 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.804 -2.073 10.335 1.00 0.00 H new ATOM 219 N SER B 15 4.094 -0.397 8.829 1.00 0.00 N ATOM 220 CA SER B 15 3.155 0.710 8.904 1.00 0.00 C ATOM 221 C SER B 15 2.076 0.616 7.830 1.00 0.00 C ATOM 222 O SER B 15 0.905 0.855 8.107 1.00 0.00 O ATOM 223 CB SER B 15 3.908 2.037 8.784 1.00 0.00 C ATOM 224 OG SER B 15 4.977 2.100 9.715 1.00 0.00 O ATOM 0 H SER B 15 5.065 -0.111 8.701 1.00 0.00 H new ATOM 0 HA SER B 15 2.656 0.659 9.871 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.296 2.149 7.771 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.221 2.866 8.956 1.00 0.00 H new ATOM 0 HG SER B 15 5.597 2.813 9.454 1.00 0.00 H new ATOM 230 N VAL B 16 2.469 0.251 6.613 1.00 0.00 N ATOM 231 CA VAL B 16 1.522 0.157 5.504 1.00 0.00 C ATOM 232 C VAL B 16 0.593 -1.031 5.698 1.00 0.00 C ATOM 233 O VAL B 16 -0.623 -0.919 5.531 1.00 0.00 O ATOM 234 CB VAL B 16 2.239 0.013 4.149 1.00 0.00 C ATOM 235 CG1 VAL B 16 1.236 -0.030 3.003 1.00 0.00 C ATOM 236 CG2 VAL B 16 3.231 1.143 3.948 1.00 0.00 C ATOM 0 H VAL B 16 3.431 0.016 6.369 1.00 0.00 H new ATOM 0 HA VAL B 16 0.947 1.083 5.497 1.00 0.00 H new ATOM 0 HB VAL B 16 2.786 -0.930 4.154 1.00 0.00 H new ATOM 0 HG11 VAL B 16 1.768 -0.132 2.057 1.00 0.00 H new ATOM 0 HG12 VAL B 16 0.567 -0.880 3.137 1.00 0.00 H new ATOM 0 HG13 VAL B 16 0.654 0.892 2.994 1.00 0.00 H new ATOM 0 HG21 VAL B 16 3.728 1.024 2.985 1.00 0.00 H new ATOM 0 HG22 VAL B 16 2.705 2.097 3.969 1.00 0.00 H new ATOM 0 HG23 VAL B 16 3.974 1.121 4.745 1.00 0.00 H new ATOM 246 N ASN B 17 1.178 -2.160 6.072 1.00 0.00 N ATOM 247 CA ASN B 17 0.423 -3.390 6.265 1.00 0.00 C ATOM 248 C ASN B 17 -0.608 -3.205 7.370 1.00 0.00 C ATOM 249 O ASN B 17 -1.759 -3.609 7.228 1.00 0.00 O ATOM 250 CB ASN B 17 1.370 -4.542 6.624 1.00 0.00 C ATOM 251 CG ASN B 17 0.778 -5.925 6.374 1.00 0.00 C ATOM 252 OD1 ASN B 17 1.511 -6.883 6.123 1.00 0.00 O ATOM 253 ND2 ASN B 17 -0.540 -6.050 6.428 1.00 0.00 N ATOM 0 H ASN B 17 2.179 -2.250 6.249 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.092 -3.632 5.336 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.288 -4.440 6.045 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.646 -4.459 7.675 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -0.974 -6.958 6.259 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -1.121 -5.238 6.638 1.00 0.00 H new ATOM 260 N ASP B 18 -0.194 -2.571 8.458 1.00 0.00 N ATOM 261 CA ASP B 18 -1.057 -2.392 9.613 1.00 0.00 C ATOM 262 C ASP B 18 -2.071 -1.281 9.377 1.00 0.00 C ATOM 263 O ASP B 18 -3.142 -1.271 9.981 1.00 0.00 O ATOM 264 CB ASP B 18 -0.213 -2.083 10.845 1.00 0.00 C ATOM 265 CG ASP B 18 -0.293 -3.176 11.889 1.00 0.00 C ATOM 266 OD1 ASP B 18 0.153 -4.307 11.607 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 -0.806 -2.911 12.997 1.00 0.00 O ATOM 0 H ASP B 18 0.738 -2.171 8.563 1.00 0.00 H new ATOM 0 HA ASP B 18 -1.608 -3.318 9.776 1.00 0.00 H new ATOM 0 HB2 ASP B 18 0.826 -1.946 10.545 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -0.545 -1.142 11.283 1.00 0.00 H new ATOM 272 N LYS B 19 -1.721 -0.339 8.508 1.00 0.00 N ATOM 273 CA LYS B 19 -2.593 0.756 8.157 1.00 0.00 C ATOM 274 C LYS B 19 -3.851 0.269 7.437 1.00 0.00 C ATOM 275 O LYS B 19 -4.964 0.690 7.748 1.00 0.00 O ATOM 276 CB LYS B 19 -1.799 1.684 7.257 1.00 0.00 C ATOM 277 CG LYS B 19 -1.896 3.140 7.629 1.00 0.00 C ATOM 278 CD LYS B 19 -3.248 3.738 7.281 1.00 0.00 C ATOM 279 CE LYS B 19 -3.418 3.938 5.783 1.00 0.00 C ATOM 280 NZ LYS B 19 -4.698 4.626 5.461 1.00 0.00 N1+ ATOM 0 H LYS B 19 -0.820 -0.321 8.030 1.00 0.00 H new ATOM 0 HA LYS B 19 -2.928 1.268 9.059 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -0.751 1.384 7.279 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.144 1.559 6.231 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -1.717 3.252 8.698 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -1.112 3.697 7.115 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -4.038 3.085 7.651 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -3.362 4.696 7.789 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -2.583 4.523 5.397 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.388 2.971 5.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -4.803 4.699 4.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -5.493 4.081 5.852 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -4.694 5.579 5.877 1.00 0.00 H new ATOM 294 N LEU B 20 -3.662 -0.613 6.469 1.00 0.00 N ATOM 295 CA LEU B 20 -4.764 -1.107 5.652 1.00 0.00 C ATOM 296 C LEU B 20 -5.453 -2.313 6.287 1.00 0.00 C ATOM 297 O LEU B 20 -6.662 -2.495 6.136 1.00 0.00 O ATOM 298 CB LEU B 20 -4.254 -1.451 4.253 1.00 0.00 C ATOM 299 CG LEU B 20 -4.150 -0.258 3.300 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.095 -0.500 2.232 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.502 0.007 2.652 1.00 0.00 C ATOM 0 H LEU B 20 -2.752 -1.005 6.227 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.511 -0.316 5.581 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.271 -1.914 4.343 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.918 -2.195 3.812 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.850 0.616 3.878 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -3.043 0.364 1.569 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.125 -0.652 2.706 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.359 -1.385 1.654 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -5.421 0.857 1.975 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.816 -0.874 2.092 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -6.239 0.227 3.424 1.00 0.00 H new ATOM 313 N ASN B 21 -4.690 -3.116 7.013 1.00 0.00 N ATOM 314 CA ASN B 21 -5.212 -4.331 7.624 1.00 0.00 C ATOM 315 C ASN B 21 -5.689 -4.043 9.042 1.00 0.00 C ATOM 316 O ASN B 21 -4.974 -4.277 10.017 1.00 0.00 O ATOM 317 CB ASN B 21 -4.140 -5.424 7.635 1.00 0.00 C ATOM 318 CG ASN B 21 -4.647 -6.754 8.164 1.00 0.00 C ATOM 319 OD1 ASN B 21 -5.817 -7.102 8.001 1.00 0.00 O ATOM 320 ND2 ASN B 21 -3.766 -7.509 8.799 1.00 0.00 N ATOM 0 H ASN B 21 -3.701 -2.947 7.195 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.059 -4.682 7.035 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -3.762 -5.563 6.622 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -3.300 -5.094 8.246 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -4.047 -8.415 9.174 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -2.806 -7.185 8.914 1.00 0.00 H new ATOM 327 N LYS B 22 -6.889 -3.504 9.144 1.00 0.00 N ATOM 328 CA LYS B 22 -7.479 -3.182 10.439 1.00 0.00 C ATOM 329 C LYS B 22 -8.818 -3.896 10.633 1.00 0.00 C ATOM 330 O LYS B 22 -8.879 -4.957 11.251 1.00 0.00 O ATOM 331 CB LYS B 22 -7.653 -1.669 10.593 1.00 0.00 C ATOM 332 CG LYS B 22 -6.341 -0.899 10.559 1.00 0.00 C ATOM 333 CD LYS B 22 -6.556 0.592 10.758 1.00 0.00 C ATOM 334 CE LYS B 22 -7.096 0.904 12.144 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.144 0.505 13.217 1.00 0.00 N1+ ATOM 0 H LYS B 22 -7.480 -3.277 8.344 1.00 0.00 H new ATOM 0 HA LYS B 22 -6.795 -3.534 11.211 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -8.300 -1.303 9.796 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.161 -1.464 11.535 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -5.677 -1.277 11.336 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.844 -1.070 9.604 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.613 1.118 10.608 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -7.251 0.963 10.005 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.302 1.972 12.221 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -8.044 0.385 12.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.432 0.940 14.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.147 -0.530 13.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -5.186 0.826 12.968 1.00 0.00 H new ATOM 349 N GLY B 23 -9.885 -3.315 10.099 1.00 0.00 N ATOM 350 CA GLY B 23 -11.201 -3.922 10.212 1.00 0.00 C ATOM 351 C GLY B 23 -11.938 -3.883 8.897 1.00 0.00 C ATOM 352 O GLY B 23 -13.162 -3.738 8.851 1.00 0.00 O ATOM 0 H GLY B 23 -9.864 -2.432 9.588 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.100 -4.955 10.544 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -11.781 -3.398 10.972 1.00 0.00 H new ATOM 356 N LYS B 24 -11.179 -4.015 7.827 1.00 0.00 N ATOM 357 CA LYS B 24 -11.707 -3.904 6.482 1.00 0.00 C ATOM 358 C LYS B 24 -11.594 -5.254 5.774 1.00 0.00 C ATOM 359 O LYS B 24 -11.712 -6.304 6.412 1.00 0.00 O ATOM 360 CB LYS B 24 -10.927 -2.815 5.732 1.00 0.00 C ATOM 361 CG LYS B 24 -10.889 -1.489 6.481 1.00 0.00 C ATOM 362 CD LYS B 24 -9.870 -0.526 5.894 1.00 0.00 C ATOM 363 CE LYS B 24 -9.707 0.702 6.777 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.607 1.592 6.320 1.00 0.00 N1+ ATOM 0 H LYS B 24 -10.177 -4.203 7.866 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.760 -3.625 6.508 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.907 -3.159 5.561 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.380 -2.660 4.753 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -11.877 -1.030 6.454 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.651 -1.672 7.529 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -8.910 -1.030 5.785 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -10.185 -0.221 4.896 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -10.642 1.263 6.790 