USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1248 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 21 THR OG1 : rot -140:sc= -0.437 USER MOD Set 1.2: A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 103 GLN : amide:sc= -0.641 X(o=-1.6,f=-1.8) USER MOD Set 2.2: A 117 GLN : amide:sc= -0.925 X(o=-1.6,f=-1.8!) USER MOD Set 3.1: A 101 TYR OH : rot 180:sc= -3.1! USER MOD Set 3.2: A 163 THR OG1 : rot 69:sc= 1.17 USER MOD Set 4.1: A 80 ASN : amide:sc= -0.363 K(o=-0.88,f=-3.7!) USER MOD Set 4.2: A 83 THR OG1 : rot -150:sc= -0.518 USER MOD Set 5.1: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 87 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.463) USER MOD Set 6.1: A 44 THR OG1 : rot -59:sc= 0.541 USER MOD Set 6.2: A 48 SER OG : rot -136:sc= -0.756 USER MOD Set 6.3: A 164 THR OG1 : rot -2:sc=-0.00653 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.283 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.853 K(o=-0.85,f=-3.9!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -87:sc= 0.979 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0945 K(o=-0.094,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.6!) USER MOD Single : A 50 MET CE :methyl 180:sc=-0.00135 (180deg=-0.00135) USER MOD Single : A 62 ASN : amide:sc= -0.0811 X(o=-0.081,f=0) USER MOD Single : A 64 ASN : amide:sc= -0.612 X(o=-0.61,f=-0.28) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -125:sc= -1.88! (180deg=-6.02!) USER MOD Single : A 76 GLN : amide:sc= -0.27 K(o=-0.27,f=-3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot -78:sc= -1.04 USER MOD Single : A 98 TYR OH : rot 0:sc= -4.54! USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.269 USER MOD Single : A 109 SER OG : rot 180:sc= -0.998 USER MOD Single : A 112 GLN : amide:sc= -4.79 K(o=-4.8,f=-5.5!) USER MOD Single : A 118 MET CE :methyl 167:sc= 0 (180deg=-0.102) USER MOD Single : A 119 SER OG : rot 100:sc= 0.859 USER MOD Single : A 120 THR OG1 : rot -0:sc= -1.8! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN : amide:sc= -0.322 K(o=-0.32,f=-1.6!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ -173:sc= 0.935 (180deg=0.769) USER MOD Single : A 133 ASN : amide:sc= -0.0235 X(o=-0.023,f=-0.21) USER MOD Single : A 138 THR OG1 : rot 180:sc=-0.00917 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 161:sc= -0.0143 (180deg=-0.262) USER MOD Single : A 153 GLN : amide:sc= -0.329 K(o=-0.33,f=-1.7!) USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= -0.0465 K(o=-0.047,f=-0.97) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 MET CE :methyl -131:sc= -10.5! (180deg=-19.7!) USER MOD Single : A 165 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-2!) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ -156:sc= -1.2 (180deg=-2.19) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 177 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 178 SER OG : rot 180:sc= -2.09! USER MOD Single : A 184 GLN : amide:sc= -0.253 K(o=-0.25,f=-2.5!) USER MOD Single : A 185 MET CE :methyl -159:sc= -1.03 (180deg=-1.69) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 20.285 11.258 0.422 1.00 0.76 N ATOM 21 CA THR A 21 20.437 10.069 -0.465 1.00 0.76 C ATOM 22 C THR A 21 19.077 9.687 -1.055 1.00 0.59 C ATOM 23 O THR A 21 18.043 10.151 -0.615 1.00 0.44 O ATOM 24 CB THR A 21 20.995 8.891 0.340 1.00 0.75 C ATOM 25 OG1 THR A 21 20.816 7.689 -0.396 1.00 1.02 O ATOM 26 CG2 THR A 21 20.259 8.784 1.678 1.00 0.48 C ATOM 0 HA THR A 21 21.126 10.312 -1.274 1.00 0.76 H new ATOM 0 HB THR A 21 22.057 9.052 0.525 1.00 0.75 H new ATOM 0 HG1 THR A 21 20.551 6.969 0.213 1.00 1.02 H new ATOM 0 HG21 THR A 21 20.659 7.945 2.247 