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 53 ASN : amide:sc= 0.831 K(o=1.5,f=0.64) USER MOD Set 1.2: B 67 ASN : amide:sc= 0.703 K(o=1.5,f=0.64) USER MOD Set 2.1: B 59 ASN :FLIP amide:sc= -1.8 F(o=-4.5!,f=-2.3) USER MOD Set 2.2: B 87 MET CE :methyl 161:sc= -0.546 (180deg=-0.715) USER MOD Set 3.1: B 9 GLN : amide:sc= 1.1 X(o=-0.94,f=-0.83) USER MOD Set 3.2: B 14 ASN : amide:sc= -2.04 X(o=-0.94,f=-0.83) USER MOD Set 3.3: B 31 MET CE :methyl -132:sc= 0 (180deg=-0.303) USER MOD Single : B 1 ASP N :NH3+ 170:sc= -0.109 (180deg=-0.208) USER MOD Single : B 2 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : B 3 GLN : amide:sc= -1.43! C(o=-1.4!,f=-6.3!) USER MOD Single : B 4 LYS NZ :NH3+ 162:sc= -0.0387 (180deg=-0.283) USER MOD Single : B 10 MET CE :methyl -164:sc= 0 (180deg=-0.476) USER MOD Single : B 11 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 12 SER OG : rot 180:sc= 0 USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 17 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 ASN : amide:sc= -0.219 K(o=-0.22,f=-1.1) USER MOD Single : B 22 LYS NZ :NH3+ 167:sc= -0.0397 (180deg=-0.229) USER MOD Single : B 24 LYS NZ :NH3+ -142:sc= 0.72 (180deg=0.545) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 SER OG : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 ASN :FLIP amide:sc= -0.0568 F(o=-1.9!,f=-0.057) USER MOD Single : B 34 ASN : amide:sc=-0.00289 K(o=-0.0029,f=-1.4) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,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 90:sc= -0.478 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0454 USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0.00989 USER MOD Single : B 49 TYR OH : rot 30:sc= -0.157 USER MOD Single : B 52 LYS NZ :NH3+ -166:sc= -0.0215 (180deg=-0.21) USER MOD Single : B 62 LYS NZ :NH3+ -179:sc= 0.377 (180deg=0.366) USER MOD Single : B 64 TYR OH : rot 180:sc=-0.00152 USER MOD Single : B 65 THR OG1 : rot 180:sc= -1.91! USER MOD Single : B 69 LYS NZ :NH3+ 168:sc=-0.00931 (180deg=-0.163) USER MOD Single : B 70 SER OG : rot 180:sc= -0.147 USER MOD Single : B 71 THR OG1 : rot -32:sc= 1.11 USER MOD Single : B 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot -170:sc= 0 USER MOD Single : B 77 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 80 ASN :FLIP amide:sc= -0.136 F(o=-1.2!,f=-0.14) USER MOD Single : B 81 LYS NZ :NH3+ 136:sc= -1.11 (180deg=-3.43!) USER MOD Single : B 83 ASN : amide:sc= -0.105 K(o=-0.1,f=-0.77) USER MOD Single : B 85 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00358) USER MOD Single : B 88 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.18) USER MOD Single : B 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 1 23.162 -2.921 13.910 1.00 0.00 N ATOM 2 CA ASP B 1 22.264 -2.373 12.866 1.00 0.00 C ATOM 3 C ASP B 1 21.568 -3.495 12.096 1.00 0.00 C ATOM 4 O ASP B 1 21.019 -3.269 11.019 1.00 0.00 O ATOM 5 CB ASP B 1 23.049 -1.483 11.894 1.00 0.00 C ATOM 6 CG ASP B 1 24.114 -2.242 11.126 1.00 0.00 C ATOM 7 OD1 ASP B 1 25.185 -2.518 11.706 1.00 0.00 O ATOM 8 OD2 ASP B 1 23.895 -2.555 9.939 1.00 0.00 O1- ATOM 0 H1 ASP B 1 23.746 -2.155 14.302 1.00 0.00 H new ATOM 0 H2 ASP B 1 22.593 -3.346 14.670 1.00 0.00 H new ATOM 0 H3 ASP B 1 23.778 -3.647 13.492 1.00 0.00 H new ATOM 0 HA ASP B 1 21.503 -1.771 13.363 1.00 0.00 H new ATOM 0 HB2 ASP B 1 22.356 -1.026 11.188 1.00 0.00 H new ATOM 0 HB3 ASP B 1 23.518 -0.672 12.451 1.00 0.00 H new ATOM 15 N ASN B 2 21.567 -4.698 12.660 1.00 0.00 N ATOM 16 CA ASN B 2 20.975 -5.852 11.989 1.00 0.00 C ATOM 17 C ASN B 2 19.456 -5.835 12.111 1.00 0.00 C ATOM 18 O ASN B 2 18.746 -6.160 11.163 1.00 0.00 O ATOM 19 CB ASN B 2 21.528 -7.159 12.562 1.00 0.00 C ATOM 20 CG ASN B 2 23.013 -7.329 12.306 1.00 0.00 C ATOM 21 OD1 ASN B 2 23.548 -6.828 11.316 1.00 0.00 O ATOM 22 ND2 ASN B 2 23.691 -8.035 13.195 1.00 0.00 N ATOM 0 H ASN B 2 21.967 -4.900 13.576 1.00 0.00 H new ATOM 0 HA ASN B 2 21.241 -5.791 10.934 1.00 0.00 H new ATOM 0 HB2 ASN B 2 21.343 -7.187 13.636 1.00 0.00 H new ATOM 0 HB3 ASN B 2 20.990 -7.999 12.124 1.00 0.00 H new ATOM 0 HD21 ASN B 2 24.693 -8.181 13.074 1.00 0.00 H new ATOM 0 HD22 ASN B 2 23.212 -8.434 14.002 1.00 0.00 H new ATOM 29 N GLN B 3 18.957 -5.447 13.277 1.00 0.00 N ATOM 30 CA GLN B 3 17.516 -5.363 13.499 1.00 0.00 C ATOM 31 C GLN B 3 16.981 -4.034 12.984 1.00 0.00 C ATOM 32 O GLN B 3 15.786 -3.878 12.738 1.00 0.00 O ATOM 33 CB GLN B 3 17.187 -5.519 14.986 1.00 0.00 C ATOM 34 CG GLN B 3 17.600 -6.861 15.576 1.00 0.00 C ATOM 35 CD GLN B 3 16.812 -8.034 15.016 1.00 0.00 C ATOM 36 OE1 GLN B 3 16.371 -8.024 13.868 1.00 0.00 O ATOM 37 NE2 GLN B 3 16.623 -9.056 15.834 1.00 0.00 N ATOM 0 H GLN B 3 19.525 -5.186 14.083 1.00 0.00 H new ATOM 0 HA GLN B 3 17.038 -6.175 12.952 1.00 0.00 H new ATOM 0 HB2 GLN B 3 17.681 -4.722 15.542 1.00 0.00 H new ATOM 0 HB3 GLN B 3 16.114 -5.387 15.126 1.00 0.00 H new ATOM 0 HG2 GLN B 3 18.661 -7.022 15.386 1.00 0.00 H new ATOM 0 HG3 GLN B 3 17.471 -6.829 16.658 1.00 0.00 H new ATOM 0 HE21 GLN B 3 17.004 -9.029 16.780 1.00 0.00 H new ATOM 0 HE22 GLN B 3 16.097 -9.871 15.519 1.00 0.00 H new ATOM 46 N LYS B 4 17.886 -3.079 12.825 1.00 0.00 N ATOM 47 CA LYS B 4 17.549 -1.762 12.324 1.00 0.00 C ATOM 48 C LYS B 4 17.753 -1.710 10.809 1.00 0.00 C ATOM 49 O LYS B 4 17.722 -0.645 10.198 1.00 0.00 O ATOM 50 CB LYS B 4 18.447 -0.737 13.004 1.00 0.00 C ATOM 51 CG LYS B 4 17.749 0.550 13.426 1.00 0.00 C ATOM 52 CD LYS B 4 17.160 1.308 12.246 1.00 0.00 C ATOM 53 CE LYS B 4 16.804 2.738 12.613 1.00 0.00 C ATOM 54 NZ LYS B 4 18.016 3.562 12.866 1.00 0.00 N1+ ATOM 0 H LYS B 4 18.875 -3.200 13.041 1.00 0.00 H new ATOM 0 HA LYS B 4 16.504 -1.541 12.541 1.00 0.00 H new ATOM 0 HB2 LYS B 4 18.894 -1.196 13.886 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.263 -0.485 12.327 1.00 0.00 H new ATOM 0 HG2 LYS B 4 16.955 0.313 14.134 1.00 0.00 H new ATOM 0 HG3 LYS B 4 18.460 1.191 13.947 1.00 0.00 H new ATOM 0 HD2 LYS B 4 17.875 1.312 11.423 1.00 0.00 H new ATOM 0 HD3 LYS B 4 16.268 0.791 11.891 1.00 0.00 H new ATOM 0 HE2 LYS B 4 16.222 3.186 11.807 1.00 0.00 H new ATOM 0 HE3 LYS B 4 16.172 2.739 13.501 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 17.768 4.570 12.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 18.390 3.348 13.813 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 18.739 3.344 12.151 1.00 0.00 H new ATOM 68 N ALA B 5 17.994 -2.868 10.217 1.00 0.00 N ATOM 69 CA ALA B 5 18.166 -2.972 8.773 1.00 0.00 C ATOM 70 C ALA B 5 16.850 -2.708 8.050 1.00 0.00 C ATOM 71 O ALA B 5 16.120 -3.635 7.700 1.00 0.00 O ATOM 72 CB ALA B 5 18.711 -4.344 8.400 1.00 0.00 C ATOM 0 H ALA B 5 18.076 -3.755 10.715 1.00 0.00 H new ATOM 0 HA ALA B 5 18.885 -2.215 8.460 1.00 0.00 H new ATOM 0 HB1 ALA B 5 18.834 -4.405 7.319 1.00 0.00 H new ATOM 0 HB2 ALA B 5 19.676 -4.496 8.884 1.00 0.00 H new ATOM 0 HB3 ALA B 5 18.014 -5.114 8.730 1.00 0.00 H new ATOM 78 N LEU B 6 16.549 -1.437 7.837 1.00 0.00 N ATOM 79 CA LEU B 6 15.304 -1.040 7.196 1.00 0.00 C ATOM 80 C LEU B 6 15.544 -0.697 5.730 1.00 0.00 C ATOM 81 O LEU B 6 14.761 0.023 5.114 1.00 0.00 O ATOM 82 CB LEU B 6 14.691 0.163 7.923 1.00 0.00 C ATOM 83 CG LEU B 6 14.459 -0.019 9.425 1.00 0.00 C ATOM 84 CD1 LEU B 6 13.853 1.241 10.022 1.00 0.00 C ATOM 85 CD2 LEU B 6 13.563 -1.219 9.691 1.00 0.00 C ATOM 0 H LEU B 6 17.153 -0.658 8.100 1.00 0.00 H new ATOM 0 HA LEU B 6 14.608 -1.877 7.249 1.00 0.00 H new ATOM 0 HB2 LEU B 6 15.343 1.024 7.776 1.00 0.00 H new ATOM 0 HB3 LEU B 6 13.737 0.401 7.453 1.00 0.00 H new ATOM 0 HG LEU B 6 15.422 -0.202 9.902 1.00 0.00 H new ATOM 0 HD11 LEU B 6 13.694 1.097 11.091 1.00 0.00 H new ATOM 0 HD12 LEU B 6 14.531 2.080 9.866 1.00 0.00 H new ATOM 0 HD13 LEU B 6 12.899 1.451 9.538 1.00 0.00 H new ATOM 0 HD21 LEU B 6 13.412 -1.329 10.765 1.00 0.00 H new ATOM 0 HD22 LEU B 6 12.600 -1.070 9.202 1.00 0.00 H new ATOM 0 HD23 LEU B 6 14.034 -2.119 9.297 1.00 0.00 H new ATOM 97 N GLU B 7 16.642 -1.209 5.188 1.00 0.00 N ATOM 98 CA GLU B 7 17.013 -0.976 3.804 1.00 0.00 C ATOM 99 C GLU B 7 15.953 -1.497 2.840 1.00 0.00 C ATOM 100 O GLU B 7 15.337 -0.730 2.101 1.00 0.00 O ATOM 101 CB GLU B 7 18.341 -1.667 3.548 1.00 0.00 C ATOM 102 CG GLU B 7 19.393 -1.271 4.560 1.00 0.00 C ATOM 103 CD GLU B 7 19.844 0.162 4.385 1.00 0.00 C ATOM 104 OE1 GLU B 7 20.720 0.414 3.533 1.00 0.00 O ATOM 105 OE2 GLU B 7 19.316 1.044 5.090 1.00 0.00 O1- ATOM 0 H GLU B 7 17.299 -1.798 5.699 1.00 0.00 H new ATOM 0 HA GLU B 7 17.099 0.097 3.633 1.00 0.00 H new ATOM 0 HB2 GLU B 7 18.199 -2.747 3.578 1.00 0.00 H new ATOM 0 HB3 GLU B 7 18.691 -1.419 2.546 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.995 -1.405 5.566 1.00 0.00 H new ATOM 0 HG3 GLU B 7 20.253 -1.935 4.466 1.00 0.00 H new ATOM 112 N GLU B 8 15.750 -2.803 2.853 1.00 0.00 N ATOM 113 CA GLU B 8 14.782 -3.434 1.991 1.00 0.00 C ATOM 114 C GLU B 8 13.485 -3.685 2.741 1.00 0.00 C ATOM 115 O GLU B 8 12.531 -4.249 2.203 1.00 0.00 O ATOM 116 CB GLU B 8 15.347 -4.743 1.445 1.00 0.00 C ATOM 117 CG GLU B 8 16.705 -4.574 0.792 1.00 0.00 C ATOM 118 CD GLU B 8 17.208 -5.845 0.146 1.00 0.00 C ATOM 119 OE1 GLU B 8 16.653 -6.244 -0.899 1.00 0.00 O ATOM 120 OE2 GLU B 8 18.172 -6.443 0.669 1.00 0.00 O1- ATOM 0 H GLU B 8 16.253 -3.449 3.462 1.00 0.00 H new ATOM 0 HA GLU B 8 14.568 -2.768 1.155 1.00 0.00 H new ATOM 0 HB2 GLU B 8 15.428 -5.465 2.258 1.00 0.00 H new ATOM 0 HB3 GLU B 8 14.649 -5.159 0.718 1.00 0.00 H new ATOM 0 HG2 GLU B 8 16.645 -3.788 0.039 1.00 0.00 H new ATOM 0 HG3 GLU B 8 17.424 -4.244 1.541 1.00 0.00 H new ATOM 127 N GLN B 9 13.470 -3.271 3.994 1.00 0.00 N ATOM 128 CA GLN B 9 12.305 -3.423 4.843 1.00 0.00 C ATOM 129 C GLN B 9 11.988 -2.087 5.512 1.00 0.00 C ATOM 130 O GLN B 9 12.304 -1.869 6.679 1.00 0.00 O ATOM 131 CB GLN B 9 12.553 -4.528 5.878 1.00 0.00 C ATOM 132 CG GLN B 9 11.283 -5.161 6.429 1.00 0.00 C ATOM 133 CD GLN B 9 10.708 -4.424 7.622 1.00 0.00 C ATOM 134 OE1 GLN B 9 11.440 -3.879 8.452 1.00 0.00 O ATOM 135 NE2 GLN B 9 9.390 -4.392 7.710 1.00 0.00 N ATOM 0 H GLN B 9 14.263 -2.821 4.451 1.00 0.00 H new ATOM 0 HA GLN B 9 11.443 -3.718 4.244 1.00 0.00 H new ATOM 0 HB2 GLN B 9 13.166 -5.306 5.423 1.00 0.00 H new ATOM 0 HB3 GLN B 9 13.128 -4.113 6.706 1.00 0.00 H new ATOM 0 HG2 GLN B 9 10.533 -5.198 5.639 1.00 0.00 H new ATOM 0 HG3 GLN B 9 11.495 -6.191 6.716 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.820 -4.856 7.002 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.942 -3.904 8.486 1.00 0.00 H new ATOM 144 N MET B 10 11.391 -1.184 4.748 1.00 0.00 N ATOM 145 CA MET B 10 11.063 0.148 5.241 1.00 0.00 C ATOM 146 C MET B 10 9.911 0.101 6.236 1.00 0.00 C ATOM 147 O MET B 10 9.038 -0.764 6.165 1.00 0.00 O ATOM 148 CB MET B 10 10.709 1.074 4.075 1.00 0.00 C ATOM 149 CG MET