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -9.511 0.385 7.801 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -8.152 2.033 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -7.904 1.034 5.795 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -8.994 2.332 5.701 1.00 0.00 H new ATOM 378 N GLY B 25 -11.380 -5.229 4.466 1.00 0.00 N ATOM 379 CA GLY B 25 -11.210 -6.463 3.724 1.00 0.00 C ATOM 380 C GLY B 25 -9.873 -7.109 4.013 1.00 0.00 C ATOM 381 O GLY B 25 -8.997 -6.485 4.616 1.00 0.00 O ATOM 0 H GLY B 25 -11.321 -4.379 3.906 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -12.012 -7.155 3.980 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -11.293 -6.260 2.656 1.00 0.00 H new ATOM 385 N LYS B 26 -9.710 -8.355 3.593 1.00 0.00 N ATOM 386 CA LYS B 26 -8.450 -9.050 3.782 1.00 0.00 C ATOM 387 C LYS B 26 -7.442 -8.638 2.731 1.00 0.00 C ATOM 388 O LYS B 26 -7.739 -8.645 1.536 1.00 0.00 O ATOM 389 CB LYS B 26 -8.634 -10.563 3.742 1.00 0.00 C ATOM 390 CG LYS B 26 -9.134 -11.145 5.044 1.00 0.00 C ATOM 391 CD LYS B 26 -10.650 -11.194 5.115 1.00 0.00 C ATOM 392 CE LYS B 26 -11.229 -12.232 4.167 1.00 0.00 C ATOM 393 NZ LYS B 26 -12.475 -12.835 4.709 1.00 0.00 N1+ ATOM 0 H LYS B 26 -10.431 -8.901 3.122 1.00 0.00 H new ATOM 0 HA LYS B 26 -8.076 -8.771 4.767 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -9.336 -10.815 2.947 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -7.683 -11.030 3.486 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -8.735 -12.152 5.165 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -8.754 -10.550 5.874 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.958 -11.422 6.135 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.057 -10.213 4.871 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -11.438 -11.768 3.203 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.492 -13.015 3.991 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.042 -13.221 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.231 -13.600 5.370 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.024 -12.107 5.209 1.00 0.00 H new ATOM 407 N LEU B 27 -6.259 -8.283 3.186 1.00 0.00 N ATOM 408 CA LEU B 27 -5.189 -7.886 2.329 1.00 0.00 C ATOM 409 C LEU B 27 -3.866 -8.266 2.997 1.00 0.00 C ATOM 410 O LEU B 27 -3.328 -7.525 3.818 1.00 0.00 O ATOM 411 CB LEU B 27 -5.286 -6.385 2.075 1.00 0.00 C ATOM 412 CG LEU B 27 -4.056 -5.775 1.449 1.00 0.00 C ATOM 413 CD1 LEU B 27 -3.860 -6.284 0.028 1.00 0.00 C ATOM 414 CD2 LEU B 27 -4.125 -4.257 1.483 1.00 0.00 C ATOM 0 H LEU B 27 -6.022 -8.266 4.178 1.00 0.00 H new ATOM 0 HA LEU B 27 -5.246 -8.392 1.365 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -6.141 -6.194 1.427 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -5.484 -5.881 3.021 1.00 0.00 H new ATOM 0 HG LEU B 27 -3.191 -6.083 2.036 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -2.967 -5.830 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.745 -7.368 0.042 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.728 -6.020 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -3.227 -3.842 1.026 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -5.002 -3.920 0.931 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -4.195 -3.919 2.517 1.00 0.00 H new ATOM 426 N SER B 28 -3.376 -9.450 2.667 1.00 0.00 N ATOM 427 CA SER B 28 -2.183 -9.998 3.295 1.00 0.00 C ATOM 428 C SER B 28 -0.924 -9.562 2.550 1.00 0.00 C ATOM 429 O SER B 28 -0.663 -10.029 1.442 1.00 0.00 O ATOM 430 CB SER B 28 -2.274 -11.524 3.319 1.00 0.00 C ATOM 431 OG SER B 28 -3.477 -11.954 3.940 1.00 0.00 O ATOM 0 H SER B 28 -3.791 -10.056 1.960 1.00 0.00 H new ATOM 0 HA SER B 28 -2.121 -9.619 4.315 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.228 -11.910 2.301 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.418 -11.934 3.854 1.00 0.00 H new ATOM 0 HG SER B 28 -3.512 -12.933 3.941 1.00 0.00 H new ATOM 437 N LEU B 29 -0.156 -8.661 3.153 1.00 0.00 N ATOM 438 CA LEU B 29 1.073 -8.179 2.537 1.00 0.00 C ATOM 439 C LEU B 29 2.267 -9.028 2.936 1.00 0.00 C ATOM 440 O LEU B 29 2.232 -9.778 3.914 1.00 0.00 O ATOM 441 CB LEU B 29 1.372 -6.724 2.920 1.00 0.00 C ATOM 442 CG LEU B 29 0.545 -5.645 2.214 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.907 -5.708 2.639 1.00 0.00 C ATOM 444 CD2 LEU B 29 1.122 -4.267 2.499 1.00 0.00 C ATOM 0 H LEU B 29 -0.362 -8.252 4.064 1.00 0.00 H new ATOM 0 HA LEU B 29 0.915 -8.246 1.461 1.00 0.00 H new ATOM 0 HB2 LEU B 29 1.225 -6.617 3.995 1.00 0.00 H new ATOM 0 HB3 LEU B 29 2.426 -6.529 2.722 1.00 0.00 H new ATOM 0 HG LEU B 29 0.591 -5.830 1.141 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.471 -4.931 2.123 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.318 -6.685 2.385 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -0.978 -5.553 3.716 1.00 0.00 H new ATOM 0 HD21 LEU B 29 0.524 -3.510 1.991 1.00 0.00 H new ATOM 0 HD22 LEU B 29 1.106 -4.081 3.573 1.00 0.00 H new ATOM 0 HD23 LEU B 29 2.149 -4.221 2.138 1.00 0.00 H new ATOM 456 N SER B 30 3.317 -8.882 2.157 1.00 0.00 N ATOM 457 CA SER B 30 4.597 -9.485 2.415 1.00 0.00 C ATOM 458 C SER B 30 5.670 -8.671 1.712 1.00 0.00 C ATOM 459 O SER B 30 5.435 -8.135 0.622 1.00 0.00 O ATOM 460 CB SER B 30 4.618 -10.921 1.922 1.00 0.00 C ATOM 461 OG SER B 30 3.829 -11.071 0.751 1.00 0.00 O ATOM 0 H SER B 30 3.298 -8.324 1.304 1.00 0.00 H new ATOM 0 HA SER B 30 4.786 -9.495 3.489 1.00 0.00 H new ATOM 0 HB2 SER B 30 5.645 -11.222 1.714 1.00 0.00 H new ATOM 0 HB3 SER B 30 4.244 -11.583 2.703 1.00 0.00 H new ATOM 0 HG SER B 30 3.729 -12.024 0.544 1.00 0.00 H new ATOM 467 N MET B 31 6.828 -8.567 2.325 1.00 0.00 N ATOM 468 CA MET B 31 7.876 -7.704 1.814 1.00 0.00 C ATOM 469 C MET B 31 8.999 -8.512 1.194 1.00 0.00 C ATOM 470 O MET B 31 9.381 -9.565 1.709 1.00 0.00 O ATOM 471 CB MET B 31 8.446 -6.837 2.935 1.00 0.00 C ATOM 472 CG MET B 31 7.400 -6.308 3.904 1.00 0.00 C ATOM 473 SD MET B 31 6.910 -7.518 5.156 1.00 0.00 S ATOM 474 CE MET B 31 8.494 -7.934 5.889 1.00 0.00 C ATOM 0 H MET B 31 7.071 -9.069 3.179 1.00 0.00 H new ATOM 0 HA MET B 31 7.433 -7.069 1.047 1.00 0.00 H new ATOM 0 HB2 MET B 31 9.180 -7.419 3.492 1.00 0.00 H new ATOM 0 HB3 MET B 31 8.976 -5.993 2.493 1.00 0.00 H new ATOM 0 HG2 MET B 31 7.790 -5.420 4.400 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.518 -5.998 3.343 1.00 0.00 H new ATOM 0 HE1 MET B 31 8.370 -8.085 6.961 1.00 0.00 H new ATOM 0 HE2 MET B 31 8.876 -8.849 5.436 1.00 0.00 H new ATOM 0 HE3 MET B 31 9.200 -7.122 5.716 1.00 0.00 H new ATOM 484 N ASN B 32 9.511 -8.028 0.074 1.00 0.00 N ATOM 485 CA ASN B 32 10.717 -8.588 -0.511 1.00 0.00 C ATOM 486 C ASN B 32 11.558 -7.465 -1.093 1.00 0.00 C ATOM 487 O ASN B 32 11.894 -7.494 -2.277 1.00 0.00 O ATOM 488 CB ASN B 32 10.357 -9.566 -1.627 1.00 0.00 C ATOM 489 CG ASN B 32 11.447 -10.588 -1.894 1.00 0.00 C ATOM 490 OD1 ASN B 32 11.427 -11.689 -1.346 1.00 0.00 O ATOM 491 ND2 ASN B 32 12.402 -10.233 -2.736 1.00 0.00 N ATOM 0 H ASN B 32 9.110 -7.249 -0.448 1.00 0.00 H new ATOM 0 HA ASN B 32 11.275 -9.115 0.263 1.00 0.00 H new ATOM 0 HB2 ASN B 32 9.436 -10.086 -1.364 1.00 0.00 H new ATOM 0 HB3 ASN B 32 10.158 -9.008 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN B 32 13.159 -10.882 -2.952 1.00 0.00 H new ATOM 0 HD22 ASN B 32 12.382 -9.310 -3.170 1.00 0.00 H new ATOM 498 N GLY B 33 11.915 -6.501 -0.244 1.00 0.00 N ATOM 499 CA GLY B 33 12.645 -5.318 -0.686 1.00 0.00 C ATOM 500 C GLY B 33 12.078 -4.709 -1.952 1.00 0.00 C ATOM 501 O GLY B 33 11.119 -3.943 -1.909 1.00 0.00 O ATOM 0 H GLY B 33 11.709 -6.519 0.755 1.00 0.00 H new ATOM 0 HA2 GLY B 33 12.630 -4.571 0.108 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.689 -5.584 -0.854 1.00 0.00 H new ATOM 505 N ASN B 34 12.658 -5.094 -3.080 1.00 0.00 N ATOM 506 CA ASN B 34 12.272 -4.577 -4.378 1.00 0.00 C ATOM 507 C ASN B 34 11.024 -5.265 -4.924 1.00 0.00 C ATOM 508 O ASN B 34 10.711 -5.119 -6.102 1.00 0.00 O ATOM 509 CB ASN B 34 13.426 -4.721 -5.375 1.00 0.00 C ATOM 510 CG ASN B 34 13.998 -6.125 -5.410 1.00 0.00 C ATOM 511 OD1 ASN B 34 15.002 -6.372 -4.582 1.00 0.00 O flip ATOM 512 ND2 ASN B 34 13.548 -6.980 -6.174 1.00 0.00 N flip ATOM 0 H ASN B 34 13.414 -5.778 -3.117 1.00 0.00 H new ATOM 0 HA ASN B 34 12.036 -3.521 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.076 -4.451 -6.371 1.00 0.00 H new ATOM 0 HB3 ASN B 34 14.216 -4.018 -5.113 1.00 0.00 H new ATOM 0 HD21 ASN B 34 12.774 -6.751 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN B 34 13.950 -7.917 -6.184 1.00 0.00 H new ATOM 519 N GLN B 35 10.336 -6.052 -4.096 1.00 0.00 N ATOM 520 CA GLN B 35 8.991 -6.484 -4.423 1.00 0.00 C ATOM 521 C GLN B 35 8.072 -6.298 -3.239 1.00 0.00 C ATOM 522 O GLN B 35 8.481 -6.427 -2.082 1.00 0.00 O ATOM 523 CB GLN B 35 8.940 -7.942 -4.857 1.00 0.00 C ATOM 524 CG GLN B 35 9.830 -8.252 -6.037 1.00 0.00 C ATOM 525 CD GLN B 35 9.601 -9.642 -6.599 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.231 -10.582 -5.741 1.00 0.00 O flip ATOM 527 NE2 GLN B 35 9.759 -9.871 -7.798 1.00 0.00 N flip ATOM 0 H GLN B 35 10.690 -6.397 -3.204 1.00 0.00 H new ATOM 0 HA GLN B 35 8.662 -5.865 -5.258 1.00 0.00 H new ATOM 0 HB2 GLN B 35 9.231 -8.573 -4.017 1.00 0.00 H new ATOM 0 HB3 GLN B 35 7.912 -8.202 -5.110 1.00 0.00 H new ATOM 0 HG2 GLN B 35 9.655 -7.515 -6.821 1.00 0.00 H new ATOM 0 HG3 GLN B 35 10.873 -8.155 -5.735 1.00 0.00 H new ATOM 0 HE21 GLN B 35 10.045 -9.121 -8.427 1.00 0.00 H new ATOM 0 HE22 GLN B 35 9.604 -10.811 -8.162 1.00 0.00 H new ATOM 536 