USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 ASN : amide:sc= -3.74! K(o=-3.7!,f=-0.041) USER MOD Single : A 6 ASN : amide:sc= -7.48! C(o=-7.5!,f=-4.9!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.72 K(o=-0.72,f=0) USER MOD Single : A 13 ASN : amide:sc= -3.58! C(o=-3.6!,f=-3.6!) USER MOD Single : A 15 LYS NZ :NH3+ 179:sc= -0.246 (180deg=-0.247) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -6.12! C(o=-6.1!,f=-5.1!) USER MOD Single : A 25 GLN : amide:sc= -1.29! X(o=-1.3!,f=-0.93) USER MOD Single : A 31 THR OG1 : rot 49:sc= 0.816 USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= -2.02 (180deg=-2.23) USER MOD Single : A 33 MET CE :methyl 166:sc= -0.0425 (180deg=-0.481) USER MOD Single : A 41 GLN : amide:sc= -4.5! C(o=-4.5!,f=-4.1!) USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= -0.141 (180deg=-0.247) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -136:sc= 0.047 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -113:sc= 1.2 (180deg=-1.15) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -159:sc= 0 (180deg=-0.465) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.214) USER MOD Single : A 63 HIS : no HD1:sc= -6.92! C(o=-6.9!,f=-8.5!) USER MOD Single : A 71 GLN : amide:sc= -8.51! C(o=-8.5!,f=-9.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= -2.9 (180deg=-3.31!) USER MOD Single : A 88 GLN : amide:sc=-0.00848 X(o=-0.0085,f=0) USER MOD Single : A 93 GLN : amide:sc= -4.89! K(o=-4.9!,f=-0.63) USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= -4.7! (180deg=-5.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 140:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -3.08! C(o=-3.1!,f=-2.1!) USER MOD Single : A 103 GLN : amide:sc= -8.44! C(o=-8.4!,f=-4.4!) USER MOD Single : A 104 LYS NZ :NH3+ -120:sc= -0.894 (180deg=-2.54!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ASP A 2 12.941 5.230 10.721 1.00 0.00 N ATOM 14 CA ASP A 2 11.639 4.529 10.920 1.00 0.00 C ATOM 15 C ASP A 2 10.792 4.653 9.660 1.00 0.00 C ATOM 16 O ASP A 2 9.849 3.915 9.454 1.00 0.00 O ATOM 17 CB ASP A 2 10.886 5.216 12.058 1.00 0.00 C ATOM 18 CG ASP A 2 11.429 4.736 13.405 1.00 0.00 C ATOM 19 OD1 ASP A 2 11.233 3.574 13.720 1.00 0.00 O ATOM 20 OD2 ASP A 2 12.033 5.539 14.097 1.00 0.00 O ATOM 0 HA ASP A 2 11.824 3.479 11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.994 6.298 11.977 1.00 0.00 H new ATOM 0 HB3 ASP A 2 9.821 4.996 11.986 1.00 0.00 H new ATOM 25 N LEU A 3 11.110 5.594 8.827 1.00 0.00 N ATOM 26 CA LEU A 3 10.315 5.790 7.585 1.00 0.00 C ATOM 27 C LEU A 3 10.893 4.916 6.481 1.00 0.00 C ATOM 28 O LEU A 3 10.188 4.176 5.824 1.00 0.00 O ATOM 29 CB LEU A 3 10.374 7.260 7.153 1.00 0.00 C ATOM 30 CG LEU A 3 10.006 8.176 8.327 1.00 0.00 C ATOM 31 CD1 LEU A 3 9.878 9.613 7.815 1.00 0.00 C ATOM 32 CD2 LEU A 3 8.673 7.730 8.944 1.00 0.00 C ATOM 0 H LEU A 3 11.889 6.241 8.950 1.00 0.00 H new ATOM 0 HA LEU A 3 9.277 5.515 7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.375 7.501 6.795 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.689 7.430 6.322 1.00 0.00 H new ATOM 0 HG LEU A 3 10.783 8.120 9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 3 9.616 10.272 8.643 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.827 9.931 7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.099 9.660 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.420 8.386 9.777 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.888 7.781 8.190 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.764 6.705 9.304 1.00 0.00 H new ATOM 44 N GLU A 4 12.180 4.978 6.286 1.00 0.00 N ATOM 45 CA GLU A 4 12.803 4.132 5.245 1.00 0.00 C ATOM 46 C GLU A 4 12.568 2.698 5.658 1.00 0.00 C ATOM 47 O GLU A 4 12.575 1.783 4.856 1.00 0.00 O ATOM 48 CB GLU A 4 14.306 4.394 5.190 1.00 0.00 C ATOM 49 CG GLU A 4 14.569 5.892 5.008 1.00 0.00 C ATOM 50 CD GLU A 4 14.233 6.301 3.571 1.00 0.00 C ATOM 51 OE1 GLU A 4 14.265 5.440 2.705 1.00 0.00 O ATOM 52 OE2 GLU A 4 13.950 7.468 3.360 1.00 0.00 O ATOM 0 H GLU A 4 12.822 5.578 6.804 1.00 0.00 H new ATOM 0 HA GLU A 4 12.378 4.346 4.264 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.779 4.042 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 4 14.751 3.835 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 4 13.965 6.466 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 4 15.613 6.118 5.227 1.00 0.00 H new ATOM 59 N ASP A 5 12.360 2.503 6.925 1.00 0.00 N ATOM 60 CA ASP A 5 12.128 1.134 7.428 1.00 0.00 C ATOM 61 C ASP A 5 10.706 0.685 7.044 1.00 0.00 C ATOM 62 O ASP A 5 10.511 -0.365 6.463 1.00 0.00 O ATOM 63 CB ASP A 5 12.304 1.172 8.951 1.00 0.00 C ATOM 64 CG ASP A 5 11.520 0.041 9.632 1.00 0.00 C ATOM 65 OD1 ASP A 5 11.959 -1.094 9.544 1.00 0.00 O ATOM 66 OD2 ASP A 5 10.498 0.333 10.229 1.00 0.00 O ATOM 0 H ASP A 5 12.341 3.237 7.633 1.00 0.00 H new ATOM 0 HA ASP A 5 12.830 0.423 6.994 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.362 1.085 9.199 1.00 0.00 H new ATOM 0 HB3 ASP A 5 11.965 2.134 9.334 1.00 0.00 H new ATOM 71 N ASN A 6 9.714 1.469 7.380 1.00 0.00 N ATOM 72 CA ASN A 6 8.317 1.085 7.052 1.00 0.00 C ATOM 73 C ASN A 6 8.229 0.786 5.544 1.00 0.00 C ATOM 74 O ASN A 6 7.628 -0.179 5.126 1.00 0.00 O ATOM 75 CB ASN A 6 7.369 2.237 7.475 1.00 0.00 C ATOM 76 CG ASN A 6 6.246 2.449 6.452 1.00 0.00 C ATOM 77 OD1 ASN A 6 5.085 2.241 6.743 1.00 0.00 O ATOM 78 ND2 ASN A 6 6.562 2.852 5.257 1.00 0.00 N ATOM 0 H ASN A 6 9.816 2.359 7.868 1.00 0.00 H new ATOM 0 HA ASN A 6 8.015 0.188 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 6 6.936 2.013 8.450 1.00 0.00 H new ATOM 0 HB3 ASN A 6 7.941 3.158 7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 6 5.833 2.995 4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.539 3.025 5.019 1.00 0.00 H new ATOM 85 N TRP A 7 8.824 1.614 4.730 1.00 0.00 N ATOM 86 CA TRP A 7 8.769 1.386 3.254 1.00 0.00 C ATOM 87 C TRP A 7 9.165 -0.056 2.953 1.00 0.00 C ATOM 88 O TRP A 7 8.441 -0.782 2.303 1.00 0.00 O ATOM 89 CB TRP A 7 9.751 2.345 2.548 1.00 0.00 C ATOM 90 CG TRP A 7 9.106 3.673 2.279 1.00 0.00 C ATOM 91 CD1 TRP A 7 8.519 4.466 3.206 1.00 0.00 C ATOM 92 CD2 TRP A 7 8.997 4.383 1.010 1.00 0.00 C ATOM 93 NE1 TRP A 7 8.048 5.608 2.585 1.00 0.00 N ATOM 94 CE2 TRP A 7 8.321 5.605 1.234 1.00 0.00 C ATOM 95 CE3 TRP A 7 9.415 4.088 -0.300 1.00 0.00 C ATOM 96 CZ2 TRP A 7 8.064 6.501 0.197 1.00 0.00 C ATOM 97 CZ3 TRP A 7 9.158 4.988 -1.348 1.00 0.00 C ATOM 98 CH2 TRP A 7 8.486 6.193 -1.099 1.00 0.00 C ATOM 0 H TRP A 7 9.347 2.440 5.021 1.00 0.00 H new ATOM 0 HA TRP A 7 7.757 1.572 2.893 1.00 0.00 H new ATOM 0 HB2 TRP A 7 10.636 2.486 3.168 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.086 1.903 1.610 1.00 0.00 H new ATOM 0 HD1 TRP A 7 8.433 4.243 4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.558 6.361 3.068 1.00 0.00 H new ATOM 0 HE3 TRP A 7 9.937 3.164 -0.502 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.543 7.426 0.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 9.480 4.750 -2.351 1.00 0.00 H new ATOM 0 HH2 TRP A 7 8.295 6.882 -1.908 1.00 0.00 H new ATOM 109 N GLU A 8 10.304 -0.478 3.414 1.00 0.00 N ATOM 110 CA GLU A 8 10.733 -1.859 3.144 1.00 0.00 C ATOM 111 C GLU A 8 9.634 -2.826 3.588 1.00 0.00 C ATOM 112 O GLU A 8 9.526 -3.927 3.087 1.00 0.00 O ATOM 113 CB GLU A 8 12.008 -2.133 3.934 1.00 0.00 C ATOM 114 CG GLU A 8 12.618 -3.443 3.462 1.00 0.00 C ATOM 115 CD GLU A 8 13.687 -3.900 4.456 1.00 0.00 C ATOM 116 OE1 GLU A 8 14.740 -3.285 4.488 1.00 0.00 O ATOM 117 OE2 GLU A 8 13.434 -4.857 5.170 1.00 0.00 O ATOM 0 H GLU A 8 10.954 0.081 3.967 1.00 0.00 H new ATOM 0 HA GLU A 8 10.920 -1.995 2.079 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.718 -1.317 3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.785 -2.185 5.000 1.00 0.00 H new ATOM 0 HG2 GLU A 8 11.843 -4.204 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 8 13.058 -3.315 2.473 1.00 0.00 H new ATOM 124 N THR A 9 8.816 -2.429 4.529 1.00 0.00 N ATOM 125 CA THR A 9 7.737 -3.346 4.991 1.00 0.00 C ATOM 126 C THR A 9 6.701 -3.535 3.885 1.00 0.00 C ATOM 127 O THR A 9 6.539 -4.621 3.365 1.00 0.00 O ATOM 128 CB THR A 9 7.060 -2.798 6.253 1.00 0.00 C ATOM 129 OG1 THR A 9 8.051 -2.405 7.190 1.00 0.00 O ATOM 130 CG2 THR A 9 6.177 -3.887 6.863 1.00 0.00 C ATOM 0 H THR A 9 8.849 -1.520 4.991 1.00 0.00 H new ATOM 0 HA THR A 9 8.186 -4.310 5.231 1.00 0.00 H new ATOM 0 HB THR A 9 6.447 -1.934 5.996 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.618 -2.053 7.996 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.693 -3.503 7.761 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.417 -4.186 6.141 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.790 -4.750 7.123 1.00 0.00 H new ATOM 138 N LEU A 10 5.996 -2.503 3.510 1.00 0.00 N ATOM 139 CA LEU A 10 4.990 -2.687 2.428 1.00 0.00 C ATOM 140 C LEU A 10 5.737 -3.157 1.179 1.00 0.00 C ATOM 141 O LEU A 10 5.218 -3.901 0.374 1.00 0.00 O ATOM 142 CB LEU A 10 4.213 -1.383 2.140 1.00 0.00 C ATOM 143 CG LEU A 10 5.084 -0.150 2.447 1.00 0.00 C ATOM 144 CD1 LEU A 10 4.679 1.018 1.536 1.00 0.00 C ATOM 145 CD2 LEU A 10 4.898 0.269 3.917 1.00 0.00 C ATOM 0 H LEU A 10 6.070 -1.562 3.896 1.00 0.00 H new ATOM 0 HA LEU A 10 4.250 -3.426 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.901 -1.363 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.306 -1.353 2.744 1.00 0.00 H new ATOM 0 HG LEU A 10 6.129 -0.405 2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.300 1.886 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.818 0.731 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.632 1.267 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.517 1.141 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.851 0.515 4.096 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.194 -0.552 4.570 1.00 0.00 H new ATOM 157 N ASN A 11 6.965 -2.739 1.015 1.00 0.00 N ATOM 158 CA ASN A 11 7.735 -3.201 -0.175 1.00 0.00 C ATOM 159 C ASN A 11 8.040 -4.700 -0.007 1.00 0.00 C ATOM 160 O ASN A 11 7.726 -5.515 -0.854 1.00 0.00 O ATOM 161 CB ASN A 11 9.044 -2.394 -0.303 1.00 0.00 C ATOM 162 CG ASN A 11 9.451 -2.280 -1.782 1.00 0.00 C ATOM 163 OD1 ASN A 11 10.045 -1.297 -2.183 1.00 0.00 O ATOM 164 ND2 ASN A 11 9.160 -3.246 -2.613 1.00 0.00 N ATOM 0 H ASN A 11 7.461 -2.107 1.644 1.00 0.00 H new ATOM 0 HA ASN A 11 7.152 -3.046 -1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.911 -1.400 0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 11 9.837 -2.880 0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.431 -3.174 -3.594 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.662 -4.072 -2.281 1.00 0.00 H new ATOM 171 N ASP A 12 8.660 -5.059 1.092 1.00 0.00 N ATOM 172 CA ASP A 12 9.003 -6.490 1.343 1.00 0.00 C ATOM 173 C ASP A 12 7.727 -7.336 1.393 1.00 0.00 C ATOM 174 O ASP A 12 7.770 -8.547 1.299 1.00 0.00 O ATOM 175 CB ASP A 12 9.750 -6.612 2.674 1.00 0.00 C ATOM 176 CG ASP A 12 10.065 -8.085 2.950 1.00 0.00 C ATOM 177 OD1 ASP A 12 10.002 -8.870 2.017 1.00 0.00 O ATOM 178 OD2 ASP A 12 10.365 -8.403 4.088 1.00 0.00 O ATOM 0 H ASP A 12 8.944 -4.415 1.830 1.00 0.00 H new ATOM 0 HA ASP A 12 9.637 -6.850 0.533 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.672 -6.032 2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.145 -6.201 3.482 1.00 0.00 H new ATOM 183 N ASN A 13 6.590 -6.712 1.517 1.00 0.00 N ATOM 184 CA ASN A 13 5.321 -7.478 1.547 1.00 0.00 C ATOM 185 C ASN A 13 5.065 -7.974 0.120 1.00 0.00 C ATOM 186 O ASN A 13 4.749 -9.122 -0.113 1.00 0.00 O ATOM 187 CB ASN A 13 4.178 -6.523 1.953 1.00 0.00 C ATOM 188 CG ASN A 13 3.739 -6.704 3.416 1.00 0.00 C ATOM 189 OD1 ASN A 13 3.695 -7.807 3.924 1.00 0.00 O ATOM 190 ND2 ASN A 13 3.409 -5.634 4.117 1.00 0.00 N ATOM 0 H ASN A 13 6.488 -5.700 1.599 1.00 0.00 H new ATOM 0 HA ASN A 13 5.374 -8.308 2.251 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.500 -5.493 1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.322 -6.690 1.299 1.00 0.00 H new ATOM 0 HD21 ASN A 13 3.116 -5.732 5.089 1.00 0.00 H new ATOM 0 HD22 ASN A 13 3.448 -4.710 3.686 1.00 0.00 H new ATOM 197 N LEU A 14 5.197 -7.078 -0.823 1.00 0.00 N ATOM 198 CA LEU A 14 4.956 -7.405 -2.258 1.00 0.00 C ATOM 199 C LEU A 14 5.852 -8.557 -2.708 1.00 0.00 C ATOM 200 O LEU A 14 5.469 -9.366 -3.537 1.00 0.00 O ATOM 201 CB LEU A 14 5.274 -6.148 -3.078 1.00 0.00 C ATOM 202 CG LEU A 14 4.087 -5.145 -2.982 1.00 0.00 C ATOM 203 CD1 LEU A 14 4.574 -3.671 -2.936 1.00 0.00 C ATOM 204 CD2 LEU A 14 3.149 -5.358 -4.182 1.00 0.00 C ATOM 0 H LEU A 14 5.469 -6.110 -0.653 1.00 0.00 H new ATOM 0 HA LEU A 14 3.920 -7.713 -2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.187 -5.682 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.452 -6.417 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 14 3.553 -5.336 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.713 -3.005 -2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.213 -3.526 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.138 -3.446 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.315 -4.658 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.698 -5.188 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.768 -6.379 -4.169 1.00 0.00 H new ATOM 216 N LYS A 15 7.032 -8.653 -2.174 1.00 0.00 N ATOM 217 CA LYS A 15 7.919 -9.767 -2.592 1.00 0.00 C ATOM 218 C LYS A 15 7.327 -11.074 -2.085 1.00 0.00 C ATOM 219 O LYS A 15 7.296 -12.059 -2.787 1.00 0.00 O ATOM 220 CB LYS A 15 9.313 -9.594 -1.981 1.00 0.00 C ATOM 221 CG LYS A 15 10.279 -10.657 -2.564 1.00 0.00 C ATOM 222 CD LYS A 15 11.306 -11.089 -1.503 1.00 0.00 C ATOM 223 CE LYS A 15 10.709 -12.186 -0.611 1.00 0.00 C ATOM 224 NZ LYS A 15 10.691 -13.473 -1.360 1.00 0.00 N ATOM 0 H LYS A 15 7.418 -8.018 -1.475 1.00 0.00 H new ATOM 0 HA LYS A 15 8.001 -9.772 -3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.690 -8.593 -2.191 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.260 -9.694 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.713 -11.524 -2.905 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.795 -10.251 -3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.210 -11.456 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.596 -10.232 -0.895 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.298 -12.290 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.698 -11.914 -0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.303 -14.223 -0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.098 -13.373 -2.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.660 -13.724 -1.643 1.00 0.00 H new ATOM 238 N VAL A 16 6.857 -11.093 -0.875 1.00 0.00 N ATOM 239 CA VAL A 16 6.279 -12.351 -0.333 1.00 0.00 C ATOM 240 C VAL A 16 5.129 -12.813 -1.236 1.00 0.00 C ATOM 241 O VAL A 16 4.798 -13.977 -1.273 1.00 0.00 O ATOM 242 CB VAL A 16 5.767 -12.116 1.094 1.00 0.00 C ATOM 243 CG1 VAL A 16 4.972 -13.337 1.564 1.00 0.00 C ATOM 244 CG2 VAL A 16 6.957 -11.903 2.039 1.00 0.00 C ATOM 0 H VAL A 16 6.847 -10.296 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 16 7.048 -13.123 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 16 5.126 -11.234 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.610 -13.167 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.124 -13.498 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.615 -14.217 1.551 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.592 -11.736 3.052 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.596 -12.786 2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.530 -11.035 1.713 1.00 0.00 H new ATOM 254 N ILE A 17 4.517 -11.913 -1.958 1.00 0.00 N ATOM 255 CA ILE A 17 3.387 -12.317 -2.853 1.00 0.00 C ATOM 256 C ILE A 17 3.916 -13.114 -4.052 1.00 0.00 C ATOM 257 O ILE A 17 3.742 -14.318 -4.138 1.00 0.00 O ATOM 258 CB ILE A 17 2.658 -11.067 -3.337 1.00 0.00 C ATOM 259 CG1 ILE A 17 2.417 -10.158 -2.134 1.00 0.00 C ATOM 260 CG2 ILE A 17 1.324 -11.470 -3.970 1.00 0.00 C ATOM 261 CD1 ILE A 17 1.584 -8.942 -2.545 1.00 0.00 C ATOM 0 H ILE A 17 4.747 -10.919 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 17 2.696 -12.950 -2.296 1.00 0.00 H new ATOM 0 HB ILE A 17 3.253 -10.541 -4.083 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.902 -10.712 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.371 -9.831 -1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 17 0.802 -10.578 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.508 -12.134 -4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.711 -11.985 -3.230 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.420 -8.303 -1.677 1.00 0.00 H new ATOM 0 HD12 ILE A 17 2.115 -8.381 -3.314 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.623 -9.275 -2.937 1.00 0.00 H new ATOM 273 N GLU A 18 4.560 -12.459 -4.984 1.00 0.00 N ATOM 274 CA GLU A 18 5.096 -13.189 -6.173 1.00 0.00 C ATOM 275 C GLU A 18 5.822 -14.448 -5.698 1.00 0.00 C ATOM 276 O GLU A 18 5.897 -15.438 -6.399 1.00 0.00 O ATOM 277 CB GLU A 18 6.060 -12.269 -6.944 1.00 0.00 C ATOM 278 CG GLU A 18 5.621 -10.805 -6.765 1.00 0.00 C ATOM 279 CD GLU A 18 6.095 -9.960 -7.955 1.00 0.00 C ATOM 280 OE1 GLU A 18 7.271 -10.028 -8.273 1.00 0.00 O ATOM 281 OE2 GLU A 18 5.274 -9.259 -8.524 1.00 0.00 O ATOM 0 H GLU A 18 4.737 -11.455 -4.974 1.00 0.00 H new ATOM 0 HA GLU A 18 4.281 -13.477 -6.837 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.078 -12.402 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.064 -12.532 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.536 -10.751 -6.681 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.033 -10.405 -5.839 1.00 0.00 H new ATOM 288 N LYS A 19 6.340 -14.412 -4.499 1.00 0.00 N ATOM 289 CA LYS A 19 7.055 -15.604 -3.942 1.00 0.00 C ATOM 290 C LYS A 19 6.133 -16.330 -2.944 1.00 0.00 C ATOM 291 O LYS A 19 6.504 -17.335 -2.370 1.00 0.00 O ATOM 292 CB LYS A 19 8.361 -15.142 -3.247 1.00 0.00 C ATOM 293 CG LYS A 19 9.577 -15.429 -4.141 1.00 0.00 C ATOM 294 CD LYS A 19 9.524 -14.555 -5.413 1.00 0.00 C ATOM 295 CE LYS A 19 10.034 -13.125 -5.140 1.00 0.00 C ATOM 296 NZ LYS A 19 10.749 -12.623 -6.349 1.00 0.00 N ATOM 0 H LYS A 19 6.300 -13.605 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 19 7.314 -16.294 -4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.306 -14.075 -3.029 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.474 -15.657 -2.293 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.497 -15.228 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.594 -16.484 -4.416 1.00 0.00 H new ATOM 0 HD2 LYS A 19 10.127 -15.014 -6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.500 -14.512 -5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.199 -12.468 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.703 -13.122 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.096 -11.659 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.554 -13.247 -6.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.097 -12.613 -7.159 1.00 0.00 H new ATOM 310 N ALA A 20 4.931 -15.850 -2.751 1.00 0.00 N ATOM 311 CA ALA A 20 3.999 -16.543 -1.812 1.00 0.00 C ATOM 312 C ALA A 20 3.819 -17.971 -2.303 1.00 0.00 C ATOM 313 O ALA A 20 3.761 -18.904 -1.530 1.00 0.00 O ATOM 314 CB ALA A 20 2.632 -15.843 -1.793 1.00 0.00 C ATOM 0 H ALA A 20 4.557 -15.014 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 20 4.412 -16.522 -0.803 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.967 -16.362 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.757 -14.810 -1.468 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.201 -15.859 -2.794 1.00 0.00 H new ATOM 320 N ASP A 21 3.733 -18.125 -3.593 1.00 0.00 N ATOM 321 CA ASP A 21 3.564 -19.475 -4.206 1.00 0.00 C ATOM 322 C ASP A 21 2.284 -20.157 -3.696 1.00 0.00 C ATOM 323 O ASP A 21 1.863 -21.159 -4.239 1.00 0.00 O ATOM 324 CB ASP A 21 4.793 -20.348 -3.892 1.00 0.00 C ATOM 325 CG ASP A 21 5.933 -20.002 -4.855 1.00 0.00 C ATOM 326 OD1 ASP A 21 5.806 -20.314 -6.028 1.00 0.00 O ATOM 327 OD2 ASP A 21 6.911 -19.430 -4.404 1.00 0.00 O ATOM 0 H ASP A 21 3.773 -17.358 -4.264 1.00 0.00 H new ATOM 0 HA ASP A 21 3.474 -19.354 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.112 -20.186 -2.862 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.534 -21.403 -3.984 1.00 0.00 H new ATOM 332 N ASN A 22 1.641 -19.628 -2.678 1.00 0.00 N ATOM 333 CA ASN A 22 0.375 -20.271 -2.184 1.00 0.00 C ATOM 334 C ASN A 22 -0.577 -19.206 -1.637 1.00 0.00 C ATOM 335 O ASN A 22 -0.166 -18.246 -1.023 1.00 0.00 O ATOM 336 CB ASN A 22 0.663 -21.296 -1.077 1.00 0.00 C ATOM 337 CG ASN A 22 2.005 -21.948 -1.332 1.00 0.00 C ATOM 338 OD1 ASN A 22 2.104 -23.149 -1.482 1.00 0.00 O ATOM 339 ND2 ASN A 22 3.047 -21.191 -1.387 1.00 0.00 N ATOM 0 H ASN A 22 1.932 -18.791 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.084 -20.785 -3.029 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.664 -20.806 -0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.122 -22.052 -1.053 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.966 -21.600 -1.558 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.953 -20.183 -1.260 1.00 0.00 H new ATOM 346 N ALA A 23 -1.846 -19.388 -1.854 1.00 0.00 N ATOM 347 CA ALA A 23 -2.861 -18.407 -1.365 1.00 0.00 C ATOM 348 C ALA A 23 -2.773 -18.218 0.151 1.00 0.00 C ATOM 349 O ALA A 23 -3.242 -17.230 0.676 1.00 0.00 O ATOM 350 CB ALA A 23 -4.258 -18.914 -1.732 1.00 0.00 C ATOM 0 H ALA A 23 -2.233 -20.186 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.665 -17.444 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.007 -18.205 -1.379 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -4.336 -19.015 -2.815 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.428 -19.884 -1.264 1.00 0.00 H new ATOM 356 N ALA A 24 -2.195 -19.142 0.867 1.00 0.00 N ATOM 357 CA ALA A 24 -2.114 -18.976 2.347 1.00 0.00 C ATOM 358 C ALA A 24 -1.189 -17.801 2.686 1.00 0.00 C ATOM 359 O ALA A 24 -1.533 -16.926 3.455 1.00 0.00 O ATOM 360 CB ALA A 24 -1.570 -20.257 2.980 1.00 0.00 C ATOM 0 H ALA A 24 -1.779 -19.997 0.497 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.110 -18.775 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.512 -20.132 4.061 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.234 -21.089 2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.575 -20.464 2.585 1.00 0.00 H new ATOM 366 N GLN A 25 -0.012 -17.786 2.124 1.00 0.00 N ATOM 367 CA GLN A 25 0.947 -16.687 2.410 1.00 0.00 C ATOM 368 C GLN A 25 0.467 -15.372 1.776 1.00 0.00 C ATOM 369 O GLN A 25 0.893 -14.301 2.162 1.00 0.00 O ATOM 370 CB GLN A 25 2.324 -17.063 1.842 1.00 0.00 C ATOM 371 CG GLN A 25 2.540 -18.581 1.943 1.00 0.00 C ATOM 372 CD GLN A 25 4.038 -18.900 1.860 1.00 0.00 C ATOM 373 OE1 GLN A 25 4.615 -19.410 2.799 1.00 0.00 O ATOM 374 NE2 GLN A 25 4.691 -18.622 0.766 1.00 0.00 N ATOM 0 H GLN A 25 0.327 -18.495 1.474 1.00 0.00 H new ATOM 0 HA GLN A 25 1.015 -16.545 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.396 -16.746 0.802 1.00 0.00 H new ATOM 0 HB3 GLN A 25 3.107 -16.539 2.390 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.131 -18.954 2.882 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.006 -19.088 1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 25 4.206 -18.194 -0.023 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.687 -18.833 0.699 1.00 0.00 H new ATOM 383 N VAL A 26 -0.408 -15.436 0.810 1.00 0.00 N ATOM 384 CA VAL A 26 -0.890 -14.170 0.170 1.00 0.00 C ATOM 385 C VAL A 26 -1.767 -13.425 1.167 1.00 0.00 C ATOM 386 O VAL A 26 -1.592 -12.242 1.381 1.00 0.00 O ATOM 387 CB VAL A 26 -1.700 -14.455 -1.106 1.00 0.00 C ATOM 388 CG1 VAL A 26 -2.125 -13.135 -1.776 1.00 0.00 C ATOM 389 CG2 VAL A 26 -0.836 -15.235 -2.098 1.00 0.00 C ATOM 0 H VAL A 26 -0.808 -16.297 0.437 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.024 -13.570 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.583 -15.031 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.697 -13.352 -2.678 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.741 -12.558 -1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.238 -12.559 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.411 -15.436 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.046 -14.647 -2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.526 -16.178 -1.648 1.00 0.00 H new ATOM 399 N LYS A 27 -2.697 -14.090 1.811 1.00 0.00 N ATOM 400 CA LYS A 27 -3.527 -13.360 2.801 1.00 0.00 C ATOM 401 C LYS A 27 -2.563 -12.727 3.784 1.00 0.00 C ATOM 402 O LYS A 27 -2.546 -11.535 4.010 1.00 0.00 O ATOM 403 CB LYS A 27 -4.391 -14.330 3.603 1.00 0.00 C ATOM 404 CG LYS A 27 -5.459 -15.026 2.720 1.00 0.00 C ATOM 405 CD LYS A 27 -5.364 -16.548 2.915 1.00 0.00 C ATOM 406 CE LYS A 27 -5.676 -16.917 4.373 1.00 0.00 C ATOM 407 NZ LYS A 27 -6.268 -18.285 4.423 1.00 0.00 N ATOM 0 H LYS A 27 -2.909 -15.081 1.694 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.165 -12.641 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.755 -15.085 4.065 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.885 -13.791 4.412 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.455 -14.675 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.303 -14.771 1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.063 -17.052 2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.365 -16.894 2.651 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.766 -16.881 4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.369 -16.193 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.480 -18.536 5.