B 10 11.919 1.654 3.364 1.00 0.00 C ATOM 150 SD MET B 10 12.852 2.794 4.407 1.00 0.00 S ATOM 151 CE MET B 10 14.131 3.317 3.266 1.00 0.00 C ATOM 0 H MET B 10 11.122 -1.350 3.778 1.00 0.00 H new ATOM 0 HA MET B 10 11.941 0.539 5.755 1.00 0.00 H new ATOM 0 HB2 MET B 10 10.106 0.521 3.354 1.00 0.00 H new ATOM 0 HB3 MET B 10 10.091 1.891 4.447 1.00 0.00 H new ATOM 0 HG2 MET B 10 12.572 0.842 3.044 1.00 0.00 H new ATOM 0 HG3 MET B 10 11.593 2.175 2.464 1.00 0.00 H new ATOM 0 HE1 MET B 10 14.942 3.790 3.820 1.00 0.00 H new ATOM 0 HE2 MET B 10 14.516 2.450 2.729 1.00 0.00 H new ATOM 0 HE3 MET B 10 13.714 4.030 2.554 1.00 0.00 H new ATOM 161 N ASN B 11 9.920 1.049 7.162 1.00 0.00 N ATOM 162 CA ASN B 11 8.906 1.145 8.187 1.00 0.00 C ATOM 163 C ASN B 11 7.548 1.491 7.581 1.00 0.00 C ATOM 164 O ASN B 11 6.505 1.095 8.101 1.00 0.00 O ATOM 165 CB ASN B 11 9.305 2.200 9.222 1.00 0.00 C ATOM 166 CG ASN B 11 8.377 2.234 10.426 1.00 0.00 C ATOM 167 OD1 ASN B 11 7.821 1.212 10.832 1.00 0.00 O ATOM 168 ND2 ASN B 11 8.205 3.411 11.008 1.00 0.00 N ATOM 0 H ASN B 11 10.636 1.773 7.219 1.00 0.00 H new ATOM 0 HA ASN B 11 8.823 0.175 8.678 1.00 0.00 H new ATOM 0 HB2 ASN B 11 10.322 2.002 9.560 1.00 0.00 H new ATOM 0 HB3 ASN B 11 9.312 3.181 8.748 1.00 0.00 H new ATOM 0 HD21 ASN B 11 7.595 3.493 11.821 1.00 0.00 H new ATOM 0 HD22 ASN B 11 8.683 4.235 10.643 1.00 0.00 H new ATOM 175 N SER B 12 7.574 2.191 6.450 1.00 0.00 N ATOM 176 CA SER B 12 6.356 2.670 5.812 1.00 0.00 C ATOM 177 C SER B 12 5.580 1.513 5.195 1.00 0.00 C ATOM 178 O SER B 12 4.374 1.613 4.974 1.00 0.00 O ATOM 179 CB SER B 12 6.697 3.709 4.741 1.00 0.00 C ATOM 180 OG SER B 12 7.467 4.767 5.291 1.00 0.00 O ATOM 0 H SER B 12 8.431 2.439 5.956 1.00 0.00 H new ATOM 0 HA SER B 12 5.729 3.137 6.572 1.00 0.00 H new ATOM 0 HB2 SER B 12 7.250 3.234 3.931 1.00 0.00 H new ATOM 0 HB3 SER B 12 5.779 4.108 4.310 1.00 0.00 H new ATOM 0 HG SER B 12 7.675 5.419 4.590 1.00 0.00 H new ATOM 186 N ILE B 13 6.276 0.409 4.939 1.00 0.00 N ATOM 187 CA ILE B 13 5.642 -0.774 4.373 1.00 0.00 C ATOM 188 C ILE B 13 4.586 -1.283 5.336 1.00 0.00 C ATOM 189 O ILE B 13 3.446 -1.571 4.965 1.00 0.00 O ATOM 190 CB ILE B 13 6.652 -1.920 4.152 1.00 0.00 C ATOM 191 CG1 ILE B 13 7.936 -1.415 3.492 1.00 0.00 C ATOM 192 CG2 ILE B 13 6.017 -3.024 3.316 1.00 0.00 C ATOM 193 CD1 ILE B 13 7.855 -1.271 1.985 1.00 0.00 C ATOM 0 H ILE B 13 7.276 0.310 5.114 1.00 0.00 H new ATOM 0 HA ILE B 13 5.213 -0.484 3.414 1.00 0.00 H new ATOM 0 HB ILE B 13 6.922 -2.325 5.127 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.195 -0.448 3.923 1.00 0.00 H new ATOM 0 HG13 ILE B 13 8.748 -2.100 3.736 1.00 0.00 H new ATOM 0 HG21 ILE B 13 6.738 -3.827 3.166 1.00 0.00 H new ATOM 0 HG22 ILE B 13 5.141 -3.415 3.834 1.00 0.00 H new ATOM 0 HG23 ILE B 13 5.717 -2.621 2.349 1.00 0.00 H new ATOM 0 HD11 ILE B 13 8.809 -0.908 1.602 1.00 0.00 H new ATOM 0 HD12 ILE B 13 7.630 -2.240 1.539 1.00 0.00 H new ATOM 0 HD13 ILE B 13 7.068 -0.562 1.729 1.00 0.00 H new ATOM 205 N ASN B 14 5.002 -1.369 6.587 1.00 0.00 N ATOM 206 CA ASN B 14 4.182 -1.889 7.664 1.00 0.00 C ATOM 207 C ASN B 14 2.965 -1.003 7.879 1.00 0.00 C ATOM 208 O ASN B 14 1.866 -1.492 8.130 1.00 0.00 O ATOM 209 CB ASN B 14 5.016 -1.963 8.944 1.00 0.00 C ATOM 210 CG ASN B 14 6.368 -2.615 8.711 1.00 0.00 C ATOM 211 OD1 ASN B 14 6.527 -3.822 8.873 1.00 0.00 O ATOM 212 ND2 ASN B 14 7.350 -1.814 8.318 1.00 0.00 N ATOM 0 H ASN B 14 5.932 -1.075 6.886 1.00 0.00 H new ATOM 0 HA ASN B 14 3.835 -2.888 7.400 1.00 0.00 H new ATOM 0 HB2 ASN B 14 5.163 -0.958 9.339 1.00 0.00 H new ATOM 0 HB3 ASN B 14 4.469 -2.526 9.700 1.00 0.00 H new ATOM 0 HD21 ASN B 14 8.279 -2.196 8.139 1.00 0.00 H new ATOM 0 HD22 ASN B 14 7.176 -0.816 8.195 1.00 0.00 H new ATOM 219 N SER B 15 3.166 0.304 7.757 1.00 0.00 N ATOM 220 CA SER B 15 2.086 1.262 7.907 1.00 0.00 C ATOM 221 C SER B 15 1.014 1.046 6.843 1.00 0.00 C ATOM 222 O SER B 15 -0.174 1.056 7.148 1.00 0.00 O ATOM 223 CB SER B 15 2.637 2.682 7.830 1.00 0.00 C ATOM 224 OG SER B 15 3.684 2.868 8.767 1.00 0.00 O ATOM 0 H SER B 15 4.074 0.723 7.553 1.00 0.00 H new ATOM 0 HA SER B 15 1.624 1.114 8.883 1.00 0.00 H new ATOM 0 HB2 SER B 15 3.005 2.880 6.823 1.00 0.00 H new ATOM 0 HB3 SER B 15 1.838 3.398 8.024 1.00 0.00 H new ATOM 0 HG SER B 15 4.024 3.785 8.700 1.00 0.00 H new ATOM 230 N VAL B 16 1.439 0.839 5.598 1.00 0.00 N ATOM 231 CA VAL B 16 0.511 0.545 4.508 1.00 0.00 C ATOM 232 C VAL B 16 -0.252 -0.743 4.795 1.00 0.00 C ATOM 233 O VAL B 16 -1.479 -0.794 4.686 1.00 0.00 O ATOM 234 CB VAL B 16 1.250 0.394 3.160 1.00 0.00 C ATOM 235 CG1 VAL B 16 0.293 -0.022 2.054 1.00 0.00 C ATOM 236 CG2 VAL B 16 1.965 1.681 2.784 1.00 0.00 C ATOM 0 H VAL B 16 2.420 0.869 5.319 1.00 0.00 H new ATOM 0 HA VAL B 16 -0.182 1.383 4.439 1.00 0.00 H new ATOM 0 HB VAL B 16 1.996 -0.392 3.280 1.00 0.00 H new ATOM 0 HG11 VAL B 16 0.841 -0.121 1.117 1.00 0.00 H new ATOM 0 HG12 VAL B 16 -0.165 -0.978 2.309 1.00 0.00 H new ATOM 0 HG13 VAL B 16 -0.484 0.734 1.942 1.00 0.00 H new ATOM 0 HG21 VAL B 16 2.477 1.548 1.831 1.00 0.00 H new ATOM 0 HG22 VAL B 16 1.238 2.488 2.695 1.00 0.00 H new ATOM 0 HG23 VAL B 16 2.693 1.931 3.555 1.00 0.00 H new ATOM 246 N ASN B 17 0.497 -1.769 5.182 1.00 0.00 N ATOM 247 CA ASN B 17 -0.057 -3.087 5.471 1.00 0.00 C ATOM 248 C ASN B 17 -1.077 -3.012 6.605 1.00 0.00 C ATOM 249 O ASN B 17 -2.088 -3.714 6.595 1.00 0.00 O ATOM 250 CB ASN B 17 1.084 -4.038 5.845 1.00 0.00 C ATOM 251 CG ASN B 17 0.650 -5.478 6.081 1.00 0.00 C ATOM 252 OD1 ASN B 17 -0.375 -5.936 5.377 1.00 0.00 O flip ATOM 253 ND2 ASN B 17 1.257 -6.184 6.885 1.00 0.00 N flip ATOM 0 H ASN B 17 1.508 -1.711 5.305 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.570 -3.460 4.585 1.00 0.00 H new ATOM 0 HB2 ASN B 17 1.830 -4.022 5.050 1.00 0.00 H new ATOM 0 HB3 ASN B 17 1.571 -3.666 6.746 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.042 -5.799 7.411 1.00 0.00 H new ATOM 0 HD22 ASN B 17 0.975 -7.154 7.026 1.00 0.00 H new ATOM 260 N ASP B 18 -0.795 -2.162 7.578 1.00 0.00 N ATOM 261 CA ASP B 18 -1.702 -1.930 8.690 1.00 0.00 C ATOM 262 C ASP B 18 -2.923 -1.154 8.224 1.00 0.00 C ATOM 263 O ASP B 18 -4.051 -1.625 8.335 1.00 0.00 O ATOM 264 CB ASP B 18 -0.988 -1.141 9.789 1.00 0.00 C ATOM 265 CG ASP B 18 -0.834 -1.919 11.078 1.00 0.00 C ATOM 266 OD1 ASP B 18 -1.744 -1.852 11.930 1.00 0.00 O1- ATOM 267 OD2 ASP B 18 0.209 -2.586 11.255 1.00 0.00 O ATOM 0 H ASP B 18 0.065 -1.615 7.620 1.00 0.00 H new ATOM 0 HA ASP B 18 -2.022 -2.895 9.083 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -0.002 -0.844 9.432 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -1.544 -0.225 9.989 1.00 0.00 H new ATOM 272 N LYS B 19 -2.666 0.017 7.656 1.00 0.00 N ATOM 273 CA LYS B 19 -3.677 0.963 7.268 1.00 0.00 C ATOM 274 C LYS B 19 -4.716 0.366 6.328 1.00 0.00 C ATOM 275 O LYS B 19 -5.918 0.508 6.550 1.00 0.00 O ATOM 276 CB LYS B 19 -2.929 2.102 6.606 1.00 0.00 C ATOM 277 CG LYS B 19 -3.726 2.943 5.656 1.00 0.00 C ATOM 278 CD LYS B 19 -4.890 3.660 6.333 1.00 0.00 C ATOM 279 CE LYS B 19 -4.453 4.416 7.575 1.00 0.00 C ATOM 280 NZ LYS B 19 -3.584 5.579 7.257 1.00 0.00 N1+ ATOM 0 H LYS B 19 -1.718 0.334 7.451 1.00 0.00 H new ATOM 0 HA LYS B 19 -4.247 1.293 8.137 1.00 0.00 H new ATOM 0 HB2 LYS B 19 -2.528 2.750 7.386 1.00 0.00 H new ATOM 0 HB3 LYS B 19 -2.077 1.687 6.067 1.00 0.00 H new ATOM 0 HG2 LYS B 19 -3.070 3.681 5.194 1.00 0.00 H new ATOM 0 HG3 LYS B 19 -4.111 2.312 4.855 1.00 0.00 H new ATOM 0 HD2 LYS B 19 -5.346 4.355 5.628 1.00 0.00 H new ATOM 0 HD3 LYS B 19 -5.655 2.932 6.603 1.00 0.00 H new ATOM 0 HE2 LYS B 19 -5.335 4.762 8.115 1.00 0.00 H new ATOM 0 HE3 LYS B 19 -3.918 3.738 8.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 -3.313 6.061 8.138 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 -2.729 5.249 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 -4.101 6.242 6.645 1.00 0.00 H new ATOM 294 N LEU B 20 -4.250 -0.286 5.281 1.00 0.00 N ATOM 295 CA LEU B 20 -5.144 -0.824 4.267 1.00 0.00 C ATOM 296 C LEU B 20 -5.932 -2.021 4.780 1.00 0.00 C ATOM 297 O LEU B 20 -6.990 -2.347 4.244 1.00 0.00 O ATOM 298 CB LEU B 20 -4.369 -1.190 3.007 1.00 0.00 C ATOM 299 CG LEU B 20 -3.868 0.002 2.191 1.00 0.00 C ATOM 300 CD1 LEU B 20 -3.150 -0.470 0.938 1.00 0.00 C ATOM 301 CD2 LEU B 20 -5.026 0.921 1.833 1.00 0.00 C ATOM 0 H LEU B 20 -3.260 -0.457 5.108 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.864 -0.043 4.021 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.514 -1.804 3.289 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -5.006 -1.805 2.371 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.157 0.563 2.798 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -2.801 0.393 0.371 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -2.297 -1.088 1.218 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -3.836 -1.054 0.324 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -4.654 1.765 1.252 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -5.759 0.370 1.244 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -5.495 1.287 2.746 1.00 0.00 H new ATOM 313 N ASN B 21 -5.430 -2.659 5.827 1.00 0.00 N ATOM 314 CA ASN B 21 -6.122 -3.790 6.422 1.00 0.00 C ATOM 315 C ASN B 21 -7.039 -3.311 7.551 1.00 0.00 C ATOM 316 O ASN B 21 -8.127 -2.808 7.282 1.00 0.00 O ATOM 317 CB ASN B 21 -5.111 -4.841 6.906 1.00 0.00 C ATOM 318 CG ASN B 21 -5.754 -6.047 7.572 1.00 0.00 C ATOM 319 OD1 ASN B 21 -6.900 -6.402 7.294 1.00 0.00 O ATOM 320 ND2 ASN B 21 -5.006 -6.693 8.451 1.00 0.00 N ATOM 0 H ASN B 21 -4.550 -2.413 6.280 1.00 0.00 H new ATOM 0 HA ASN B 21 -6.749 -4.267 5.669 1.00 0.00 H new ATOM 0 HB2 ASN B 21 -4.518 -5.180 6.057 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -4.422 -4.373 7.609 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -5.374 -7.517 8.926 1.00 0.00 H new ATOM 0 HD22 ASN B 21 -4.061 -6.367 8.654 1.00 0.00 H new ATOM 327 N LYS B 22 -6.592 -3.435 8.804 1.00 0.00 N ATOM 328 CA LYS B 22 -7.380 -3.025 9.977 1.00 0.00 C ATOM 329 C LYS B 22 -8.803 -3.585 9.956 1.00 0.00 C ATOM 330 O LYS B 22 -9.717 -3.007 10.548 1.00 0.00 O ATOM 331 CB LYS B 22 -7.427 -1.503 10.090 1.00 0.00 C ATOM 332 CG LYS B 22 -6.074 -0.881 10.376 1.00 0.00 C ATOM 333 CD LYS B 22 -6.158 0.633 10.482 1.00 0.00 C ATOM 334 CE LYS B 22 -6.991 1.064 11.678 1.00 0.00 C ATOM 335 NZ LYS B 22 -6.385 0.633 12.966 1.00 0.00 N1+ ATOM 0 H LYS B 22 -5.677 -3.821 9.037 1.00 0.00 H new ATOM 0 HA LYS B 22 -6.876 -3.442 10.849 1.00 0.00 H new ATOM 0 HB2 LYS B 22 -7.821 -1.089 9.162 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -8.122 -1.226 10.883 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -5.676 -1.289 11.305 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -5.375 -1.151 9.584 