N LEU B 36 6.830 -6.012 -3.545 1.00 0.00 N ATOM 537 CA LEU B 36 5.793 -5.910 -2.538 1.00 0.00 C ATOM 538 C LEU B 36 4.653 -6.806 -2.967 1.00 0.00 C ATOM 539 O LEU B 36 4.038 -6.598 -4.014 1.00 0.00 O ATOM 540 CB LEU B 36 5.316 -4.462 -2.367 1.00 0.00 C ATOM 541 CG LEU B 36 4.673 -4.114 -1.009 1.00 0.00 C ATOM 542 CD1 LEU B 36 3.361 -4.862 -0.798 1.00 0.00 C ATOM 543 CD2 LEU B 36 5.639 -4.407 0.132 1.00 0.00 C ATOM 0 H LEU B 36 6.506 -5.843 -4.497 1.00 0.00 H new ATOM 0 HA LEU B 36 6.183 -6.224 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU B 36 6.168 -3.800 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.594 -4.244 -3.154 1.00 0.00 H new ATOM 0 HG LEU B 36 4.449 -3.047 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.939 -4.590 0.170 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.659 -4.595 -1.588 1.00 0.00 H new ATOM 0 HD13 LEU B 36 3.546 -5.936 -0.824 1.00 0.00 H new ATOM 0 HD21 LEU B 36 5.167 -4.155 1.082 1.00 0.00 H new ATOM 0 HD22 LEU B 36 5.899 -5.465 0.126 1.00 0.00 H new ATOM 0 HD23 LEU B 36 6.543 -3.810 0.006 1.00 0.00 H new ATOM 555 N LYS B 37 4.395 -7.817 -2.172 1.00 0.00 N ATOM 556 CA LYS B 37 3.447 -8.842 -2.543 1.00 0.00 C ATOM 557 C LYS B 37 2.290 -8.840 -1.569 1.00 0.00 C ATOM 558 O LYS B 37 2.491 -8.694 -0.366 1.00 0.00 O ATOM 559 CB LYS B 37 4.135 -10.205 -2.541 1.00 0.00 C ATOM 560 CG LYS B 37 5.613 -10.134 -2.916 1.00 0.00 C ATOM 561 CD LYS B 37 6.279 -11.497 -2.901 1.00 0.00 C ATOM 562 CE LYS B 37 6.308 -12.094 -1.503 1.00 0.00 C ATOM 563 NZ LYS B 37 6.970 -13.425 -1.478 1.00 0.00 N1+ ATOM 0 H LYS B 37 4.830 -7.953 -1.260 1.00 0.00 H new ATOM 0 HA LYS B 37 3.067 -8.640 -3.545 1.00 0.00 H new ATOM 0 HB2 LYS B 37 4.039 -10.652 -1.551 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.621 -10.865 -3.240 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.713 -9.695 -3.909 1.00 0.00 H new ATOM 0 HG3 LYS B 37 6.130 -9.472 -2.221 1.00 0.00 H new ATOM 0 HD2 LYS B 37 5.746 -12.170 -3.573 1.00 0.00 H new ATOM 0 HD3 LYS B 37 7.297 -11.409 -3.280 1.00 0.00 H new ATOM 0 HE2 LYS B 37 6.833 -11.416 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS B 37 5.289 -12.189 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 6.968 -13.796 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 6.455 -14.081 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 7.951 -13.331 -1.811 1.00 0.00 H new ATOM 577 N ALA B 38 1.091 -8.997 -2.086 1.00 0.00 N ATOM 578 CA ALA B 38 -0.099 -8.960 -1.260 1.00 0.00 C ATOM 579 C ALA B 38 -1.265 -9.657 -1.933 1.00 0.00 C ATOM 580 O ALA B 38 -1.485 -9.512 -3.139 1.00 0.00 O ATOM 581 CB ALA B 38 -0.478 -7.527 -0.929 1.00 0.00 C ATOM 0 H ALA B 38 0.913 -9.152 -3.078 1.00 0.00 H new ATOM 0 HA ALA B 38 0.130 -9.492 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.374 -7.522 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.340 -7.050 -0.390 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -0.673 -6.980 -1.851 1.00 0.00 H new ATOM 587 N THR B 39 -2.013 -10.402 -1.145 1.00 0.00 N ATOM 588 CA THR B 39 -3.200 -11.070 -1.626 1.00 0.00 C ATOM 589 C THR B 39 -4.422 -10.510 -0.919 1.00 0.00 C ATOM 590 O THR B 39 -4.394 -10.274 0.288 1.00 0.00 O ATOM 591 CB THR B 39 -3.122 -12.587 -1.400 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.659 -12.865 -0.068 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.199 -13.245 -2.414 1.00 0.00 C ATOM 0 H THR B 39 -1.814 -10.560 -0.157 1.00 0.00 H new ATOM 0 HA THR B 39 -3.277 -10.892 -2.699 1.00 0.00 H new ATOM 0 HB THR B 39 -4.123 -12.999 -1.529 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.614 -13.835 0.067 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.163 -14.319 -2.230 1.00 0.00 H new ATOM 0 HG22 THR B 39 -2.575 -13.062 -3.421 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.197 -12.827 -2.319 1.00 0.00 H new ATOM 601 N SER B 40 -5.485 -10.301 -1.662 1.00 0.00 N ATOM 602 CA SER B 40 -6.663 -9.659 -1.115 1.00 0.00 C ATOM 603 C SER B 40 -7.897 -10.526 -1.279 1.00 0.00 C ATOM 604 O SER B 40 -8.056 -11.227 -2.281 1.00 0.00 O ATOM 605 CB SER B 40 -6.874 -8.300 -1.779 1.00 0.00 C ATOM 606 OG SER B 40 -6.716 -8.391 -3.186 1.00 0.00 O ATOM 0 H SER B 40 -5.560 -10.565 -2.644 1.00 0.00 H new ATOM 0 HA SER B 40 -6.502 -9.514 -0.047 1.00 0.00 H new ATOM 0 HB2 SER B 40 -7.871 -7.928 -1.545 1.00 0.00 H new ATOM 0 HB3 SER B 40 -6.162 -7.580 -1.375 1.00 0.00 H new ATOM 0 HG SER B 40 -7.043 -9.261 -3.496 1.00 0.00 H new ATOM 612 N SER B 41 -8.754 -10.500 -0.277 1.00 0.00 N ATOM 613 CA SER B 41 -10.020 -11.195 -0.345 1.00 0.00 C ATOM 614 C SER B 41 -11.156 -10.195 -0.244 1.00 0.00 C ATOM 615 O SER B 41 -11.084 -9.219 0.509 1.00 0.00 O ATOM 616 CB SER B 41 -10.122 -12.239 0.754 1.00 0.00 C ATOM 617 OG SER B 41 -8.893 -12.930 0.916 1.00 0.00 O ATOM 0 H SER B 41 -8.593 -10.001 0.598 1.00 0.00 H new ATOM 0 HA SER B 41 -10.088 -11.713 -1.302 1.00 0.00 H new ATOM 0 HB2 SER B 41 -10.399 -11.758 1.692 1.00 0.00 H new ATOM 0 HB3 SER B 41 -10.913 -12.949 0.514 1.00 0.00 H new ATOM 0 HG SER B 41 -8.983 -13.595 1.630 1.00 0.00 H new ATOM 623 N ASN B 42 -12.214 -10.472 -0.973 1.00 0.00 N ATOM 624 CA ASN B 42 -13.280 -9.513 -1.183 1.00 0.00 C ATOM 625 C ASN B 42 -14.446 -9.793 -0.258 1.00 0.00 C ATOM 626 O ASN B 42 -15.605 -9.772 -0.669 1.00 0.00 O ATOM 627 CB ASN B 42 -13.745 -9.518 -2.641 1.00 0.00 C ATOM 628 CG ASN B 42 -12.734 -8.886 -3.580 1.00 0.00 C ATOM 629 OD1 ASN B 42 -12.741 -7.670 -3.788 1.00 0.00 O ATOM 630 ND2 ASN B 42 -11.865 -9.700 -4.160 1.00 0.00 N ATOM 0 H ASN B 42 -12.361 -11.368 -1.438 1.00 0.00 H new ATOM 0 HA ASN B 42 -12.886 -8.523 -0.953 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -13.934 -10.545 -2.954 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -14.691 -8.982 -2.718 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -11.169 -9.327 -4.805 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -11.892 -10.700 -3.962 1.00 0.00 H new ATOM 637 N ALA B 43 -14.120 -10.069 0.996 1.00 0.00 N ATOM 638 CA ALA B 43 -15.135 -10.276 2.023 1.00 0.00 C ATOM 639 C ALA B 43 -16.031 -9.057 2.160 1.00 0.00 C ATOM 640 O ALA B 43 -17.218 -9.167 2.466 1.00 0.00 O ATOM 641 CB ALA B 43 -14.486 -10.599 3.356 1.00 0.00 C ATOM 0 H ALA B 43 -13.160 -10.155 1.329 1.00 0.00 H new ATOM 0 HA ALA B 43 -15.752 -11.121 1.717 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -15.259 -10.750 4.110 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -13.890 -11.507 3.260 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -13.842 -9.773 3.657 1.00 0.00 H new ATOM 647 N GLY B 44 -15.448 -7.902 1.922 1.00 0.00 N ATOM 648 CA GLY B 44 -16.193 -6.664 1.968 1.00 0.00 C ATOM 649 C GLY B 44 -15.432 -5.541 2.585 1.00 0.00 C ATOM 650 O GLY B 44 -15.801 -5.005 3.628 1.00 0.00 O ATOM 0 H GLY B 44 -14.459 -7.795 1.695 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -16.482 -6.384 0.955 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -17.113 -6.822 2.530 1.00 0.00 H new ATOM 654 N TYR B 45 -14.356 -5.183 1.926 1.00 0.00 N ATOM 655 CA TYR B 45 -13.747 -3.906 2.151 1.00 0.00 C ATOM 656 C TYR B 45 -14.705 -2.855 1.587 1.00 0.00 C ATOM 657 O TYR B 45 -15.457 -3.144 0.661 1.00 0.00 O ATOM 658 CB TYR B 45 -12.378 -3.848 1.456 1.00 0.00 C ATOM 659 CG TYR B 45 -11.694 -2.514 1.563 1.00 0.00 C ATOM 660 CD1 TYR B 45 -12.245 -1.415 0.953 1.00 0.00 C ATOM 661 CD2 TYR B 45 -10.527 -2.351 2.284 1.00 0.00 C ATOM 662 CE1 TYR B 45 -11.677 -0.182 1.041 1.00 0.00 C ATOM 663 CE2 TYR B 45 -9.932 -1.113 2.386 1.00 0.00 C ATOM 664 CZ TYR B 45 -10.511 -0.025 1.764 1.00 0.00 C ATOM 665 OH TYR B 45 -9.927 1.212 1.864 1.00 0.00 O ATOM 0 H TYR B 45 -13.888 -5.763 1.230 1.00 0.00 H new ATOM 0 HA TYR B 45 -13.573 -3.725 3.212 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -11.731 -4.612 1.887 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -12.506 -4.096 0.402 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -13.157 -1.533 0.386 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -10.077 -3.203 2.772 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -12.133 0.665 0.551 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -9.018 -0.994 2.949 1.00 0.00 H new ATOM 0 HH TYR B 45 -9.292 1.334 1.128 1.00 0.00 H new ATOM 675 N GLY B 46 -14.674 -1.649 2.120 1.00 0.00 N ATOM 676 CA GLY B 46 -15.593 -0.634 1.672 1.00 0.00 C ATOM 677 C GLY B 46 -16.663 -0.396 2.705 1.00 0.00 C ATOM 678 O GLY B 46 -17.857 -0.514 2.433 1.00 0.00 O ATOM 0 H GLY B 46 -14.030 -1.355 2.854 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -15.054 0.293 1.479 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -16.050 -0.939 0.731 1.00 0.00 H new ATOM 682 N ILE B 47 -16.209 -0.050 3.899 1.00 0.00 N ATOM 683 CA ILE B 47 -17.073 0.052 5.064 1.00 0.00 C ATOM 684 C ILE B 47 -17.834 1.362 5.041 1.00 0.00 C ATOM 685 O ILE B 47 -19.047 1.396 4.832 1.00 0.00 O ATOM 686 CB ILE B 47 -16.248 0.002 6.368 1.00 0.00 C ATOM 687 CG1 ILE B 47 -15.075 -0.975 6.237 1.00 0.00 C ATOM 688 CG2 ILE B 47 -17.133 -0.377 7.545 1.00 0.00 C ATOM 689 CD1 ILE B 47 -15.487 -2.420 6.048 1.00 0.00 C ATOM 0 H ILE B 47 -15.231 0.168 4.088 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.765 -0.790 5.033 1.00 0.00 H new ATOM 0 HB ILE B 47 -15.840 0.996 6.550 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -14.457 -0.672 5.392 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -14.453 -0.900 7.129 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -16.534 -0.407 8.455 