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.145 -18.304 3.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.592 -18.970 4.029 1.00 0.00 H new ATOM 421 N ASP A 28 -1.749 -13.563 4.352 1.00 0.00 N ATOM 422 CA ASP A 28 -0.741 -13.108 5.334 1.00 0.00 C ATOM 423 C ASP A 28 0.090 -11.976 4.734 1.00 0.00 C ATOM 424 O ASP A 28 0.520 -11.076 5.427 1.00 0.00 O ATOM 425 CB ASP A 28 0.182 -14.280 5.659 1.00 0.00 C ATOM 426 CG ASP A 28 -0.644 -15.443 6.215 1.00 0.00 C ATOM 427 OD1 ASP A 28 -1.834 -15.258 6.407 1.00 0.00 O ATOM 428 OD2 ASP A 28 -0.072 -16.497 6.440 1.00 0.00 O ATOM 0 H ASP A 28 -1.742 -14.567 4.171 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.240 -12.751 6.235 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.716 -14.595 4.763 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.934 -13.974 6.386 1.00 0.00 H new ATOM 433 N ALA A 29 0.334 -12.020 3.454 1.00 0.00 N ATOM 434 CA ALA A 29 1.149 -10.950 2.826 1.00 0.00 C ATOM 435 C ALA A 29 0.367 -9.637 2.840 1.00 0.00 C ATOM 436 O ALA A 29 0.743 -8.683 3.492 1.00 0.00 O ATOM 437 CB ALA A 29 1.479 -11.327 1.380 1.00 0.00 C ATOM 0 H ALA A 29 0.005 -12.748 2.820 1.00 0.00 H new ATOM 0 HA ALA A 29 2.075 -10.832 3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.077 -10.537 0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.041 -12.261 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.554 -11.452 0.816 1.00 0.00 H new ATOM 443 N LEU A 30 -0.718 -9.579 2.116 1.00 0.00 N ATOM 444 CA LEU A 30 -1.521 -8.328 2.074 1.00 0.00 C ATOM 445 C LEU A 30 -2.049 -7.996 3.478 1.00 0.00 C ATOM 446 O LEU A 30 -2.424 -6.875 3.759 1.00 0.00 O ATOM 447 CB LEU A 30 -2.695 -8.513 1.105 1.00 0.00 C ATOM 448 CG LEU A 30 -2.167 -8.593 -0.340 1.00 0.00 C ATOM 449 CD1 LEU A 30 -3.260 -9.183 -1.241 1.00 0.00 C ATOM 450 CD2 LEU A 30 -1.752 -7.187 -0.858 1.00 0.00 C ATOM 0 H LEU A 30 -1.082 -10.347 1.551 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.893 -7.505 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.244 -9.421 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.394 -7.682 1.202 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.285 -9.233 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.894 -9.243 -2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.521 -10.181 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.143 -8.544 -1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.383 -7.270 -1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.615 -6.522 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.966 -6.782 -0.220 1.00 0.00 H new ATOM 462 N THR A 31 -2.071 -8.957 4.365 1.00 0.00 N ATOM 463 CA THR A 31 -2.563 -8.689 5.751 1.00 0.00 C ATOM 464 C THR A 31 -1.655 -7.661 6.417 1.00 0.00 C ATOM 465 O THR A 31 -2.101 -6.672 6.962 1.00 0.00 O ATOM 466 CB THR A 31 -2.513 -9.979 6.574 1.00 0.00 C ATOM 467 OG1 THR A 31 -3.451 -10.912 6.057 1.00 0.00 O ATOM 468 CG2 THR A 31 -2.854 -9.681 8.037 1.00 0.00 C ATOM 0 H THR A 31 -1.770 -9.916 4.190 1.00 0.00 H new ATOM 0 HA THR A 31 -3.586 -8.317 5.700 1.00 0.00 H new ATOM 0 HB THR A 31 -1.508 -10.396 6.515 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.346 -10.977 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.816 -10.604 8.615 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.133 -8.970 8.441 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.856 -9.256 8.098 1.00 0.00 H new ATOM 476 N LYS A 32 -0.378 -7.905 6.384 1.00 0.00 N ATOM 477 CA LYS A 32 0.580 -6.971 7.020 1.00 0.00 C ATOM 478 C LYS A 32 0.629 -5.669 6.214 1.00 0.00 C ATOM 479 O LYS A 32 0.937 -4.617 6.736 1.00 0.00 O ATOM 480 CB LYS A 32 1.955 -7.642 7.044 1.00 0.00 C ATOM 481 CG LYS A 32 2.027 -8.646 8.207 1.00 0.00 C ATOM 482 CD LYS A 32 3.443 -9.263 8.299 1.00 0.00 C ATOM 483 CE LYS A 32 4.295 -8.496 9.319 1.00 0.00 C ATOM 484 NZ LYS A 32 4.040 -7.034 9.188 1.00 0.00 N ATOM 0 H LYS A 32 0.045 -8.720 5.939 1.00 0.00 H new ATOM 0 HA LYS A 32 0.272 -6.734 8.038 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.136 -8.154 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.735 -6.889 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 32 1.780 -8.146 9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.288 -9.434 8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.372 -10.311 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.923 -9.236 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.056 -8.828 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.352 -8.707 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.656 -6.514 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.241 -6.733 8.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.045 -6.834 9.414 1.00 0.00 H new ATOM 498 N MET A 33 0.298 -5.723 4.953 1.00 0.00 N ATOM 499 CA MET A 33 0.295 -4.476 4.135 1.00 0.00 C ATOM 500 C MET A 33 -0.798 -3.572 4.657 1.00 0.00 C ATOM 501 O MET A 33 -0.564 -2.477 5.127 1.00 0.00 O ATOM 502 CB MET A 33 -0.036 -4.812 2.691 1.00 0.00 C ATOM 503 CG MET A 33 1.113 -5.593 2.078 1.00 0.00 C ATOM 504 SD MET A 33 0.904 -5.686 0.285 1.00 0.00 S ATOM 505 CE MET A 33 1.629 -4.076 -0.117 1.00 0.00 C ATOM 0 H MET A 33 0.031 -6.572 4.455 1.00 0.00 H new ATOM 0 HA MET A 33 1.273 -3.998 4.194 1.00 0.00 H new ATOM 0 HB2 MET A 33 -0.954 -5.398 2.644 1.00 0.00 H new ATOM 0 HB3 MET A 33 -0.212 -3.898 2.124 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.061 -5.111 2.318 1.00 0.00 H new ATOM 0 HG3 MET A 33 1.149 -6.597 2.501 1.00 0.00 H new ATOM 0 HE1 MET A 33 1.831 -4.025 -1.187 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.933 -3.284 0.159 1.00 0.00 H new ATOM 0 HE3 MET A 33 2.561 -3.949 0.434 1.00 0.00 H new ATOM 515 N ARG A 34 -2.006 -4.049 4.576 1.00 0.00 N ATOM 516 CA ARG A 34 -3.168 -3.259 5.064 1.00 0.00 C ATOM 517 C ARG A 34 -2.814 -2.731 6.450 1.00 0.00 C ATOM 518 O ARG A 34 -3.275 -1.695 6.882 1.00 0.00 O ATOM 519 CB ARG A 34 -4.409 -4.182 5.137 1.00 0.00 C ATOM 520 CG ARG A 34 -5.744 -3.376 5.024 1.00 0.00 C ATOM 521 CD ARG A 34 -6.576 -3.857 3.821 1.00 0.00 C ATOM 522 NE ARG A 34 -7.623 -2.853 3.499 1.00 0.00 N ATOM 523 CZ ARG A 34 -8.688 -2.749 4.251 1.00 0.00 C ATOM 524 NH1 ARG A 34 -8.838 -3.534 5.283 1.00 0.00 N ATOM 525 NH2 ARG A 34 -9.609 -1.867 3.965 1.00 0.00 N ATOM 0 H ARG A 34 -2.241 -4.963 4.188 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.393 -2.428 4.396 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.361 -4.919 4.335 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.396 -4.733 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.322 -3.492 5.941 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.524 -2.314 4.918 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.929 -4.010 2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.038 -4.818 4.048 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.511 -2.243 2.689 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.124 -4.229 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.669 -3.453 5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.498 -1.258 3.154 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.439 -1.787 4.553 1.00 0.00 H new ATOM 539 N ALA A 35 -1.970 -3.450 7.136 1.00 0.00 N ATOM 540 CA ALA A 35 -1.545 -3.021 8.496 1.00 0.00 C ATOM 541 C ALA A 35 -0.538 -1.870 8.390 1.00 0.00 C ATOM 542 O ALA A 35 -0.808 -0.757 8.801 1.00 0.00 O ATOM 543 CB ALA A 35 -0.905 -4.200 9.234 1.00 0.00 C ATOM 0 H ALA A 35 -1.554 -4.322 6.810 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.419 -2.680 9.051 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.595 -3.881 10.229 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.628 -5.011 9.321 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.035 -4.549 8.678 1.00 0.00 H new ATOM 549 N ALA A 36 0.630 -2.124 7.853 1.00 0.00 N ATOM 550 CA ALA A 36 1.641 -1.033 7.748 1.00 0.00 C ATOM 551 C ALA A 36 1.115 0.083 6.847 1.00 0.00 C ATOM 552 O ALA A 36 1.444 1.239 7.027 1.00 0.00 O ATOM 553 CB ALA A 36 2.941 -1.594 7.171 1.00 0.00 C ATOM 0 H ALA A 36 0.923 -3.030 7.487 1.00 0.00 H new ATOM 0 HA ALA A 36 1.831 -0.625 8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.679 -0.796 7.095 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.321 -2.378 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.751 -2.008 6.181 1.00 0.00 H new ATOM 559 N ALA A 37 0.299 -0.241 5.886 1.00 0.00 N ATOM 560 CA ALA A 37 -0.240 0.822 4.997 1.00 0.00 C ATOM 561 C ALA A 37 -1.006 1.830 5.855 1.00 0.00 C ATOM 562 O ALA A 37 -0.882 3.029 5.688 1.00 0.00 O ATOM 563 CB ALA A 37 -1.182 0.197 3.968 1.00 0.00 C ATOM 0 H ALA A 37 -0.016 -1.189 5.678 1.00 0.00 H new ATOM 0 HA ALA A 37 0.574 1.323 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.577 0.976 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.636 -0.533 3.371 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.006 -0.298 4.482 1.00 0.00 H new ATOM 569 N LEU A 38 -1.789 1.352 6.782 1.00 0.00 N ATOM 570 CA LEU A 38 -2.555 2.281 7.654 1.00 0.00 C ATOM 571 C LEU A 38 -1.571 3.063 8.523 1.00 0.00 C ATOM 572 O LEU A 38 -1.878 4.130 9.020 1.00 0.00 O ATOM 573 CB LEU A 38 -3.511 1.486 8.557 1.00 0.00 C ATOM 574 CG LEU A 38 -4.695 0.930 7.737 1.00 0.00 C ATOM 575 CD1 LEU A 38 -5.326 -0.259 8.474 1.00 0.00 C ATOM 576 CD2 LEU A 38 -5.769 2.010 7.542 1.00 0.00 C ATOM 0 H LEU A 38 -1.930 0.360 6.972 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.137 2.965 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.973 0.665 9.032 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.884 2.128 9.355 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.317 0.613 6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.161 -0.647 7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.580 -1.043 8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.686 0.067 9.450 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.596 1.600 6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.136 2.338 8.515 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.339 2.859 7.011 1.00 0.00 H new ATOM 588 N ASP A 39 -0.388 2.541 8.716 1.00 0.00 N ATOM 589 CA ASP A 39 0.612 3.261 9.557 1.00 0.00 C ATOM 590 C ASP A 39 1.339 4.309 8.712 1.00 0.00 C ATOM 591 O ASP A 39 1.524 5.434 9.132 1.00 0.00 O ATOM 592 CB ASP A 39 1.627 2.259 10.111 1.00 0.00 C ATOM 593 CG ASP A 39 2.635 2.993 10.996 1.00 0.00 C ATOM 594 OD1 ASP A 39 3.225 3.950 10.522 1.00 0.00 O ATOM 595 OD2 ASP A 39 2.800 2.587 12.135 1.00 0.00 O ATOM 0 H ASP A 39 -0.072 1.651 8.329 1.00 0.00 H new ATOM 0 HA ASP A 39 0.100 3.756 10.382 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.116 1.487 10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.143 1.757 9.292 1.00 0.00 H new ATOM 600 N ALA A 40 1.754 3.954 7.526 1.00 0.00 N ATOM 601 CA ALA A 40 2.467 4.942 6.666 1.00 0.00 C ATOM 602 C ALA A 40 1.591 6.185 6.505 1.00 0.00 C ATOM 603 O ALA A 40 2.068 7.262 6.217 1.00 0.00 O ATOM 604 CB ALA A 40 2.741 4.327 5.290 1.00 0.00 C ATOM 0 H ALA A 40 1.631 3.028 7.117 1.00 0.00 H new ATOM 0 HA ALA A 40 3.415 5.215 7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.262 5.052 4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.359 3.437 5.406 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.797 4.054 4.819 1.00 0.00 H new ATOM 610 N GLN A 41 0.312 6.041 6.695 1.00 0.00 N ATOM 611 CA GLN A 41 -0.603 7.205 6.558 1.00 0.00 C ATOM 612 C GLN A 41 -0.047 8.403 7.341 1.00 0.00 C ATOM 613 O GLN A 41 0.072 9.494 6.822 1.00 0.00 O ATOM 614 CB GLN A 41 -1.973 6.816 7.125 1.00 0.00 C ATOM 615 CG GLN A 41 -2.913 8.037 7.129 1.00 0.00 C ATOM 616 CD GLN A 41 -2.764 8.811 