1.00 0.48 H new ATOM 0 HG22 THR A 21 20.397 9.705 2.244 1.00 0.48 H new ATOM 0 HG23 THR A 21 19.196 8.626 1.497 1.00 0.48 H new ATOM 34 N SER A 22 19.074 8.844 -2.053 1.00 0.65 N ATOM 35 CA SER A 22 17.787 8.427 -2.681 1.00 0.57 C ATOM 36 C SER A 22 16.833 7.907 -1.602 1.00 0.45 C ATOM 37 O SER A 22 15.628 7.996 -1.734 1.00 0.46 O ATOM 38 CB SER A 22 18.056 7.322 -3.702 1.00 0.75 C ATOM 39 OG SER A 22 18.330 7.908 -4.967 1.00 0.99 O ATOM 0 H SER A 22 19.910 8.425 -2.461 1.00 0.65 H new ATOM 0 HA SER A 22 17.333 9.282 -3.181 1.00 0.57 H new ATOM 0 HB2 SER A 22 18.900 6.712 -3.381 1.00 0.75 H new ATOM 0 HB3 SER A 22 17.193 6.660 -3.774 1.00 0.75 H new ATOM 0 HG SER A 22 18.505 7.202 -5.624 1.00 0.99 H new ATOM 45 N SER A 23 17.359 7.367 -0.538 1.00 0.35 N ATOM 46 CA SER A 23 16.476 6.846 0.543 1.00 0.28 C ATOM 47 C SER A 23 15.845 8.023 1.287 1.00 0.19 C ATOM 48 O SER A 23 14.656 8.046 1.533 1.00 0.30 O ATOM 49 CB SER A 23 17.301 5.989 1.512 1.00 0.29 C ATOM 50 OG SER A 23 17.793 6.799 2.574 1.00 1.72 O ATOM 0 H SER A 23 18.360 7.264 -0.370 1.00 0.35 H new ATOM 0 HA SER A 23 15.687 6.229 0.112 1.00 0.28 H new ATOM 0 HB2 SER A 23 16.686 5.183 1.912 1.00 0.29 H new ATOM 0 HB3 SER A 23 18.132 5.523 0.983 1.00 0.29 H new ATOM 0 HG SER A 23 18.318 6.247 3.191 1.00 1.72 H new ATOM 56 N GLU A 24 16.625 9.010 1.639 1.00 0.13 N ATOM 57 CA GLU A 24 16.053 10.186 2.353 1.00 0.25 C ATOM 58 C GLU A 24 14.927 10.774 1.503 1.00 0.30 C ATOM 59 O GLU A 24 13.994 11.366 2.009 1.00 0.53 O ATOM 60 CB GLU A 24 17.142 11.239 2.565 1.00 0.36 C ATOM 61 CG GLU A 24 17.150 11.672 4.032 1.00 0.35 C ATOM 62 CD GLU A 24 17.740 13.077 4.149 1.00 1.54 C ATOM 63 OE1 GLU A 24 17.086 14.010 3.714 1.00 2.03 O ATOM 64 OE2 GLU A 24 18.835 13.196 4.671 1.00 2.39 O ATOM 0 H GLU A 24 17.629 9.052 1.464 1.00 0.13 H new ATOM 0 HA GLU A 24 15.664 9.879 3.324 1.00 0.25 H new ATOM 0 HB2 GLU A 24 18.115 10.833 2.289 1.00 0.36 H new ATOM 0 HB3 GLU A 24 16.962 12.100 1.921 1.00 0.36 H new ATOM 0 HG2 GLU A 24 16.136 11.658 4.431 1.00 0.35 H new ATOM 0 HG3 GLU A 24 17.736 10.970 4.626 1.00 0.35 H new ATOM 71 N ARG A 25 15.008 10.606 0.211 1.00 0.13 N ATOM 72 CA ARG A 25 13.943 11.141 -0.679 1.00 0.17 C ATOM 73 C ARG A 25 12.760 10.171 -0.688 1.00 0.23 C ATOM 74 O ARG A 25 11.620 10.572 -0.808 1.00 0.33 O ATOM 75 CB ARG A 25 14.491 11.297 -2.100 1.00 0.16 C ATOM 76 CG ARG A 25 15.565 12.384 -2.115 1.00 0.77 C ATOM 77 CD ARG A 25 14.898 13.758 -2.040 1.00 1.51 C ATOM 78 NE ARG A 25 14.358 14.122 -3.380 1.00 1.47 N ATOM 79 CZ ARG A 25 14.590 15.306 -3.875 1.00 1.77 C ATOM 80 NH1 ARG A 25 14.054 16.359 -3.322 1.00 2.79 N ATOM 81 NH2 ARG A 25 15.358 15.438 -4.922 1.00 1.27 N ATOM 0 H ARG A 25 15.768 10.120 -0.266 1.00 0.13 H new ATOM 0 HA ARG A 25 13.615 12.114 -0.313 1.00 0.17 H new ATOM 0 HB2 ARG A 25 14.910 10.352 -2.445 1.00 0.16 H new ATOM 0 HB3 ARG A 25 13.685 11.558 -2.786 1.00 0.16 H new ATOM 0 HG2 ARG A 25 16.244 12.251 -1.273 1.00 0.77 H new ATOM 0 HG3 ARG A 25 16.163 12.307 -3.023 1.00 0.77 H new ATOM 0 HD2 ARG A 25 14.094 13.744 -1.304 1.00 1.51 H new ATOM 0 HD3 ARG A 25 15.619 14.507 -1.711 1.00 1.51 H new ATOM 0 HE ARG A 25 13.808 13.446 -3.910 1.00 1.47 H new ATOM 0 HH11 ARG A 25 13.454 16.256 -2.503 1.00 2.79 H new ATOM 0 HH12 ARG A 25 14.235 17.286 -3.708 1.00 2.79 H new ATOM 0 HH21 ARG A 25 15.777 14.615 -5.354 1.00 1.27 H new ATOM 0 HH22 ARG A 25 15.539 16.365 -5.308 1.00 1.27 H new ATOM 95 N ILE A 26 13.020 8.896 -0.558 1.00 0.23 N ATOM 96 CA ILE A 26 11.899 7.916 -0.556 1.00 0.34 C ATOM 97 C ILE A 26 11.154 8.004 0.785 1.00 0.21 C ATOM 98 O ILE A 26 10.028 7.564 0.905 1.00 0.36 O ATOM 99 CB ILE A 26 12.448 6.494 -0.809 