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -17.926 0.362 7.657 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -17.574 -1.358 7.368 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -14.597 -3.044 5.964 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -16.078 -2.745 6.904 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -16.082 -2.513 5.140 1.00 0.00 H new ATOM 701 N SER B 48 -17.102 2.438 5.253 1.00 0.00 N ATOM 702 CA SER B 48 -17.676 3.771 5.258 1.00 0.00 C ATOM 703 C SER B 48 -16.624 4.800 4.847 1.00 0.00 C ATOM 704 O SER B 48 -16.251 4.866 3.675 1.00 0.00 O ATOM 705 CB SER B 48 -18.243 4.094 6.643 1.00 0.00 C ATOM 706 OG SER B 48 -19.290 3.200 6.990 1.00 0.00 O ATOM 0 H SER B 48 -16.097 2.415 5.426 1.00 0.00 H new ATOM 0 HA SER B 48 -18.491 3.810 4.536 1.00 0.00 H new ATOM 0 HB2 SER B 48 -17.449 4.034 7.387 1.00 0.00 H new ATOM 0 HB3 SER B 48 -18.616 5.118 6.656 1.00 0.00 H new ATOM 0 HG SER B 48 -19.633 3.427 7.879 1.00 0.00 H new ATOM 712 N TYR B 49 -16.134 5.572 5.822 1.00 0.00 N ATOM 713 CA TYR B 49 -15.077 6.562 5.603 1.00 0.00 C ATOM 714 C TYR B 49 -15.474 7.606 4.570 1.00 0.00 C ATOM 715 O TYR B 49 -14.613 8.293 4.026 1.00 0.00 O ATOM 716 CB TYR B 49 -13.802 5.874 5.144 1.00 0.00 C ATOM 717 CG TYR B 49 -13.328 4.771 6.062 1.00 0.00 C ATOM 718 CD1 TYR B 49 -12.726 5.058 7.279 1.00 0.00 C ATOM 719 CD2 TYR B 49 -13.492 3.438 5.708 1.00 0.00 C ATOM 720 CE1 TYR B 49 -12.298 4.046 8.116 1.00 0.00 C ATOM 721 CE2 TYR B 49 -13.067 2.423 6.538 1.00 0.00 C ATOM 722 CZ TYR B 49 -12.473 2.731 7.740 1.00 0.00 C ATOM 723 OH TYR B 49 -12.053 1.719 8.568 1.00 0.00 O ATOM 0 H TYR B 49 -16.461 5.527 6.787 1.00 0.00 H new ATOM 0 HA TYR B 49 -14.913 7.068 6.554 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -13.964 5.459 4.149 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -13.013 6.620 5.053 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -12.590 6.087 7.576 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -13.961 3.193 4.766 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -11.829 4.283 9.059 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -13.200 1.392 6.246 1.00 0.00 H new ATOM 0 HH TYR B 49 -12.252 0.853 8.154 1.00 0.00 H new ATOM 733 N GLU B 50 -16.773 7.743 4.352 1.00 0.00 N ATOM 734 CA GLU B 50 -17.318 8.558 3.277 1.00 0.00 C ATOM 735 C GLU B 50 -16.589 8.274 1.970 1.00 0.00 C ATOM 736 O GLU B 50 -16.918 7.327 1.256 1.00 0.00 O ATOM 737 CB GLU B 50 -17.217 10.030 3.638 1.00 0.00 C ATOM 738 CG GLU B 50 -18.015 10.417 4.863 1.00 0.00 C ATOM 739 CD GLU B 50 -17.914 11.895 5.172 1.00 0.00 C ATOM 740 OE1 GLU B 50 -16.782 12.402 5.324 1.00 0.00 O ATOM 741 OE2 GLU B 50 -18.965 12.558 5.282 1.00 0.00 O1- ATOM 0 H GLU B 50 -17.485 7.287 4.922 1.00 0.00 H new ATOM 0 HA GLU B 50 -18.369 8.304 3.142 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.170 10.282 3.804 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -17.558 10.626 2.791 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -19.061 10.151 4.711 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.661 9.844 5.720 1.00 0.00 H new ATOM 748 N ASP B 51 -15.591 9.098 1.683 1.00 0.00 N ATOM 749 CA ASP B 51 -14.655 8.855 0.598 1.00 0.00 C ATOM 750 C ASP B 51 -13.314 9.459 0.982 1.00 0.00 C ATOM 751 O ASP B 51 -13.174 10.679 1.044 1.00 0.00 O ATOM 752 CB ASP B 51 -15.109 9.489 -0.724 1.00 0.00 C ATOM 753 CG ASP B 51 -16.499 9.076 -1.174 1.00 0.00 C ATOM 754 OD1 ASP B 51 -16.623 8.051 -1.877 1.00 0.00 O ATOM 755 OD2 ASP B 51 -17.471 9.794 -0.854 1.00 0.00 O1- ATOM 0 H ASP B 51 -15.408 9.958 2.200 1.00 0.00 H new ATOM 0 HA ASP B 51 -14.592 7.778 0.446 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -15.081 10.574 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -14.395 9.225 -1.504 1.00 0.00 H new ATOM 760 N LYS B 52 -12.331 8.620 1.243 1.00 0.00 N ATOM 761 CA LYS B 52 -10.998 9.103 1.579 1.00 0.00 C ATOM 762 C LYS B 52 -10.004 8.558 0.577 1.00 0.00 C ATOM 763 O LYS B 52 -9.891 7.352 0.409 1.00 0.00 O ATOM 764 CB LYS B 52 -10.563 8.665 2.977 1.00 0.00 C ATOM 765 CG LYS B 52 -11.600 8.876 4.073 1.00 0.00 C ATOM 766 CD LYS B 52 -11.913 10.347 4.293 1.00 0.00 C ATOM 767 CE LYS B 52 -12.883 10.535 5.451 1.00 0.00 C ATOM 768 NZ LYS B 52 -13.250 11.963 5.641 1.00 0.00 N1+ ATOM 0 H LYS B 52 -12.425 7.604 1.230 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.028 10.192 1.555 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -10.302 7.607 2.944 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.657 9.209 3.246 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -12.516 8.347 3.811 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.236 8.441 5.004 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -10.991 10.892 4.495 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -12.341 10.771 3.384 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -13.784 9.950 5.268 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -12.434 10.151 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -13.912 12.048 6.439 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -12.393 12.518 5.841 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -13.702 12.323 4.776 1.00 0.00 H new ATOM 782 N ASN B 53 -9.295 9.436 -0.092 1.00 0.00 N ATOM 783 CA ASN B 53 -8.335 9.020 -1.090 1.00 0.00 C ATOM 784 C ASN B 53 -6.921 9.352 -0.655 1.00 0.00 C ATOM 785 O ASN B 53 -6.629 10.470 -0.225 1.00 0.00 O ATOM 786 CB ASN B 53 -8.638 9.667 -2.447 1.00 0.00 C ATOM 787 CG ASN B 53 -8.824 11.174 -2.377 1.00 0.00 C ATOM 788 OD1 ASN B 53 -9.327 11.721 -1.394 1.00 0.00 O ATOM 789 ND2 ASN B 53 -8.435 11.861 -3.431 1.00 0.00 N ATOM 0 H ASN B 53 -9.364 10.446 0.036 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.418 7.938 -1.197 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.825 9.442 -3.137 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -9.541 9.217 -2.861 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -8.547 12.875 -3.449 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -8.022 11.379 -4.230 1.00 0.00 H new ATOM 796 N TRP B 54 -6.050 8.368 -0.748 1.00 0.00 N ATOM 797 CA TRP B 54 -4.654 8.559 -0.443 1.00 0.00 C ATOM 798 C TRP B 54 -3.801 7.778 -1.433 1.00 0.00 C ATOM 799 O TRP B 54 -4.321 6.964 -2.201 1.00 0.00 O ATOM 800 CB TRP B 54 -4.357 8.156 1.003 1.00 0.00 C ATOM 801 CG TRP B 54 -4.611 6.720 1.322 1.00 0.00 C ATOM 802 CD1 TRP B 54 -5.821 6.116 1.493 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.620 5.713 1.542 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.648 4.792 1.797 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.305 4.517 1.832 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.219 5.703 1.515 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.639 3.327 2.096 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.565 4.517 1.778 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.274 3.344 2.065 1.00 0.00 C ATOM 0 H TRP B 54 -6.292 7.420 -1.036 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.405 9.616 -0.540 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.313 8.382 1.220 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -4.962 8.773 1.668 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -6.777 6.610 1.402 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.396 4.120 1.969 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.664 6.603 1.293 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -4.182 2.420 2.318 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.485 4.493 1.762 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.729 2.433 2.266 1.00 0.00 H new ATOM 820 N GLY B 55 -2.508 8.039 -1.430 1.00 0.00 N ATOM 821 CA GLY B 55 -1.641 7.442 -2.415 1.00 0.00 C ATOM 822 C GLY B 55 -0.404 6.826 -1.806 1.00 0.00 C ATOM 823 O GLY B 55 0.120 7.323 -0.808 1.00 0.00 O ATOM 0 H GLY B 55 -2.043 8.654 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.192 6.676 -2.961 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.345 8.200 -3.140 1.00 0.00 H new ATOM 827 N ILE B 56 0.043 5.727 -2.391 1.00 0.00 N ATOM 828 CA ILE B 56 1.316 5.138 -2.032 1.00 0.00 C ATOM 829 C ILE B 56 2.322 5.395 -3.141 1.00 0.00 C ATOM 830 O ILE B 56 1.972 5.371 -4.326 1.00 0.00 O ATOM 831 CB ILE B 56 1.185 3.626 -1.807 1.00 0.00 C ATOM 832 CG1 ILE B 56 0.029 3.343 -0.856 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.483 3.057 -1.247 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.438 1.913 -0.883 1.00 0.00 C ATOM 0 H ILE B 56 -0.463 5.225 -3.121 1.00 0.00 H new ATOM 0 HA ILE B 56 1.654 5.596 -1.102 1.00 0.00 H new ATOM 0 HB ILE B 56 0.983 3.144 -2.763 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.334 3.598 0.159 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -0.807 3.994 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.373 1.984 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.295 3.242 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.711 3.538 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.262 1.786 -0.181 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.775 1.659 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.384 1.256 -0.599 1.00 0.00 H new ATOM 846 N PHE B 57 3.560 5.665 -2.762 1.00 0.00 N ATOM 847 CA PHE B 57 4.578 6.045 -3.727 1.00 0.00 C ATOM 848 C PHE B 57 5.788 5.115 -3.668 1.00 0.00 C ATOM 849 O PHE B 57 6.168 4.669 -2.592 1.00 0.00 O ATOM 850 CB PHE B 57 4.958 7.495 -3.454 1.00 0.00 C ATOM 851 CG PHE B 57 3.733 8.360 -3.449 