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -5.154 1.049 10.568 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -6.594 1.039 9.569 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -7.098 2.149 11.673 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -7.993 0.645 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -6.854 1.126 13.752 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -6.506 -0.394 13.080 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -5.371 0.865 12.967 1.00 0.00 H new ATOM 349 N GLY B 23 -8.989 -4.705 9.275 1.00 0.00 N ATOM 350 CA GLY B 23 -10.296 -5.333 9.229 1.00 0.00 C ATOM 351 C GLY B 23 -11.131 -4.874 8.049 1.00 0.00 C ATOM 352 O GLY B 23 -12.333 -5.138 7.991 1.00 0.00 O ATOM 0 H GLY B 23 -8.260 -5.191 8.753 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -10.172 -6.415 9.181 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -10.831 -5.114 10.153 1.00 0.00 H new ATOM 356 N LYS B 24 -10.507 -4.170 7.115 1.00 0.00 N ATOM 357 CA LYS B 24 -11.182 -3.758 5.893 1.00 0.00 C ATOM 358 C LYS B 24 -10.877 -4.752 4.775 1.00 0.00 C ATOM 359 O LYS B 24 -11.058 -5.961 4.939 1.00 0.00 O ATOM 360 CB LYS B 24 -10.734 -2.358 5.462 1.00 0.00 C ATOM 361 CG LYS B 24 -10.854 -1.297 6.537 1.00 0.00 C ATOM 362 CD LYS B 24 -10.310 0.043 6.059 1.00 0.00 C ATOM 363 CE LYS B 24 -8.845 -0.062 5.654 1.00 0.00 C ATOM 364 NZ LYS B 24 -8.284 1.245 5.217 1.00 0.00 N1+ ATOM 0 H LYS B 24 -9.534 -3.872 7.181 1.00 0.00 H new ATOM 0 HA LYS B 24 -12.254 -3.735 6.088 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -9.696 -2.408 5.134 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -11.326 -2.051 4.600 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -11.899 -1.185 6.825 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -10.311 -1.615 7.427 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -10.899 0.395 5.212 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -10.417 0.784 6.851 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -8.264 -0.441 6.495 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -8.745 -0.786 4.845 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -7.635 1.095 4.418 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -9.058 1.873 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -7.766 1.682 6.006 1.00 0.00 H new ATOM 378 N GLY B 25 -10.442 -4.233 3.629 1.00 0.00 N ATOM 379 CA GLY B 25 -9.989 -5.087 2.555 1.00 0.00 C ATOM 380 C GLY B 25 -8.721 -5.805 2.954 1.00 0.00 C ATOM 381 O GLY B 25 -7.661 -5.189 3.047 1.00 0.00 O ATOM 0 H GLY B 25 -10.397 -3.234 3.429 1.00 0.00 H new ATOM 0 HA2 GLY B 25 -10.763 -5.813 2.308 1.00 0.00 H new ATOM 0 HA3 GLY B 25 -9.811 -4.492 1.659 1.00 0.00 H new ATOM 385 N LYS B 26 -8.836 -7.097 3.214 1.00 0.00 N ATOM 386 CA LYS B 26 -7.724 -7.882 3.728 1.00 0.00 C ATOM 387 C LYS B 26 -6.611 -8.014 2.712 1.00 0.00 C ATOM 388 O LYS B 26 -6.584 -8.960 1.935 1.00 0.00 O ATOM 389 CB LYS B 26 -8.190 -9.270 4.132 1.00 0.00 C ATOM 390 CG LYS B 26 -9.091 -9.282 5.343 1.00 0.00 C ATOM 391 CD LYS B 26 -9.043 -10.635 6.021 1.00 0.00 C ATOM 392 CE LYS B 26 -9.870 -11.679 5.279 1.00 0.00 C ATOM 393 NZ LYS B 26 -9.520 -13.063 5.696 1.00 0.00 N1+ ATOM 0 H LYS B 26 -9.696 -7.629 3.076 1.00 0.00 H new ATOM 0 HA LYS B 26 -7.339 -7.352 4.599 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -8.718 -9.724 3.293 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -7.318 -9.892 4.334 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -8.781 -8.506 6.043 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.114 -9.053 5.046 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -8.008 -10.971 6.085 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -9.411 -10.541 7.043 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -10.929 -11.501 5.464 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -9.711 -11.572 4.206 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.104 -13.743 5.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -8.515 -13.242 5.496 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -9.696 -13.173 6.715 1.00 0.00 H new ATOM 407 N LEU B 27 -5.686 -7.084 2.744 1.00 0.00 N ATOM 408 CA LEU B 27 -4.606 -7.052 1.819 1.00 0.00 C ATOM 409 C LEU B 27 -3.321 -7.436 2.542 1.00 0.00 C ATOM 410 O LEU B 27 -2.658 -6.603 3.162 1.00 0.00 O ATOM 411 CB LEU B 27 -4.527 -5.656 1.211 1.00 0.00 C ATOM 412 CG LEU B 27 -3.329 -5.429 0.325 1.00 0.00 C ATOM 413 CD1 LEU B 27 -3.431 -6.266 -0.940 1.00 0.00 C ATOM 414 CD2 LEU B 27 -3.173 -3.954 -0.011 1.00 0.00 C ATOM 0 H LEU B 27 -5.673 -6.325 3.425 1.00 0.00 H new ATOM 0 HA LEU B 27 -4.757 -7.766 1.010 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -5.432 -5.474 0.631 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -4.512 -4.922 2.017 1.00 0.00 H new ATOM 0 HG LEU B 27 -2.439 -5.744 0.870 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -2.557 -6.088 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -3.478 -7.322 -0.675 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -4.332 -5.989 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -2.302 -3.817 -0.651 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -4.064 -3.603 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -3.041 -3.383 0.908 1.00 0.00 H new ATOM 426 N SER B 28 -3.008 -8.716 2.487 1.00 0.00 N ATOM 427 CA SER B 28 -1.856 -9.265 3.172 1.00 0.00 C ATOM 428 C SER B 28 -0.594 -9.024 2.357 1.00 0.00 C ATOM 429 O SER B 28 -0.376 -9.669 1.334 1.00 0.00 O ATOM 430 CB SER B 28 -2.065 -10.762 3.394 1.00 0.00 C ATOM 431 OG SER B 28 -3.288 -11.004 4.075 1.00 0.00 O ATOM 0 H SER B 28 -3.548 -9.406 1.964 1.00 0.00 H new ATOM 0 HA SER B 28 -1.741 -8.771 4.137 1.00 0.00 H new ATOM 0 HB2 SER B 28 -2.069 -11.280 2.435 1.00 0.00 H new ATOM 0 HB3 SER B 28 -1.235 -11.168 3.972 1.00 0.00 H new ATOM 0 HG SER B 28 -3.404 -11.968 4.206 1.00 0.00 H new ATOM 437 N LEU B 29 0.219 -8.079 2.804 1.00 0.00 N ATOM 438 CA LEU B 29 1.443 -7.738 2.099 1.00 0.00 C ATOM 439 C LEU B 29 2.558 -8.718 2.410 1.00 0.00 C ATOM 440 O LEU B 29 2.485 -9.511 3.348 1.00 0.00 O ATOM 441 CB LEU B 29 1.920 -6.325 2.445 1.00 0.00 C ATOM 442 CG LEU B 29 1.295 -5.182 1.635 1.00 0.00 C ATOM 443 CD1 LEU B 29 -0.186 -5.049 1.931 1.00 0.00 C ATOM 444 CD2 LEU B 29 2.016 -3.874 1.920 1.00 0.00 C ATOM 0 H LEU B 29 0.053 -7.536 3.651 1.00 0.00 H new ATOM 0 HA LEU B 29 1.206 -7.787 1.036 1.00 0.00 H new ATOM 0 HB2 LEU B 29 1.721 -6.145 3.501 1.00 0.00 H new ATOM 0 HB3 LEU B 29 3.001 -6.287 2.314 1.00 0.00 H new ATOM 0 HG LEU B 29 1.406 -5.418 0.577 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -0.603 -4.231 1.343 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -0.694 -5.978 1.671 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -0.328 -4.842 2.992 1.00 0.00 H new ATOM 0 HD21 LEU B 29 1.561 -3.073 1.338 1.00 0.00 H new ATOM 0 HD22 LEU B 29 1.939 -3.640 2.982 1.00 0.00 H new ATOM 0 HD23 LEU B 29 3.066 -3.970 1.645 1.00 0.00 H new ATOM 456 N SER B 30 3.577 -8.651 1.588 1.00 0.00 N ATOM 457 CA SER B 30 4.789 -9.396 1.755 1.00 0.00 C ATOM 458 C SER B 30 5.944 -8.554 1.237 1.00 0.00 C ATOM 459 O SER B 30 5.790 -7.821 0.255 1.00 0.00 O ATOM 460 CB SER B 30 4.699 -10.698 0.998 1.00 0.00 C ATOM 461 OG SER B 30 3.610 -11.487 1.452 1.00 0.00 O ATOM 0 H SER B 30 3.580 -8.056 0.760 1.00 0.00 H new ATOM 0 HA SER B 30 4.949 -9.628 2.808 1.00 0.00 H new ATOM 0 HB2 SER B 30 4.584 -10.494 -0.067 1.00 0.00 H new ATOM 0 HB3 SER B 30 5.628 -11.255 1.117 1.00 0.00 H new ATOM 0 HG SER B 30 3.577 -12.323 0.942 1.00 0.00 H new ATOM 467 N MET B 31 7.087 -8.651 1.882 1.00 0.00 N ATOM 468 CA MET B 31 8.188 -7.742 1.601 1.00 0.00 C ATOM 469 C MET B 31 9.365 -8.486 0.994 1.00 0.00 C ATOM 470 O MET B 31 9.860 -9.457 1.566 1.00 0.00 O ATOM 471 CB MET B 31 8.625 -7.038 2.886 1.00 0.00 C ATOM 472 CG MET B 31 7.459 -6.529 3.720 1.00 0.00 C ATOM 473 SD MET B 31 7.982 -5.720 5.245 1.00 0.00 S ATOM 474 CE MET B 31 6.398 -5.442 6.034 1.00 0.00 C ATOM 0 H MET B 31 7.282 -9.346 2.603 1.00 0.00 H new ATOM 0 HA MET B 31 7.843 -7.000 0.881 1.00 0.00 H new ATOM 0 HB2 MET B 31 9.218 -7.728 3.486 1.00 0.00 H new ATOM 0 HB3 MET B 31 9.273 -6.200 2.630 1.00 0.00 H new ATOM 0 HG2 MET B 31 6.873 -5.828 3.126 1.00 0.00 H new ATOM 0 HG3 MET B 31 6.803 -7.364 3.965 1.00 0.00 H new ATOM 0 HE1 MET B 31 6.342 -4.412 6.385 1.00 0.00 H new ATOM 0 HE2 MET B 31 5.597 -5.625 5.317 1.00 0.00 H new ATOM 0 HE3 MET B 31 6.289 -6.120 6.880 1.00 0.00 H new ATOM 484 N ASN B 32 9.795 -8.039 -0.175 1.00 0.00 N ATOM 485 CA ASN B 32 10.961 -8.616 -0.824 1.00 0.00 C ATOM 486 C ASN B 32 11.732 -7.523 -1.562 1.00 0.00 C ATOM 487 O ASN B 32 11.920 -7.591 -2.775 1.00 0.00 O ATOM 488 CB ASN B 32 10.525 -9.733 -1.785 1.00 0.00 C ATOM 489 CG ASN B 32 11.639 -10.713 -2.134 1.00 0.00 C ATOM 490 OD1 ASN B 32 12.869 -10.236 -2.242 1.00 0.00 O flip ATOM 491 ND2 ASN B 32 11.382 -11.899 -2.327 1.00 0.00 N flip ATOM 0 H ASN B 32 9.354 -7.279 -0.693 1.00 0.00 H new ATOM 0 HA ASN B 32 11.620 -9.053 -0.073 1.00 0.00 H new ATOM 0 HB2 ASN B 32 9.697 -10.283 -1.337 1.00 0.00 H new ATOM 0 HB3 ASN B 32 10.149 -9.283 -2.704 1.00 0.00 H new ATOM 0 HD21 ASN B 32 10.423 -12.234 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN B 32 12.128 -12.548 -2.579 1.00 0.00 H new ATOM 498 N GLY B 33 12.182 -6.528 -0.796 1.00 0.00 N ATOM 499 CA GLY B 33 12.971 -5.424 -1.329 1.00 0.00 C ATOM 500 C GLY B 33 12.369 -4.779 -2.559 1.00 0.00 C ATOM 501 O GLY B 33 11.409 -4.021 -2.462 1.00 0.00 O ATOM 0 H GLY B 33 12.009 -6.468 0.207 1.00 0.00 H new ATOM 0 HA2 GLY B 33 13.088 -4.667 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY B 33 13.969 -5.788 -1.573 1.00 0.00 H new ATOM 505 N ASN B 34 12.930 -5.108 -3.718 1.00 0.00 N ATOM 506 CA ASN B 34 12.509 -4.515 -4.984 1.00 0.00 C ATOM 507 C ASN B 34 11.236 -5.163 -5.505 1.00 0.00 C ATOM 508 O ASN B 34 10.950 -5.096 -6.700 1.00 0.00 O ATOM 509 CB ASN B 34 13.608 -4.640 -6.046 1.00 0.00 C ATOM 510 CG ASN B 34 14.788 -3.721 -5.798 1.00 0.00 C ATOM 511 OD1 ASN B 34 15.123 -3.402 -4.657 1.00 0.00 O ATOM 512 ND2 ASN B 34 15.436 -3.288 -6.871 1.00 0.00 N ATOM 0 H ASN B 34 13.684 -5.789 -3.807 1.00 0.00 H new ATOM 0 HA ASN B 34 12.315 -3.460 -4.790 1.00 0.00 H new ATOM 0 HB2 ASN B 34 13.959 -5.671 -6.076 1.00 0.00 H new ATOM 0 HB3 ASN B 34 13.184 -4.419 -7.026 1.00 0.00 H new ATOM 0 HD21 ASN B 34 16.241 -2.670 -6.766 1.00 0.00 H new ATOM 0 HD22 ASN B 34 15.130 -3.573 -7.801 1.00 0.00 H new ATOM 519 N GLN B 35 10.502 -5.827 -4.621 1.00 0.00 N ATOM 520 CA GLN B 35 9.197 -6.358 -4.946 1.00 0.00 C ATOM 521 C GLN B 35 8.238 -6.143 -3.798 1.00 0.00 C ATOM 522 O GLN B 35 8.618 -6.203 -2.624 1.00 0.00 O ATOM 523 CB GLN B 35 9.273 -7.844 -5.248 1.00 0.00 C ATOM 524 CG GLN B 35 10.266 -8.169 -6.335 1.00 