1.00 0.52 C ATOM 100 CG1 ILE A 26 12.614 6.312 -2.328 1.00 0.92 C ATOM 101 CG2 ILE A 26 11.478 5.431 -0.260 1.00 0.58 C ATOM 102 CD1 ILE A 26 13.011 4.869 -2.664 1.00 0.22 C ATOM 0 H ILE A 26 13.952 8.496 -0.454 1.00 0.23 H new ATOM 0 HA ILE A 26 11.195 8.147 -1.355 1.00 0.34 H new ATOM 0 HB ILE A 26 13.404 6.372 -0.300 1.00 0.52 H new ATOM 0 HG12 ILE A 26 11.682 6.564 -2.833 1.00 0.92 H new ATOM 0 HG13 ILE A 26 13.374 6.999 -2.700 1.00 0.92 H new ATOM 0 HG21 ILE A 26 11.883 4.437 -0.448 1.00 0.58 H new ATOM 0 HG22 ILE A 26 11.351 5.574 0.813 1.00 0.58 H new ATOM 0 HG23 ILE A 26 10.512 5.529 -0.756 1.00 0.58 H new ATOM 0 HD11 ILE A 26 13.123 4.764 -3.743 1.00 0.22 H new ATOM 0 HD12 ILE A 26 13.956 4.629 -2.176 1.00 0.22 H new ATOM 0 HD13 ILE A 26 12.237 4.187 -2.311 1.00 0.22 H new ATOM 114 N ASP A 27 11.763 8.573 1.789 1.00 0.42 N ATOM 115 CA ASP A 27 11.074 8.690 3.104 1.00 0.42 C ATOM 116 C ASP A 27 9.933 9.702 2.978 1.00 0.29 C ATOM 117 O ASP A 27 8.798 9.426 3.321 1.00 0.29 O ATOM 118 CB ASP A 27 12.065 9.173 4.163 1.00 0.61 C ATOM 119 CG ASP A 27 11.368 9.229 5.524 1.00 0.46 C ATOM 120 OD1 ASP A 27 10.978 8.181 6.010 1.00 1.37 O ATOM 121 OD2 ASP A 27 11.235 10.319 6.054 1.00 1.42 O ATOM 0 H ASP A 27 12.706 8.961 1.755 1.00 0.42 H new ATOM 0 HA ASP A 27 10.679 7.718 3.399 1.00 0.42 H new ATOM 0 HB2 ASP A 27 12.922 8.501 4.208 1.00 0.61 H new ATOM 0 HB3 ASP A 27 12.447 10.159 3.897 1.00 0.61 H new ATOM 126 N LYS A 28 10.226 10.873 2.480 1.00 0.38 N ATOM 127 CA LYS A 28 9.167 11.904 2.324 1.00 0.48 C ATOM 128 C LYS A 28 8.241 11.495 1.172 1.00 0.35 C ATOM 129 O LYS A 28 7.074 11.832 1.153 1.00 0.43 O ATOM 130 CB LYS A 28 9.831 13.258 2.030 1.00 0.77 C ATOM 131 CG LYS A 28 8.790 14.270 1.542 1.00 1.54 C ATOM 132 CD LYS A 28 8.788 14.282 0.014 1.00 1.46 C ATOM 133 CE LYS A 28 8.476 15.693 -0.489 1.00 2.00 C ATOM 134 NZ LYS A 28 7.661 15.614 -1.736 1.00 3.01 N ATOM 0 H LYS A 28 11.156 11.158 2.174 1.00 0.38 H new ATOM 0 HA LYS A 28 8.578 11.990 3.237 1.00 0.48 H new ATOM 0 HB2 LYS A 28 10.319 13.634 2.930 1.00 0.77 H new ATOM 0 HB3 LYS A 28 10.607 13.133 1.275 1.00 0.77 H new ATOM 0 HG2 LYS A 28 7.802 14.005 1.918 1.00 1.54 H new ATOM 0 HG3 LYS A 28 9.021 15.263 1.926 1.00 1.54 H new ATOM 0 HD2 LYS A 28 9.758 13.957 -0.363 1.00 1.46 H new ATOM 0 HD3 LYS A 28 8.046 13.578 -0.364 1.00 1.46 H new ATOM 0 HE2 LYS A 28 7.935 16.251 0.276 1.00 2.00 H new ATOM 0 HE3 LYS A 28 9.403 16.234 -0.682 1.00 2.00 H new ATOM 0 HZ1 LYS A 28 7.451 16.575 -2.075 1.00 3.01 H new ATOM 0 HZ2 LYS A 28 8.192 15.098 -2.466 1.00 3.01 H new ATOM 0 HZ3 LYS A 28 6.771 15.114 -1.538 1.00 3.01 H new ATOM 148 N GLN A 29 8.750 10.769 0.214 1.00 0.29 N ATOM 149 CA GLN A 29 7.890 10.343 -0.924 1.00 0.19 C ATOM 150 C GLN A 29 6.768 9.445 -0.396 1.00 0.11 C ATOM 151 O GLN A 29 5.616 9.617 -0.741 1.00 0.15 O ATOM 152 CB GLN A 29 8.731 9.585 -1.955 1.00 0.29 C ATOM 153 CG GLN A 29 9.380 10.590 -2.911 1.00 0.74 C ATOM 154 CD GLN A 29 10.559 9.934 -3.635 1.00 1.87 C ATOM 155 OE1 GLN A 29 10.508 8.770 -3.978 1.00 2.73 O ATOM 156 NE2 GLN A 29 11.629 10.640 -3.886 1.00 2.59 N ATOM 0 H GLN A 29 9.719 10.454 0.171 1.00 0.29 H new ATOM 0 HA GLN A 29 7.456 11.220 -1.405 1.00 0.19 H new ATOM 0 HB2 GLN A 29 9.498 8.994 -1.453 1.00 0.29 H new ATOM 0 HB3 GLN A 29 8.105 8.888 -2.511 1.00 0.29 H new ATOM 0 HG2 GLN A 29 8.646 10.941 -3.637 1.00 0.74 H new ATOM 0 HG3 GLN A 29 9.723 11.463 -2.356 1.00 0.74 H new ATOM 0 HE21 GLN A 29 11.674 11.618 -3.599 1.00 2.59 H new ATOM 0 HE22 GLN A 29 12.420 10.214 -4.369 1.00 2.59 H new ATOM 165 N ILE A 30 7.083 8.501 0.457 1.00 0.10 N ATOM 166 CA ILE A 30 6.007 7.631 1.010 1.00 0.18 C ATOM 167 C