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.235 8.867 -4.630 1.00 0.00 C ATOM 853 CD2 PHE B 57 3.040 8.600 -2.276 1.00 0.00 C ATOM 854 CE1 PHE B 57 2.071 9.608 -4.645 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.871 9.327 -2.285 1.00 0.00 C ATOM 856 CZ PHE B 57 1.386 9.833 -3.468 1.00 0.00 C ATOM 0 H PHE B 57 3.884 5.628 -1.795 1.00 0.00 H new ATOM 0 HA PHE B 57 4.186 5.952 -4.740 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.469 7.570 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.656 7.845 -4.215 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.762 8.682 -5.554 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.420 8.213 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.697 10.011 -5.575 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.335 9.500 -1.363 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.470 10.406 -3.476 1.00 0.00 H new ATOM 866 N VAL B 58 6.385 4.816 -4.830 1.00 0.00 N ATOM 867 CA VAL B 58 7.527 3.928 -4.887 1.00 0.00 C ATOM 868 C VAL B 58 8.653 4.601 -5.654 1.00 0.00 C ATOM 869 O VAL B 58 8.418 5.235 -6.680 1.00 0.00 O ATOM 870 CB VAL B 58 7.168 2.572 -5.535 1.00 0.00 C ATOM 871 CG1 VAL B 58 6.843 2.730 -7.015 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.293 1.569 -5.330 1.00 0.00 C ATOM 0 H VAL B 58 6.088 5.181 -5.735 1.00 0.00 H new ATOM 0 HA VAL B 58 7.850 3.722 -3.867 1.00 0.00 H new ATOM 0 HB VAL B 58 6.273 2.192 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.595 1.757 -7.439 1.00 0.00 H new ATOM 0 HG12 VAL B 58 5.994 3.403 -7.131 1.00 0.00 H new ATOM 0 HG13 VAL B 58 7.707 3.143 -7.535 1.00 0.00 H new ATOM 0 HG21 VAL B 58 8.023 0.620 -5.793 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.207 1.949 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.457 1.419 -4.263 1.00 0.00 H new ATOM 882 N ASN B 59 9.874 4.478 -5.137 1.00 0.00 N ATOM 883 CA ASN B 59 11.043 5.190 -5.669 1.00 0.00 C ATOM 884 C ASN B 59 10.825 6.693 -5.549 1.00 0.00 C ATOM 885 O ASN B 59 11.574 7.489 -6.111 1.00 0.00 O ATOM 886 CB ASN B 59 11.312 4.846 -7.141 1.00 0.00 C ATOM 887 CG ASN B 59 11.099 3.387 -7.476 1.00 0.00 C ATOM 888 OD1 ASN B 59 11.991 2.554 -7.326 1.00 0.00 O ATOM 889 ND2 ASN B 59 9.906 3.080 -7.960 1.00 0.00 N ATOM 0 H ASN B 59 10.085 3.882 -4.336 1.00 0.00 H new ATOM 0 HA ASN B 59 11.907 4.876 -5.083 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.661 5.452 -7.771 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.338 5.119 -7.387 1.00 0.00 H new ATOM 0 HD21 ASN B 59 9.696 2.118 -8.226 1.00 0.00 H new ATOM 0 HD22 ASN B 59 9.197 3.805 -8.067 1.00 0.00 H new ATOM 896 N GLY B 60 9.789 7.073 -4.813 1.00 0.00 N ATOM 897 CA GLY B 60 9.428 8.464 -4.713 1.00 0.00 C ATOM 898 C GLY B 60 8.376 8.861 -5.735 1.00 0.00 C ATOM 899 O GLY B 60 7.957 10.017 -5.799 1.00 0.00 O ATOM 0 H GLY B 60 9.193 6.436 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.053 8.669 -3.710 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.317 9.079 -4.852 1.00 0.00 H new ATOM 903 N GLU B 61 7.957 7.891 -6.527 1.00 0.00 N ATOM 904 CA GLU B 61 6.969 8.081 -7.574 1.00 0.00 C ATOM 905 C GLU B 61 5.665 7.453 -7.144 1.00 0.00 C ATOM 906 O GLU B 61 5.623 6.838 -6.116 1.00 0.00 O ATOM 907 CB GLU B 61 7.461 7.402 -8.839 1.00 0.00 C ATOM 908 CG GLU B 61 8.351 8.280 -9.698 1.00 0.00 C ATOM 909 CD GLU B 61 9.060 7.500 -10.782 1.00 0.00 C ATOM 910 OE1 GLU B 61 8.447 7.246 -11.840 1.00 0.00 O1- ATOM 911 OE2 GLU B 61 10.239 7.137 -10.584 1.00 0.00 O ATOM 0 H GLU B 61 8.299 6.933 -6.460 1.00 0.00 H new ATOM 0 HA GLU B 61 6.818 9.145 -7.758 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.010 6.501 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.601 7.085 -9.429 1.00 0.00 H new ATOM 0 HG2 GLU B 61 7.749 9.066 -10.155 1.00 0.00 H new ATOM 0 HG3 GLU B 61 9.090 8.772 -9.066 1.00 0.00 H new ATOM 918 N LYS B 62 4.610 7.576 -7.919 1.00 0.00 N ATOM 919 CA LYS B 62 3.361 6.903 -7.577 1.00 0.00 C ATOM 920 C LYS B 62 3.545 5.386 -7.662 1.00 0.00 C ATOM 921 O LYS B 62 4.540 4.904 -8.206 1.00 0.00 O ATOM 922 CB LYS B 62 2.242 7.364 -8.517 1.00 0.00 C ATOM 923 CG LYS B 62 0.864 6.844 -8.141 1.00 0.00 C ATOM 924 CD LYS B 62 0.284 7.619 -6.975 1.00 0.00 C ATOM 925 CE LYS B 62 -0.107 9.027 -7.392 1.00 0.00 C ATOM 926 NZ LYS B 62 -1.254 9.024 -8.339 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.583 8.125 -8.778 1.00 0.00 H new ATOM 0 HA LYS B 62 3.083 7.162 -6.555 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.217 8.454 -8.528 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.477 7.040 -9.531 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.197 6.921 -9.000 1.00 0.00 H new ATOM 0 HG3 LYS B 62 0.930 5.787 -7.882 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.590 7.096 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.014 7.666 -6.167 1.00 0.00 H new ATOM 0 HE2 LYS B 62 -0.367 9.609 -6.508 1.00 0.00 H new ATOM 0 HE3 LYS B 62 0.747 9.519 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -1.696 9.965 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -0.916 8.787 -9.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -1.954 8.318 -8.034 1.00 0.00 H new ATOM 940 N VAL B 63 2.636 4.647 -7.046 1.00 0.00 N ATOM 941 CA VAL B 63 2.539 3.212 -7.269 1.00 0.00 C ATOM 942 C VAL B 63 1.113 2.729 -7.011 1.00 0.00 C ATOM 943 O VAL B 63 0.711 1.665 -7.481 1.00 0.00 O ATOM 944 CB VAL B 63 3.530 2.410 -6.387 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.144 2.467 -4.917 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.633 0.967 -6.861 1.00 0.00 C ATOM 0 H VAL B 63 1.953 5.018 -6.386 1.00 0.00 H new ATOM 0 HA VAL B 63 2.805 3.034 -8.311 1.00 0.00 H new ATOM 0 HB VAL B 63 4.510 2.877 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL B 63 3.861 1.894 -4.330 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.146 3.504 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.148 2.045 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.334 0.425 -6.227 1.00 0.00 H new ATOM 0 HG22 VAL B 63 2.652 0.495 -6.804 1.00 0.00 H new ATOM 0 HG23 VAL B 63 3.986 0.947 -7.892 1.00 0.00 H new ATOM 956 N TYR B 64 0.335 3.537 -6.298 1.00 0.00 N ATOM 957 CA TYR B 64 -0.987 3.109 -5.862 1.00 0.00 C ATOM 958 C TYR B 64 -1.843 4.318 -5.498 1.00 0.00 C ATOM 959 O TYR B 64 -1.437 5.165 -4.705 1.00 0.00 O ATOM 960 CB TYR B 64 -0.825 2.182 -4.657 1.00 0.00 C ATOM 961 CG TYR B 64 -1.970 1.225 -4.379 1.00 0.00 C ATOM 962 CD1 TYR B 64 -3.201 1.351 -5.001 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.805 0.188 -3.465 1.00 0.00 C ATOM 964 CE1 TYR B 64 -4.234 0.475 -4.722 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.833 -0.687 -3.179 1.00 0.00 C ATOM 966 CZ TYR B 64 -4.045 -0.540 -3.810 1.00 0.00 C ATOM 967 OH TYR B 64 -5.076 -1.404 -3.519 1.00 0.00 O ATOM 0 H TYR B 64 0.594 4.481 -6.013 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.489 2.576 -6.669 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.083 1.596 -4.797 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -0.673 2.798 -3.771 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.357 2.146 -5.715 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.853 0.066 -2.970 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -5.187 0.586 -5.218 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -2.686 -1.483 -2.464 1.00 0.00 H new ATOM 0 HH TYR B 64 -5.768 -0.929 -3.012 1.00 0.00 H new ATOM 977 N THR B 65 -3.013 4.389 -6.103 1.00 0.00 N ATOM 978 CA THR B 65 -3.968 5.466 -5.848 1.00 0.00 C ATOM 979 C THR B 65 -5.362 4.876 -5.661 1.00 0.00 C ATOM 980 O THR B 65 -5.823 4.118 -6.514 1.00 0.00 O ATOM 981 CB THR B 65 -4.001 6.464 -7.024 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.665 6.803 -7.416 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.753 7.729 -6.644 1.00 0.00 C ATOM 0 H THR B 65 -3.335 3.704 -6.787 1.00 0.00 H new ATOM 0 HA THR B 65 -3.656 5.994 -4.947 1.00 0.00 H new ATOM 0 HB THR B 65 -4.519 5.988 -7.857 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.539 6.591 -8.365 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.761 8.416 -7.491 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.778 7.475 -6.372 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.260 8.205 -5.796 1.00 0.00 H new ATOM 991 N PHE B 66 -6.034 5.202 -4.554 1.00 0.00 N ATOM 992 CA PHE B 66 -7.313 4.597 -4.254 1.00 0.00 C ATOM 993 C PHE B 66 -8.021 5.281 -3.104 1.00 0.00 C ATOM 994 O PHE B 66 -7.408 5.896 -2.230 1.00 0.00 O ATOM 995 CB PHE B 66 -7.154 3.106 -3.949 1.00 0.00 C ATOM 996 CG PHE B 66 -6.168 2.753 -2.877 1.00 0.00 C ATOM 997 CD1 PHE B 66 -4.828 3.063 -2.996 1.00 0.00 C ATOM 998 CD2 PHE B 66 -6.590 2.044 -1.778 1.00 0.00 C ATOM 999 CE1 PHE B 66 -3.925 2.675 -2.035 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -5.696 1.654 -0.801 1.00 0.00 C ATOM 1001 CZ PHE B 66 -4.357 1.971 -0.930 1.00 0.00 C ATOM 0 H PHE B 66 -5.709 5.877 -3.862 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.930 4.721 -5.144 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -8.128 2.709 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.859 2.598 -4.867 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -4.484 3.618 -3.856 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -7.635 1.789 -1.677 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -2.879 2.921 -2.145 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -6.042 1.103 0.061 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.652 1.669 -0.169 