8.442 1.00 0.00 C ATOM 617 OE1 GLN A 41 -3.262 8.391 9.468 1.00 0.00 O ATOM 618 NE2 GLN A 41 -2.093 9.928 8.452 1.00 0.00 N ATOM 0 H GLN A 41 -0.142 5.161 6.941 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.693 7.482 5.508 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.408 6.015 6.527 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.859 6.432 8.139 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.681 8.688 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.946 7.711 7.005 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.675 10.280 7.590 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.985 10.451 9.321 1.00 0.00 H new ATOM 627 N LYS A 42 0.287 8.208 8.587 1.00 0.00 N ATOM 628 CA LYS A 42 0.826 9.337 9.407 1.00 0.00 C ATOM 629 C LYS A 42 2.216 9.726 8.896 1.00 0.00 C ATOM 630 O LYS A 42 2.880 10.571 9.464 1.00 0.00 O ATOM 631 CB LYS A 42 0.947 8.910 10.878 1.00 0.00 C ATOM 632 CG LYS A 42 -0.448 8.742 11.531 1.00 0.00 C ATOM 633 CD LYS A 42 -0.969 7.293 11.363 1.00 0.00 C ATOM 634 CE LYS A 42 -0.698 6.479 12.633 1.00 0.00 C ATOM 635 NZ LYS A 42 0.771 6.393 12.879 1.00 0.00 N ATOM 0 H LYS A 42 0.211 7.316 9.076 1.00 0.00 H new ATOM 0 HA LYS A 42 0.145 10.184 9.325 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.497 7.971 10.942 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.522 9.654 11.429 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.390 8.991 12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.152 9.440 11.078 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.038 7.306 11.153 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.482 6.821 10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.191 6.945 13.486 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.117 5.478 12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.956 5.705 13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.251 6.087 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.131 7.326 13.163 1.00 0.00 H new ATOM 649 N ALA A 43 2.669 9.116 7.835 1.00 0.00 N ATOM 650 CA ALA A 43 4.023 9.453 7.303 1.00 0.00 C ATOM 651 C ALA A 43 3.951 10.707 6.428 1.00 0.00 C ATOM 652 O ALA A 43 2.955 10.972 5.783 1.00 0.00 O ATOM 653 CB ALA A 43 4.550 8.280 6.473 1.00 0.00 C ATOM 0 H ALA A 43 2.163 8.400 7.314 1.00 0.00 H new ATOM 0 HA ALA A 43 4.696 9.644 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.538 8.525 6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.617 7.391 7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.871 8.088 5.643 1.00 0.00 H new ATOM 659 N THR A 44 5.010 11.474 6.391 1.00 0.00 N ATOM 660 CA THR A 44 5.026 12.711 5.553 1.00 0.00 C ATOM 661 C THR A 44 6.467 12.995 5.121 1.00 0.00 C ATOM 662 O THR A 44 7.079 13.947 5.562 1.00 0.00 O ATOM 663 CB THR A 44 4.493 13.904 6.368 1.00 0.00 C ATOM 664 OG1 THR A 44 4.897 13.766 7.722 1.00 0.00 O ATOM 665 CG2 THR A 44 2.964 13.951 6.297 1.00 0.00 C ATOM 0 H THR A 44 5.870 11.295 6.909 1.00 0.00 H new ATOM 0 HA THR A 44 4.393 12.568 4.678 1.00 0.00 H new ATOM 0 HB THR A 44 4.897 14.827 5.953 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.561 14.525 8.243 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.599 14.799 6.877 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.651 14.060 5.259 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.552 13.028 6.705 1.00 0.00 H new ATOM 673 N PRO A 45 7.003 12.172 4.259 1.00 0.00 N ATOM 674 CA PRO A 45 8.396 12.333 3.752 1.00 0.00 C ATOM 675 C PRO A 45 8.757 13.777 3.333 1.00 0.00 C ATOM 676 O PRO A 45 9.868 14.212 3.557 1.00 0.00 O ATOM 677 CB PRO A 45 8.473 11.379 2.548 1.00 0.00 C ATOM 678 CG PRO A 45 7.422 10.335 2.798 1.00 0.00 C ATOM 679 CD PRO A 45 6.342 10.981 3.682 1.00 0.00 C ATOM 0 HA PRO A 45 9.114 12.106 4.540 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.286 11.909 1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.462 10.929 2.466 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.993 9.988 1.858 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.854 9.465 3.292 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.464 11.258 3.098 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.005 10.297 4.461 1.00 0.00 H new ATOM 687 N PRO A 46 7.860 14.515 2.710 1.00 0.00 N ATOM 688 CA PRO A 46 8.145 15.891 2.252 1.00 0.00 C ATOM 689 C PRO A 46 7.619 16.959 3.220 1.00 0.00 C ATOM 690 O PRO A 46 8.278 17.337 4.168 1.00 0.00 O ATOM 691 CB PRO A 46 7.388 15.936 0.919 1.00 0.00 C ATOM 692 CG PRO A 46 6.202 15.016 1.101 1.00 0.00 C ATOM 693 CD PRO A 46 6.479 14.161 2.356 1.00 0.00 C ATOM 0 HA PRO A 46 9.211 16.104 2.178 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.066 16.950 0.684 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.021 15.604 0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.284 15.591 1.221 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.068 14.382 0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.785 14.395 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.378 13.096 2.147 1.00 0.00 H new ATOM 701 N LYS A 47 6.437 17.453 2.970 1.00 0.00 N ATOM 702 CA LYS A 47 5.849 18.509 3.846 1.00 0.00 C ATOM 703 C LYS A 47 4.389 18.727 3.426 1.00 0.00 C ATOM 704 O LYS A 47 4.111 19.131 2.315 1.00 0.00 O ATOM 705 CB LYS A 47 6.638 19.852 3.713 1.00 0.00 C ATOM 706 CG LYS A 47 7.654 19.799 2.549 1.00 0.00 C ATOM 707 CD LYS A 47 7.999 21.233 2.078 1.00 0.00 C ATOM 708 CE LYS A 47 9.449 21.296 1.583 1.00 0.00 C ATOM 709 NZ LYS A 47 9.696 22.620 0.943 1.00 0.00 N ATOM 0 H LYS A 47 5.847 17.168 2.188 1.00 0.00 H new ATOM 0 HA LYS A 47 5.907 18.186 4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.938 20.672 3.550 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.162 20.061 4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.560 19.285 2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.239 19.225 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.321 21.534 1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.857 21.937 2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.136 21.148 2.416 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.637 20.494 0.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.225 22.484 0.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.787 23.080 0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.249 23.220 1.588 1.00 0.00 H new ATOM 723 N LEU A 48 3.451 18.463 4.301 1.00 0.00 N ATOM 724 CA LEU A 48 2.024 18.661 3.936 1.00 0.00 C ATOM 725 C LEU A 48 1.675 20.141 4.104 1.00 0.00 C ATOM 726 O LEU A 48 0.566 20.566 3.848 1.00 0.00 O ATOM 727 CB LEU A 48 1.146 17.787 4.855 1.00 0.00 C ATOM 728 CG LEU A 48 -0.034 17.204 4.072 1.00 0.00 C ATOM 729 CD1 LEU A 48 -0.748 16.166 4.939 1.00 0.00 C ATOM 730 CD2 LEU A 48 -1.020 18.317 3.689 1.00 0.00 C ATOM 0 H LEU A 48 3.615 18.120 5.248 1.00 0.00 H new ATOM 0 HA LEU A 48 1.847 18.370 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.744 16.980 5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.777 18.383 5.690 1.00 0.00 H new ATOM 0 HG LEU A 48 0.338 16.735 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.589 15.747 4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.052 15.369 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.112 16.641 5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.854 17.889 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.395 18.798 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.512 19.056 3.069 1.00 0.00 H new ATOM 742 N GLU A 49 2.633 20.934 4.496 1.00 0.00 N ATOM 743 CA GLU A 49 2.393 22.399 4.640 1.00 0.00 C ATOM 744 C GLU A 49 2.933 23.063 3.384 1.00 0.00 C ATOM 745 O GLU A 49 3.410 24.180 3.408 1.00 0.00 O ATOM 746 CB GLU A 49 3.143 22.937 5.864 1.00 0.00 C ATOM 747 CG GLU A 49 2.580 22.305 7.139 1.00 0.00 C ATOM 748 CD GLU A 49 3.088 23.075 8.359 1.00 0.00 C ATOM 749 OE1 GLU A 49 4.194 23.587 8.296 1.00 0.00 O ATOM 750 OE2 GLU A 49 2.362 23.142 9.338 1.00 0.00 O ATOM 0 H GLU A 49 3.579 20.629 4.725 1.00 0.00 H new ATOM 0 HA GLU A 49 1.331 22.604 4.772 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.206 22.715 5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.047 24.022 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.490 22.320 7.114 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.883 21.260 7.204 1.00 0.00 H new ATOM 757 N ASP A 50 2.889 22.358 2.281 1.00 0.00 N ATOM 758 CA ASP A 50 3.433 22.921 1.012 1.00 0.00 C ATOM 759 C ASP A 50 2.638 22.403 -0.188 1.00 0.00 C ATOM 760 O ASP A 50 2.159 23.170 -0.998 1.00 0.00 O ATOM 761 CB ASP A 50 4.899 22.493 0.894 1.00 0.00 C ATOM 762 CG ASP A 50 5.656 23.455 -0.028 1.00 0.00 C ATOM 763 OD1 ASP A 50 5.176 23.694 -1.124 1.00 0.00 O ATOM 764 OD2 ASP A 50 6.701 23.933 0.378 1.00 0.00 O ATOM 0 H ASP A 50 2.500 21.418 2.207 1.00 0.00 H new ATOM 0 HA ASP A 50 3.354 24.008 1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.363 22.481 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.959 21.478 0.502 1.00 0.00 H new ATOM 769 N LYS A 51 2.502 21.116 -0.320 1.00 0.00 N ATOM 770 CA LYS A 51 1.747 20.576 -1.480 1.00 0.00 C ATOM 771 C LYS A 51 0.276 21.001 -1.373 1.00 0.00 C ATOM 772 O LYS A 51 -0.054 21.933 -0.666 1.00 0.00 O ATOM 773 CB LYS A 51 1.902 19.047 -1.513 1.00 0.00 C ATOM 774 CG LYS A 51 1.079 18.380 -0.400 1.00 0.00 C ATOM 775 CD LYS A 51 1.116 16.855 -0.572 1.00 0.00 C ATOM 776 CE LYS A 51 2.566 16.356 -0.605 1.00 0.00 C ATOM 777 NZ LYS A 51 2.604 14.918 -0.219 1.00 0.00 N ATOM 0 H LYS A 51 2.879 20.418 0.321 1.00 0.00 H new ATOM 0 HA LYS A 51 2.141 20.975 -2.415 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.581 18.667 -2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.953 18.783 -1.399 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.479 18.655 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.049 18.735 -0.434 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.579 16.377 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.607 16.574 -1.494 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.985 16.487 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.180 16.943 0.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.094 14.816 0.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.633 14.556 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.112 14.376 -0.947 1.00 0.00 H new ATOM 791 N SER A 52 -0.613 20.337 -2.063 1.00 0.00 N ATOM 792 CA SER A 52 -2.047 20.727 -1.985 1.00 0.00 C ATOM 793 C SER A 52 -2.625 20.280 -0.627 1.00 0.00 C ATOM 794 O SER A 52 -2.605 19.107 -0.311 1.00 0.00 O ATOM 795 CB SER A 52 -2.821 20.043 -3.113 1.00 0.00 C ATOM 796 OG SER A 52 -4.213 20.258 -2.925 1.00 0.00 O ATOM 0 H SER A 52 -0.408 19.546 -2.673 1.00 0.00 H new ATOM 0 HA SER A 52 -2.137 21.809 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.507 20.441 -4.078 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.604 18.975 -3.123 1.00 0.00 H new ATOM 0 HG SER A 52 -4.712 19.822 -3.647 1.00 0.00 H new ATOM 802 N PRO A 53 -3.136 21.188 0.183 1.00 0.00 N ATOM 803 CA PRO A 53 -3.711 20.833 1.515 1.00 0.00 C ATOM 804 C PRO A 53 -5.163 20.356 1.402 1.00 0.00 C ATOM 805 O PRO A 53 -5.665 19.662 2.261 1.00 0.00 O ATOM 806 CB PRO A 53 -3.647 22.159 2.269 1.00 0.00 C ATOM 807 CG PRO A 53 -3.912 23.177 1.212 1.00 0.00 C ATOM 808 CD PRO A 53 -3.227 22.648 -0.055 1.00 0.00 C ATOM 0 HA PRO A 53 -3.176 20.016 2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.391 22.204 3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.673 22.309 2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.983 23.307 1.053 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.512 24.150 1.496 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.808 22.873 -0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -2.242 23.094 -0.194 1.00 0.00 H new ATOM 816 N ASP A 54 -5.834 20.736 0.351 1.00 0.00 N ATOM 817 CA ASP A 54 -7.254 20.323 0.175 1.00 0.00 C ATOM 818 C ASP A 54 -8.101 20.950 1.295 1.00 0.00 C ATOM 819 O ASP A 54 -7.923 22.106 1.623 1.00 0.00 O ATOM 820 CB ASP A 54 -7.341 18.787 0.194 1.00 0.00 C ATOM 821 CG ASP A 54 -8.615 18.332 -0.526 1.00 0.00 C ATOM 822 OD1 ASP A 54 -9.595 19.057 -0.471 1.00 0.00 O ATOM 823 OD2 ASP A 54 -8.586 17.269 -1.123 1.00 0.00 O ATOM 0 H ASP A 54 -5.458 21.318 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 54 -7.640 20.672 -0.783 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.465 