ILE A 30 5.065 8.509 1.830 1.00 0.18 C ATOM 168 O ILE A 30 3.862 8.345 1.803 1.00 0.23 O ATOM 169 CB ILE A 30 6.590 6.552 1.923 1.00 0.21 C ATOM 170 CG1 ILE A 30 7.751 5.815 1.206 1.00 0.35 C ATOM 171 CG2 ILE A 30 5.475 5.586 2.324 1.00 0.40 C ATOM 172 CD1 ILE A 30 7.266 4.527 0.517 1.00 0.63 C ATOM 0 H ILE A 30 8.026 8.299 0.789 1.00 0.10 H new ATOM 0 HA ILE A 30 5.483 7.143 0.188 1.00 0.18 H new ATOM 0 HB ILE A 30 7.000 7.006 2.825 1.00 0.21 H new ATOM 0 HG12 ILE A 30 8.201 6.477 0.466 1.00 0.35 H new ATOM 0 HG13 ILE A 30 8.529 5.570 1.929 1.00 0.35 H new ATOM 0 HG21 ILE A 30 5.881 4.812 2.976 1.00 0.40 H new ATOM 0 HG22 ILE A 30 4.693 6.132 2.852 1.00 0.40 H new ATOM 0 HG23 ILE A 30 5.055 5.124 1.430 1.00 0.40 H new ATOM 0 HD11 ILE A 30 8.107 4.038 0.026 1.00 0.63 H new ATOM 0 HD12 ILE A 30 6.840 3.854 1.261 1.00 0.63 H new ATOM 0 HD13 ILE A 30 6.507 4.775 -0.225 1.00 0.63 H new ATOM 184 N ARG A 31 5.609 9.453 2.556 1.00 0.21 N ATOM 185 CA ARG A 31 4.745 10.356 3.367 1.00 0.28 C ATOM 186 C ARG A 31 3.727 11.015 2.437 1.00 0.20 C ATOM 187 O ARG A 31 2.622 11.338 2.827 1.00 0.22 O ATOM 188 CB ARG A 31 5.609 11.431 4.032 1.00 0.39 C ATOM 189 CG ARG A 31 5.113 11.673 5.457 1.00 1.05 C ATOM 190 CD ARG A 31 4.198 12.898 5.477 1.00 1.13 C ATOM 191 NE ARG A 31 3.669 13.101 6.854 1.00 1.96 N ATOM 192 CZ ARG A 31 2.489 13.631 7.026 1.00 2.97 C ATOM 193 NH1 ARG A 31 2.184 14.750 6.428 1.00 3.21 N ATOM 194 NH2 ARG A 31 1.613 13.042 7.793 1.00 4.17 N ATOM 0 H ARG A 31 6.611 9.635 2.621 1.00 0.21 H new ATOM 0 HA ARG A 31 4.230 9.788 4.141 1.00 0.28 H new ATOM 0 HB2 ARG A 31 6.652 11.116 4.047 1.00 0.39 H new ATOM 0 HB3 ARG A 31 5.563 12.356 3.458 1.00 0.39 H new ATOM 0 HG2 ARG A 31 4.574 10.798 5.820 1.00 1.05 H new ATOM 0 HG3 ARG A 31 5.959 11.827 6.127 1.00 1.05 H new ATOM 0 HD2 ARG A 31 4.748 13.781 5.154 1.00 1.13 H new ATOM 0 HD3 ARG A 31 3.374 12.761 4.776 1.00 1.13 H new ATOM 0 HE ARG A 31 4.228 12.826 7.662 1.00 1.96 H new ATOM 0 HH11 ARG A 31 2.868 15.210 5.827 1.00 3.21 H new ATOM 0 HH12 ARG A 31 1.262 15.165 6.562 1.00 3.21 H new ATOM 0 HH21 ARG A 31 1.850 12.166 8.259 1.00 4.17 H new ATOM 0 HH22 ARG A 31 0.691 13.457 7.927 1.00 4.17 H new ATOM 208 N TYR A 32 4.090 11.190 1.195 1.00 0.16 N ATOM 209 CA TYR A 32 3.150 11.797 0.220 1.00 0.19 C ATOM 210 C TYR A 32 2.104 10.746 -0.128 1.00 0.15 C ATOM 211 O TYR A 32 0.932 11.036 -0.283 1.00 0.18 O ATOM 212 CB TYR A 32 3.915 12.203 -1.042 1.00 0.26 C ATOM 213 CG TYR A 32 3.223 13.371 -1.703 1.00 0.08 C ATOM 214 CD1 TYR A 32 1.973 13.192 -2.306 1.00 0.98 C ATOM 215 CD2 TYR A 32 3.833 14.631 -1.717 1.00 0.97 C ATOM 216 CE1 TYR A 32 1.332 14.272 -2.922 1.00 1.14 C ATOM 217 CE2 TYR A 32 3.192 15.712 -2.332 1.00 0.82 C ATOM 218 CZ TYR A 32 1.942 15.534 -2.935 1.00 0.28 C ATOM 219 OH TYR A 32 1.309 16.600 -3.542 1.00 0.44 O ATOM 0 H TYR A 32 5.002 10.936 0.816 1.00 0.16 H new ATOM 0 HA TYR A 32 2.675 12.683 0.641 1.00 0.19 H new ATOM 0 HB2 TYR A 32 4.940 12.472 -0.787 1.00 0.26 H new ATOM 0 HB3 TYR A 32 3.969 11.362 -1.733 1.00 0.26 H new ATOM 0 HD1 TYR A 32 1.503 12.220 -2.296 1.00 0.98 H new ATOM 0 HD2 TYR A 32 4.798 14.769 -1.253 1.00 0.97 H new ATOM 0 HE1 TYR A 32 0.367 14.134 -3.387 1.00 1.14 H new ATOM 0 HE2 TYR A 32 3.662 16.684 -2.341 1.00 0.82 H new ATOM 0 HH TYR A 32 1.867 17.401 -3.460 1.00 0.44 H new ATOM 229 N ILE A 33 2.525 9.515 -0.236 1.00 0.13 N ATOM 230 CA ILE A 33 1.570 8.424 -0.554 1.00 0.19 C ATOM 231 C ILE A 33 0.434 8.446 0.466 1.00 0.20 C ATOM 232 O ILE A 33 -0.721 8.294 0.129 1.00 0.23 O ATOM 233 CB ILE A 33 2.287 7.076 -0.489 1.00 0.21 C ATOM 234 CG1 ILE A 33 3.454 7.070 -1.479 1.00 0.19 C ATOM 235 CG2 ILE A 33 1.305 