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.327 5.180 -3.167 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.219 5.660 -2.126 1.00 0.00 C ATOM 1013 C ASN B 67 -10.523 4.534 -1.140 1.00 0.00 C ATOM 1014 O ASN B 67 -10.503 3.357 -1.508 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.520 6.156 -2.757 1.00 0.00 C ATOM 1016 CG ASN B 67 -12.383 6.930 -1.787 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -13.179 6.354 -1.047 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -12.233 8.243 -1.791 1.00 0.00 N ATOM 0 H ASN B 67 -9.814 4.755 -3.956 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.738 6.480 -1.592 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.285 6.789 -3.613 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.083 5.303 -3.136 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -12.790 8.822 -1.163 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -11.560 8.678 -2.422 1.00 0.00 H new ATOM 1025 N GLU B 68 -10.850 4.903 0.094 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.049 3.935 1.171 1.00 0.00 C ATOM 1027 C GLU B 68 -12.386 3.213 1.043 1.00 0.00 C ATOM 1028 O GLU B 68 -12.726 2.351 1.855 1.00 0.00 O ATOM 1029 CB GLU B 68 -10.962 4.637 2.527 1.00 0.00 C ATOM 1030 CG GLU B 68 -9.551 5.047 2.917 1.00 0.00 C ATOM 1031 CD GLU B 68 -8.683 3.867 3.309 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -8.807 3.393 4.459 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -7.854 3.420 2.493 1.00 0.00 O ATOM 0 H GLU B 68 -10.984 5.874 0.376 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.260 3.187 1.095 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -11.596 5.524 2.508 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -11.363 3.975 3.295 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.087 5.572 2.083 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -9.599 5.749 3.749 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.173 3.606 0.062 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.399 2.904 -0.244 1.00 0.00 C ATOM 1042 C LYS B 69 -14.310 2.186 -1.588 1.00 0.00 C ATOM 1043 O LYS B 69 -15.197 1.418 -1.953 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.565 3.867 -0.260 1.00 0.00 C ATOM 1045 CG LYS B 69 -16.893 3.151 -0.164 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.039 4.115 0.102 1.00 0.00 C ATOM 1047 CE LYS B 69 -18.250 5.072 -1.063 1.00 0.00 C ATOM 1048 NZ LYS B 69 -18.632 4.356 -2.308 1.00 0.00 N1+ ATOM 0 H LYS B 69 -12.983 4.410 -0.537 1.00 0.00 H new ATOM 0 HA LYS B 69 -14.554 2.157 0.534 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.469 4.566 0.571 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.536 4.456 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.082 2.610 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -16.849 2.410 0.634 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -18.955 3.552 0.281 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -17.833 4.684 1.008 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -19.027 5.791 -0.805 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -17.336 5.639 -1.237 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -18.994 5.039 -3.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -17.799 3.871 -2.699 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -19.371 3.656 -2.093 1.00 0.00 H new ATOM 1062 N SER B 70 -13.230 2.436 -2.311 1.00 0.00 N ATOM 1063 CA SER B 70 -13.072 1.933 -3.674 1.00 0.00 C ATOM 1064 C SER B 70 -12.776 0.432 -3.692 1.00 0.00 C ATOM 1065 O SER B 70 -12.662 -0.187 -4.751 1.00 0.00 O ATOM 1066 CB SER B 70 -11.970 2.735 -4.366 1.00 0.00 C ATOM 1067 OG SER B 70 -11.277 1.980 -5.342 1.00 0.00 O ATOM 0 H SER B 70 -12.441 2.989 -1.976 1.00 0.00 H new ATOM 0 HA SER B 70 -14.008 2.063 -4.217 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.408 3.615 -4.837 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.262 3.092 -3.618 1.00 0.00 H new ATOM 0 HG SER B 70 -11.835 1.227 -5.630 1.00 0.00 H new ATOM 1073 N THR B 71 -12.642 -0.118 -2.493 1.00 0.00 N ATOM 1074 CA THR B 71 -12.484 -1.541 -2.248 1.00 0.00 C ATOM 1075 C THR B 71 -11.172 -2.068 -2.836 1.00 0.00 C ATOM 1076 O THR B 71 -11.063 -2.366 -4.026 1.00 0.00 O ATOM 1077 CB THR B 71 -13.713 -2.353 -2.727 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.727 -2.502 -4.151 1.00 0.00 O ATOM 1079 CG2 THR B 71 -15.008 -1.684 -2.289 1.00 0.00 C ATOM 0 H THR B 71 -12.641 0.435 -1.636 1.00 0.00 H new ATOM 0 HA THR B 71 -12.427 -1.680 -1.168 1.00 0.00 H new ATOM 0 HB THR B 71 -13.636 -3.340 -2.271 1.00 0.00 H new ATOM 0 HG1 THR B 71 -13.031 -1.937 -4.546 1.00 0.00 H new ATOM 0 HG21 THR B 71 -15.857 -2.272 -2.637 1.00 0.00 H new ATOM 0 HG22 THR B 71 -15.034 -1.618 -1.201 1.00 0.00 H new ATOM 0 HG23 THR B 71 -15.062 -0.682 -2.715 1.00 0.00 H new ATOM 1087 N VAL B 72 -10.173 -2.186 -1.964 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.800 -2.449 -2.383 1.00 0.00 C ATOM 1089 C VAL B 72 -8.631 -3.831 -3.006 1.00 0.00 C ATOM 1090 O VAL B 72 -7.603 -4.107 -3.613 1.00 0.00 O ATOM 1091 CB VAL B 72 -7.806 -2.299 -1.209 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -8.012 -0.973 -0.501 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.933 -3.461 -0.238 1.00 0.00 C ATOM 0 H VAL B 72 -10.292 -2.103 -0.954 1.00 0.00 H new ATOM 0 HA VAL B 72 -8.577 -1.700 -3.143 1.00 0.00 H new ATOM 0 HB VAL B 72 -6.794 -2.313 -1.615 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -7.303 -0.886 0.322 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -7.853 -0.156 -1.205 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -9.029 -0.923 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -7.223 -3.332 0.579 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.946 -3.491 0.163 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -7.721 -4.395 -0.759 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.633 -4.692 -2.866 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.551 -6.017 -3.452 1.00 0.00 C ATOM 1105 C GLY B 73 -9.392 -5.961 -4.959 1.00 0.00 C ATOM 1106 O GLY B 73 -8.597 -6.700 -5.541 1.00 0.00 O ATOM 0 H GLY B 73 -10.497 -4.498 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.708 -6.554 -3.018 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -10.450 -6.580 -3.203 1.00 0.00 H new ATOM 1110 N ASN B 74 -10.132 -5.058 -5.588 1.00 0.00 N ATOM 1111 CA ASN B 74 -10.073 -4.899 -7.036 1.00 0.00 C ATOM 1112 C ASN B 74 -8.896 -4.022 -7.428 1.00 0.00 C ATOM 1113 O ASN B 74 -8.305 -4.187 -8.496 1.00 0.00 O ATOM 1114 CB ASN B 74 -11.371 -4.285 -7.571 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.575 -5.147 -7.327 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.491 -6.375 -7.295 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.708 -4.502 -7.142 1.00 0.00 N ATOM 0 H ASN B 74 -10.780 -4.425 -5.119 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.945 -5.888 -7.475 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.526 -3.313 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -11.268 -4.109 -8.642 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -14.567 -5.022 -6.963 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -13.726 -3.483 -7.178 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.548 -3.092 -6.553 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.482 -2.145 -6.850 1.00 0.00 C ATOM 1126 C ILE B 75 -6.119 -2.813 -6.723 1.00 0.00 C ATOM 1127 O ILE B 75 -5.305 -2.773 -7.644 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.494 -0.922 -5.917 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.898 -0.615 -5.396 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.943 0.280 -6.668 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.899 0.419 -4.311 1.00 0.00 C ATOM 0 H ILE B 75 -8.983 -2.972 -5.638 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.659 -1.809 -7.872 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.870 -1.145 -5.052 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -9.520 -0.270 -6.222 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -9.350 -1.532 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.948 1.152 -6.013 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.922 0.072 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -7.564 0.479 -7.542 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.922 0.597 -3.979 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -8.301 0.065 -3.471 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -8.475 1.347 -4.693 1.00 0.00 H new ATOM 1143 N SER B 76 -5.890 -3.427 -5.568 1.00 0.00 N ATOM 1144 CA SER B 76 -4.629 -4.109 -5.275 1.00 0.00 C ATOM 1145 C SER B 76 -4.366 -5.200 -6.306 1.00 0.00 C ATOM 1146 O SER B 76 -3.215 -5.526 -6.600 1.00 0.00 O ATOM 1147 CB SER B 76 -4.667 -4.703 -3.861 1.00 0.00 C ATOM 1148 OG SER B 76 -3.402 -5.218 -3.472 1.00 0.00 O ATOM 0 H SER B 76 -6.569 -3.468 -4.808 1.00 0.00 H new ATOM 0 HA SER B 76 -3.817 -3.384 -5.326 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.981 -3.936 -3.153 1.00 0.00 H new ATOM 0 HB3 SER B 76 -5.411 -5.498 -3.820 1.00 0.00 H new ATOM 0 HG SER B 76 -3.463 -5.587 -2.566 1.00 0.00 H new ATOM 1154 N ASN B 77 -5.448 -5.751 -6.845 1.00 0.00 N ATOM 1155 CA ASN B 77 -5.383 -6.697 -7.953 1.00 0.00 C ATOM 1156 C ASN B 77 -4.480 -6.167 -9.047 1.00 0.00 C ATOM 1157 O ASN B 77 -3.531 -6.825 -9.482 1.00 0.00 O ATOM 1158 CB ASN B 77 -6.774 -6.880 -8.539 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.843 -7.975 -9.582 