18.358 -0.291 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.345 18.426 1.223 1.00 0.00 H new ATOM 828 N SER A 55 -9.024 20.227 1.887 1.00 0.00 N ATOM 829 CA SER A 55 -9.851 20.851 2.965 1.00 0.00 C ATOM 830 C SER A 55 -10.551 19.794 3.848 1.00 0.00 C ATOM 831 O SER A 55 -10.659 19.988 5.041 1.00 0.00 O ATOM 832 CB SER A 55 -10.907 21.766 2.318 1.00 0.00 C ATOM 833 OG SER A 55 -12.143 21.642 3.014 1.00 0.00 O ATOM 0 H SER A 55 -9.236 19.252 1.675 1.00 0.00 H new ATOM 0 HA SER A 55 -9.187 21.426 3.611 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.568 22.802 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.041 21.498 1.270 1.00 0.00 H new ATOM 0 HG SER A 55 -12.812 22.227 2.600 1.00 0.00 H new ATOM 839 N PRO A 56 -11.047 18.707 3.294 1.00 0.00 N ATOM 840 CA PRO A 56 -11.763 17.647 4.084 1.00 0.00 C ATOM 841 C PRO A 56 -11.020 17.184 5.336 1.00 0.00 C ATOM 842 O PRO A 56 -10.545 16.072 5.391 1.00 0.00 O ATOM 843 CB PRO A 56 -11.897 16.504 3.079 1.00 0.00 C ATOM 844 CG PRO A 56 -12.035 17.217 1.782 1.00 0.00 C ATOM 845 CD PRO A 56 -11.004 18.339 1.864 1.00 0.00 C ATOM 0 HA PRO A 56 -12.708 18.021 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.024 15.852 3.090 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -12.765 15.879 3.291 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.837 16.554 0.940 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.043 17.610 1.648 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.013 18.002 1.561 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.266 19.179 1.221 1.00 0.00 H new ATOM 853 N GLU A 57 -10.933 18.022 6.344 1.00 0.00 N ATOM 854 CA GLU A 57 -10.228 17.631 7.607 1.00 0.00 C ATOM 855 C GLU A 57 -8.978 16.826 7.259 1.00 0.00 C ATOM 856 O GLU A 57 -8.590 15.924 7.972 1.00 0.00 O ATOM 857 CB GLU A 57 -11.163 16.778 8.470 1.00 0.00 C ATOM 858 CG GLU A 57 -12.451 17.558 8.753 1.00 0.00 C ATOM 859 CD GLU A 57 -13.422 16.681 9.548 1.00 0.00 C ATOM 860 OE1 GLU A 57 -13.126 15.512 9.727 1.00 0.00 O ATOM 861 OE2 GLU A 57 -14.448 17.196 9.962 1.00 0.00 O ATOM 0 H GLU A 57 -11.322 18.965 6.345 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.943 18.526 8.159 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.396 15.844 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -10.671 16.515 9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.223 18.465 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.912 17.870 7.816 1.00 0.00 H new ATOM 868 N MET A 58 -8.375 17.134 6.141 1.00 0.00 N ATOM 869 CA MET A 58 -7.173 16.394 5.690 1.00 0.00 C ATOM 870 C MET A 58 -7.556 14.945 5.397 1.00 0.00 C ATOM 871 O MET A 58 -6.786 14.189 4.837 1.00 0.00 O ATOM 872 CB MET A 58 -6.078 16.448 6.756 1.00 0.00 C ATOM 873 CG MET A 58 -5.902 17.885 7.285 1.00 0.00 C ATOM 874 SD MET A 58 -6.852 18.105 8.815 1.00 0.00 S ATOM 875 CE MET A 58 -5.482 17.919 9.986 1.00 0.00 C ATOM 0 H MET A 58 -8.675 17.881 5.515 1.00 0.00 H new ATOM 0 HA MET A 58 -6.786 16.858 4.783 1.00 0.00 H new ATOM 0 HB2 MET A 58 -6.332 15.781 7.580 1.00 0.00 H new ATOM 0 HB3 MET A 58 -5.137 16.092 6.336 1.00 0.00 H new ATOM 0 HG2 MET A 58 -4.847 18.086 7.470 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.236 18.601 6.534 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.875 17.650 10.966 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.809 17.136 9.637 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.936 18.860 10.060 1.00 0.00 H new ATOM 885 N LYS A 59 -8.756 14.563 5.742 1.00 0.00 N ATOM 886 CA LYS A 59 -9.223 13.178 5.475 1.00 0.00 C ATOM 887 C LYS A 59 -8.907 12.821 4.034 1.00 0.00 C ATOM 888 O LYS A 59 -8.413 11.756 3.731 1.00 0.00 O ATOM 889 CB LYS A 59 -10.747 13.127 5.660 1.00 0.00 C ATOM 890 CG LYS A 59 -11.254 11.653 5.666 1.00 0.00 C ATOM 891 CD LYS A 59 -12.228 11.408 4.505 1.00 0.00 C ATOM 892 CE LYS A 59 -12.462 9.904 4.344 1.00 0.00 C ATOM 893 NZ LYS A 59 -13.062 9.355 5.593 1.00 0.00 N ATOM 0 H LYS A 59 -9.440 15.163 6.204 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.731 12.483 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.021 13.614 6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.234 13.681 4.857 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.407 10.972 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.748 11.437 6.613 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -13.173 11.916 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.823 11.825 3.583 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.124 9.717 3.498 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.520 9.400 4.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.422 8.396 5.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.338 9.319 6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.845 9.967 5.900 1.00 0.00 H new ATOM 907 N ASP A 60 -9.200 13.720 3.147 1.00 0.00 N ATOM 908 CA ASP A 60 -8.944 13.468 1.715 1.00 0.00 C ATOM 909 C ASP A 60 -7.481 13.049 1.522 1.00 0.00 C ATOM 910 O ASP A 60 -7.163 12.286 0.630 1.00 0.00 O ATOM 911 CB ASP A 60 -9.282 14.749 0.946 1.00 0.00 C ATOM 912 CG ASP A 60 -8.607 14.748 -0.431 1.00 0.00 C ATOM 913 OD1 ASP A 60 -7.406 14.958 -0.481 1.00 0.00 O ATOM 914 OD2 ASP A 60 -9.303 14.535 -1.409 1.00 0.00 O ATOM 0 H ASP A 60 -9.611 14.629 3.358 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.564 12.655 1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.362 14.833 0.827 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.955 15.619 1.516 1.00 0.00 H new ATOM 919 N PHE A 61 -6.592 13.498 2.368 1.00 0.00 N ATOM 920 CA PHE A 61 -5.173 13.066 2.235 1.00 0.00 C ATOM 921 C PHE A 61 -5.095 11.622 2.728 1.00 0.00 C ATOM 922 O PHE A 61 -4.654 10.724 2.033 1.00 0.00 O ATOM 923 CB PHE A 61 -4.274 13.969 3.087 1.00 0.00 C ATOM 924 CG PHE A 61 -2.820 13.790 2.689 1.00 0.00 C ATOM 925 CD1 PHE A 61 -2.394 14.137 1.399 1.00 0.00 C ATOM 926 CD2 PHE A 61 -1.894 13.287 3.617 1.00 0.00 C ATOM 927 CE1 PHE A 61 -1.049 13.979 1.038 1.00 0.00 C ATOM 928 CE2 PHE A 61 -0.550 13.131 3.253 1.00 0.00 C ATOM 929 CZ PHE A 61 -0.127 13.476 1.964 1.00 0.00 C ATOM 0 H PHE A 61 -6.785 14.139 3.138 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.836 13.136 1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.568 15.011 2.959 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -4.402 13.729 4.143 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.103 14.526 0.683 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.218 13.020 4.612 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.723 14.246 0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 61 0.161 12.744 3.968 1.00 0.00 H new ATOM 0 HZ PHE A 61 0.909 13.354 1.684 1.00 0.00 H new ATOM 939 N ARG A 62 -5.557 11.397 3.926 1.00 0.00 N ATOM 940 CA ARG A 62 -5.561 10.024 4.492 1.00 0.00 C ATOM 941 C ARG A 62 -6.419 9.131 3.591 1.00 0.00 C ATOM 942 O ARG A 62 -6.186 7.946 3.466 1.00 0.00 O ATOM 943 CB ARG A 62 -6.140 10.088 5.911 1.00 0.00 C ATOM 944 CG ARG A 62 -5.249 10.996 6.807 1.00 0.00 C ATOM 945 CD ARG A 62 -6.076 12.148 7.384 1.00 0.00 C ATOM 946 NE ARG A 62 -5.209 12.995 8.255 1.00 0.00 N ATOM 947 CZ ARG A 62 -5.733 13.700 9.224 1.00 0.00 C ATOM 948 NH1 ARG A 62 -7.020 13.667 9.437 1.00 0.00 N ATOM 949 NH2 ARG A 62 -4.969 14.438 9.979 1.00 0.00 N ATOM 0 H ARG A 62 -5.936 12.116 4.542 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.553 9.611 4.540 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.157 10.478 5.881 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.196 9.086 6.336 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.817 10.408 7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.418 11.392 6.223 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.496 12.748 6.577 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.915 11.755 7.959 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.202 13.024 8.094 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.620 13.090 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.426 14.218 10.193 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.963 14.466 9.814 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.377 14.988 10.735 1.00 0.00 H new ATOM 963 N HIS A 63 -7.397 9.708 2.940 1.00 0.00 N ATOM 964 CA HIS A 63 -8.258 8.916 2.014 1.00 0.00 C ATOM 965 C HIS A 63 -7.376 8.384 0.893 1.00 0.00 C ATOM 966 O HIS A 63 -7.538 7.278 0.454 1.00 0.00 O ATOM 967 CB HIS A 63 -9.367 9.826 1.451 1.00 0.00 C ATOM 968 CG HIS A 63 -10.558 9.002 1.042 1.00 0.00 C ATOM 969 ND1 HIS A 63 -10.872 7.812 1.671 1.00 0.00 N ATOM 970 CD2 HIS A 63 -11.521 9.186 0.083 1.00 0.00 C ATOM 971 CE1 HIS A 63 -11.977 7.327 1.094 1.00 0.00 C ATOM 972 NE2 HIS A 63 -12.420 8.123 0.117 1.00 0.00 N ATOM 0 H HIS A 63 -7.636 10.697 3.011 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.730 8.082 2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.663 10.558 2.202 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.990 10.384 0.594 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -11.574 10.026 -0.594 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -12.454 6.402 1.383 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -13.239 7.983 -0.475 1.00 0.00 H new ATOM 980 N GLY A 64 -6.415 9.139 0.450 1.00 0.00 N ATOM 981 CA GLY A 64 -5.532 8.613 -0.625 1.00 0.00 C ATOM 982 C GLY A 64 -4.785 7.407 -0.066 1.00 0.00 C ATOM 983 O GLY A 64 -4.442 6.486 -0.779 1.00 0.00 O ATOM 0 H GLY A 64 -6.203 10.082 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.120 8.327 -1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.829 9.380 -0.952 1.00 0.00 H new ATOM 987 N PHE A 65 -4.567 7.389 1.222 1.00 0.00 N ATOM 988 CA PHE A 65 -3.883 6.221 1.844 1.00 0.00 C ATOM 989 C PHE A 65 -4.931 5.125 2.062 1.00 0.00 C ATOM 990 O PHE A 65 -4.689 3.960 1.826 1.00 0.00 O ATOM 991 CB PHE A 65 -3.269 6.632 3.193 1.00 0.00 C ATOM 992 CG PHE A 65 -1.916 7.269 2.968 1.00 0.00 C ATOM 993 CD1 PHE A 65 -0.788 6.463 2.761 1.00 0.00 C ATOM 994 CD2 PHE A 65 -1.787 8.663 2.963 1.00 0.00 C ATOM 995 CE1 PHE A 65 0.465 7.050 2.546 1.00 0.00 C ATOM 996 CE2 PHE A 65 -0.534 9.249 2.746 1.00 0.00 C ATOM 997 CZ PHE A 65 0.592 8.444 2.539 1.00 0.00 C ATOM 0 H PHE A 65 -4.833 8.132 1.868 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.083 5.860 1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.930 7.331 3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.167 5.759 3.838 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.885 5.387 2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.654 9.286 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 65 1.333 6.428 2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.436 10.325 2.738 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.558 8.898 2.374 1.00 0.00 H new ATOM 1007 N ASP A 66 -6.105 5.503 2.496 1.00 0.00 N ATOM 1008 CA ASP A 66 -7.180 4.497 2.716 1.00 0.00 C ATOM 1009 C ASP A 66 -7.702 4.032 1.356 1.00 0.00 C ATOM 1010 O ASP A 66 -7.870 2.855 1.108 1.00 0.00 O ATOM 1011 CB ASP A 66 -8.324 5.126 3.515 1.00 0.00 C ATOM 1012 CG ASP A 66 -9.242 4.022 4.044 1.00 0.00 C ATOM 1013 OD1 ASP A 66 -9.881 3.373 3.233 1.00 0.00 O ATOM 1014 OD2 ASP A 66 -9.289 3.845 5.250 1.00 0.00 O ATOM 0 H ASP A 66 -6.364 6.467 2.707 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.783 3.649 3.274 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.925 5.710 4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.889 5.812 2.884 1.00 0.00 H new ATOM 1019 N ILE A 67 -7.952 4.956 0.470 1.00 0.00 N ATOM 1020 CA ILE A 67 -8.454 4.578 -0.878 1.00 0.00 C ATOM 1021 C ILE A 67 -7.456 3.606 -1.517 1.00 0.00 C ATOM 1022 O ILE A 67 -7.825 2.559 -2.022 1.00 0.00 O ATOM 1023 CB ILE A 67 -8.594 5.840 -1.753 1.00 0.00 C ATOM 1024 CG1 ILE A 67 -9.813 6.669 -1.284 1.00 0.00 C ATOM 1025 CG2 ILE A 67 -8.758 5.452 -3.227 1.00 0.00 C ATOM 1026 CD1 ILE A 67 -11.129 5.880 -1.432 1.00 0.00 C ATOM 0 H ILE A 67 -7.830 5.957 0.623 1.00 0.00 H new ATOM 0 HA ILE A 67 -9.431 4.101 -0.793 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.691 6.442 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.677 6.958 -0.242 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.873 7.589 -1.865 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.856 6.354 -3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.884 4.888 -3.554 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.651 