0.00 C ATOM 525 CD GLN B 35 10.307 -9.641 -6.680 1.00 0.00 C ATOM 526 OE1 GLN B 35 9.552 -10.116 -7.529 1.00 0.00 O ATOM 527 NE2 GLN B 35 11.205 -10.371 -6.039 1.00 0.00 N ATOM 0 H GLN B 35 10.799 -6.009 -3.662 1.00 0.00 H new ATOM 0 HA GLN B 35 8.839 -5.830 -5.830 1.00 0.00 H new ATOM 0 HB2 GLN B 35 9.546 -8.381 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN B 35 8.287 -8.201 -5.545 1.00 0.00 H new ATOM 0 HG2 GLN B 35 10.016 -7.599 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN B 35 11.259 -7.848 -6.020 1.00 0.00 H new ATOM 0 HE21 GLN B 35 11.811 -9.938 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN B 35 11.291 -11.367 -6.241 1.00 0.00 H new ATOM 536 N LEU B 36 6.995 -5.921 -4.149 1.00 0.00 N ATOM 537 CA LEU B 36 5.936 -5.770 -3.170 1.00 0.00 C ATOM 538 C LEU B 36 4.804 -6.700 -3.553 1.00 0.00 C ATOM 539 O LEU B 36 4.203 -6.568 -4.617 1.00 0.00 O ATOM 540 CB LEU B 36 5.454 -4.315 -3.101 1.00 0.00 C ATOM 541 CG LEU B 36 4.739 -3.893 -1.803 1.00 0.00 C ATOM 542 CD1 LEU B 36 3.381 -4.566 -1.666 1.00 0.00 C ATOM 543 CD2 LEU B 36 5.607 -4.193 -0.589 1.00 0.00 C ATOM 0 H LEU B 36 6.685 -5.839 -5.117 1.00 0.00 H new ATOM 0 HA LEU B 36 6.308 -6.028 -2.179 1.00 0.00 H new ATOM 0 HB2 LEU B 36 6.315 -3.662 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU B 36 4.777 -4.139 -3.937 1.00 0.00 H new ATOM 0 HG LEU B 36 4.572 -2.817 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.907 -4.244 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU B 36 2.751 -4.289 -2.511 1.00 0.00 H new ATOM 0 HD13 LEU B 36 3.511 -5.648 -1.650 1.00 0.00 H new ATOM 0 HD21 LEU B 36 5.084 -3.887 0.317 1.00 0.00 H new ATOM 0 HD22 LEU B 36 5.814 -5.262 -0.545 1.00 0.00 H new ATOM 0 HD23 LEU B 36 6.546 -3.644 -0.668 1.00 0.00 H new ATOM 555 N LYS B 37 4.537 -7.650 -2.686 1.00 0.00 N ATOM 556 CA LYS B 37 3.592 -8.713 -2.975 1.00 0.00 C ATOM 557 C LYS B 37 2.449 -8.633 -1.978 1.00 0.00 C ATOM 558 O LYS B 37 2.660 -8.196 -0.849 1.00 0.00 O ATOM 559 CB LYS B 37 4.318 -10.059 -2.878 1.00 0.00 C ATOM 560 CG LYS B 37 5.809 -9.948 -3.193 1.00 0.00 C ATOM 561 CD LYS B 37 6.544 -11.264 -3.029 1.00 0.00 C ATOM 562 CE LYS B 37 6.020 -12.328 -3.981 1.00 0.00 C ATOM 563 NZ LYS B 37 6.755 -13.612 -3.841 1.00 0.00 N1+ ATOM 0 H LYS B 37 4.965 -7.711 -1.762 1.00 0.00 H new ATOM 0 HA LYS B 37 3.184 -8.611 -3.981 1.00 0.00 H new ATOM 0 HB2 LYS B 37 4.192 -10.464 -1.874 1.00 0.00 H new ATOM 0 HB3 LYS B 37 3.857 -10.767 -3.567 1.00 0.00 H new ATOM 0 HG2 LYS B 37 5.934 -9.592 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS B 37 6.259 -9.202 -2.539 1.00 0.00 H new ATOM 0 HD2 LYS B 37 7.608 -11.110 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS B 37 6.440 -11.613 -2.002 1.00 0.00 H new ATOM 0 HE2 LYS B 37 4.960 -12.495 -3.790 1.00 0.00 H new ATOM 0 HE3 LYS B 37 6.107 -11.971 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 37 6.366 -14.309 -4.508 1.00 0.00 H new ATOM 0 HZ2 LYS B 37 7.763 -13.460 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS B 37 6.651 -13.967 -2.869 1.00 0.00 H new ATOM 577 N ALA B 38 1.246 -9.026 -2.382 1.00 0.00 N ATOM 578 CA ALA B 38 0.085 -8.901 -1.507 1.00 0.00 C ATOM 579 C ALA B 38 -1.137 -9.614 -2.071 1.00 0.00 C ATOM 580 O ALA B 38 -1.346 -9.644 -3.287 1.00 0.00 O ATOM 581 CB ALA B 38 -0.237 -7.433 -1.275 1.00 0.00 C ATOM 0 H ALA B 38 1.050 -9.429 -3.298 1.00 0.00 H new ATOM 0 HA ALA B 38 0.338 -9.378 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -1.105 -7.350 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA B 38 0.617 -6.942 -0.809 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -0.455 -6.953 -2.229 1.00 0.00 H new ATOM 587 N THR B 39 -1.948 -10.173 -1.179 1.00 0.00 N ATOM 588 CA THR B 39 -3.192 -10.814 -1.557 1.00 0.00 C ATOM 589 C THR B 39 -4.348 -10.158 -0.817 1.00 0.00 C ATOM 590 O THR B 39 -4.209 -9.797 0.350 1.00 0.00 O ATOM 591 CB THR B 39 -3.164 -12.318 -1.238 1.00 0.00 C ATOM 592 OG1 THR B 39 -2.693 -12.532 0.100 1.00 0.00 O ATOM 593 CG2 THR B 39 -2.282 -13.071 -2.221 1.00 0.00 C ATOM 0 H THR B 39 -1.758 -10.192 -0.177 1.00 0.00 H new ATOM 0 HA THR B 39 -3.323 -10.696 -2.633 1.00 0.00 H new ATOM 0 HB THR B 39 -4.181 -12.699 -1.328 1.00 0.00 H new ATOM 0 HG1 THR B 39 -2.681 -13.493 0.293 1.00 0.00 H new ATOM 0 HG21 THR B 39 -2.281 -14.132 -1.971 1.00 0.00 H new ATOM 0 HG22 THR B 39 -2.667 -12.937 -3.232 1.00 0.00 H new ATOM 0 HG23 THR B 39 -1.264 -12.685 -2.166 1.00 0.00 H new ATOM 601 N SER B 40 -5.481 -9.990 -1.476 1.00 0.00 N ATOM 602 CA SER B 40 -6.582 -9.264 -0.870 1.00 0.00 C ATOM 603 C SER B 40 -7.851 -10.102 -0.796 1.00 0.00 C ATOM 604 O SER B 40 -8.107 -10.955 -1.648 1.00 0.00 O ATOM 605 CB SER B 40 -6.845 -7.960 -1.622 1.00 0.00 C ATOM 606 OG SER B 40 -7.821 -7.169 -0.965 1.00 0.00 O ATOM 0 H SER B 40 -5.661 -10.341 -2.417 1.00 0.00 H new ATOM 0 HA SER B 40 -6.288 -9.030 0.153 1.00 0.00 H new ATOM 0 HB2 SER B 40 -5.917 -7.396 -1.710 1.00 0.00 H new ATOM 0 HB3 SER B 40 -7.179 -8.184 -2.635 1.00 0.00 H new ATOM 0 HG SER B 40 -7.381 -6.572 -0.324 1.00 0.00 H new ATOM 612 N SER B 41 -8.626 -9.854 0.247 1.00 0.00 N ATOM 613 CA SER B 41 -9.901 -10.516 0.442 1.00 0.00 C ATOM 614 C SER B 41 -10.971 -9.487 0.771 1.00 0.00 C ATOM 615 O SER B 41 -10.673 -8.375 1.215 1.00 0.00 O ATOM 616 CB SER B 41 -9.796 -11.562 1.549 1.00 0.00 C ATOM 617 OG SER B 41 -11.028 -12.232 1.756 1.00 0.00 O ATOM 0 H SER B 41 -8.387 -9.188 0.981 1.00 0.00 H new ATOM 0 HA SER B 41 -10.180 -11.028 -0.479 1.00 0.00 H new ATOM 0 HB2 SER B 41 -9.025 -12.289 1.291 1.00 0.00 H new ATOM 0 HB3 SER B 41 -9.483 -11.081 2.476 1.00 0.00 H new ATOM 0 HG SER B 41 -10.924 -12.895 2.470 1.00 0.00 H new ATOM 623 N ASN B 42 -12.214 -9.882 0.587 1.00 0.00 N ATOM 624 CA ASN B 42 -13.339 -8.969 0.683 1.00 0.00 C ATOM 625 C ASN B 42 -14.210 -9.339 1.863 1.00 0.00 C ATOM 626 O ASN B 42 -15.427 -9.156 1.841 1.00 0.00 O ATOM 627 CB ASN B 42 -14.172 -8.973 -0.604 1.00 0.00 C ATOM 628 CG ASN B 42 -13.433 -8.383 -1.789 1.00 0.00 C ATOM 629 OD1 ASN B 42 -13.471 -7.172 -2.017 1.00 0.00 O ATOM 630 ND2 ASN B 42 -12.767 -9.228 -2.558 1.00 0.00 N ATOM 0 H ASN B 42 -12.475 -10.843 0.367 1.00 0.00 H new ATOM 0 HA ASN B 42 -12.944 -7.963 0.827 1.00 0.00 H new ATOM 0 HB2 ASN B 42 -14.464 -9.997 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN B 42 -15.090 -8.409 -0.438 1.00 0.00 H new ATOM 0 HD21 ASN B 42 -12.260 -8.884 -3.374 1.00 0.00 H new ATOM 0 HD22 ASN B 42 -12.760 -10.223 -2.335 1.00 0.00 H new ATOM 637 N ALA B 43 -13.569 -9.848 2.899 1.00 0.00 N ATOM 638 CA ALA B 43 -14.255 -10.250 4.126 1.00 0.00 C ATOM 639 C ALA B 43 -14.717 -9.049 4.953 1.00 0.00 C ATOM 640 O ALA B 43 -14.914 -9.156 6.162 1.00 0.00 O ATOM 641 CB ALA B 43 -13.347 -11.129 4.962 1.00 0.00 C ATOM 0 H ALA B 43 -12.560 -9.997 2.920 1.00 0.00 H new ATOM 0 HA ALA B 43 -15.145 -10.807 3.832 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -13.865 -11.424 5.874 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -13.078 -12.019 4.393 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -12.443 -10.577 5.221 1.00 0.00 H new ATOM 647 N GLY B 44 -14.871 -7.908 4.303 1.00 0.00 N ATOM 648 CA GLY B 44 -15.273 -6.705 4.992 1.00 0.00 C ATOM 649 C GLY B 44 -15.043 -5.477 4.145 1.00 0.00 C ATOM 650 O GLY B 44 -15.915 -4.618 4.043 1.00 0.00 O ATOM 0 H GLY B 44 -14.723 -7.795 3.300 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -16.328 -6.772 5.258 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -14.715 -6.615 5.924 1.00 0.00 H new ATOM 654 N TYR B 45 -13.874 -5.437 3.506 1.00 0.00 N ATOM 655 CA TYR B 45 -13.411 -4.309 2.709 1.00 0.00 C ATOM 656 C TYR B 45 -13.612 -2.958 3.408 1.00 0.00 C ATOM 657 O TYR B 45 -13.711 -2.899 4.626 1.00 0.00 O ATOM 658 CB TYR B 45 -13.997 -4.333 1.294 1.00 0.00 C ATOM 659 CG TYR B 45 -15.502 -4.121 1.168 1.00 0.00 C ATOM 660 CD1 TYR B 45 -16.057 -2.845 1.165 1.00 0.00 C ATOM 661 CD2 TYR B 45 -16.361 -5.203 1.027 1.00 0.00 C ATOM 662 CE1 TYR B 45 -17.419 -2.653 1.031 1.00 0.00 C ATOM 663 CE2 TYR B 45 -17.726 -5.021 0.895 1.00 0.00 C ATOM 664 CZ TYR B 45 -18.249 -3.745 0.897 1.00 0.00 C ATOM 665 OH TYR B 45 -19.607 -3.559 0.761 1.00 0.00 O ATOM 0 H TYR B 45 -13.208 -6.209 3.531 1.00 0.00 H new ATOM 0 HA TYR B 45 -12.332 -4.426 2.607 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -13.496 -3.564 0.706 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -13.750 -5.293 0.841 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -15.410 -1.987 1.270 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -15.956 -6.204 1.020 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -17.830 -1.654 1.031 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -18.379 -5.875 0.791 1.00 0.00 H new ATOM 0 HH TYR B 45 -20.050 -4.429 0.676 1.00 0.00 H new ATOM 675 N GLY B 46 -13.594 -1.875 2.651 1.00 0.00 N ATOM 676 CA GLY B 46 -13.674 -0.556 3.241 1.00 0.00 C ATOM 677 C GLY B 46 -15.039 -0.217 3.829 1.00 0.00 C ATOM 678 O GLY B 46 -15.963 0.138 3.098 1.00 0.00 O ATOM 0 H GLY B 46 -13.525 -1.885 1.633 1.00 0.00 H new ATOM 0 HA2 GLY B 46 -12.922 -0.475 4.026 1.00 0.00 H new ATOM 0 HA3 GLY B 46 -13.423 0.185 2.482 1.00 0.00 H new ATOM 682 N ILE B 47 -15.174 -0.352 5.152 1.00 0.00 N ATOM 683 CA ILE B 47 -16.362 0.135 5.857 1.00 0.00 C ATOM 684 C ILE B 47 -15.958 1.168 6.890 1.00 0.00 C ATOM 685 O ILE B 47 -16.496 2.274 6.927 1.00 0.00 O ATOM 686 CB ILE B 47 -17.138 -0.958 6.618 1.00 0.00 C ATOM 687 CG1 ILE B 47 -16.837 -2.355 6.093 1.00 0.00 C ATOM 688 CG2 ILE B 47 -18.624 -0.675 6.542 1.00 0.00 C ATOM 689 CD1 ILE B 47 -15.640 -2.995 6.760 1.00 0.00 C ATOM 0 H ILE B 47 -14.478 -0.793 5.754 1.00 0.00 H new ATOM 0 HA ILE B 47 -17.007 0.540 5.077 1.00 0.00 H new ATOM 0 HB ILE B 47 -16.811 -0.933 7.657 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -17.711 -2.989 6.243 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -16.662 -2.303 5.018 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -19.170 -1.449 7.081 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -18.833 0.296 6.991 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -18.940 -0.667 5.499 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -15.478 -3.988 6.342 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -14.756 -2.381 6.588 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -15.822 -3.078 7.832 1.00 0.00 H new ATOM 701 N SER B 48 -15.031 0.751 7.757 1.00 0.00 N ATOM 702 CA SER B 48 -14.442 1.610 8.783 1.00 0.00 C ATOM 703 C SER B 48 -14.225 3.021 8.263 1.00 0.00 C ATOM 704 O SER B 48 -14.736 3.997 8.814 1.00 0.00 O ATOM 705 CB SER B 48 -13.108 1.022 9.214 1.00 0.00 C ATOM 706 OG SER B 48 -13.249 -0.330 9.616 1.00 0.00 O ATOM 0 H SER B 48 -14.666 -0.202 7.765 1.00 0.00 H new ATOM 0 HA SER B 48 -15.128 1.661 9.628 1.00 0.00 H