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -6.132 -8.979 -9.503 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.689 -7.780 -10.579 1.00 0.00 N ATOM 0 H ASN B 77 -6.396 -5.554 -6.525 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.992 -7.643 -7.578 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -7.473 -7.109 -7.734 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.099 -5.941 -8.986 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -7.772 -8.475 -11.321 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -8.259 -6.935 -10.606 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.807 -4.965 -9.483 1.00 0.00 N ATOM 1169 CA ASP B 78 -4.044 -4.293 -10.525 1.00 0.00 C ATOM 1170 C ASP B 78 -2.668 -3.884 -10.024 1.00 0.00 C ATOM 1171 O ASP B 78 -1.667 -4.167 -10.665 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.788 -3.063 -11.042 1.00 0.00 C ATOM 1173 CG ASP B 78 -5.929 -3.422 -11.969 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -5.665 -3.753 -13.147 1.00 0.00 O ATOM 1175 OD2 ASP B 78 -7.095 -3.367 -11.529 1.00 0.00 O1- ATOM 0 H ASP B 78 -5.600 -4.429 -9.131 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.921 -5.002 -11.343 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -5.176 -2.495 -10.196 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.088 -2.413 -11.568 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.625 -3.233 -8.874 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.379 -2.728 -8.304 1.00 0.00 C ATOM 1182 C ILE B 79 -0.299 -3.807 -8.210 1.00 0.00 C ATOM 1183 O ILE B 79 0.879 -3.544 -8.443 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.631 -2.127 -6.930 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.698 -1.060 -7.077 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.353 -1.542 -6.341 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -2.369 0.031 -8.080 1.00 0.00 C ATOM 0 H ILE B 79 -3.450 -3.038 -8.307 1.00 0.00 H new ATOM 0 HA ILE B 79 -1.011 -1.956 -8.980 1.00 0.00 H new ATOM 0 HB ILE B 79 -1.968 -2.903 -6.242 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.632 -1.538 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.870 -0.600 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.565 -1.120 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.396 -2.328 -6.244 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.025 -0.759 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -3.188 0.749 -8.118 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.454 0.540 -7.777 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -2.228 -0.412 -9.066 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.708 -5.027 -7.894 1.00 0.00 N ATOM 1200 CA ASN B 80 0.240 -6.131 -7.746 1.00 0.00 C ATOM 1201 C ASN B 80 0.846 -6.561 -9.081 1.00 0.00 C ATOM 1202 O ASN B 80 1.915 -7.168 -9.109 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.416 -7.332 -7.063 1.00 0.00 C ATOM 1204 CG ASN B 80 -0.326 -7.253 -5.550 1.00 0.00 C ATOM 1205 OD1 ASN B 80 0.626 -7.750 -4.948 1.00 0.00 O ATOM 1206 ND2 ASN B 80 -1.310 -6.634 -4.926 1.00 0.00 N ATOM 0 H ASN B 80 -1.683 -5.281 -7.735 1.00 0.00 H new ATOM 0 HA ASN B 80 1.049 -5.760 -7.117 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -1.463 -7.389 -7.360 1.00 0.00 H new ATOM 0 HB3 ASN B 80 0.063 -8.249 -7.406 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -1.299 -6.554 -3.909 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -2.082 -6.235 -5.460 1.00 0.00 H new ATOM 1213 N LYS B 81 0.187 -6.237 -10.189 1.00 0.00 N ATOM 1214 CA LYS B 81 0.699 -6.622 -11.503 1.00 0.00 C ATOM 1215 C LYS B 81 1.742 -5.610 -11.974 1.00 0.00 C ATOM 1216 O LYS B 81 2.345 -5.764 -13.033 1.00 0.00 O ATOM 1217 CB LYS B 81 -0.441 -6.739 -12.528 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.894 -5.416 -13.111 1.00 0.00 C ATOM 1219 CD LYS B 81 -2.151 -5.564 -13.951 1.00 0.00 C ATOM 1220 CE LYS B 81 -2.583 -4.232 -14.541 1.00 0.00 C ATOM 1221 NZ LYS B 81 -3.934 -4.305 -15.159 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.690 -5.717 -10.207 1.00 0.00 H new ATOM 0 HA LYS B 81 1.170 -7.601 -11.415 1.00 0.00 H new ATOM 0 HB2 LYS B 81 -0.118 -7.389 -13.341 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -1.293 -7.224 -12.052 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -1.079 -4.708 -12.303 1.00 0.00 H new ATOM 0 HG3 LYS B 81 -0.096 -4.998 -13.724 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -1.972 -6.279 -14.754 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -2.955 -5.970 -13.337 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -2.583 -3.473 -13.759 1.00 0.00 H new ATOM 0 HE3 LYS B 81 -1.858 -3.916 -15.291 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -4.112 -3.440 -15.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 -3.983 -5.131 -15.789 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -4.653 -4.396 -14.413 1.00 0.00 H new ATOM 1235 N LEU B 82 1.966 -4.586 -11.158 1.00 0.00 N ATOM 1236 CA LEU B 82 2.922 -3.528 -11.477 1.00 0.00 C ATOM 1237 C LEU B 82 4.346 -3.996 -11.235 1.00 0.00 C ATOM 1238 O LEU B 82 5.305 -3.286 -11.543 1.00 0.00 O ATOM 1239 CB LEU B 82 2.655 -2.290 -10.613 1.00 0.00 C ATOM 1240 CG LEU B 82 1.626 -1.288 -11.146 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.201 -0.507 -12.315 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.339 -1.979 -11.564 1.00 0.00 C ATOM 0 H LEU B 82 1.494 -4.465 -10.262 1.00 0.00 H new ATOM 0 HA LEU B 82 2.800 -3.276 -12.530 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.325 -2.626 -9.630 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.599 -1.765 -10.470 1.00 0.00 H new ATOM 0 HG LEU B 82 1.390 -0.597 -10.337 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.457 0.200 -12.681 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.088 0.036 -11.989 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.471 -1.196 -13.115 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.368 -1.237 -11.937 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.554 -2.703 -12.350 1.00 0.00 H new ATOM 0 HD23 LEU B 82 -0.094 -2.493 -10.705 1.00 0.00 H new ATOM 1254 N ASN B 83 4.461 -5.205 -10.686 1.00 0.00 N ATOM 1255 CA ASN B 83 5.732 -5.736 -10.218 1.00 0.00 C ATOM 1256 C ASN B 83 6.397 -4.720 -9.293 1.00 0.00 C ATOM 1257 O ASN B 83 7.467 -4.183 -9.592 1.00 0.00 O ATOM 1258 CB ASN B 83 6.637 -6.094 -11.399 1.00 0.00 C ATOM 1259 CG ASN B 83 7.930 -6.760 -10.970 1.00 0.00 C ATOM 1260 OD1 ASN B 83 7.984 -7.437 -9.942 1.00 0.00 O ATOM 1261 ND2 ASN B 83 8.980 -6.574 -11.756 1.00 0.00 N ATOM 0 H ASN B 83 3.674 -5.840 -10.555 1.00 0.00 H new ATOM 0 HA ASN B 83 5.555 -6.653 -9.657 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.099 -6.759 -12.075 1.00 0.00 H new ATOM 0 HB3 ASN B 83 6.869 -5.189 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN B 83 9.876 -6.999 -11.519 1.00 0.00 H new ATOM 0 HD22 ASN B 83 8.892 -6.006 -12.599 1.00 0.00 H new ATOM 1268 N ILE B 84 5.727 -4.458 -8.174 1.00 0.00 N ATOM 1269 CA ILE B 84 6.122 -3.407 -7.242 1.00 0.00 C ATOM 1270 C ILE B 84 7.560 -3.567 -6.777 1.00 0.00 C ATOM 1271 O ILE B 84 8.053 -4.683 -6.617 1.00 0.00 O ATOM 1272 CB ILE B 84 5.203 -3.411 -6.013 1.00 0.00 C ATOM 1273 CG1 ILE B 84 3.765 -3.266 -6.463 1.00 0.00 C ATOM 1274 CG2 ILE B 84 5.564 -2.282 -5.053 1.00 0.00 C ATOM 1275 CD1 ILE B 84 2.769 -3.679 -5.407 1.00 0.00 C ATOM 0 H ILE B 84 4.893 -4.970 -7.888 1.00 0.00 H new ATOM 0 HA ILE B 84 6.034 -2.461 -7.777 1.00 0.00 H new ATOM 0 HB ILE B 84 5.332 -4.356 -5.485 1.00 0.00 H new ATOM 0 HG12 ILE B 84 3.581 -2.228 -6.742 1.00 0.00 H new ATOM 0 HG13 ILE B 84 3.608 -3.869 -7.357 1.00 0.00 H new ATOM 0 HG21 ILE B 84 4.897 -2.309 -4.192 1.00 0.00 H new ATOM 0 HG22 ILE B 84 6.594 -2.405 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE B 84 5.460 -1.324 -5.562 1.00 0.00 H new ATOM 0 HD11 ILE B 84 1.757 -3.551 -5.792 1.00 0.00 H new ATOM 0 HD12 ILE B 84 2.929 -4.725 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE B 84 2.901 -3.059 -4.520 1.00 0.00 H new ATOM 1287 N LYS B 85 8.213 -2.437 -6.571 1.00 0.00 N ATOM 1288 CA LYS B 85 9.592 -2.399 -6.100 1.00 0.00 C ATOM 1289 C LYS B 85 9.673 -1.769 -4.714 1.00 0.00 C ATOM 1290 O LYS B 85 8.654 -1.413 -4.124 1.00 0.00 O ATOM 1291 CB LYS B 85 10.454 -1.610 -7.083 1.00 0.00 C ATOM 1292 CG LYS B 85 10.335 -2.110 -8.511 1.00 0.00 C ATOM 1293 CD LYS B 85 11.313 -1.410 -9.441 1.00 0.00 C ATOM 1294 CE LYS B 85 11.002 0.072 -9.572 1.00 0.00 C ATOM 1295 NZ LYS B 85 11.910 0.746 -10.534 1.00 0.00 N1+ ATOM 0 H LYS B 85 7.803 -1.516 -6.725 1.00 0.00 H new ATOM 0 HA LYS B 85 9.964 -3.422 -6.035 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.167 -0.559 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS B 85 11.497 -1.667 -6.770 1.00 0.00 H new ATOM 0 HG2 LYS B 85 10.517 -3.184 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS B 85 9.317 -1.950 -8.868 1.00 0.00 H new ATOM 0 HD2 LYS B 85 12.328 -1.537 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS B 85 11.278 -1.878 -10.425 1.00 0.00 H new ATOM 0 HE2 LYS B 85 9.970 0.199 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS B 85 11.089 0.549 -8.596 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 11.665 1.755 -10.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 12.893 0.647 -10.