4.838 -3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.962 6.495 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.278 5.613 -2.478 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -11.079 4.973 -0.830 1.00 0.00 H new ATOM 1038 N LEU A 68 -6.192 3.935 -1.491 1.00 0.00 N ATOM 1039 CA LEU A 68 -5.187 3.015 -2.088 1.00 0.00 C ATOM 1040 C LEU A 68 -5.308 1.670 -1.381 1.00 0.00 C ATOM 1041 O LEU A 68 -5.334 0.625 -2.000 1.00 0.00 O ATOM 1042 CB LEU A 68 -3.774 3.602 -1.901 1.00 0.00 C ATOM 1043 CG LEU A 68 -2.680 2.618 -2.383 1.00 0.00 C ATOM 1044 CD1 LEU A 68 -2.470 1.458 -1.378 1.00 0.00 C ATOM 1045 CD2 LEU A 68 -3.053 2.055 -3.763 1.00 0.00 C ATOM 0 H LEU A 68 -5.817 4.793 -1.086 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.362 2.888 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.692 4.538 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.614 3.838 -0.849 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.743 3.170 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.695 0.789 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.166 1.863 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.402 0.904 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.279 1.364 -4.095 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.005 1.528 -3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.140 2.873 -4.478 1.00 0.00 H new ATOM 1057 N VAL A 69 -5.405 1.693 -0.081 1.00 0.00 N ATOM 1058 CA VAL A 69 -5.547 0.439 0.679 1.00 0.00 C ATOM 1059 C VAL A 69 -6.835 -0.244 0.224 1.00 0.00 C ATOM 1060 O VAL A 69 -7.093 -1.388 0.540 1.00 0.00 O ATOM 1061 CB VAL A 69 -5.623 0.781 2.170 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -6.145 -0.411 2.964 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -4.226 1.152 2.674 1.00 0.00 C ATOM 0 H VAL A 69 -5.391 2.541 0.486 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.701 -0.227 0.509 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.305 1.620 2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.193 -0.151 4.021 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.141 -0.676 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.475 -1.260 2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.275 1.396 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.550 0.309 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.856 2.015 2.120 1.00 0.00 H new ATOM 1073 N GLY A 70 -7.648 0.461 -0.519 1.00 0.00 N ATOM 1074 CA GLY A 70 -8.925 -0.133 -0.996 1.00 0.00 C ATOM 1075 C GLY A 70 -8.637 -1.095 -2.145 1.00 0.00 C ATOM 1076 O GLY A 70 -9.185 -2.177 -2.204 1.00 0.00 O ATOM 0 H GLY A 70 -7.480 1.423 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.421 -0.660 -0.181 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.604 0.653 -1.326 1.00 0.00 H new ATOM 1080 N GLN A 71 -7.767 -0.737 -3.051 1.00 0.00 N ATOM 1081 CA GLN A 71 -7.461 -1.686 -4.156 1.00 0.00 C ATOM 1082 C GLN A 71 -6.738 -2.874 -3.531 1.00 0.00 C ATOM 1083 O GLN A 71 -6.872 -4.001 -3.967 1.00 0.00 O ATOM 1084 CB GLN A 71 -6.623 -0.986 -5.249 1.00 0.00 C ATOM 1085 CG GLN A 71 -5.121 -1.021 -4.925 1.00 0.00 C ATOM 1086 CD GLN A 71 -4.521 -2.359 -5.365 1.00 0.00 C ATOM 1087 OE1 GLN A 71 -3.319 -2.513 -5.393 1.00 0.00 O ATOM 1088 NE2 GLN A 71 -5.312 -3.334 -5.720 1.00 0.00 N ATOM 0 H GLN A 71 -7.266 0.151 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.367 -2.034 -4.653 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.799 -1.471 -6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.949 0.049 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.612 -0.201 -5.432 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.968 -0.879 -3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.323 -3.204 -5.696 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -4.919 -4.226 -6.021 1.00 0.00 H new ATOM 1097 N ILE A 72 -6.027 -2.631 -2.467 1.00 0.00 N ATOM 1098 CA ILE A 72 -5.352 -3.738 -1.750 1.00 0.00 C ATOM 1099 C ILE A 72 -6.425 -4.487 -0.957 1.00 0.00 C ATOM 1100 O ILE A 72 -6.354 -5.684 -0.761 1.00 0.00 O ATOM 1101 CB ILE A 72 -4.302 -3.157 -0.793 1.00 0.00 C ATOM 1102 CG1 ILE A 72 -3.079 -2.702 -1.605 1.00 0.00 C ATOM 1103 CG2 ILE A 72 -3.877 -4.220 0.235 1.00 0.00 C ATOM 1104 CD1 ILE A 72 -2.092 -1.933 -0.709 1.00 0.00 C ATOM 0 H ILE A 72 -5.886 -1.705 -2.063 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.852 -4.411 -2.446 1.00 0.00 H new ATOM 0 HB ILE A 72 -4.729 -2.307 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.583 -3.568 -2.042 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.399 -2.067 -2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.132 -3.797 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.747 -4.539 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.451 -5.078 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.232 -1.619 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.586 -1.055 -0.293 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.757 -2.580 0.102 1.00 0.00 H new ATOM 1116 N ASP A 73 -7.423 -3.773 -0.493 1.00 0.00 N ATOM 1117 CA ASP A 73 -8.507 -4.420 0.298 1.00 0.00 C ATOM 1118 C ASP A 73 -9.179 -5.503 -0.550 1.00 0.00 C ATOM 1119 O ASP A 73 -9.279 -6.652 -0.156 1.00 0.00 O ATOM 1120 CB ASP A 73 -9.543 -3.369 0.708 1.00 0.00 C ATOM 1121 CG ASP A 73 -10.580 -4.007 1.634 1.00 0.00 C ATOM 1122 OD1 ASP A 73 -10.549 -5.217 1.782 1.00 0.00 O ATOM 1123 OD2 ASP A 73 -11.390 -3.274 2.179 1.00 0.00 O ATOM 0 H ASP A 73 -7.530 -2.768 -0.631 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.082 -4.873 1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.052 -2.537 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.032 -2.961 -0.177 1.00 0.00 H new ATOM 1128 N ASP A 74 -9.640 -5.144 -1.717 1.00 0.00 N ATOM 1129 CA ASP A 74 -10.309 -6.142 -2.597 1.00 0.00 C ATOM 1130 C ASP A 74 -9.301 -7.217 -2.998 1.00 0.00 C ATOM 1131 O ASP A 74 -9.656 -8.348 -3.239 1.00 0.00 O ATOM 1132 CB ASP A 74 -10.838 -5.441 -3.849 1.00 0.00 C ATOM 1133 CG ASP A 74 -11.458 -6.476 -4.788 1.00 0.00 C ATOM 1134 OD1 ASP A 74 -12.112 -7.378 -4.294 1.00 0.00 O ATOM 1135 OD2 ASP A 74 -11.268 -6.346 -5.986 1.00 0.00 O ATOM 0 H ASP A 74 -9.582 -4.200 -2.099 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.140 -6.604 -2.063 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.581 -4.693 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.028 -4.915 -4.354 1.00 0.00 H new ATOM 1140 N ALA A 75 -8.045 -6.884 -3.066 1.00 0.00 N ATOM 1141 CA ALA A 75 -7.044 -7.914 -3.438 1.00 0.00 C ATOM 1142 C ALA A 75 -6.876 -8.867 -2.261 1.00 0.00 C ATOM 1143 O ALA A 75 -6.661 -10.049 -2.436 1.00 0.00 O ATOM 1144 CB ALA A 75 -5.707 -7.250 -3.777 1.00 0.00 C ATOM 0 H ALA A 75 -7.672 -5.953 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.382 -8.464 -4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.979 -8.015 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.843 -6.565 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.345 -6.697 -2.910 1.00 0.00 H new ATOM 1150 N LEU A 76 -7.004 -8.373 -1.056 1.00 0.00 N ATOM 1151 CA LEU A 76 -6.886 -9.263 0.117 1.00 0.00 C ATOM 1152 C LEU A 76 -7.914 -10.380 -0.077 1.00 0.00 C ATOM 1153 O LEU A 76 -7.709 -11.516 0.300 1.00 0.00 O ATOM 1154 CB LEU A 76 -7.200 -8.430 1.386 1.00 0.00 C ATOM 1155 CG LEU A 76 -6.244 -8.786 2.574 1.00 0.00 C ATOM 1156 CD1 LEU A 76 -5.595 -7.514 3.144 1.00 0.00 C ATOM 1157 CD2 LEU A 76 -7.034 -9.477 3.695 1.00 0.00 C ATOM 0 H LEU A 76 -7.185 -7.392 -0.843 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.889 -9.691 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.110 -7.369 1.154 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -8.233 -8.604 1.687 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.469 -9.453 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.934 -7.781 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.019 -7.018 2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.372 -6.840 3.505 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.361 -9.721 4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.817 -8.809 4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.485 -10.392 3.311 1.00 0.00 H new ATOM 1169 N LYS A 77 -9.014 -10.045 -0.694 1.00 0.00 N ATOM 1170 CA LYS A 77 -10.063 -11.041 -0.963 1.00 0.00 C ATOM 1171 C LYS A 77 -9.534 -12.067 -1.959 1.00 0.00 C ATOM 1172 O LYS A 77 -9.702 -13.260 -1.793 1.00 0.00 O ATOM 1173 CB LYS A 77 -11.262 -10.328 -1.585 1.00 0.00 C ATOM 1174 CG LYS A 77 -12.469 -11.267 -1.560 1.00 0.00 C ATOM 1175 CD LYS A 77 -13.171 -11.192 -0.183 1.00 0.00 C ATOM 1176 CE LYS A 77 -13.719 -12.570 0.210 1.00 0.00 C ATOM 1177 NZ LYS A 77 -14.620 -12.427 1.389 1.00 0.00 N ATOM 0 H LYS A 77 -9.224 -9.103 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 77 -10.353 -11.538 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.484 -9.415 -1.033 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -11.035 -10.034 -2.610 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -13.169 -10.993 -2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.148 -12.290 -1.759 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.467 -10.844 0.573 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -13.984 -10.467 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -14.263 -13.009 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.898 -13.246 0.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -14.992 -13.360 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.087 -12.025 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.410 -11.795 1.147 1.00 0.00 H new ATOM 1191 N LEU A 78 -8.897 -11.605 -2.998 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.360 -12.542 -4.012 1.00 0.00 C ATOM 1193 C LEU A 78 -7.396 -13.493 -3.305 1.00 0.00 C ATOM 1194 O LEU A 78 -7.278 -14.652 -3.650 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.644 -11.730 -5.113 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.609 -11.480 -6.281 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.852 -10.729 -5.777 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.902 -10.642 -7.358 1.00 0.00 C ATOM 0 H LEU A 78 -8.727 -10.617 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.153 -13.123 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.294 -10.780 -4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.765 -12.271 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.916 -12.435 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.534 -10.554 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.354 -11.326 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.551 -9.773 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.586 -10.464 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.593 -9.688 -6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.025 -11.179 -7.720 1.00 0.00 H new ATOM 1210 N ALA A 79 -6.740 -13.017 -2.288 1.00 0.00 N ATOM 1211 CA ALA A 79 -5.820 -13.892 -1.521 1.00 0.00 C ATOM 1212 C ALA A 79 -6.642 -14.993 -0.842 1.00 0.00 C ATOM 1213 O ALA A 79 -6.340 -16.165 -0.940 1.00 0.00 O ATOM 1214 CB ALA A 79 -5.105 -13.059 -0.451 1.00 0.00 C ATOM 0 H ALA A 79 -6.802 -12.055 -1.954 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.082 -14.336 -2.189 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.428 -13.698 0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.536 -12.262 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.842 -12.624 0.224 1.00 0.00 H new ATOM 1220 N ASN A 80 -7.676 -14.610 -0.135 1.00 0.00 N ATOM 1221 CA ASN A 80 -8.521 -15.609 0.578 1.00 0.00 C ATOM 1222 C ASN A 80 -9.398 -16.399 -0.408 1.00 0.00 C ATOM 1223 O ASN A 80 -9.996 -17.393 -0.044 1.00 0.00 O ATOM 1224 CB ASN A 80 -9.403 -14.886 1.616 1.00 0.00 C ATOM 1225 CG ASN A 80 -9.597 -15.794 2.828 1.00 0.00 C ATOM 1226 OD1 ASN A 80 -10.707 -16.149 3.177 1.00 0.00 O ATOM 1227 ND2 ASN A 80 -8.544 -16.184 3.490 1.00 0.00 N ATOM 0 H ASN A 80 -7.971 -13.640 -0.022 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.868 -16.319 1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.935 -13.949 1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.368 -14.633 1.178 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.649 -16.789 4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -7.615 -15.884 3.194 1.00 0.00 H new ATOM 1234 N GLU A 81 -9.494 -15.975 -1.645 1.00 0.00 N ATOM 1235 CA GLU A 81 -10.349 -16.725 -2.621 1.00 0.00 C ATOM 1236 C GLU A 81 -9.488 -17.731 -3.389 1.00 0.00 C ATOM 1237 O GLU A 81 -9.995 -18.595 -4.076 1.00 0.00 O ATOM 1238 CB GLU A 81 -10.985 -15.751 -3.611 1.00 0.00 C ATOM 1239 CG GLU A 81 -12.093 -14.961 -2.912 1.00 0.00 C ATOM 1240 CD GLU A 81 -13.283 -15.883 -2.637 1.00 0.00 C ATOM 1241 OE1 GLU A 81 -13.544 -16.746 -3.459 1.00 0.00 O ATOM 1242 OE2 GLU A 81 -13.912 -15.711 -1.605 1.00 0.00 O ATOM 0 H GLU A 81 -9.023 -15.151 -2.019 1.00 0.00 H new ATOM 0 HA GLU A 81 -11.133 -17.251 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -10.230 -15.069 -4.003 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -11.394 -16.296 -4.462 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.721 -14.542 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.405 -14.123 -3.535 1.00 0.00 H new ATOM 1249 N GLY A 82 -8.190 -17.638 -3.265 1.00 0.00 N ATOM 1250 CA GLY A 82 -7.291 -18.604 -3.973 1.00 0.00 C ATOM 1251 C GLY A 82 -6.783 -18.005 -5.288 1.00 0.00 C ATOM 1252 O GLY A 82 -6.203 -18.696 -6.102 1.00 0.00 O ATOM 0 H GLY A 82 -7.710 -16.934 -2.704 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.446 -18.859 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.830 -19.530 -4.173 1.00 0.00 H new ATOM 1256 N LYS A 83 -6.983 -16.727 -5.508 1.00 0.00 N ATOM 1257 CA LYS A 83 -6.492 -16.099 -6.780 1.00 0.00 C ATOM 1258 C LYS A 83 -5.115 -15.482 -6.527 1.00 0.00 C ATOM 1259 O LYS A 83 -4.974 -14.301 -6.282 1.00 0.00 O ATOM 1260 CB LYS A 83 -7.464 -15.020 -7.266 1.00 0.00 C ATOM 1261 CG LYS A 83 -8.911 -15.460 -7.047 1.00 0.00 C ATOM 1262 CD LYS A 83 -9.136 -16.851 -7.657 1.00 0.00 C ATOM 1263 CE LYS A 83 -10.628 -17.199 -7.628 1.00 0.00 C ATOM 1264 NZ LYS A 83 -10.891 -18.316 -8.581 1.00 0.00 N ATOM 0 H LYS A 83 -7.462 -16.094 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.423 -16.865 -7.552 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.277 -14.088 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.295 -14.821 -8.324 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.136 -15.481 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.591 -14.740 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -8.769 -16.871 -8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.569 -17.597 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.927 -17.487 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.222 -16.326 -7.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.903 -18.555 -8.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.620 -18.024 -9.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.334 -19.149 -8.302 1.00 0.00 H new ATOM 1278 N VAL A 84 -4.106 -16.296 -6.579 1.00 0.00 N ATOM 1279 CA VAL A 84 -2.714 -15.818 -6.341 1.00 0.00 C ATOM 1280 C VAL A 84 -2.203 -15.098 -7.585 1.00 0.00 C ATOM 1281 O VAL A 84 -1.726 -13.983 -7.510 1.00 0.00 O ATOM 1282 CB VAL A 84 -1.805 -17.016 -6.025 1.00 0.00 C ATOM 1283 CG1 VAL A 84 -0.397 -16.517 -5.681 1.00 0.00 C ATOM 1284 CG2 VAL A 84 -2.385 -17.795 -4.838 1.00 0.00 C ATOM 0 H VAL A 84 -4.184 -17.293 -6.780 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.706 -15.129 -5.497 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.749 -17.671 -6.894 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.246 -17.368 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.011 -15.967 -6.529 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.446 -15.861 -4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.742 -18.646 -4.612 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.442 -17.142 -3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.384 -18.152 -5.090 1.00 0.00 H new ATOM 1294 N LYS A 85 -2.306 -15.709 -8.730 1.00 0.00 N ATOM 1295 CA LYS A 85 -1.828 -15.030 -9.963 1.00 0.00 C ATOM 1296 C LYS A 85 -2.507 -13.664 -10.060 1.00 0.00 C ATOM 1297 O LYS A 85 -1.894 -12.678 -10.418 1.00 0.00 O ATOM 1298 CB LYS A 85 -2.177 -15.880 -11.190 1.00 0.00 C ATOM 1299 CG LYS A 85 -1.162 -17.030 -11.328 1.00 0.00 C ATOM 1300 CD LYS A 85 -1.740 -18.162 -12.210 1.00 0.00 C ATOM 1301 CE LYS A 85 -2.434 -19.219 -11.340 1.00 0.00 C ATOM 1302 NZ LYS A 85 -3.275 -18.548 -10.309 1.00 0.00 N ATOM 0 H LYS A 85 -2.697 -16.641 -8.865 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.746 -14.902 -9.925 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.186 -16.282 -11.092 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -2.166 -15.262 -12.088 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.237 -16.656 -11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.911 -17.422 -10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.450 -17.747 -12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.940 -18.626 -12.788 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.052 -19.867 -11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.690 -19.854 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.822 -19.263 -9.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -2.664 -18.029 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.927 -17.883 -10.772 1.00 0.00 H new ATOM 1316 N GLU A 86 -3.765 -13.593 -9.718 1.00 0.00 N ATOM 1317 CA GLU A 86 -4.468 -12.285 -9.762 1.00 0.00 C ATOM 1318 C GLU A 86 -3.911 -11.409 -8.652 1.00 0.00 C ATOM 1319 O GLU A 86 -3.690 -10.226 -8.828 1.00 0.00 O ATOM 1320 CB GLU A 86 -5.972 -12.474 -9.554 1.00 0.00 C ATOM 1321 CG GLU A 86 -6.531 -13.400 -10.644 1.00 0.00 C ATOM 1322 CD GLU A 86 -6.631 -12.633 -11.965 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -7.629 -11.960 -12.162 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -5.706 -12.728 -12.754 1.00 0.00 O ATOM 0 H GLU A 86 -4.332 -14.383 -9.411 1.00 0.00 H new ATOM 0 HA GLU A 86 -4.312 -11.820 -10.736 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.162 -12.899 -8.569 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.478 -11.509 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.884 -14.269 -10.764 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.513 -13.771 -10.352 1.00 0.00 H new ATOM 1331 N ALA A 87 -3.680 -11.984 -7.501 1.00 0.00 N ATOM 1332 CA ALA A 87 -3.137 -11.179 -6.376 1.00 0.00 C ATOM 1333 C ALA A 87 -1.716 -10.729 -6.722 1.00 0.00 C ATOM 1334 O ALA A 87 -1.383 -9.564 -6.646 1.00 0.00 O ATOM 1335 CB ALA A 87 -3.115 -12.026 -5.102 1.00 0.00 C ATOM 0 H ALA A 87 -3.844 -12.970 -7.295 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.767 -10.305 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.716 -11.434 -4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.128 -12.347 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.484 -12.901 -5.258 1.00 0.00 H new ATOM 1341 N GLN A 88 -0.884 -11.650 -7.114 1.00 0.00 N ATOM 1342 CA GLN A 88 0.511 -11.314 -7.485 1.00 0.00 C ATOM 1343 C GLN A 88 0.477 -10.320 -8.659 1.00 0.00 C ATOM 1344 O GLN A 88 1.157 -9.311 -8.659 1.00 0.00 O ATOM 1345 CB GLN A 88 1.233 -12.650 -7.822 1.00 0.00 C ATOM 1346 CG GLN A 88 1.700 -12.722 -9.280 1.00 0.00 C ATOM 1347 CD GLN A 88 2.568 -13.966 -9.472 1.00 0.00 C ATOM 1348 OE1 GLN A 88 3.682 -13.876 -9.948 1.00 0.00 O ATOM 1349 NE2 GLN A 88 2.102 -15.134 -9.122 1.00 0.00 N ATOM 0 H GLN A 88 -1.119 -12.639 -7.193 1.00 0.00 H new ATOM 0 HA GLN A 88 1.062 -10.829 -6.680 1.00 0.00 H new ATOM 0 HB2 GLN A 88 2.093 -12.769 -7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.559 -13.483 -7.620 1.00 0.00 H new ATOM 0 HG2 GLN A 88 0.840 -12.758 -9.948 1.00 0.00 H new ATOM 0 HG3 GLN A 88 2.266 -11.827 -9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.167 -15.211 -8.722 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.673 -15.970 -9.248 1.00 0.00 H new ATOM 1358 N ALA A 89 -0.322 -10.588 -9.649 1.00 0.00 N ATOM 1359 CA ALA A 89 -0.404 -9.650 -10.800 1.00 0.00 C ATOM 1360 C ALA A 89 -0.746 -8.261 -10.258 1.00 0.00 C ATOM 1361 O ALA A 89 -0.276 -7.251 -10.751 1.00 0.00 O ATOM 1362 CB ALA A 89 -1.499 -10.112 -11.762 1.00 0.00 C ATOM 0 H ALA A 89 -0.920 -11.412 -9.712 1.00 0.00 H new ATOM 0 HA ALA A 89 0.545 -9.623 -11.336 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -1.557 -9.423 -12.605 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.265 -11.112 -12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -2.457 -10.130 -11.242 1.00 0.00 H new ATOM 1368 N ALA A 90 -1.531 -8.200 -9.217 1.00 0.00 N ATOM 1369 CA ALA A 90 -1.860 -6.877 -8.626 1.00 0.00 C ATOM 1370 C ALA A 90 -0.565 -6.303 -8.053 1.00 0.00 C ATOM 1371 O ALA A 90 -0.362 -5.111 -8.000 1.00 0.00 O ATOM 1372 CB ALA A 90 -2.895 -7.055 -7.510 1.00 0.00 C ATOM 0 H ALA A 90 -1.955 -9.004 -8.755 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.278 -6.206 -9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.135 -6.083 -7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.800 -7.503 -7.921 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.487 -7.706 -6.736 1.00 0.00 H new ATOM 1378 N ALA A 91 0.327 -7.165 -7.650 1.00 0.00 N ATOM 1379 CA ALA A 91 1.630 -6.692 -7.100 1.00 0.00 C ATOM 1380 C ALA A 91 2.224 -5.691 -8.085 1.00 0.00 C ATOM 1381 O ALA A 91 2.631 -4.607 -7.720 1.00 0.00 O ATOM 1382 CB ALA A 91 2.586 -7.884 -6.938 1.00 0.00 C ATOM 0 H ALA A 91 0.210 -8.178 -7.678 1.00 0.00 H new ATOM 0 HA ALA A 91 1.482 -6.225 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 91 3.537 -7.535 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.148 -8.611 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.752 -8.352 -7.908 1.00 0.00 H new ATOM 1388 N GLU A 92 2.259 -6.039 -9.338 1.00 0.00 N ATOM 1389 CA GLU A 92 2.803 -5.100 -10.343 1.00 0.00 C ATOM 1390 C GLU A 92 1.879 -3.894 -10.459 1.00 0.00 C ATOM 1391 O GLU A 92 2.296 -2.820 -10.847 1.00 0.00 O ATOM 1392 CB GLU A 92 2.950 -5.808 -11.690 1.00 0.00 C ATOM 1393 CG GLU A 92 3.972 -6.960 -11.559 1.00 0.00 C ATOM 1394 CD GLU A 92 3.255 -8.265 -11.196 1.00 0.00 C ATOM 1395 OE1 GLU A 92 2.331 -8.211 -10.401 1.00 0.00 O ATOM 1396 OE2 GLU A 92 3.645 -9.295 -11.720 1.00 0.00 O ATOM 0 H GLU A 92 1.934 -6.933 -9.706 1.00 0.00 H new ATOM 0 HA GLU A 92 3.789 -4.756 -10.031 1.00 0.00 H new ATOM 0 HB2 GLU A 92 1.986 -6.199 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 92 3.280 -5.100 -12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.514 -7.083 -12.496 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.709 -6.717 -10.794 1.00 0.00 H new ATOM 1403 N GLN A 93 0.638 -4.032 -10.076 1.00 0.00 N ATOM 1404 CA GLN A 93 -0.256 -2.855 -10.122 1.00 0.00 C ATOM 1405 C GLN A 93 0.219 -1.941 -9.008 1.00 0.00 C ATOM 1406 O GLN A 93 0.209 -0.733 -9.122 1.00 0.00 O ATOM 1407 CB GLN A 93 -1.716 -3.284 -9.873 1.00 0.00 C ATOM 1408 CG GLN A 93 -2.709 -2.145 -10.231 1.00 0.00 C ATOM 1409 CD GLN A 93 -3.189 -1.412 -8.964 1.00 0.00 C ATOM 1410 OE1 GLN A 93 -4.366 -1.144 -8.819 1.00 0.00 O ATOM 1411 NE2 GLN A 93 -2.330 -1.076 -8.037 1.00 0.00 N ATOM 0 H GLN A 93 0.216 -4.897 -9.739 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.225 -2.361 -11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.944 -4.168 -10.468 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.842 -3.563 -8.827 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.227 -1.436 -10.905 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.566 -2.559 -10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.341 -1.298 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -2.649 -0.592 -7.198 1.00 0.00 H new ATOM 1420 N LEU A 94 0.661 -2.529 -7.924 1.00 0.00 N ATOM 1421 CA LEU A 94 1.166 -1.713 -6.798 1.00 0.00 C ATOM 1422 C LEU A 94 2.504 -1.088 -7.207 1.00 0.00 C ATOM 1423 O LEU A 94 2.768 0.059 -6.911 1.00 0.00 O ATOM 1424 CB LEU A 94 1.349 -2.579 -5.545 1.00 0.00 C ATOM 1425 CG LEU A 94 -0.010 -2.780 -4.824 1.00 0.00 C ATOM 1426 CD1 LEU A 94 -0.836 -3.845 -5.558 1.00 0.00 C ATOM 1427 CD2 LEU A 94 0.203 -3.216 -3.356 1.00 0.00 C ATOM 0 H LEU A 94 0.691 -3.538 -7.778 1.00 0.00 H new ATOM 0 HA LEU A 94 0.445 -0.929 -6.564 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.768 -3.547 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.060 -2.105 -4.868 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.544 -1.830 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.789 -3.982 -5.047 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.017 -3.522 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.290 -4.788 -5.565 