new ATOM 0 HB2 SER B 48 -12.396 1.087 8.391 1.00 0.00 H new ATOM 0 HB3 SER B 48 -12.698 1.608 10.037 1.00 0.00 H new ATOM 0 HG SER B 48 -12.376 -0.684 9.886 1.00 0.00 H new ATOM 712 N TYR B 49 -13.459 3.107 7.198 1.00 0.00 N ATOM 713 CA TYR B 49 -13.273 4.352 6.488 1.00 0.00 C ATOM 714 C TYR B 49 -14.106 4.288 5.222 1.00 0.00 C ATOM 715 O TYR B 49 -13.843 3.476 4.338 1.00 0.00 O ATOM 716 CB TYR B 49 -11.795 4.568 6.155 1.00 0.00 C ATOM 717 CG TYR B 49 -10.877 4.414 7.348 1.00 0.00 C ATOM 718 CD1 TYR B 49 -11.016 5.222 8.470 1.00 0.00 C ATOM 719 CD2 TYR B 49 -9.879 3.450 7.356 1.00 0.00 C ATOM 720 CE1 TYR B 49 -10.184 5.074 9.564 1.00 0.00 C ATOM 721 CE2 TYR B 49 -9.043 3.295 8.445 1.00 0.00 C ATOM 722 CZ TYR B 49 -9.199 4.109 9.547 1.00 0.00 C ATOM 723 OH TYR B 49 -8.369 3.955 10.634 1.00 0.00 O ATOM 0 H TYR B 49 -12.949 2.318 6.801 1.00 0.00 H new ATOM 0 HA TYR B 49 -13.590 5.192 7.106 1.00 0.00 H new ATOM 0 HB2 TYR B 49 -11.497 3.858 5.384 1.00 0.00 H new ATOM 0 HB3 TYR B 49 -11.668 5.566 5.735 1.00 0.00 H new ATOM 0 HD1 TYR B 49 -11.787 5.978 8.488 1.00 0.00 H new ATOM 0 HD2 TYR B 49 -9.753 2.809 6.496 1.00 0.00 H new ATOM 0 HE1 TYR B 49 -10.305 5.711 10.428 1.00 0.00 H new ATOM 0 HE2 TYR B 49 -8.271 2.540 8.433 1.00 0.00 H new ATOM 0 HH TYR B 49 -8.848 4.209 11.450 1.00 0.00 H new ATOM 733 N GLU B 50 -15.131 5.126 5.167 1.00 0.00 N ATOM 734 CA GLU B 50 -16.128 5.047 4.114 1.00 0.00 C ATOM 735 C GLU B 50 -15.545 5.419 2.763 1.00 0.00 C ATOM 736 O GLU B 50 -15.763 4.718 1.777 1.00 0.00 O ATOM 737 CB GLU B 50 -17.313 5.953 4.431 1.00 0.00 C ATOM 738 CG GLU B 50 -17.913 5.703 5.799 1.00 0.00 C ATOM 739 CD GLU B 50 -19.219 6.437 5.995 1.00 0.00 C ATOM 740 OE1 GLU B 50 -19.187 7.615 6.405 1.00 0.00 O ATOM 741 OE2 GLU B 50 -20.287 5.843 5.729 1.00 0.00 O1- ATOM 0 H GLU B 50 -15.293 5.872 5.844 1.00 0.00 H new ATOM 0 HA GLU B 50 -16.468 4.013 4.064 1.00 0.00 H new ATOM 0 HB2 GLU B 50 -16.993 6.993 4.368 1.00 0.00 H new ATOM 0 HB3 GLU B 50 -18.083 5.810 3.673 1.00 0.00 H new ATOM 0 HG2 GLU B 50 -18.076 4.634 5.932 1.00 0.00 H new ATOM 0 HG3 GLU B 50 -17.205 6.015 6.567 1.00 0.00 H new ATOM 748 N ASP B 51 -14.830 6.536 2.709 1.00 0.00 N ATOM 749 CA ASP B 51 -14.215 6.967 1.461 1.00 0.00 C ATOM 750 C ASP B 51 -13.201 8.081 1.695 1.00 0.00 C ATOM 751 O ASP B 51 -13.562 9.194 2.074 1.00 0.00 O ATOM 752 CB ASP B 51 -15.288 7.440 0.484 1.00 0.00 C ATOM 753 CG ASP B 51 -14.731 7.688 -0.897 1.00 0.00 C ATOM 754 OD1 ASP B 51 -14.167 6.742 -1.485 1.00 0.00 O1- ATOM 755 OD2 ASP B 51 -14.843 8.825 -1.398 1.00 0.00 O ATOM 0 H ASP B 51 -14.663 7.153 3.504 1.00 0.00 H new ATOM 0 HA ASP B 51 -13.687 6.113 1.036 1.00 0.00 H new ATOM 0 HB2 ASP B 51 -16.079 6.693 0.426 1.00 0.00 H new ATOM 0 HB3 ASP B 51 -15.742 8.356 0.861 1.00 0.00 H new ATOM 760 N LYS B 52 -11.932 7.764 1.480 1.00 0.00 N ATOM 761 CA LYS B 52 -10.853 8.738 1.605 1.00 0.00 C ATOM 762 C LYS B 52 -9.938 8.655 0.390 1.00 0.00 C ATOM 763 O LYS B 52 -9.682 7.561 -0.116 1.00 0.00 O ATOM 764 CB LYS B 52 -10.037 8.474 2.869 1.00 0.00 C ATOM 765 CG LYS B 52 -10.845 8.554 4.154 1.00 0.00 C ATOM 766 CD LYS B 52 -9.989 8.237 5.368 1.00 0.00 C ATOM 767 CE LYS B 52 -10.782 8.361 6.661 1.00 0.00 C ATOM 768 NZ LYS B 52 -11.273 9.747 6.889 1.00 0.00 N1+ ATOM 0 H LYS B 52 -11.621 6.829 1.215 1.00 0.00 H new ATOM 0 HA LYS B 52 -11.293 9.733 1.667 1.00 0.00 H new ATOM 0 HB2 LYS B 52 -9.585 7.485 2.797 1.00 0.00 H new ATOM 0 HB3 LYS B 52 -9.221 9.195 2.920 1.00 0.00 H new ATOM 0 HG2 LYS B 52 -11.269 9.553 4.257 1.00 0.00 H new ATOM 0 HG3 LYS B 52 -11.681 7.856 4.104 1.00 0.00 H new ATOM 0 HD2 LYS B 52 -9.592 7.226 5.280 1.00 0.00 H new ATOM 0 HD3 LYS B 52 -9.135 8.913 5.398 1.00 0.00 H new ATOM 0 HE2 LYS B 52 -11.630 7.677 6.632 1.00 0.00 H new ATOM 0 HE3 LYS B 52 -10.156 8.057 7.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 52 -11.595 9.844 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS B 52 -10.503 10.422 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS B 52 -12.065 9.945 6.245 1.00 0.00 H new ATOM 782 N ASN B 53 -9.452 9.801 -0.075 1.00 0.00 N ATOM 783 CA ASN B 53 -8.586 9.841 -1.246 1.00 0.00 C ATOM 784 C ASN B 53 -7.135 9.950 -0.808 1.00 0.00 C ATOM 785 O ASN B 53 -6.734 10.970 -0.241 1.00 0.00 O ATOM 786 CB ASN B 53 -8.889 11.050 -2.145 1.00 0.00 C ATOM 787 CG ASN B 53 -10.343 11.497 -2.163 1.00 0.00 C ATOM 788 OD1 ASN B 53 -11.267 10.712 -1.978 1.00 0.00 O ATOM 789 ND2 ASN B 53 -10.553 12.780 -2.403 1.00 0.00 N ATOM 0 H ASN B 53 -9.643 10.713 0.341 1.00 0.00 H new ATOM 0 HA ASN B 53 -8.766 8.923 -1.806 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -8.272 11.888 -1.820 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -8.587 10.809 -3.164 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -11.506 13.143 -2.438 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -9.762 13.407 -2.553 1.00 0.00 H new ATOM 796 N TRP B 54 -6.338 8.926 -1.067 1.00 0.00 N ATOM 797 CA TRP B 54 -4.929 8.990 -0.746 1.00 0.00 C ATOM 798 C TRP B 54 -4.113 8.066 -1.643 1.00 0.00 C ATOM 799 O TRP B 54 -4.665 7.214 -2.344 1.00 0.00 O ATOM 800 CB TRP B 54 -4.697 8.703 0.740 1.00 0.00 C ATOM 801 CG TRP B 54 -4.885 7.286 1.185 1.00 0.00 C ATOM 802 CD1 TRP B 54 -6.063 6.638 1.425 1.00 0.00 C ATOM 803 CD2 TRP B 54 -3.842 6.358 1.491 1.00 0.00 C ATOM 804 NE1 TRP B 54 -5.815 5.355 1.856 1.00 0.00 N ATOM 805 CE2 TRP B 54 -4.457 5.159 1.901 1.00 0.00 C ATOM 806 CE3 TRP B 54 -2.443 6.423 1.450 1.00 0.00 C ATOM 807 CZ2 TRP B 54 -3.720 4.037 2.271 1.00 0.00 C ATOM 808 CZ3 TRP B 54 -1.718 5.307 1.816 1.00 0.00 C ATOM 809 CH2 TRP B 54 -2.356 4.129 2.221 1.00 0.00 C ATOM 0 H TRP B 54 -6.642 8.051 -1.494 1.00 0.00 H new ATOM 0 HA TRP B 54 -4.581 10.005 -0.940 1.00 0.00 H new ATOM 0 HB2 TRP B 54 -3.681 9.007 0.991 1.00 0.00 H new ATOM 0 HB3 TRP B 54 -5.371 9.334 1.319 1.00 0.00 H new ATOM 0 HD1 TRP B 54 -7.045 7.069 1.296 1.00 0.00 H new ATOM 0 HE1 TRP B 54 -6.523 4.663 2.102 1.00 0.00 H new ATOM 0 HE3 TRP B 54 -1.942 7.328 1.138 1.00 0.00 H new ATOM 0 HZ2 TRP B 54 -4.208 3.127 2.586 1.00 0.00 H new ATOM 0 HZ3 TRP B 54 -0.639 5.343 1.789 1.00 0.00 H new ATOM 0 HH2 TRP B 54 -1.758 3.274 2.500 1.00 0.00 H new ATOM 820 N GLY B 55 -2.801 8.260 -1.639 1.00 0.00 N ATOM 821 CA GLY B 55 -1.936 7.527 -2.538 1.00 0.00 C ATOM 822 C GLY B 55 -0.696 6.991 -1.854 1.00 0.00 C ATOM 823 O GLY B 55 -0.213 7.573 -0.881 1.00 0.00 O ATOM 0 H GLY B 55 -2.319 8.916 -1.025 1.00 0.00 H new ATOM 0 HA2 GLY B 55 -2.492 6.697 -2.974 1.00 0.00 H new ATOM 0 HA3 GLY B 55 -1.639 8.178 -3.360 1.00 0.00 H new ATOM 827 N ILE B 56 -0.188 5.873 -2.355 1.00 0.00 N ATOM 828 CA ILE B 56 1.087 5.341 -1.904 1.00 0.00 C ATOM 829 C ILE B 56 2.144 5.577 -2.978 1.00 0.00 C ATOM 830 O ILE B 56 1.825 5.629 -4.171 1.00 0.00 O ATOM 831 CB ILE B 56 0.983 3.836 -1.601 1.00 0.00 C ATOM 832 CG1 ILE B 56 -0.223 3.573 -0.706 1.00 0.00 C ATOM 833 CG2 ILE B 56 2.253 3.328 -0.929 1.00 0.00 C ATOM 834 CD1 ILE B 56 -0.640 2.128 -0.678 1.00 0.00 C ATOM 0 H ILE B 56 -0.644 5.316 -3.078 1.00 0.00 H new ATOM 0 HA ILE B 56 1.370 5.855 -0.985 1.00 0.00 H new ATOM 0 HB ILE B 56 0.858 3.301 -2.542 1.00 0.00 H new ATOM 0 HG12 ILE B 56 0.009 3.897 0.309 1.00 0.00 H new ATOM 0 HG13 ILE B 56 -1.061 4.179 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE B 56 2.155 2.262 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE B 56 3.105 3.495 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE B 56 2.408 3.864 0.007 1.00 0.00 H new ATOM 0 HD11 ILE B 56 -1.503 2.011 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE B 56 -0.903 1.806 -1.685 1.00 0.00 H new ATOM 0 HD13 ILE B 56 0.184 1.519 -0.306 1.00 0.00 H new ATOM 846 N PHE B 57 3.391 5.729 -2.557 1.00 0.00 N ATOM 847 CA PHE B 57 4.466 6.120 -3.464 1.00 0.00 C ATOM 848 C PHE B 57 5.683 5.219 -3.294 1.00 0.00 C ATOM 849 O PHE B 57 6.033 4.855 -2.172 1.00 0.00 O ATOM 850 CB PHE B 57 4.798 7.594 -3.210 1.00 0.00 C ATOM 851 CG PHE B 57 3.562 8.442 -3.323 1.00 0.00 C ATOM 852 CD1 PHE B 57 3.111 8.858 -4.563 1.00 0.00 C ATOM 853 CD2 PHE B 57 2.811 8.759 -2.203 1.00 0.00 C ATOM 854 CE1 PHE B 57 1.944 9.579 -4.683 1.00 0.00 C ATOM 855 CE2 PHE B 57 1.634 9.469 -2.323 1.00 0.00 C ATOM 856 CZ PHE B 57 1.201 9.881 -3.563 1.00 0.00 C ATOM 0 H PHE B 57 3.686 5.588 -1.591 1.00 0.00 H new ATOM 0 HA PHE B 57 4.145 6.001 -4.499 1.00 0.00 H new ATOM 0 HB2 PHE B 57 5.234 7.708 -2.218 1.00 0.00 H new ATOM 0 HB3 PHE B 57 5.545 7.933 -3.928 1.00 0.00 H new ATOM 0 HD1 PHE B 57 3.681 8.614 -5.447 1.00 0.00 H new ATOM 0 HD2 PHE B 57 3.150 8.447 -1.226 1.00 0.00 H new ATOM 0 HE1 PHE B 57 1.611 9.908 -5.656 1.00 0.00 H new ATOM 0 HE2 PHE B 57 1.052 9.702 -1.443 1.00 0.00 H new ATOM 0 HZ PHE B 57 0.281 10.439 -3.658 1.00 0.00 H new ATOM 866 N VAL B 58 6.322 4.847 -4.411 1.00 0.00 N ATOM 867 CA VAL B 58 7.441 3.937 -4.364 1.00 0.00 C ATOM 868 C VAL B 58 8.638 4.569 -5.050 1.00 0.00 C ATOM 869 O VAL B 58 8.512 5.153 -6.127 1.00 0.00 O ATOM 870 CB VAL B 58 7.108 2.573 -5.011 1.00 0.00 C ATOM 871 CG1 VAL B 58 6.922 2.691 -6.519 1.00 0.00 C ATOM 872 CG2 VAL B 58 8.187 1.558 -4.678 1.00 0.00 C ATOM 0 H VAL B 58 6.074 5.168 -5.347 1.00 0.00 H new ATOM 0 HA VAL B 58 7.675 3.746 -3.317 1.00 0.00 H new ATOM 0 HB VAL B 58 6.160 2.230 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL B 58 6.689 1.711 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL B 58 6.104 3.379 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL B 58 7.840 3.068 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL B 58 7.941 0.601 -5.139 1.00 0.00 H new ATOM 0 HG22 VAL B 58 9.146 1.909 -5.059 1.00 0.00 H new ATOM 0 HG23 VAL B 58 8.249 1.434 -3.597 1.00 0.00 H new ATOM 882 N ASN B 59 9.790 4.484 -4.392 1.00 0.00 N ATOM 883 CA ASN B 59 11.023 5.117 -4.858 1.00 0.00 C ATOM 884 C ASN B 59 10.858 6.629 -4.862 1.00 0.00 C ATOM 885 O ASN B 59 11.740 7.362 -5.299 1.00 0.00 O ATOM 886 CB ASN B 59 11.409 4.637 -6.262 1.00 0.00 C ATOM 887 CG ASN B 59 11.206 3.150 -6.456 1.00 0.00 C ATOM 888 OD1 ASN B 59 10.084 2.804 -7.062 1.00 0.00 O flip ATOM 889 ND2 ASN B 59 12.050 2.333 -6.092 1.00 0.00 N flip ATOM 0 H ASN B 59 9.897 3.972 -3.516 1.00 0.00 H new ATOM 0 HA ASN B 59 11.822 4.834 -4.173 1.00 0.00 H new ATOM 0 HB2 ASN B 59 10.817 5.178 -7.000 1.00 0.00 H new ATOM 0 HB3 ASN B 59 12.454 4.883 -6.449 1.00 0.00 H new ATOM 0 HD21 ASN B 59 12.901 2.651 -5.628 1.00 0.00 H new ATOM 0 HD22 ASN B 59 11.899 1.337 -6.254 1.00 0.00 H new ATOM 896 N GLY B 60 9.721 7.084 -4.345 1.00 0.00 N ATOM 897 CA GLY B 60 9.409 8.487 -4.352 1.00 0.00 C ATOM 898 C GLY B 60 8.311 8.833 -5.348 1.00 0.00 C ATOM 899 O GLY B 60 7.761 9.935 -5.332 1.00 0.00 O ATOM 0 H GLY B 60 9.008 6.492 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY B 60 9.099 8.792 