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 11.809 0.308 -11.472 1.00 0.00 H new ATOM 1309 N GLY B 86 10.888 -1.623 -4.208 1.00 0.00 N ATOM 1310 CA GLY B 86 11.079 -1.068 -2.886 1.00 0.00 C ATOM 1311 C GLY B 86 12.293 -0.172 -2.826 1.00 0.00 C ATOM 1312 O GLY B 86 13.421 -0.638 -2.980 1.00 0.00 O ATOM 0 H GLY B 86 11.748 -1.880 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.194 -0.501 -2.598 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.188 -1.877 -2.164 1.00 0.00 H new ATOM 1316 N MET B 87 12.067 1.119 -2.622 1.00 0.00 N ATOM 1317 CA MET B 87 13.132 2.069 -2.507 1.00 0.00 C ATOM 1318 C MET B 87 12.714 3.223 -1.599 1.00 0.00 C ATOM 1319 O MET B 87 13.195 3.346 -0.475 1.00 0.00 O ATOM 1320 CB MET B 87 13.477 2.582 -3.894 1.00 0.00 C ATOM 1321 CG MET B 87 14.287 3.843 -3.873 1.00 0.00 C ATOM 1322 SD MET B 87 16.068 3.550 -3.813 1.00 0.00 S ATOM 1323 CE MET B 87 16.335 2.734 -5.387 1.00 0.00 C ATOM 0 H MET B 87 11.135 1.523 -2.534 1.00 0.00 H new ATOM 0 HA MET B 87 14.007 1.593 -2.065 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.030 1.812 -4.432 1.00 0.00 H new ATOM 0 HB3 MET B 87 12.555 2.759 -4.448 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.053 4.431 -4.760 1.00 0.00 H new ATOM 0 HG3 MET B 87 13.995 4.439 -3.009 1.00 0.00 H new ATOM 0 HE1 MET B 87 17.346 2.942 -5.738 1.00 0.00 H new ATOM 0 HE2 MET B 87 16.207 1.658 -5.266 1.00 0.00 H new ATOM 0 HE3 MET B 87 15.615 3.105 -6.116 1.00 0.00 H new ATOM 1333 N TYR B 88 11.801 4.056 -2.089 1.00 0.00 N ATOM 1334 CA TYR B 88 11.334 5.202 -1.336 1.00 0.00 C ATOM 1335 C TYR B 88 9.812 5.200 -1.317 1.00 0.00 C ATOM 1336 O TYR B 88 9.171 5.778 -2.196 1.00 0.00 O ATOM 1337 CB TYR B 88 11.859 6.490 -1.974 1.00 0.00 C ATOM 1338 CG TYR B 88 11.787 7.704 -1.077 1.00 0.00 C ATOM 1339 CD1 TYR B 88 10.617 8.443 -0.955 1.00 0.00 C ATOM 1340 CD2 TYR B 88 12.902 8.119 -0.364 1.00 0.00 C ATOM 1341 CE1 TYR B 88 10.562 9.562 -0.146 1.00 0.00 C ATOM 1342 CE2 TYR B 88 12.856 9.232 0.449 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.687 9.951 0.554 1.00 0.00 C ATOM 1344 OH TYR B 88 11.647 11.067 1.360 1.00 0.00 O ATOM 0 H TYR B 88 11.372 3.953 -3.009 1.00 0.00 H new ATOM 0 HA TYR B 88 11.704 5.147 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR B 88 12.895 6.336 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.290 6.690 -2.882 1.00 0.00 H new ATOM 0 HD1 TYR B 88 9.736 8.138 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR B 88 13.823 7.561 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR B 88 9.646 10.128 -0.062 1.00 0.00 H new ATOM 0 HE2 TYR B 88 13.733 9.538 1.000 1.00 0.00 H new ATOM 0 HH TYR B 88 12.522 11.199 1.780 1.00 0.00 H new ATOM 1354 N ILE B 89 9.245 4.503 -0.349 1.00 0.00 N ATOM 1355 CA ILE B 89 7.798 4.430 -0.210 1.00 0.00 C ATOM 1356 C ILE B 89 7.261 5.607 0.599 1.00 0.00 C ATOM 1357 O ILE B 89 7.795 5.945 1.658 1.00 0.00 O ATOM 1358 CB ILE B 89 7.358 3.109 0.465 1.00 0.00 C ATOM 1359 CG1 ILE B 89 7.916 1.900 -0.288 1.00 0.00 C ATOM 1360 CG2 ILE B 89 5.839 3.024 0.556 1.00 0.00 C ATOM 1361 CD1 ILE B 89 7.476 1.821 -1.727 1.00 0.00 C ATOM 0 H ILE B 89 9.764 3.978 0.355 1.00 0.00 H new ATOM 0 HA ILE B 89 7.384 4.467 -1.218 1.00 0.00 H new ATOM 0 HB ILE B 89 7.763 3.100 1.477 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.005 1.933 -0.252 1.00 0.00 H new ATOM 0 HG13 ILE B 89 7.608 0.990 0.227 1.00 0.00 H new ATOM 0 HG21 ILE B 89 5.555 2.087 1.034 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.462 3.860 1.145 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.412 3.064 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE B 89 7.913 0.938 -2.193 1.00 0.00 H new ATOM 0 HD12 ILE B 89 6.389 1.755 -1.772 1.00 0.00 H new ATOM 0 HD13 ILE B 89 7.808 2.713 -2.258 1.00 0.00 H new ATOM 1373 N GLU B 90 6.215 6.237 0.088 1.00 0.00 N ATOM 1374 CA GLU B 90 5.519 7.283 0.821 1.00 0.00 C ATOM 1375 C GLU B 90 4.069 6.894 1.055 1.00 0.00 C ATOM 1376 O GLU B 90 3.447 6.248 0.211 1.00 0.00 O ATOM 1377 CB GLU B 90 5.570 8.617 0.082 1.00 0.00 C ATOM 1378 CG GLU B 90 6.900 9.344 0.196 1.00 0.00 C ATOM 1379 CD GLU B 90 6.849 10.742 -0.388 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.323 11.655 0.289 1.00 0.00 O ATOM 1381 OE2 GLU B 90 7.336 10.942 -1.517 1.00 0.00 O1- ATOM 0 H GLU B 90 5.828 6.041 -0.835 1.00 0.00 H new ATOM 0 HA GLU B 90 6.027 7.399 1.779 1.00 0.00 H new ATOM 0 HB2 GLU B 90 5.353 8.444 -0.972 1.00 0.00 H new ATOM 0 HB3 GLU B 90 4.782 9.263 0.468 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.190 9.402 1.245 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.671 8.768 -0.316 1.00 0.00 H new ATOM 1388 N ILE B 91 3.546 7.295 2.204 1.00 0.00 N ATOM 1389 CA ILE B 91 2.169 7.008 2.577 1.00 0.00 C ATOM 1390 C ILE B 91 1.480 8.297 3.011 1.00 0.00 C ATOM 1391 O ILE B 91 1.818 8.862 4.055 1.00 0.00 O ATOM 1392 CB ILE B 91 2.104 6.004 3.747 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.798 4.691 3.382 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.663 5.753 4.174 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.135 3.945 2.243 1.00 0.00 C ATOM 0 H ILE B 91 4.063 7.828 2.903 1.00 0.00 H new ATOM 0 HA ILE B 91 1.670 6.576 1.710 1.00 0.00 H new ATOM 0 HB ILE B 91 2.634 6.443 4.592 1.00 0.00 H new ATOM 0 HG12 ILE B 91 3.833 4.901 3.113 1.00 0.00 H new ATOM 0 HG13 ILE B 91 2.822 4.047 4.261 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.647 5.042 5.000 1.00 0.00 H new ATOM 0 HG22 ILE B 91 0.210 6.691 4.494 1.00 0.00 H new ATOM 0 HG23 ILE B 91 0.100 5.346 3.334 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.684 3.025 2.042 1.00 0.00 H new ATOM 0 HD12 ILE B 91 1.108 3.703 2.516 1.00 0.00 H new ATOM 0 HD13 ILE B 91 2.135 4.570 1.350 1.00 0.00 H new ATOM 1407 N LYS B 92 0.519 8.757 2.227 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.112 10.049 2.489 1.00 0.00 C ATOM 1409 C LYS B 92 -1.387 10.232 1.675 1.00 0.00 C ATOM 1410 O LYS B 92 -1.649 9.489 0.733 1.00 0.00 O ATOM 1411 CB LYS B 92 0.870 11.163 2.161 1.00 0.00 C ATOM 1412 CG LYS B 92 1.381 11.088 0.737 1.00 0.00 C ATOM 1413 CD LYS B 92 2.619 11.952 0.548 1.00 0.00 C ATOM 1414 CE LYS B 92 3.030 12.039 -0.912 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.240 12.882 -1.100 1.00 0.00 N1+ ATOM 0 H LYS B 92 0.158 8.264 1.410 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.385 10.085 3.544 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.386 12.127 2.319 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.714 11.113 2.849 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.615 10.053 0.486 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.600 11.413 0.050 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.425 12.954 0.931 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.442 11.541 1.133 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.223 11.037 -1.295 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.207 12.450 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 4.477 12.929 -2.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.054 13.841 -0.743 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.037 12.467 -0.577 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.160 11.245 2.050 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.451 11.515 1.450 1.00 0.00 C ATOM 1431 C GLN B 93 -3.305 12.527 0.328 1.00 0.00 C ATOM 1432 O GLN B 93 -2.438 13.402 0.370 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.438 12.047 2.499 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.676 11.123 3.693 1.00 0.00 C ATOM 1435 CD GLN B 93 -3.532 11.111 4.682 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -2.675 10.115 4.567 1.00 0.00 O flip ATOM 1437 NE2 GLN B 93 -3.446 11.961 5.566 1.00 0.00 N flip ATOM 0 H GLN B 93 -1.902 11.904 2.785 1.00 0.00 H new ATOM 0 HA GLN B 93 -3.840 10.581 1.045 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -4.071 13.005 2.868 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -5.394 12.239 2.012 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -5.587 11.432 4.206 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.843 10.109 3.330 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -4.131 12.715 5.617 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -2.689 11.913 6.248 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.164 12.405 -0.660 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.103 13.225 -1.853 1.00 0.00 C ATOM 1448 C ILE B 94 -5.291 14.176 -1.925 1.00 0.00 C ATOM 1449 O ILE B 94 -5.076 15.382 -2.176 1.00 0.00 O ATOM 1450 CB ILE B 94 -4.054 12.332 -3.107 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -5.001 11.145 -2.925 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.633 11.850 -3.339 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.053 10.196 -4.103 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.430 13.727 -1.692 1.00 0.00 O ATOM 0 H ILE B 94 -4.929 11.731 -0.660 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.194 13.825 -1.809 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.372 12.905 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.698 10.587 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -6.005 11.524 -2.735 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.603 11.219 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -1.976 12.708 -3.482 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.298 11.277 -2.475 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.749 9.385 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.388 10.735 -4.990 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -4.060 9.784 -4.282 1.00 0.00 H new TER 1466 ILE B 94