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.765 -3.350 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.754 -4.156 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.770 -2.449 -2.827 1.00 0.00 H new ATOM 1439 N LYS A 95 3.355 -1.818 -7.900 1.00 0.00 N ATOM 1440 CA LYS A 95 4.659 -1.223 -8.337 1.00 0.00 C ATOM 1441 C LYS A 95 4.347 0.173 -8.909 1.00 0.00 C ATOM 1442 O LYS A 95 5.048 1.141 -8.674 1.00 0.00 O ATOM 1443 CB LYS A 95 5.289 -2.092 -9.456 1.00 0.00 C ATOM 1444 CG LYS A 95 6.131 -3.319 -8.960 1.00 0.00 C ATOM 1445 CD LYS A 95 5.925 -3.679 -7.467 1.00 0.00 C ATOM 1446 CE LYS A 95 7.023 -3.018 -6.608 1.00 0.00 C ATOM 1447 NZ LYS A 95 6.499 -2.771 -5.240 1.00 0.00 N ATOM 0 H LYS A 95 3.203 -2.788 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 95 5.355 -1.169 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.491 -2.458 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.929 -1.457 -10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.877 -4.187 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.188 -3.110 -9.128 1.00 0.00 H new ATOM 0 HD2 LYS A 95 4.942 -3.344 -7.136 1.00 0.00 H new ATOM 0 HD3 LYS A 95 5.953 -4.761 -7.338 1.00 0.00 H new ATOM 0 HE2 LYS A 95 7.901 -3.662 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.340 -2.079 -7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.221 -2.280 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.644 -2.182 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.265 -3.678 -4.789 1.00 0.00 H new ATOM 1461 N THR A 96 3.269 0.267 -9.644 1.00 0.00 N ATOM 1462 CA THR A 96 2.863 1.577 -10.227 1.00 0.00 C ATOM 1463 C THR A 96 2.317 2.494 -9.126 1.00 0.00 C ATOM 1464 O THR A 96 2.462 3.698 -9.195 1.00 0.00 O ATOM 1465 CB THR A 96 1.786 1.359 -11.293 1.00 0.00 C ATOM 1466 OG1 THR A 96 2.337 0.622 -12.377 1.00 0.00 O ATOM 1467 CG2 THR A 96 1.280 2.712 -11.801 1.00 0.00 C ATOM 0 H THR A 96 2.650 -0.513 -9.866 1.00 0.00 H new ATOM 0 HA THR A 96 3.734 2.046 -10.684 1.00 0.00 H new ATOM 0 HB THR A 96 0.955 0.804 -10.858 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.648 0.480 -13.060 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.514 2.552 -12.560 1.00 0.00 H new ATOM 0 HG22 THR A 96 0.857 3.277 -10.971 1.00 0.00 H new ATOM 0 HG23 THR A 96 2.109 3.271 -12.235 1.00 0.00 H new ATOM 1475 N THR A 97 1.699 1.951 -8.102 1.00 0.00 N ATOM 1476 CA THR A 97 1.177 2.841 -7.024 1.00 0.00 C ATOM 1477 C THR A 97 2.363 3.649 -6.505 1.00 0.00 C ATOM 1478 O THR A 97 2.282 4.840 -6.289 1.00 0.00 O ATOM 1479 CB THR A 97 0.567 2.009 -5.873 1.00 0.00 C ATOM 1480 OG1 THR A 97 -0.803 1.752 -6.149 1.00 0.00 O ATOM 1481 CG2 THR A 97 0.685 2.765 -4.542 1.00 0.00 C ATOM 0 H THR A 97 1.538 0.953 -7.970 1.00 0.00 H new ATOM 0 HA THR A 97 0.392 3.490 -7.412 1.00 0.00 H new ATOM 0 HB THR A 97 1.112 1.069 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 97 -1.022 0.833 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 97 0.251 2.165 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 97 1.736 2.955 -4.323 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.153 3.713 -4.614 1.00 0.00 H new ATOM 1489 N ILE A 98 3.469 2.990 -6.314 1.00 0.00 N ATOM 1490 CA ILE A 98 4.678 3.687 -5.819 1.00 0.00 C ATOM 1491 C ILE A 98 4.979 4.859 -6.748 1.00 0.00 C ATOM 1492 O ILE A 98 5.248 5.959 -6.310 1.00 0.00 O ATOM 1493 CB ILE A 98 5.849 2.714 -5.837 1.00 0.00 C ATOM 1494 CG1 ILE A 98 5.472 1.456 -5.051 1.00 0.00 C ATOM 1495 CG2 ILE A 98 7.081 3.365 -5.200 1.00 0.00 C ATOM 1496 CD1 ILE A 98 6.636 0.465 -5.078 1.00 0.00 C ATOM 0 H ILE A 98 3.585 1.991 -6.482 1.00 0.00 H new ATOM 0 HA ILE A 98 4.519 4.050 -4.804 1.00 0.00 H new ATOM 0 HB ILE A 98 6.081 2.449 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE A 98 5.228 1.718 -4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.582 0.999 -5.483 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.914 2.662 -5.217 1.00 0.00 H new ATOM 0 HG22 ILE A 98 7.350 4.260 -5.761 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.857 3.637 -4.169 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.365 -0.430 -4.518 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.859 0.193 -6.110 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.515 0.924 -4.626 1.00 0.00 H new ATOM 1508 N ARG A 99 4.943 4.633 -8.036 1.00 0.00 N ATOM 1509 CA ARG A 99 5.236 5.736 -8.982 1.00 0.00 C ATOM 1510 C ARG A 99 4.201 6.859 -8.825 1.00 0.00 C ATOM 1511 O ARG A 99 4.542 8.004 -8.603 1.00 0.00 O ATOM 1512 CB ARG A 99 5.208 5.211 -10.417 1.00 0.00 C ATOM 1513 CG ARG A 99 5.603 6.340 -11.378 1.00 0.00 C ATOM 1514 CD ARG A 99 6.100 5.754 -12.701 1.00 0.00 C ATOM 1515 NE ARG A 99 6.637 6.854 -13.541 1.00 0.00 N ATOM 1516 CZ ARG A 99 7.352 6.580 -14.597 1.00 0.00 C ATOM 1517 NH1 ARG A 99 7.597 5.339 -14.911 1.00 0.00 N ATOM 1518 NH2 ARG A 99 7.828 7.545 -15.334 1.00 0.00 N ATOM 0 H ARG A 99 4.724 3.735 -8.466 1.00 0.00 H new ATOM 0 HA ARG A 99 6.227 6.132 -8.761 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.895 4.371 -10.523 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.212 4.841 -10.662 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.747 6.991 -11.558 1.00 0.00 H new ATOM 0 HG3 ARG A 99 6.382 6.955 -10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 99 6.873 5.008 -12.516 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.286 5.247 -13.219 1.00 0.00 H new ATOM 0 HE ARG A 99 6.447 7.825 -13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.230 4.584 -14.331 1.00 0.00 H new ATOM 0 HH12 ARG A 99 8.156 5.123 -15.736 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.641 8.516 -15.085 1.00 0.00 H new ATOM 0 HH22 ARG A 99 8.387 7.328 -16.159 1.00 0.00 H new ATOM 1532 N ALA A 100 2.939 6.548 -8.938 1.00 0.00 N ATOM 1533 CA ALA A 100 1.904 7.613 -8.792 1.00 0.00 C ATOM 1534 C ALA A 100 2.004 8.204 -7.386 1.00 0.00 C ATOM 1535 O ALA A 100 1.696 9.360 -7.153 1.00 0.00 O ATOM 1536 CB ALA A 100 0.515 7.004 -8.999 1.00 0.00 C ATOM 0 H ALA A 100 2.581 5.611 -9.123 1.00 0.00 H new ATOM 0 HA ALA A 100 2.064 8.396 -9.534 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -0.242 7.781 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.453 6.571 -9.997 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.344 6.226 -8.255 1.00 0.00 H new ATOM 1542 N TYR A 101 2.458 7.422 -6.451 1.00 0.00 N ATOM 1543 CA TYR A 101 2.605 7.929 -5.069 1.00 0.00 C ATOM 1544 C TYR A 101 3.768 8.916 -5.063 1.00 0.00 C ATOM 1545 O TYR A 101 3.790 9.861 -4.304 1.00 0.00 O ATOM 1546 CB TYR A 101 2.898 6.744 -4.144 1.00 0.00 C ATOM 1547 CG TYR A 101 3.467 7.206 -2.825 1.00 0.00 C ATOM 1548 CD1 TYR A 101 4.818 7.547 -2.746 1.00 0.00 C ATOM 1549 CD2 TYR A 101 2.658 7.272 -1.685 1.00 0.00 C ATOM 1550 CE1 TYR A 101 5.364 7.958 -1.531 1.00 0.00 C ATOM 1551 CE2 TYR A 101 3.205 7.687 -0.466 1.00 0.00 C ATOM 1552 CZ TYR A 101 4.560 8.030 -0.387 1.00 0.00 C ATOM 1553 OH TYR A 101 5.104 8.437 0.816 1.00 0.00 O ATOM 0 H TYR A 101 2.734 6.450 -6.588 1.00 0.00 H new ATOM 0 HA TYR A 101 1.699 8.427 -4.723 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.981 6.181 -3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 101 3.601 6.067 -4.629 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.441 7.492 -3.627 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.614 7.003 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.410 8.222 -1.472 1.00 0.00 H new ATOM 0 HE2 TYR A 101 2.582 7.743 0.414 1.00 0.00 H new ATOM 0 HH TYR A 101 4.410 8.432 1.507 1.00 0.00 H new ATOM 1563 N ASN A 102 4.734 8.712 -5.915 1.00 0.00 N ATOM 1564 CA ASN A 102 5.877 9.659 -5.948 1.00 0.00 C ATOM 1565 C ASN A 102 5.359 11.032 -6.384 1.00 0.00 C ATOM 1566 O ASN A 102 5.844 12.053 -5.937 1.00 0.00 O ATOM 1567 CB ASN A 102 7.001 9.132 -6.873 1.00 0.00 C ATOM 1568 CG ASN A 102 7.716 10.271 -7.624 1.00 0.00 C ATOM 1569 OD1 ASN A 102 8.130 10.098 -8.753 1.00 0.00 O ATOM 1570 ND2 ASN A 102 7.880 11.432 -7.044 1.00 0.00 N ATOM 0 H ASN A 102 4.780 7.941 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 102 6.318 9.753 -4.956 1.00 0.00 H new ATOM 0 HB2 ASN A 102 7.728 8.578 -6.280 1.00 0.00 H new ATOM 0 HB3 ASN A 102 6.578 8.432 -7.594 1.00 0.00 H new ATOM 0 HD21 ASN A 102 8.354 12.187 -7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 102 7.534 11.582 -6.096 1.00 0.00 H new ATOM 1577 N GLN A 103 4.351 11.082 -7.213 1.00 0.00 N ATOM 1578 CA GLN A 103 3.816 12.398 -7.600 1.00 0.00 C ATOM 1579 C GLN A 103 3.271 12.999 -6.312 1.00 0.00 C ATOM 1580 O GLN A 103 3.212 14.198 -6.127 1.00 0.00 O ATOM 1581 CB GLN A 103 2.693 12.205 -8.633 1.00 0.00 C ATOM 1582 CG GLN A 103 1.814 13.459 -8.700 1.00 0.00 C ATOM 1583 CD GLN A 103 0.716 13.409 -7.626 1.00 0.00 C ATOM 1584 OE1 GLN A 103 -0.152 14.259 -7.597 1.00 0.00 O ATOM 1585 NE2 GLN A 103 0.714 12.449 -6.739 1.00 0.00 N ATOM 0 H GLN A 103 3.887 10.275 -7.629 1.00 0.00 H new ATOM 0 HA GLN A 103 4.567 13.045 -8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.122 12.000 -9.614 1.00 0.00 H new ATOM 0 HB3 GLN A 103 2.086 11.341 -8.364 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.428 14.348 -8.558 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.360 13.539 -9.688 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.441 11.734 -6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -0.014 12.415 -6.026 1.00 0.00 H new ATOM 1594 N LYS A 104 2.909 12.134 -5.408 1.00 0.00 N ATOM 1595 CA LYS A 104 2.399 12.576 -4.083 1.00 0.00 C ATOM 1596 C LYS A 104 3.601 12.852 -3.159 1.00 0.00 C ATOM 1597 O LYS A 104 3.543 13.710 -2.299 1.00 0.00 O ATOM 1598 CB LYS A 104 1.466 11.469 -3.514 1.00 0.00 C ATOM 1599 CG LYS A 104 1.941 10.953 -2.151 1.00 0.00 C ATOM 1600 CD LYS A 104 0.957 9.909 -1.630 1.00 0.00 C ATOM 1601 CE LYS A 104 -0.417 10.543 -1.344 1.00 0.00 C ATOM 1602 NZ LYS A 104 -1.276 10.427 -2.555 1.00 0.00 N ATOM 0 H LYS A 104 2.946 11.123 -5.534 1.00 0.00 H new ATOM 0 HA LYS A 104 1.819 13.495 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.454 11.863 -3.418 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.419 10.639 -4.218 1.00 0.00 H new ATOM 0 HG2 LYS A 104 2.936 10.517 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 104 2.019 11.779 -1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.848 9.109 -2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.349 9.456 -0.720 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.891 10.044 -0.499 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.296 11.591 -1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.552 11.377 -2.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.748 9.945 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -2.129 9.878 -2.324 1.00 0.00 H new ATOM 1616 N TYR A 105 4.685 12.121 -3.319 1.00 0.00 N ATOM 1617 CA TYR A 105 5.879 12.332 -2.440 1.00 0.00 C ATOM 1618 C TYR A 105 6.859 13.279 -3.141 1.00 0.00 C ATOM 1619 O TYR A 105 7.915 13.590 -2.626 1.00 0.00 O ATOM 1620 CB TYR A 105 6.493 10.939 -2.100 1.00 0.00 C ATOM 1621 CG TYR A 105 7.988 10.862 -2.367 1.00 0.00 C ATOM 1622 CD1 TYR A 105 8.473 11.057 -3.662 1.00 0.00 C ATOM 1623 CD2 TYR A 105 8.880 10.565 -1.326 1.00 0.00 C ATOM 1624 CE1 TYR A 105 9.846 10.960 -3.923 1.00 0.00 C ATOM 1625 CE2 TYR A 105 10.252 10.471 -1.584 1.00 0.00 C ATOM 1626 CZ TYR A 105 10.736 10.667 -2.883 1.00 0.00 C ATOM 1627 OH TYR A 105 12.090 10.570 -3.138 1.00 0.00 O ATOM 0 H TYR A 105 4.791 11.389 -4.021 1.00 0.00 H new ATOM 0 HA TYR A 105 5.610 12.807 -1.497 1.00 0.00 H new ATOM 0 HB2 TYR A 105 6.306 10.713 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.986 10.173 -2.686 1.00 0.00 H new ATOM 0 HD1 TYR A 105 7.787 11.283 -4.465 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.507 10.409 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.218 11.111 -4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 105 10.938 10.247 -0.781 1.00 0.00 H new ATOM 0 HH TYR A 105 12.565 10.362 -2.307 1.00 0.00 H new ATOM 1637 N GLY A 106 6.514 13.738 -4.312 1.00 0.00 N ATOM 1638 CA GLY A 106 7.425 14.665 -5.048 1.00 0.00 C ATOM 1639 C GLY A 106 6.615 15.518 -6.024 1.00 0.00 C ATOM 1640 O GLY A 106 7.037 15.640 -7.163 1.00 0.00 O ATOM 1641 OXT GLY A 106 5.589 16.038 -5.617 1.00 0.00 O ATOM 0 H GLY A 106 5.643 13.513 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.954 15.306 -4.343 1.00 0.00 H new ATOM 0 HA3 GLY A 106 8.180 14.095 -5.589 1.00 0.00 H new