5.961 -0.849 1.00 0.33 C ATOM 236 CD1 ILE A 33 4.170 5.719 -1.416 1.00 0.14 C ATOM 0 H ILE A 33 3.494 9.220 -0.117 1.00 0.13 H new ATOM 0 HA ILE A 33 1.170 8.568 -1.558 1.00 0.19 H new ATOM 0 HB ILE A 33 2.667 6.914 0.519 1.00 0.21 H new ATOM 0 HG12 ILE A 33 3.088 7.253 -2.489 1.00 0.19 H new ATOM 0 HG13 ILE A 33 4.150 7.874 -1.241 1.00 0.19 H new ATOM 0 HG21 ILE A 33 1.815 4.999 -0.803 1.00 0.33 H new ATOM 0 HG22 ILE A 33 0.474 5.966 -0.143 1.00 0.33 H new ATOM 0 HG23 ILE A 33 0.925 6.123 -1.858 1.00 0.33 H new ATOM 0 HD11 ILE A 33 5.001 5.715 -2.121 1.00 0.14 H new ATOM 0 HD12 ILE A 33 4.549 5.555 -0.407 1.00 0.14 H new ATOM 0 HD13 ILE A 33 3.471 4.924 -1.675 1.00 0.14 H new ATOM 248 N LEU A 34 0.762 8.639 1.712 1.00 0.18 N ATOM 249 CA LEU A 34 -0.289 8.674 2.766 1.00 0.19 C ATOM 250 C LEU A 34 -1.115 9.954 2.626 1.00 0.18 C ATOM 251 O LEU A 34 -2.306 9.960 2.865 1.00 0.17 O ATOM 252 CB LEU A 34 0.380 8.649 4.139 1.00 0.17 C ATOM 253 CG LEU A 34 0.553 7.202 4.601 1.00 0.40 C ATOM 254 CD1 LEU A 34 1.980 6.738 4.300 1.00 0.55 C ATOM 255 CD2 LEU A 34 0.300 7.115 6.108 1.00 0.42 C ATOM 0 H LEU A 34 1.716 8.774 2.047 1.00 0.18 H new ATOM 0 HA LEU A 34 -0.944 7.810 2.658 1.00 0.19 H new ATOM 0 HB2 LEU A 34 1.350 9.144 4.091 1.00 0.17 H new ATOM 0 HB3 LEU A 34 -0.224 9.201 4.859 1.00 0.17 H new ATOM 0 HG LEU A 34 -0.157 6.565 4.074 1.00 0.40 H new ATOM 0 HD11 LEU A 34 2.104 5.706 4.629 1.00 0.55 H new ATOM 0 HD12 LEU A 34 2.165 6.801 3.228 1.00 0.55 H new ATOM 0 HD13 LEU A 34 2.689 7.375 4.829 1.00 0.55 H new ATOM 0 HD21 LEU A 34 0.423 6.084 6.439 1.00 0.42 H new ATOM 0 HD22 LEU A 34 1.011 7.752 6.634 1.00 0.42 H new ATOM 0 HD23 LEU A 34 -0.715 7.447 6.326 1.00 0.42 H new ATOM 267 N ASP A 35 -0.501 11.042 2.233 1.00 0.26 N ATOM 268 CA ASP A 35 -1.270 12.310 2.074 1.00 0.25 C ATOM 269 C ASP A 35 -2.438 12.050 1.130 1.00 0.17 C ATOM 270 O ASP A 35 -3.517 12.587 1.290 1.00 0.09 O ATOM 271 CB ASP A 35 -0.361 13.394 1.488 1.00 0.32 C ATOM 272 CG ASP A 35 0.407 14.088 2.615 1.00 0.98 C ATOM 273 OD1 ASP A 35 0.458 13.533 3.701 1.00 1.76 O ATOM 274 OD2 ASP A 35 0.932 15.162 2.372 1.00 1.13 O ATOM 0 H ASP A 35 0.494 11.105 2.017 1.00 0.26 H new ATOM 0 HA ASP A 35 -1.641 12.648 3.042 1.00 0.25 H new ATOM 0 HB2 ASP A 35 0.337 12.952 0.778 1.00 0.32 H new ATOM 0 HB3 ASP A 35 -0.956 14.123 0.938 1.00 0.32 H new ATOM 279 N GLY A 36 -2.233 11.207 0.161 1.00 0.23 N ATOM 280 CA GLY A 36 -3.333 10.883 -0.782 1.00 0.22 C ATOM 281 C GLY A 36 -4.313 9.948 -0.073 1.00 0.12 C ATOM 282 O GLY A 36 -5.510 10.138 -0.111 1.00 0.09 O ATOM 0 H GLY A 36 -1.350 10.728 -0.019 1.00 0.23 H new ATOM 0 HA2 GLY A 36 -3.840 11.794 -1.101 1.00 0.22 H new ATOM 0 HA3 GLY A 36 -2.936 10.408 -1.679 1.00 0.22 H new ATOM 286 N ILE A 37 -3.802 8.935 0.573 1.00 0.16 N ATOM 287 CA ILE A 37 -4.680 7.966 1.292 1.00 0.15 C ATOM 288 C ILE A 37 -5.580 8.691 2.296 1.00 0.18 C ATOM 289 O ILE A 37 -6.606 8.176 2.693 1.00 0.26 O ATOM 290 CB ILE A 37 -3.818 6.951 2.040 1.00 0.29 C ATOM 291 CG1 ILE A 37 -2.911 6.221 1.042 1.00 0.36 C ATOM 292 CG2 ILE A 37 -4.729 5.944 2.750 1.00 0.31 C ATOM 293 CD1 ILE A 37 -3.756 5.364 0.099 1.00 0.21 C ATOM 0 H ILE A 37 -2.804 8.735 0.634 1.00 0.16 H new ATOM 0 HA ILE A 37 -5.305 7.459 0.557 1.00 0.15 H new ATOM 0 HB ILE A 37 -3.200 7.462 2.778 1.00 0.29 H new ATOM 0 HG12 ILE A 37 -2.331 6.944 0.468 1.00 0.36 H new ATOM 0 HG13 ILE A 37 -2.198 5.593 1.577 1.00 0.36 H new ATOM 0 HG21 ILE A 37 -4.119 5.217 3.286 1.00 0.31 H new ATOM 0 HG22 ILE A 37 -5.371 6.470 3.456 1.00 0.31 H new ATOM 0 HG23 ILE A 37 -5.345 5.428 2.013 1.00 0.31 H new ATOM 0 HD11 ILE A 37 -3.104 4.849 -0.607 1.00 0.21 H new ATOM 0 HD12 ILE A 37 -4.316 4.630 0.678 1.00 0.21 H new ATOM 0 HD13 ILE A 37 -4.451 6.002 -0.448 1.00 0.21 H new ATOM 305 N SER A 38 -5.227 9.878 2.705 1.00 0.17 N ATOM 306 CA SER A 38 -6.095 10.604 3.666 1.00 0.26 C ATOM 307 C SER A 38 -7.371 10.964 2.930 1.00 0.29 C ATOM 308 O SER A 38 -8.471 10.792 3.423 1.00 0.40 O ATOM 309 CB SER A 38 -5.394 11.876 4.143 1.00 0.26 C ATOM 310 OG SER A 38 -5.193 12.744 3.035 1.00 1.98 O ATOM 0 H SER A 38 -4.382 10.371 2.417 1.00 0.17 H new ATOM 0 HA SER A 38 -6.310 9.987 4.538 1.00 0.26 H new ATOM 0 HB2 SER A 38 -5.995 12.373 4.905 1.00 0.26 H new ATOM 0 HB3 SER A 38 -4.438 11.627 4.603 1.00 0.26 H new ATOM 0 HG SER A 38 -4.347 12.521 2.594 1.00 1.98 H new ATOM 316 N ALA A 39 -7.224 11.435 1.727 1.00 0.23 N ATOM 317 CA ALA A 39 -8.413 11.786 0.923 1.00 0.35 C ATOM 318 C ALA A 39 -8.993 10.510 0.302 1.00 0.29 C ATOM 319 O ALA A 39 -10.095 10.506 -0.208 1.00 0.34 O ATOM 320 CB ALA A 39 -8.017 12.766 -0.182 1.00 0.43 C ATOM 0 H ALA A 39 -6.327 11.591 1.268 1.00 0.23 H new ATOM 0 HA ALA A 39 -9.162 12.255 1.561 1.00 0.35 H new ATOM 0 HB1 ALA A 39 -8.896 13.023 -0.773 1.00 0.43 H new ATOM 0 HB2 ALA A 39 -7.603 13.670 0.265 1.00 0.43 H new ATOM 0 HB3 ALA A 39 -7.269 12.305 -0.826 1.00 0.43 H new ATOM 326 N LEU A 40 -8.263 9.422 0.342 1.00 0.20 N ATOM 327 CA LEU A 40 -8.787 8.160 -0.245 1.00 0.14 C ATOM 328 C LEU A 40 -9.377 7.273 0.850 1.00 0.18 C ATOM 329 O LEU A 40 -9.974 6.256 0.568 1.00 0.13 O ATOM 330 CB LEU A 40 -7.663 7.396 -0.947 1.00 0.10 C ATOM 331 CG LEU A 40 -6.955 8.316 -1.937 1.00 0.20 C ATOM 332 CD1 LEU A 40 -5.544 7.796 -2.200 1.00 0.50 C ATOM 333 CD2 LEU A 40 -7.731 8.338 -3.251 1.00 0.14 C ATOM 0 H LEU A 40 -7.332 9.358 0.755 1.00 0.20 H new ATOM 0 HA LEU A 40 -9.562 8.416 -0.967 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -6.951 7.021 -0.212 1.00 0.10 H new ATOM 0 HB3 LEU A 40 -8.070 6.529 -1.468 1.00 0.10 H new ATOM 0 HG LEU A 40 -6.903 9.322 -1.521 1.00 0.20 H new ATOM 0 HD11 LEU A 40 -5.040 8.454 -2.907 1.00 0.50 H new ATOM 0 HD12 LEU A 40 -4.985 7.772 -1.265 1.00 0.50 H new ATOM 0 HD13 LEU A 40 -5.599 6.790 -2.616 1.00 0.50 H new ATOM 0 HD21 LEU A 40 -7.227 8.995 -3.960 1.00 0.14 H new ATOM 0 HD22 LEU A 40 -7.780 7.330 -3.662 1.00 0.14 H new ATOM 0 HD23 LEU A 40 -8.741 8.705 -3.071 1.00 0.14 H new ATOM 345 N ARG A 41 -9.218 7.633 2.095 1.00 0.31 N ATOM 346 CA ARG A 41 -9.778 6.781 3.177 1.00 0.42 C ATOM 347 C ARG A 41 -10.749 7.588 4.038 1.00 0.51 C ATOM 348 O ARG A 41 -11.419 7.044 4.886 1.00 0.59 O ATOM 349 CB ARG A 41 -8.648 6.248 4.054 1.00 0.44 C ATOM 350 CG ARG A 41 -9.229 5.286 5.093 1.00 0.47 C ATOM 351 CD ARG A 41 -8.093 4.598 5.858 1.00 0.55 C ATOM 352 NE ARG A 41 -7.030 5.592 6.189 1.00 2.01 N ATOM 353 CZ ARG A 41 -7.172 6.384 7.217 1.00 2.15 C ATOM 354 NH1 ARG A 41 -8.152 7.246 7.249 1.00 2.47 N ATOM 355 NH2 ARG A 41 -6.332 6.317 8.215 1.00 2.61 N ATOM 0 H ARG A 41 -8.729 8.473 2.406 1.00 0.31 H new ATOM 0 HA ARG A 41 -10.312 5.947 2.722 1.00 0.42 H new ATOM 0 HB2 ARG A 41 -7.906 5.736 3.441 1.00 0.44 H new ATOM 0 HB3 ARG A 41 -8.137 7.073 4.550 1.00 0.44 H new ATOM 0 HG2 ARG A 41 -9.870 5.830 5.787 1.00 0.47 H new ATOM 0 HG3 ARG A 41 -9.853 4.539 4.602 1.00 0.47 H new ATOM 0 HD2 ARG A 41 -8.479 4.147 6.772 1.00 0.55 H new ATOM 0 HD3 ARG A 41 -7.674 3.791 5.257 1.00 0.55 H new ATOM 0 HE ARG A 41 -6.192 5.653 5.611 1.00 2.01 H new ATOM 0 HH11 ARG A 41 -8.808 7.301 6.470 1.00 2.47 H new ATOM 0 HH12 ARG A 41 -8.262 7.864 8.053 1.00 2.47 H new ATOM 0 HH21 ARG A 41 -5.565 5.646 8.191 1.00 2.61 H new ATOM 0 HH22 ARG A 41 -6.444 6.936 9.018 1.00 2.61 H new ATOM 369 N LYS A 42 -10.842 8.872 3.835 1.00 0.57 N ATOM 370 CA LYS A 42 -11.785 