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY B 60 10.307 9.055 -4.594 1.00 0.00 H new ATOM 903 N GLU B 61 7.998 7.879 -6.211 1.00 0.00 N ATOM 904 CA GLU B 61 7.029 8.044 -7.276 1.00 0.00 C ATOM 905 C GLU B 61 5.713 7.427 -6.874 1.00 0.00 C ATOM 906 O GLU B 61 5.629 6.839 -5.829 1.00 0.00 O ATOM 907 CB GLU B 61 7.541 7.322 -8.503 1.00 0.00 C ATOM 908 CG GLU B 61 8.406 8.160 -9.425 1.00 0.00 C ATOM 909 CD GLU B 61 9.373 9.073 -8.698 1.00 0.00 C ATOM 910 OE1 GLU B 61 10.434 8.590 -8.255 1.00 0.00 O ATOM 911 OE2 GLU B 61 9.085 10.285 -8.585 1.00 0.00 O1- ATOM 0 H GLU B 61 8.421 6.951 -6.188 1.00 0.00 H new ATOM 0 HA GLU B 61 6.886 9.106 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU B 61 8.115 6.453 -8.182 1.00 0.00 H new ATOM 0 HB3 GLU B 61 6.688 6.949 -9.069 1.00 0.00 H new ATOM 0 HG2 GLU B 61 8.971 7.496 -10.080 1.00 0.00 H new ATOM 0 HG3 GLU B 61 7.761 8.764 -10.063 1.00 0.00 H new ATOM 918 N LYS B 62 4.695 7.533 -7.703 1.00 0.00 N ATOM 919 CA LYS B 62 3.435 6.851 -7.429 1.00 0.00 C ATOM 920 C LYS B 62 3.646 5.332 -7.381 1.00 0.00 C ATOM 921 O LYS B 62 4.668 4.822 -7.841 1.00 0.00 O ATOM 922 CB LYS B 62 2.409 7.207 -8.507 1.00 0.00 C ATOM 923 CG LYS B 62 0.999 6.724 -8.210 1.00 0.00 C ATOM 924 CD LYS B 62 0.326 7.591 -7.164 1.00 0.00 C ATOM 925 CE LYS B 62 0.307 9.042 -7.606 1.00 0.00 C ATOM 926 NZ LYS B 62 -0.493 9.904 -6.699 1.00 0.00 N1+ ATOM 0 H LYS B 62 4.708 8.078 -8.565 1.00 0.00 H new ATOM 0 HA LYS B 62 3.062 7.178 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS B 62 2.391 8.290 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS B 62 2.734 6.782 -9.457 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.409 6.733 -9.127 1.00 0.00 H new ATOM 0 HG3 LYS B 62 1.032 5.691 -7.862 1.00 0.00 H new ATOM 0 HD2 LYS B 62 -0.693 7.243 -6.996 1.00 0.00 H new ATOM 0 HD3 LYS B 62 0.854 7.501 -6.215 1.00 0.00 H new ATOM 0 HE2 LYS B 62 1.329 9.418 -7.651 1.00 0.00 H new ATOM 0 HE3 LYS B 62 -0.101 9.105 -8.615 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 -0.488 10.881 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 -1.472 9.554 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 -0.080 9.881 -5.745 1.00 0.00 H new ATOM 940 N VAL B 63 2.721 4.633 -6.744 1.00 0.00 N ATOM 941 CA VAL B 63 2.650 3.181 -6.851 1.00 0.00 C ATOM 942 C VAL B 63 1.223 2.699 -6.606 1.00 0.00 C ATOM 943 O VAL B 63 0.872 1.560 -6.913 1.00 0.00 O ATOM 944 CB VAL B 63 3.612 2.474 -5.864 1.00 0.00 C ATOM 945 CG1 VAL B 63 3.148 2.622 -4.425 1.00 0.00 C ATOM 946 CG2 VAL B 63 3.778 1.006 -6.227 1.00 0.00 C ATOM 0 H VAL B 63 2.006 5.047 -6.145 1.00 0.00 H new ATOM 0 HA VAL B 63 2.958 2.921 -7.864 1.00 0.00 H new ATOM 0 HB VAL B 63 4.583 2.962 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL B 63 3.848 2.113 -3.763 1.00 0.00 H new ATOM 0 HG12 VAL B 63 3.105 3.679 -4.164 1.00 0.00 H new ATOM 0 HG13 VAL B 63 2.158 2.180 -4.315 1.00 0.00 H new ATOM 0 HG21 VAL B 63 4.458 0.531 -5.520 1.00 0.00 H new ATOM 0 HG22 VAL B 63 2.808 0.510 -6.188 1.00 0.00 H new ATOM 0 HG23 VAL B 63 4.187 0.924 -7.234 1.00 0.00 H new ATOM 956 N TYR B 64 0.392 3.585 -6.070 1.00 0.00 N ATOM 957 CA TYR B 64 -0.951 3.210 -5.671 1.00 0.00 C ATOM 958 C TYR B 64 -1.822 4.447 -5.535 1.00 0.00 C ATOM 959 O TYR B 64 -1.412 5.449 -4.949 1.00 0.00 O ATOM 960 CB TYR B 64 -0.891 2.477 -4.334 1.00 0.00 C ATOM 961 CG TYR B 64 -1.749 1.235 -4.230 1.00 0.00 C ATOM 962 CD1 TYR B 64 -2.963 1.132 -4.891 1.00 0.00 C ATOM 963 CD2 TYR B 64 -1.337 0.160 -3.445 1.00 0.00 C ATOM 964 CE1 TYR B 64 -3.743 -0.004 -4.772 1.00 0.00 C ATOM 965 CE2 TYR B 64 -2.114 -0.975 -3.322 1.00 0.00 C ATOM 966 CZ TYR B 64 -3.316 -1.050 -3.985 1.00 0.00 C ATOM 967 OH TYR B 64 -4.097 -2.173 -3.862 1.00 0.00 O ATOM 0 H TYR B 64 0.627 4.564 -5.904 1.00 0.00 H new ATOM 0 HA TYR B 64 -1.382 2.558 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR B 64 0.145 2.199 -4.139 1.00 0.00 H new ATOM 0 HB3 TYR B 64 -1.189 3.170 -3.547 1.00 0.00 H new ATOM 0 HD1 TYR B 64 -3.305 1.950 -5.508 1.00 0.00 H new ATOM 0 HD2 TYR B 64 -0.393 0.215 -2.923 1.00 0.00 H new ATOM 0 HE1 TYR B 64 -4.685 -0.070 -5.295 1.00 0.00 H new ATOM 0 HE2 TYR B 64 -1.779 -1.799 -2.709 1.00 0.00 H new ATOM 0 HH TYR B 64 -3.652 -2.818 -3.273 1.00 0.00 H new ATOM 977 N THR B 65 -3.010 4.367 -6.090 1.00 0.00 N ATOM 978 CA THR B 65 -3.995 5.438 -6.002 1.00 0.00 C ATOM 979 C THR B 65 -5.379 4.827 -5.847 1.00 0.00 C ATOM 980 O THR B 65 -5.769 3.977 -6.654 1.00 0.00 O ATOM 981 CB THR B 65 -3.977 6.329 -7.262 1.00 0.00 C ATOM 982 OG1 THR B 65 -2.632 6.710 -7.581 1.00 0.00 O ATOM 983 CG2 THR B 65 -4.823 7.578 -7.060 1.00 0.00 C ATOM 0 H THR B 65 -3.328 3.556 -6.620 1.00 0.00 H new ATOM 0 HA THR B 65 -3.748 6.059 -5.141 1.00 0.00 H new ATOM 0 HB THR B 65 -4.397 5.752 -8.086 1.00 0.00 H new ATOM 0 HG1 THR B 65 -2.633 7.274 -8.383 1.00 0.00 H new ATOM 0 HG21 THR B 65 -4.793 8.188 -7.963 1.00 0.00 H new ATOM 0 HG22 THR B 65 -5.853 7.290 -6.851 1.00 0.00 H new ATOM 0 HG23 THR B 65 -4.430 8.152 -6.221 1.00 0.00 H new ATOM 991 N PHE B 66 -6.119 5.225 -4.819 1.00 0.00 N ATOM 992 CA PHE B 66 -7.384 4.604 -4.539 1.00 0.00 C ATOM 993 C PHE B 66 -8.209 5.402 -3.559 1.00 0.00 C ATOM 994 O PHE B 66 -7.831 6.479 -3.097 1.00 0.00 O ATOM 995 CB PHE B 66 -7.183 3.194 -3.974 1.00 0.00 C ATOM 996 CG PHE B 66 -6.110 3.049 -2.936 1.00 0.00 C ATOM 997 CD1 PHE B 66 -5.762 4.072 -2.070 1.00 0.00 C ATOM 998 CD2 PHE B 66 -5.455 1.851 -2.844 1.00 0.00 C ATOM 999 CE1 PHE B 66 -4.770 3.886 -1.131 1.00 0.00 C ATOM 1000 CE2 PHE B 66 -4.462 1.651 -1.910 1.00 0.00 C ATOM 1001 CZ PHE B 66 -4.117 2.672 -1.050 1.00 0.00 C ATOM 0 H PHE B 66 -5.857 5.972 -4.175 1.00 0.00 H new ATOM 0 HA PHE B 66 -7.920 4.557 -5.487 1.00 0.00 H new ATOM 0 HB2 PHE B 66 -8.126 2.859 -3.542 1.00 0.00 H new ATOM 0 HB3 PHE B 66 -6.954 2.522 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE B 66 -6.271 5.022 -2.131 1.00 0.00 H new ATOM 0 HD2 PHE B 66 -5.721 1.048 -3.515 1.00 0.00 H new ATOM 0 HE1 PHE B 66 -4.504 4.689 -0.459 1.00 0.00 H new ATOM 0 HE2 PHE B 66 -3.956 0.699 -1.852 1.00 0.00 H new ATOM 0 HZ PHE B 66 -3.339 2.523 -0.316 1.00 0.00 H new ATOM 1011 N ASN B 67 -9.337 4.817 -3.269 1.00 0.00 N ATOM 1012 CA ASN B 67 -10.276 5.305 -2.293 1.00 0.00 C ATOM 1013 C ASN B 67 -10.774 4.133 -1.467 1.00 0.00 C ATOM 1014 O ASN B 67 -10.907 3.018 -1.975 1.00 0.00 O ATOM 1015 CB ASN B 67 -11.442 5.993 -2.994 1.00 0.00 C ATOM 1016 CG ASN B 67 -11.280 7.495 -3.024 1.00 0.00 C ATOM 1017 OD1 ASN B 67 -10.647 8.053 -3.919 1.00 0.00 O ATOM 1018 ND2 ASN B 67 -11.884 8.161 -2.062 1.00 0.00 N ATOM 0 H ASN B 67 -9.641 3.955 -3.722 1.00 0.00 H new ATOM 0 HA ASN B 67 -9.791 6.031 -1.640 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -11.524 5.617 -4.014 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.372 5.739 -2.485 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -11.837 9.180 -2.040 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -12.399 7.658 -1.339 1.00 0.00 H new ATOM 1025 N GLU B 68 -11.034 4.391 -0.195 1.00 0.00 N ATOM 1026 CA GLU B 68 -11.458 3.358 0.745 1.00 0.00 C ATOM 1027 C GLU B 68 -12.744 2.658 0.294 1.00 0.00 C ATOM 1028 O GLU B 68 -12.952 1.486 0.599 1.00 0.00 O ATOM 1029 CB GLU B 68 -11.650 3.970 2.130 1.00 0.00 C ATOM 1030 CG GLU B 68 -10.367 4.519 2.739 1.00 0.00 C ATOM 1031 CD GLU B 68 -9.334 3.439 3.003 1.00 0.00 C ATOM 1032 OE1 GLU B 68 -9.730 2.317 3.389 1.00 0.00 O1- ATOM 1033 OE2 GLU B 68 -8.126 3.708 2.837 1.00 0.00 O ATOM 0 H GLU B 68 -10.958 5.321 0.217 1.00 0.00 H new ATOM 0 HA GLU B 68 -10.674 2.601 0.781 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -12.383 4.774 2.064 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -12.064 3.214 2.797 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -9.942 5.266 2.068 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -10.602 5.027 3.674 1.00 0.00 H new ATOM 1040 N LYS B 69 -13.594 3.374 -0.438 1.00 0.00 N ATOM 1041 CA LYS B 69 -14.833 2.797 -0.958 1.00 0.00 C ATOM 1042 C LYS B 69 -14.560 1.993 -2.227 1.00 0.00 C ATOM 1043 O LYS B 69 -15.304 1.074 -2.567 1.00 0.00 O ATOM 1044 CB LYS B 69 -15.855 3.894 -1.249 1.00 0.00 C ATOM 1045 CG LYS B 69 -17.225 3.358 -1.641 1.00 0.00 C ATOM 1046 CD LYS B 69 -18.240 4.475 -1.839 1.00 0.00 C ATOM 1047 CE LYS B 69 -17.866 5.386 -2.998 1.00 0.00 C ATOM 1048 NZ LYS B 69 -17.849 4.663 -4.297 1.00 0.00 N1+ ATOM 0 H LYS B 69 -13.449 4.353 -0.685 1.00 0.00 H new ATOM 0 HA LYS B 69 -15.240 2.129 -0.199 1.00 0.00 H new ATOM 0 HB2 LYS B 69 -15.959 4.526 -0.367 1.00 0.00 H new ATOM 0 HB3 LYS B 69 -15.478 4.527 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS B 69 -17.138 2.780 -2.561 1.00 0.00 H new ATOM 0 HG3 LYS B 69 -17.582 2.677 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS B 69 -19.224 4.043 -2.021 1.00 0.00 H new ATOM 0 HD3 LYS B 69 -18.314 5.064 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS B 69 -18.576 6.212 -3.053 1.00 0.00 H new ATOM 0 HE3 LYS B 69 -16.884 5.822 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS B 69 -17.792 5.350 -5.076 1.00 0.00 H new ATOM 0 HZ2 LYS B 69 -17.024 4.031 -4.332 1.00 0.00 H new ATOM 0 HZ3 LYS B 69 -18.719 4.102 -4.394 1.00 0.00 H new ATOM 1062 N SER B 70 -13.492 2.354 -2.926 1.00 0.00 N ATOM 1063 CA SER B 70 -13.048 1.608 -4.095 1.00 0.00 C ATOM 1064 C SER B 70 -12.532 0.236 -3.654 1.00 0.00 C ATOM 1065 O SER B 70 -12.674 -0.751 -4.376 1.00 0.00 O ATOM 1066 CB SER B 70 -11.962 2.404 -4.835 1.00 0.00 C ATOM 1067 OG SER B 70 -11.245 1.593 -5.748 1.00 0.00 O ATOM 0 H SER B 70 -12.914 3.164 -2.701 1.00 0.00 H new ATOM 0 HA SER B 70 -13.881 1.457 -4.782 1.00 0.00 H new ATOM 0 HB2 SER B 70 -12.422 3.235 -5.370 1.00 0.00 H new ATOM 0 HB3 SER B 70 -11.270 2.835 -4.111 1.00 0.00 H new ATOM 0 HG SER B 70 -10.564 2.133 -6.201 1.00 0.00 H new ATOM 1073 N THR B 71 -11.968 0.200 -2.443 1.00 0.00 N ATOM 1074 CA THR B 71 -11.512 -1.014 -1.780 1.00 0.00 C ATOM 1075 C THR B 71 -10.381 -1.718 -2.548 1.00 0.00 C ATOM 1076 O THR B 71 -10.508 -2.072 -3.730 1.00 0.00 O ATOM 1077 CB THR B 71 -12.673 -1.983 -1.487 1.00 0.00 C ATOM 1078 OG1 THR B 71 -13.076 -2.683 -2.672 1.00 0.00 O ATOM 1079 CG2 THR B 71 -13.871 -1.240 -0.918 1.00 0.00 C ATOM 0 H THR B 71 -11.814 1.040 -1.886 1.00 0.00 H new ATOM 0 HA THR B 71 -11.097 -0.697 -0.823 1.00 0.00 H new ATOM 0 HB THR B 71 -12.312 -2.703 -0.753 1.00 0.00 H new ATOM 0 HG1 THR B 71 -12.945 -2.106 -3.453 1.00 0.00 H new ATOM 0 HG21 THR B 71 -14.677 -1.947 -0.720 1.00 0.00 H new ATOM 0 HG22 THR B 71 -13.585 -0.746 0.011 1.00 0.00 H new ATOM 0 HG23 THR B 71 -14.211 -0.494 -1.636 1.00 0.00 H new ATOM 1087 N VAL B 72 -9.280 -1.943 -1.842 1.00 0.00 N ATOM 1088 CA VAL B 72 -8.026 -2.372 -2.456 1.00 0.00 C ATOM 1089 C VAL B 72 -8.115 -3.746 -3.119 1.00 0.00 C ATOM 1090 O VAL B 72 -7.205 -4.128 -3.842 1.00 0.00 O ATOM 1091 CB VAL B 72 -6.880 -2.388 -1.426 1.00 0.00 C ATOM 1092 CG1 VAL B 72 -6.787 -1.052 -0.708 1.00 0.00 C ATOM 1093 CG2 VAL B 72 -7.062 -3.526 -0.433 1.00 0.00 C ATOM 0 H VAL B 72 -9.229 -1.834 -0.829 1.00 0.00 H new ATOM 0 HA VAL B 72 -7.820 -1.639 -3.236 1.00 0.00 H new ATOM 0 HB VAL B 72 -5.944 -2.553 -1.959 1.00 0.00 H new ATOM 0 HG11 VAL B 72 -5.972 -1.083 0.015 1.00 0.00 H new ATOM 0 HG12 VAL B 72 -6.598 -0.261 -1.434 1.00 0.00 H new ATOM 0 HG13 VAL B 72 -7.725 -0.852 -0.189 1.00 0.00 H new ATOM 0 HG21 VAL B 72 -6.241 -3.518 0.284 1.00 0.00 H new ATOM 0 HG22 VAL B 72 -8.007 -3.400 0.095 1.00 0.00 H new ATOM 0 HG23 VAL B 72 -7.068 -4.477 -0.966 1.00 0.00 H new ATOM 1103 N GLY B 73 -9.201 -4.476 -2.886 1.00 0.00 N ATOM 1104 CA GLY B 73 -9.345 -5.798 -3.472 1.00 0.00 C ATOM 1105 C GLY B 73 -9.193 -5.788 -4.984 1.00 0.00 C ATOM 1106 O GLY B 73 -8.333 -6.476 -5.537 1.00 0.00 O ATOM 0 H GLY B 73 -9.983 -4.177 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY B 73 -8.599 -6.466 -3.040 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -10.323 -6.202 -3.212 1.00 0.00 H new ATOM 1110 N ASN B 74 -10.008 -4.984 -5.652 1.00 0.00 N ATOM 1111 CA ASN B 74 -9.970 -4.906 -7.108 1.00 0.00 C ATOM 1112 C ASN B 74 -8.773 -4.087 -7.560 1.00 0.00 C ATOM 1113 O ASN B 74 -8.188 -4.334 -8.617 1.00 0.00 O ATOM 1114 CB ASN B 74 -11.257 -4.283 -7.657 1.00 0.00 C ATOM 1115 CG ASN B 74 -12.495 -4.976 -7.166 1.00 0.00 C ATOM 1116 OD1 ASN B 74 -12.887 -6.028 -7.671 1.00 0.00 O ATOM 1117 ND2 ASN B 74 -13.140 -4.366 -6.193 1.00 0.00 N ATOM 0 H ASN B 74 -10.701 -4.378 -5.213 1.00 0.00 H new ATOM 0 HA ASN B 74 -9.881 -5.920 -7.497 1.00 0.00 H new ATOM 0 HB2 ASN B 74 -11.297 -3.232 -7.371 1.00 0.00 H new ATOM 0 HB3 ASN B 74 -11.235 -4.316 -8.746 1.00 0.00 H new ATOM 0 HD21 ASN B 74 -14.004 -4.764 -5.826 1.00 0.00 H new ATOM 0 HD22 ASN B 74 -12.775 -3.495 -5.807 1.00 0.00 H new ATOM 1124 N ILE B 75 -8.399 -3.120 -6.739 1.00 0.00 N ATOM 1125 CA ILE B 75 -7.303 -2.220 -7.078 1.00 0.00 C ATOM 1126 C ILE B 75 -5.978 -2.968 -7.088 1.00 0.00 C ATOM 1127 O ILE B 75 -5.177 -2.834 -8.012 1.00 0.00 O ATOM 1128 CB ILE B 75 -7.190 -1.057 -6.082 1.00 0.00 C ATOM 1129 CG1 ILE B 75 -8.570 -0.648 -5.575 1.00 0.00 C ATOM 1130 CG2 ILE B 75 -6.494 0.120 -6.745 1.00 0.00 C ATOM 1131 CD1 ILE B 75 -8.531 0.448 -4.555 1.00 0.00 C ATOM 0 H ILE B 75 -8.835 -2.936 -5.835 1.00 0.00 H new ATOM 0 HA ILE B 75 -7.521 -1.822 -8.069 1.00 0.00 H new ATOM 0 HB ILE B 75 -6.599 -1.381 -5.226 1.00 0.00 H new ATOM 0 HG12 ILE B 75 -9.178 -0.325 -6.420 1.00 0.00 H new ATOM 0 HG13 ILE B 75 -9.062 -1.519 -5.142 1.00 0.00 H new ATOM 0 HG21 ILE B 75 -6.416 0.943 -6.035 1.00 0.00 H new ATOM 0 HG22 ILE B 75 -5.496 -0.180 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE B 75 -7.071 0.442 -7.612 1.00 0.00 H new ATOM 0 HD11 ILE B 75 -9.546 0.688 -4.239 1.00 0.00 H new ATOM 0 HD12 ILE B 75 -7.950 0.122 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE B 75 -8.068 1.334 -4.990 1.00 0.00 H new ATOM 1143 N SER B 76 -5.770 -3.764 -6.048 1.00 0.00 N ATOM 1144 CA SER B 76 -4.537 -4.529 -5.882 1.00 0.00 C ATOM 1145 C SER B 76 -4.324 -5.465 -7.058 1.00 0.00 C ATOM 1146 O SER B 76 -3.190 -5.727 -7.443 1.00 0.00 O ATOM 1147 CB SER B 76 -4.558 -5.331 -4.576 1.00 0.00 C ATOM 1148 OG SER B 76 -3.344 -6.041 -4.390 1.00 0.00 O ATOM 0 H SER B 76 -6.447 -3.899 -5.297 1.00 0.00 H new ATOM 0 HA SER B 76 -3.711 -3.820 -5.840 1.00 0.00 H new ATOM 0 HB2 SER B 76 -4.721 -4.657 -3.735 1.00 0.00 H new ATOM 0 HB3 SER B 76 -5.393 -6.031 -4.590 1.00 0.00 H new ATOM 0 HG SER B 76 -3.441 -6.663 -3.639 1.00 0.00 H new ATOM 1154 N ASN B 77 -5.423 -5.957 -7.616 1.00 0.00 N ATOM 1155 CA ASN B 77 -5.387 -6.802 -8.803 1.00 0.00 C ATOM 1156 C ASN B 77 -4.518 -6.169 -9.873 1.00 0.00 C ATOM 1157 O ASN B 77 -3.605 -6.793 -10.418 1.00 0.00 O ATOM 1158 CB ASN B 77 -6.794 -6.959 -9.350 1.00 0.00 C ATOM 1159 CG ASN B 77 -6.900 -8.038 -10.411 1.00 0.00 C ATOM 1160 OD1 ASN B 77 -6.162 -9.022 -10.391 1.00 0.00 O ATOM 1161 ND2 ASN B 77 -7.821 -7.864 -11.344 1.00 0.00 N ATOM 0 H ASN B 77 -6.362 -5.782 -7.259 1.00 0.00 H new ATOM 0 HA ASN B 77 -4.975 -7.773 -8.530 1.00 0.00 H new ATOM 0 HB2 ASN B 77 -7.472 -7.195 -8.530 1.00 0.00 H new ATOM 0 HB3 ASN B 77 -7.122 -6.009 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN B 77 -7.938 -8.559 -12.081 1.00 0.00 H new ATOM 0 HD22 ASN B 77 -8.414 -7.034 -11.327 1.00 0.00 H new ATOM 1168 N ASP B 78 -4.828 -4.919 -10.162 1.00 0.00 N ATOM 1169 CA ASP B 78 -4.058 -4.129 -11.123 1.00 0.00 C ATOM 1170 C ASP B 78 -2.661 -3.836 -10.594 1.00 0.00 C ATOM 1171 O ASP B 78 -1.672 -4.019 -11.296 1.00 0.00 O ATOM 1172 CB ASP B 78 -4.760 -2.803 -11.430 1.00 0.00 C ATOM 1173 CG ASP B 78 -6.074 -2.982 -12.156 1.00 0.00 C ATOM 1174 OD1 ASP B 78 -6.058 -3.315 -13.358 1.00 0.00 O1- ATOM 1175 OD2 ASP B 78 -7.136 -2.784 -11.528 1.00 0.00 O ATOM 0 H ASP B 78 -5.613 -4.420 -9.744 1.00 0.00 H new ATOM 0 HA ASP B 78 -3.982 -4.718 -12.037 1.00 0.00 H new ATOM 0 HB2 ASP B 78 -4.937 -2.268 -10.497 1.00 0.00 H new ATOM 0 HB3 ASP B 78 -4.100 -2.181 -12.034 1.00 0.00 H new ATOM 1180 N ILE B 79 -2.592 -3.394 -9.345 1.00 0.00 N ATOM 1181 CA ILE B 79 -1.331 -3.021 -8.707 1.00 0.00 C ATOM 1182 C ILE B 79 -0.307 -4.152 -8.756 1.00 0.00 C ATOM 1183 O ILE B 79 0.898 -3.919 -8.836 1.00 0.00 O ATOM 1184 CB ILE B 79 -1.580 -2.594 -7.270 1.00 0.00 C ATOM 1185 CG1 ILE B 79 -2.520 -1.410 -7.309 1.00 0.00 C ATOM 1186 CG2 ILE B 79 -0.282 -2.244 -6.553 1.00 0.00 C ATOM 1187 CD1 ILE B 79 -1.963 -0.183 -8.005 1.00 0.00 C ATOM 0 H ILE B 79 -3.408 -3.283 -8.743 1.00 0.00 H new ATOM 0 HA ILE B 79 -0.914 -2.183 -9.266 1.00 0.00 H new ATOM 0 HB ILE B 79 -2.023 -3.416 -6.707 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -3.440 -1.710 -7.811 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -2.787 -1.142 -6.287 1.00 0.00 H new ATOM 0 HG21 ILE B 79 -0.502 -1.944 -5.529 1.00 0.00 H new ATOM 0 HG22 ILE B 79 0.374 -3.114 -6.543 1.00 0.00 H new ATOM 0 HG23 ILE B 79 0.211 -1.423 -7.074 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -2.705 0.615 -7.985 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -1.060 0.148 -7.492 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -1.723 -0.429 -9.039 1.00 0.00 H new ATOM 1199 N ASN B 80 -0.811 -5.377 -8.737 1.00 0.00 N ATOM 1200 CA ASN B 80 0.030 -6.571 -8.813 1.00 0.00 C ATOM 1201 C ASN B 80 0.879 -6.602 -10.085 1.00 0.00 C ATOM 1202 O ASN B 80 1.885 -7.310 -10.147 1.00 0.00 O ATOM 1203 CB ASN B 80 -0.828 -7.841 -8.759 1.00 0.00 C ATOM 1204 CG ASN B 80 -1.397 -8.143 -7.382 1.00 0.00 C ATOM 1205 OD1 ASN B 80 -0.647 -7.829 -6.334 1.00 0.00 O flip ATOM 1206 ND2 ASN B 80 -2.500 -8.678 -7.264 1.00 0.00 N flip ATOM 0 H ASN B 80 -1.809 -5.575 -8.669 1.00 0.00 H new ATOM 0 HA ASN B 80 0.699 -6.534 -7.953 1.00 0.00 H new ATOM 0 HB2 ASN B 80 -1.651 -7.742 -9.467 1.00 0.00 H new ATOM 0 HB3 ASN B 80 -0.226 -8.689 -9.086 1.00 0.00 H new ATOM 0 HD21 ASN B 80 -3.048 -8.905 -8.094 1.00 0.00 H new ATOM 0 HD22 ASN B 80 -2.865 -8.894 -6.337 1.00 0.00 H new ATOM 1213 N LYS B 81 0.479 -5.839 -11.096 1.00 0.00 N ATOM 1214 CA LYS B 81 1.165 -5.862 -12.381 1.00 0.00 C ATOM 1215 C LYS B 81 2.215 -4.754 -12.463 1.00 0.00 C ATOM 1216 O LYS B 81 2.982 -4.676 -13.424 1.00 0.00 O ATOM 1217 CB LYS B 81 0.147 -5.717 -13.519 1.00 0.00 C ATOM 1218 CG LYS B 81 -0.164 -4.281 -13.902 1.00 0.00 C ATOM 1219 CD LYS B 81 -1.243 -4.189 -14.976 1.00 0.00 C ATOM 1220 CE LYS B 81 -0.757 -4.632 -16.354 1.00 0.00 C ATOM 1221 NZ LYS B 81 -0.626 -6.110 -16.479 1.00 0.00 N1+ ATOM 0 H LYS B 81 -0.314 -5.199 -11.051 1.00 0.00 H new ATOM 0 HA LYS B 81 1.678 -6.819 -12.480 1.00 0.00 H new ATOM 0 HB2 LYS B 81 0.525 -6.241 -14.397 1.00 0.00 H new ATOM 0 HB3 LYS B 81 -0.779 -6.211 -13.227 1.00 0.00 H new ATOM 0 HG2 LYS B 81 -0.488 -3.733 -13.017 1.00 0.00 H new ATOM 0 HG3 LYS B 81 0.745 -3.798 -14.261 1.00 0.00 H new ATOM 0 HD2 LYS B 81 -2.093 -4.805 -14.682 1.00 0.00 H new ATOM 0 HD3 LYS B 81 -1.600 -3.161 -15.037 1.00 0.00 H new ATOM 0 HE2 LYS B 81 -1.452 -4.269 -17.112 1.00 0.00 H new ATOM 0 HE3 LYS B 81 0.208 -4.169 -16.559 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 -1.023 -6.418 -17.390 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 0.379 -6.375 -16.432 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 -1.142 -6.571 -15.703 1.00 0.00 H new ATOM 1235 N LEU B 82 2.275 -3.926 -11.427 1.00 0.00 N ATOM 1236 CA LEU B 82 3.136 -2.742 -11.427 1.00 0.00 C ATOM 1237 C LEU B 82 4.599 -3.134 -11.342 1.00 0.00 C ATOM 1238 O LEU B 82 5.484 -2.333 -11.650 1.00 0.00 O ATOM 1239 CB LEU B 82 2.794 -1.831 -10.244 1.00 0.00 C ATOM 1240 CG LEU B 82 1.755 -0.736 -10.509 1.00 0.00 C ATOM 1241 CD1 LEU B 82 2.373 0.399 -11.312 1.00 0.00 C ATOM 1242 CD2 LEU B 82 0.543 -1.296 -11.238 1.00 0.00 C ATOM 0 H LEU B 82 1.736 -4.051 -10.570 1.00 0.00 H new ATOM 0 HA LEU B 82 2.963 -2.209 -12.362 1.00 0.00 H new ATOM 0 HB2 LEU B 82 2.433 -2.454 -9.425 1.00 0.00 H new ATOM 0 HB3 LEU B 82 3.713 -1.355 -9.902 1.00 0.00 H new ATOM 0 HG LEU B 82 1.423 -0.347 -9.546 1.00 0.00 H new ATOM 0 HD11 LEU B 82 1.622 1.168 -11.492 1.00 0.00 H new ATOM 0 HD12 LEU B 82 3.206 0.828 -10.754 1.00 0.00 H new ATOM 0 HD13 LEU B 82 2.735 0.015 -12.266 1.00 0.00 H new ATOM 0 HD21 LEU B 82 -0.178 -0.497 -11.413 1.00 0.00 H new ATOM 0 HD22 LEU B 82 0.856 -1.718 -12.193 1.00 0.00 H new ATOM 0 HD23 LEU B 82 0.081 -2.075 -10.631 1.00 0.00 H new ATOM 1254 N ASN B 83 4.828 -4.381 -10.950 1.00 0.00 N ATOM 1255 CA ASN B 83 6.162 -4.875 -10.648 1.00 0.00 C ATOM 1256 C ASN B 83 6.850 -3.920 -9.676 1.00 0.00 C ATOM 1257 O ASN B 83 7.911 -3.365 -9.960 1.00 0.00 O ATOM 1258 CB ASN B 83 6.982 -5.044 -11.928 1.00 0.00 C ATOM 1259 CG ASN B 83 8.337 -5.689 -11.688 1.00 0.00 C ATOM 1260 OD1 ASN B 83 8.502 -6.509 -10.785 1.00 0.00 O ATOM 1261 ND2 ASN B 83 9.313 -5.329 -12.502 1.00 0.00 N ATOM 0 H ASN B 83 4.092 -5.078 -10.833 1.00 0.00 H new ATOM 0 HA ASN B 83 6.082 -5.856 -10.180 1.00 0.00 H new ATOM 0 HB2 ASN B 83 6.418 -5.651 -12.636 1.00 0.00 H new ATOM 0 HB3 ASN B 83 7.128 -4.068 -12.390 1.00 0.00 H new ATOM 0 HD21 ASN B 83 10.243 -5.734 -12.394 1.00 0.00 H new ATOM 0 HD22 ASN B 83 9.137 -4.646 -13.239 1.00 0.00 H new ATOM 1268 N ILE B 84 6.207 -3.724 -8.535 1.00 0.00 N ATOM 1269 CA ILE B 84 6.644 -2.754 -7.541 1.00 0.00 C ATOM 1270 C ILE B 84 8.063 -3.020 -7.075 1.00 0.00 C ATOM 1271 O ILE B 84 8.476 -4.170 -6.955 1.00 0.00 O ATOM 1272 CB ILE B 84 5.715 -2.789 -6.324 1.00 0.00 C ATOM 1273 CG1 ILE B 84 4.295 -2.535 -6.775 1.00 0.00 C ATOM 1274 CG2 ILE B 84 6.128 -1.752 -5.289 1.00 0.00 C ATOM 1275 CD1 ILE B 84 3.268 -2.971 -5.762 1.00 0.00 C ATOM 0 H ILE B 84 5.364 -4.235 -8.271 1.00 0.00 H new ATOM 0 HA ILE B 84 