9.674 4.654 1.00 0.69 C ATOM 371 C LYS A 42 -13.201 9.443 4.135 1.00 0.72 C ATOM 372 O LYS A 42 -14.154 9.359 4.890 1.00 0.77 O ATOM 373 CB LYS A 42 -11.430 11.157 4.529 1.00 0.72 C ATOM 374 CG LYS A 42 -11.883 11.899 5.788 1.00 0.98 C ATOM 375 CD LYS A 42 -10.715 12.714 6.350 1.00 1.89 C ATOM 376 CE LYS A 42 -9.892 11.841 7.299 1.00 3.38 C ATOM 377 NZ LYS A 42 -8.482 12.320 7.322 1.00 4.30 N ATOM 0 H LYS A 42 -10.309 9.396 3.141 1.00 0.57 H new ATOM 0 HA LYS A 42 -11.720 9.376 5.700 1.00 0.69 H new ATOM 0 HB2 LYS A 42 -10.355 11.274 4.392 1.00 0.72 H new ATOM 0 HB3 LYS A 42 -11.912 11.584 3.649 1.00 0.72 H new ATOM 0 HG2 LYS A 42 -12.720 12.557 5.554 1.00 0.98 H new ATOM 0 HG3 LYS A 42 -12.236 11.188 6.535 1.00 0.98 H new ATOM 0 HD2 LYS A 42 -10.087 13.077 5.537 1.00 1.89 H new ATOM 0 HD3 LYS A 42 -11.090 13.590 6.879 1.00 1.89 H new ATOM 0 HE2 LYS A 42 -10.316 11.878 8.303 1.00 3.38 H new ATOM 0 HE3 LYS A 42 -9.928 10.801 6.976 1.00 3.38 H new ATOM 0 HZ1 LYS A 42 -7.924 11.726 7.968 1.00 4.30 H new ATOM 0 HZ2 LYS A 42 -8.080 12.263 6.364 1.00 4.30 H new ATOM 0 HZ3 LYS A 42 -8.456 13.307 7.650 1.00 4.30 H new ATOM 391 N GLU A 43 -13.341 9.335 2.843 1.00 0.70 N ATOM 392 CA GLU A 43 -14.681 9.118 2.255 1.00 0.72 C ATOM 393 C GLU A 43 -15.038 7.637 2.314 1.00 0.72 C ATOM 394 O GLU A 43 -16.136 7.273 2.692 1.00 0.71 O ATOM 395 CB GLU A 43 -14.673 9.586 0.797 1.00 0.70 C ATOM 396 CG GLU A 43 -15.790 10.609 0.584 1.00 0.63 C ATOM 397 CD GLU A 43 -15.439 11.908 1.313 1.00 2.45 C ATOM 398 OE1 GLU A 43 -14.769 12.735 0.717 1.00 2.76 O ATOM 399 OE2 GLU A 43 -15.845 12.051 2.453 1.00 3.91 O ATOM 0 H GLU A 43 -12.577 9.389 2.170 1.00 0.70 H new ATOM 0 HA GLU A 43 -15.421 9.686 2.819 1.00 0.72 H new ATOM 0 HB2 GLU A 43 -13.708 10.029 0.551 1.00 0.70 H new ATOM 0 HB3 GLU A 43 -14.812 8.735 0.130 1.00 0.70 H new ATOM 0 HG2 GLU A 43 -15.923 10.802 -0.481 1.00 0.63 H new ATOM 0 HG3 GLU A 43 -16.735 10.214 0.957 1.00 0.63 H new ATOM 406 N THR A 44 -14.124 6.781 1.930 1.00 0.75 N ATOM 407 CA THR A 44 -14.424 5.323 1.951 1.00 0.75 C ATOM 408 C THR A 44 -14.099 4.730 3.323 1.00 0.79 C ATOM 409 O THR A 44 -13.393 3.750 3.443 1.00 0.93 O ATOM 410 CB THR A 44 -13.625 4.603 0.862 1.00 0.71 C ATOM 411 OG1 THR A 44 -13.952 3.220 0.877 1.00 0.85 O ATOM 412 CG2 THR A 44 -12.129 4.776 1.108 1.00 0.73 C ATOM 0 H THR A 44 -13.190 7.030 1.605 1.00 0.75 H new ATOM 0 HA THR A 44 -15.488 5.185 1.756 1.00 0.75 H new ATOM 0 HB THR A 44 -13.876 5.031 -0.109 1.00 0.71 H new ATOM 0 HG1 THR A 44 -13.741 2.844 1.757 1.00 0.85 H new ATOM 0 HG21 THR A 44 -11.570 4.260 0.328 1.00 0.73 H new ATOM 0 HG22 THR A 44 -11.878 5.837 1.093 1.00 0.73 H new ATOM 0 HG23 THR A 44 -11.869 4.355 2.079 1.00 0.73 H new ATOM 420 N CYS A 45 -14.637 5.315 4.353 1.00 0.73 N ATOM 421 CA CYS A 45 -14.413 4.807 5.731 1.00 0.76 C ATOM 422 C CYS A 45 -15.412 5.510 6.641 1.00 0.81 C ATOM 423 O CYS A 45 -16.074 4.894 7.453 1.00 0.84 O ATOM 424 CB CYS A 45 -12.988 5.127 6.188 1.00 0.72 C ATOM 425 SG CYS A 45 -12.705 4.492 7.864 1.00 1.19 S ATOM 0 H CYS A 45 -15.234 6.140 4.296 1.00 0.73 H new ATOM 0 HA CYS A 45 -14.546 3.726 5.765 1.00 0.76 H new ATOM 0 HB2 CYS A 45 -12.270 4.684 5.498 1.00 0.72 H new ATOM 0 HB3 CYS A 45 -12.826 6.205 6.168 1.00 0.72 H new ATOM 0 HG CYS A 45 -11.490 4.771 8.234 1.00 1.19 H new ATOM 430 N ASN A 46 -15.541 6.802 6.492 1.00 0.83 N ATOM 431 CA ASN A 46 -16.513 7.548 7.327 1.00 0.88 C ATOM 432 C ASN A 46 -17.860 7.599 6.601 1.00 0.44 C ATOM 433 O ASN A 46 -18.902 7.420 7.199 1.00 0.30 O ATOM 434 CB ASN A 46 -16.000 8.970 7.562 1.00 1.23 C ATOM 435 CG ASN A 46 -14.621 8.908 8.218 1.00 2.30 C ATOM 436 OD1 ASN A 46 -14.206 7.869 