6.612 -1.774 -8.016 1.00 0.00 H new ATOM 0 HB ILE B 84 5.784 -3.772 -5.858 1.00 0.00 H new ATOM 0 HG12 ILE B 84 4.169 -1.471 -6.977 1.00 0.00 H new ATOM 0 HG13 ILE B 84 4.118 -3.061 -7.713 1.00 0.00 H new ATOM 0 HG21 ILE B 84 5.451 -1.800 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE B 84 7.146 -1.955 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE B 84 6.083 -0.757 -5.733 1.00 0.00 H new ATOM 0 HD11 ILE B 84 2.269 -2.762 -6.144 1.00 0.00 H new ATOM 0 HD12 ILE B 84 3.370 -4.040 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE B 84 3.421 -2.426 -4.831 1.00 0.00 H new ATOM 1287 N LYS B 85 8.790 -1.946 -6.818 1.00 0.00 N ATOM 1288 CA LYS B 85 10.141 -2.037 -6.277 1.00 0.00 C ATOM 1289 C LYS B 85 10.158 -1.565 -4.825 1.00 0.00 C ATOM 1290 O LYS B 85 9.103 -1.376 -4.222 1.00 0.00 O ATOM 1291 CB LYS B 85 11.123 -1.215 -7.112 1.00 0.00 C ATOM 1292 CG LYS B 85 11.251 -1.694 -8.549 1.00 0.00 C ATOM 1293 CD LYS B 85 12.607 -1.334 -9.138 1.00 0.00 C ATOM 1294 CE LYS B 85 12.827 0.170 -9.189 1.00 0.00 C ATOM 1295 NZ LYS B 85 11.987 0.824 -10.225 1.00 0.00 N1+ ATOM 0 H LYS B 85 8.466 -0.992 -6.976 1.00 0.00 H new ATOM 0 HA LYS B 85 10.454 -3.080 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS B 85 10.803 -0.173 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS B 85 12.104 -1.247 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS B 85 11.112 -2.774 -8.587 1.00 0.00 H new ATOM 0 HG3 LYS B 85 10.461 -1.249 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS B 85 13.395 -1.795 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS B 85 12.686 -1.746 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS B 85 12.601 0.602 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS B 85 13.878 0.375 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS B 85 12.194 1.843 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 85 12.196 0.408 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS B 85 10.982 0.680 -9.999 1.00 0.00 H new ATOM 1309 N GLY B 86 11.344 -1.367 -4.265 1.00 0.00 N ATOM 1310 CA GLY B 86 11.434 -0.980 -2.872 1.00 0.00 C ATOM 1311 C GLY B 86 12.599 -0.056 -2.591 1.00 0.00 C ATOM 1312 O GLY B 86 13.758 -0.455 -2.716 1.00 0.00 O ATOM 0 H GLY B 86 12.238 -1.466 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY B 86 10.507 -0.488 -2.576 1.00 0.00 H new ATOM 0 HA3 GLY B 86 11.530 -1.875 -2.257 1.00 0.00 H new ATOM 1316 N MET B 87 12.299 1.187 -2.219 1.00 0.00 N ATOM 1317 CA MET B 87 13.301 2.116 -1.787 1.00 0.00 C ATOM 1318 C MET B 87 12.676 3.212 -0.918 1.00 0.00 C ATOM 1319 O MET B 87 12.832 3.202 0.298 1.00 0.00 O ATOM 1320 CB MET B 87 14.016 2.729 -2.982 1.00 0.00 C ATOM 1321 CG MET B 87 14.791 3.948 -2.583 1.00 0.00 C ATOM 1322 SD MET B 87 15.921 4.543 -3.858 1.00 0.00 S ATOM 1323 CE MET B 87 14.774 4.985 -5.159 1.00 0.00 C ATOM 0 H MET B 87 11.351 1.563 -2.214 1.00 0.00 H new ATOM 0 HA MET B 87 14.034 1.575 -1.189 1.00 0.00 H new ATOM 0 HB2 MET B 87 14.690 1.994 -3.422 1.00 0.00 H new ATOM 0 HB3 MET B 87 13.288 2.993 -3.749 1.00 0.00 H new ATOM 0 HG2 MET B 87 14.092 4.745 -2.330 1.00 0.00 H new ATOM 0 HG3 MET B 87 15.361 3.726 -1.681 1.00 0.00 H new ATOM 0 HE1 MET B 87 15.262 5.664 -5.859 1.00 0.00 H new ATOM 0 HE2 MET B 87 14.458 4.085 -5.687 1.00 0.00 H new ATOM 0 HE3 MET B 87 13.903 5.476 -4.725 1.00 0.00 H new ATOM 1333 N TYR B 88 11.949 4.145 -1.534 1.00 0.00 N ATOM 1334 CA TYR B 88 11.386 5.260 -0.797 1.00 0.00 C ATOM 1335 C TYR B 88 9.873 5.210 -0.872 1.00 0.00 C ATOM 1336 O TYR B 88 9.268 5.677 -1.834 1.00 0.00 O ATOM 1337 CB TYR B 88 11.905 6.582 -1.357 1.00 0.00 C ATOM 1338 CG TYR B 88 11.634 7.771 -0.463 1.00 0.00 C ATOM 1339 CD1 TYR B 88 12.550 8.150 0.509 1.00 0.00 C ATOM 1340 CD2 TYR B 88 10.469 8.513 -0.593 1.00 0.00 C ATOM 1341 CE1 TYR B 88 12.313 9.237 1.325 1.00 0.00 C ATOM 1342 CE2 TYR B 88 10.226 9.603 0.221 1.00 0.00 C ATOM 1343 CZ TYR B 88 11.150 9.962 1.177 1.00 0.00 C ATOM 1344 OH TYR B 88 10.912 11.049 1.989 1.00 0.00 O ATOM 0 H TYR B 88 11.741 4.145 -2.533 1.00 0.00 H new ATOM 0 HA TYR B 88 11.691 5.188 0.247 1.00 0.00 H new ATOM 0 HB2 TYR B 88 12.979 6.500 -1.521 1.00 0.00 H new ATOM 0 HB3 TYR B 88 11.447 6.759 -2.330 1.00 0.00 H new ATOM 0 HD1 TYR B 88 13.463 7.585 0.628 1.00 0.00 H new ATOM 0 HD2 TYR B 88 9.741 8.235 -1.341 1.00 0.00 H new ATOM 0 HE1 TYR B 88 13.036 9.519 2.077 1.00 0.00 H new ATOM 0 HE2 TYR B 88 9.315 10.171 0.108 1.00 0.00 H new ATOM 0 HH TYR B 88 10.049 11.450 1.754 1.00 0.00 H new ATOM 1354 N ILE B 89 9.277 4.602 0.130 1.00 0.00 N ATOM 1355 CA ILE B 89 7.833 4.463 0.190 1.00 0.00 C ATOM 1356 C ILE B 89 7.222 5.609 0.988 1.00 0.00 C ATOM 1357 O ILE B 89 7.727 5.965 2.054 1.00 0.00 O ATOM 1358 CB ILE B 89 7.437 3.121 0.848 1.00 0.00 C ATOM 1359 CG1 ILE B 89 8.256 1.973 0.253 1.00 0.00 C ATOM 1360 CG2 ILE B 89 5.945 2.857 0.690 1.00 0.00 C ATOM 1361 CD1 ILE B 89 7.999 1.740 -1.214 1.00 0.00 C ATOM 0 H ILE B 89 9.772 4.192 0.922 1.00 0.00 H new ATOM 0 HA ILE B 89 7.453 4.486 -0.831 1.00 0.00 H new ATOM 0 HB ILE B 89 7.656 3.185 1.914 1.00 0.00 H new ATOM 0 HG12 ILE B 89 9.316 2.182 0.398 1.00 0.00 H new ATOM 0 HG13 ILE B 89 8.033 1.058 0.801 1.00 0.00 H new ATOM 0 HG21 ILE B 89 5.692 1.907 1.161 1.00 0.00 H new ATOM 0 HG22 ILE B 89 5.381 3.660 1.165 1.00 0.00 H new ATOM 0 HG23 ILE B 89 5.693 2.815 -0.370 1.00 0.00 H new ATOM 0 HD11 ILE B 89 8.615 0.912 -1.564 1.00 0.00 H new ATOM 0 HD12 ILE B 89 6.947 1.499 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE B 89 8.249 2.641 -1.775 1.00 0.00 H new ATOM 1373 N GLU B 90 6.151 6.196 0.473 1.00 0.00 N ATOM 1374 CA GLU B 90 5.451 7.244 1.202 1.00 0.00 C ATOM 1375 C GLU B 90 3.993 6.881 1.406 1.00 0.00 C ATOM 1376 O GLU B 90 3.492 5.903 0.850 1.00 0.00 O ATOM 1377 CB GLU B 90 5.511 8.590 0.486 1.00 0.00 C ATOM 1378 CG GLU B 90 6.892 8.988 0.008 1.00 0.00 C ATOM 1379 CD GLU B 90 6.899 10.355 -0.640 1.00 0.00 C ATOM 1380 OE1 GLU B 90 6.533 11.341 0.038 1.00 0.00 O1- ATOM 1381 OE2 GLU B 90 7.264 10.456 -1.825 1.00 0.00 O ATOM 0 H GLU B 90 5.751 5.968 -0.437 1.00 0.00 H new ATOM 0 HA GLU B 90 5.959 7.333 2.163 1.00 0.00 H new ATOM 0 HB2 GLU B 90 4.838 8.561 -0.371 1.00 0.00 H new ATOM 0 HB3 GLU B 90 5.137 9.362 1.159 1.00 0.00 H new ATOM 0 HG2 GLU B 90 7.582 8.984 0.852 1.00 0.00 H new ATOM 0 HG3 GLU B 90 7.256 8.248 -0.705 1.00 0.00 H new ATOM 1388 N ILE B 91 3.324 7.719 2.176 1.00 0.00 N ATOM 1389 CA ILE B 91 1.927 7.533 2.546 1.00 0.00 C ATOM 1390 C ILE B 91 1.304 8.896 2.805 1.00 0.00 C ATOM 1391 O ILE B 91 1.756 9.619 3.692 1.00 0.00 O ATOM 1392 CB ILE B 91 1.777 6.700 3.842 1.00 0.00 C ATOM 1393 CG1 ILE B 91 2.345 5.292 3.671 1.00 0.00 C ATOM 1394 CG2 ILE B 91 0.317 6.640 4.281 1.00 0.00 C ATOM 1395 CD1 ILE B 91 2.353 4.491 4.953 1.00 0.00 C ATOM 0 H ILE B 91 3.740 8.563 2.570 1.00 0.00 H new ATOM 0 HA ILE B 91 1.436 7.006 1.728 1.00 0.00 H new ATOM 0 HB ILE B 91 2.353 7.198 4.622 1.00 0.00 H new ATOM 0 HG12 ILE B 91 1.759 4.760 2.922 1.00 0.00 H new ATOM 0 HG13 ILE B 91 3.363 5.362 3.288 1.00 0.00 H new ATOM 0 HG21 ILE B 91 0.235 6.050 5.194 1.00 0.00 H new ATOM 0 HG22 ILE B 91 -0.048 7.650 4.468 1.00 0.00 H new ATOM 0 HG23 ILE B 91 -0.280 6.178 3.495 1.00 0.00 H new ATOM 0 HD11 ILE B 91 2.768 3.502 4.761 1.00 0.00 H new ATOM 0 HD12 ILE B 91 2.963 5.002 5.698 1.00 0.00 H new ATOM 0 HD13 ILE B 91 1.334 4.390 5.326 1.00 0.00 H new ATOM 1407 N LYS B 92 0.289 9.259 2.039 1.00 0.00 N ATOM 1408 CA LYS B 92 -0.358 10.551 2.208 1.00 0.00 C ATOM 1409 C LYS B 92 -1.619 10.662 1.373 1.00 0.00 C ATOM 1410 O LYS B 92 -1.872 9.844 0.490 1.00 0.00 O ATOM 1411 CB LYS B 92 0.603 11.672 1.837 1.00 0.00 C ATOM 1412 CG LYS B 92 1.314 11.446 0.517 1.00 0.00 C ATOM 1413 CD LYS B 92 2.592 12.265 0.435 1.00 0.00 C ATOM 1414 CE LYS B 92 3.242 12.150 -0.932 1.00 0.00 C ATOM 1415 NZ LYS B 92 4.534 12.881 -1.000 1.00 0.00 N1+ ATOM 0 H LYS B 92 -0.104 8.681 1.297 1.00 0.00 H new ATOM 0 HA LYS B 92 -0.640 10.642 3.257 1.00 0.00 H new ATOM 0 HB2 LYS B 92 0.052 12.611 1.788 1.00 0.00 H new ATOM 0 HB3 LYS B 92 1.346 11.780 2.627 1.00 0.00 H new ATOM 0 HG2 LYS B 92 1.549 10.388 0.404 1.00 0.00 H new ATOM 0 HG3 LYS B 92 0.653 11.715 -0.306 1.00 0.00 H new ATOM 0 HD2 LYS B 92 2.369 13.311 0.646 1.00 0.00 H new ATOM 0 HD3 LYS B 92 3.291 11.928 1.200 1.00 0.00 H new ATOM 0 HE2 LYS B 92 3.408 11.099 -1.167 1.00 0.00 H new ATOM 0 HE3 LYS B 92 2.564 12.542 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 4.876 12.891 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 4.398 13.858 -0.671 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 5.234 12.406 -0.395 1.00 0.00 H new ATOM 1429 N GLN B 93 -2.385 11.702 1.656 1.00 0.00 N ATOM 1430 CA GLN B 93 -3.664 11.929 1.017 1.00 0.00 C ATOM 1431 C GLN B 93 -3.518 12.947 -0.097 1.00 0.00 C ATOM 1432 O GLN B 93 -2.662 13.831 -0.046 1.00 0.00 O ATOM 1433 CB GLN B 93 -4.684 12.399 2.051 1.00 0.00 C ATOM 1434 CG GLN B 93 -4.308 13.708 2.721 1.00 0.00 C ATOM 1435 CD GLN B 93 -4.665 13.725 4.188 1.00 0.00 C ATOM 1436 OE1 GLN B 93 -5.778 14.091 4.568 1.00 0.00 O ATOM 1437 NE2 GLN B 93 -3.716 13.335 5.026 1.00 0.00 N ATOM 0 H GLN B 93 -2.133 12.415 2.340 1.00 0.00 H new ATOM 0 HA GLN B 93 -4.018 10.995 0.581 1.00 0.00 H new ATOM 0 HB2 GLN B 93 -5.654 12.513 1.567 1.00 0.00 H new ATOM 0 HB3 GLN B 93 -4.797 11.629 2.814 1.00 0.00 H new ATOM 0 HG2 GLN B 93 -3.237 13.877 2.608 1.00 0.00 H new ATOM 0 HG3 GLN B 93 -4.815 14.530 2.217 1.00 0.00 H new ATOM 0 HE21 GLN B 93 -2.808 13.040 4.667 1.00 0.00 H new ATOM 0 HE22 GLN B 93 -3.893 13.330 6.030 1.00 0.00 H new ATOM 1446 N ILE B 94 -4.355 12.816 -1.094 1.00 0.00 N ATOM 1447 CA ILE B 94 -4.265 13.625 -2.287 1.00 0.00 C ATOM 1448 C ILE B 94 -5.422 14.609 -2.366 1.00 0.00 C ATOM 1449 O ILE B 94 -5.163 15.830 -2.360 1.00 0.00 O ATOM 1450 CB ILE B 94 -4.224 12.723 -3.533 1.00 0.00 C ATOM 1451 CG1 ILE B 94 -5.204 11.563 -3.361 1.00 0.00 C ATOM 1452 CG2 ILE B 94 -2.812 12.198 -3.738 1.00 0.00 C ATOM 1453 CD1 ILE B 94 -5.270 10.629 -4.550 1.00 0.00 C ATOM 1454 OXT ILE B 94 -6.584 14.165 -2.382 1.00 0.00 O ATOM 0 H ILE B 94 -5.122 12.143 -1.103 1.00 0.00 H new ATOM 0 HA ILE B 94 -3.342 14.204 -2.246 1.00 0.00 H new ATOM 0 HB ILE B 94 -4.515 13.300 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE B 94 -4.921 10.990 -2.478 1.00 0.00 H new ATOM 0 HG13 ILE B 94 -6.199 11.967 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE B 94 -2.786 11.560 -4.621 1.00 0.00 H new ATOM 0 HG22 ILE B 94 -2.129 13.036 -3.876 1.00 0.00 H new ATOM 0 HG23 ILE B 94 -2.508 11.622 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE B 94 -5.987 9.834 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE B 94 -5.584 11.186 -5.433 1.00 0.00 H new ATOM 0 HD13 ILE B 94 -4.286 10.194 -4.726 1.00 0.00 H new TER 1466 ILE B 94