8.689 1.00 3.46 O ATOM 437 ND2 ASN A 46 -13.887 9.986 8.270 1.00 2.56 N ATOM 0 H ASN A 46 -15.013 7.368 5.827 1.00 0.83 H new ATOM 0 HA ASN A 46 -16.634 7.048 8.288 1.00 0.88 H new ATOM 0 HB2 ASN A 46 -15.941 9.509 6.616 1.00 1.23 H new ATOM 0 HB3 ASN A 46 -16.694 9.519 8.199 1.00 1.23 H new ATOM 0 HD21 ASN A 46 -12.965 9.955 8.706 1.00 2.56 H new ATOM 0 HD22 ASN A 46 -14.235 10.859 7.874 1.00 2.56 H new ATOM 444 N LYS A 47 -17.850 7.846 5.316 1.00 0.43 N ATOM 445 CA LYS A 47 -19.133 7.912 4.565 1.00 0.36 C ATOM 446 C LYS A 47 -19.482 6.543 3.976 1.00 0.28 C ATOM 447 O LYS A 47 -20.602 6.300 3.571 1.00 0.55 O ATOM 448 CB LYS A 47 -19.011 8.938 3.437 1.00 0.80 C ATOM 449 CG LYS A 47 -20.181 9.923 3.509 1.00 0.65 C ATOM 450 CD LYS A 47 -19.763 11.155 4.314 1.00 2.10 C ATOM 451 CE LYS A 47 -20.974 11.710 5.066 1.00 2.54 C ATOM 452 NZ LYS A 47 -20.854 13.192 5.176 1.00 3.56 N ATOM 0 H LYS A 47 -17.010 8.004 4.759 1.00 0.43 H new ATOM 0 HA LYS A 47 -19.926 8.210 5.251 1.00 0.36 H new ATOM 0 HB2 LYS A 47 -18.066 9.474 3.520 1.00 0.80 H new ATOM 0 HB3 LYS A 47 -19.007 8.433 2.471 1.00 0.80 H new ATOM 0 HG2 LYS A 47 -20.484 10.218 2.504 1.00 0.65 H new ATOM 0 HG3 LYS A 47 -21.043 9.446 3.975 1.00 0.65 H new ATOM 0 HD2 LYS A 47 -18.974 10.891 5.018 1.00 2.10 H new ATOM 0 HD3 LYS A 47 -19.355 11.916 3.649 1.00 2.10 H new ATOM 0 HE2 LYS A 47 -21.893 11.447 4.542 1.00 2.54 H new ATOM 0 HE3 LYS A 47 -21.034 11.265 6.059 1.00 2.54 H new ATOM 0 HZ1 LYS A 47 -21.677 13.570 5.687 1.00 3.56 H new ATOM 0 HZ2 LYS A 47 -19.985 13.432 5.694 1.00 3.56 H new ATOM 0 HZ3 LYS A 47 -20.816 13.609 4.224 1.00 3.56 H new ATOM 466 N SER A 48 -18.535 5.651 3.914 1.00 0.46 N ATOM 467 CA SER A 48 -18.816 4.303 3.337 1.00 0.70 C ATOM 468 C SER A 48 -19.456 3.395 4.391 1.00 0.67 C ATOM 469 O SER A 48 -19.642 2.216 4.171 1.00 1.13 O ATOM 470 CB SER A 48 -17.508 3.673 2.860 1.00 0.86 C ATOM 471 OG SER A 48 -17.322 3.966 1.481 1.00 1.85 O ATOM 0 H SER A 48 -17.578 5.794 4.237 1.00 0.46 H new ATOM 0 HA SER A 48 -19.504 4.415 2.499 1.00 0.70 H new ATOM 0 HB2 SER A 48 -16.671 4.059 3.442 1.00 0.86 H new ATOM 0 HB3 SER A 48 -17.533 2.594 3.015 1.00 0.86 H new ATOM 0 HG SER A 48 -17.024 3.158 1.012 1.00 1.85 H new ATOM 477 N ASN A 49 -19.783 3.918 5.545 1.00 0.61 N ATOM 478 CA ASN A 49 -20.406 3.072 6.606 1.00 0.70 C ATOM 479 C ASN A 49 -19.619 1.766 6.798 1.00 0.60 C ATOM 480 O ASN A 49 -20.123 0.811 7.354 1.00 0.72 O ATOM 481 CB ASN A 49 -21.844 2.740 6.205 1.00 0.96 C ATOM 482 CG ASN A 49 -22.814 3.505 7.106 1.00 1.40 C ATOM 483 OD1 ASN A 49 -22.525 3.749 8.261 1.00 1.89 O ATOM 484 ND2 ASN A 49 -23.960 3.897 6.622 1.00 1.74 N ATOM 0 H ASN A 49 -19.645 4.896 5.798 1.00 0.61 H new ATOM 0 HA ASN A 49 -20.394 3.626 7.545 1.00 0.70 H new ATOM 0 HB2 ASN A 49 -22.013 3.007 5.162 1.00 0.96 H new ATOM 0 HB3 ASN A 49 -22.019 1.668 6.292 1.00 0.96 H new ATOM 0 HD21 ASN A 49 -24.615 4.409 7.213 1.00 1.74 H new ATOM 0 HD22 ASN A 49 -24.201 3.692 5.652 1.00 1.74 H new ATOM 491 N MET A 50 -18.389 1.715 6.360 1.00 0.62 N ATOM 492 CA MET A 50 -17.590 0.472 6.540 1.00 0.49 C ATOM 493 C MET A 50 -16.880 0.542 7.890 1.00 1.06 C ATOM 494 O MET A 50 -16.712 -0.451 8.570 1.00 2.16 O ATOM 495 CB MET A 50 -16.556 0.353 5.419 1.00 1.44 C ATOM 496 CG MET A 50 -16.603 -1.059 4.832 1.00 1.81 C ATOM 497 SD MET A 50 -17.326 -1.005 3.173 1.00 2.52 S ATOM 498 CE MET A 50 -18.623 -2.236 3.451 1.00 1.11 C ATOM 0 H MET A 50 -17.906 2.479 5.887 1.00 0.62 H new ATOM 0 HA MET A 50 -18.245 -0.399 6.507 1.00 0.49 H new ATOM 0 HB2 MET A 50 -16.760 1.089 4.641 1.00 1.44 H new ATOM 0 HB3 MET A 50 -15.559 0.565 5.805 1.00 1.44 H new ATOM 0 HG2 MET A 50 -15.598 -1.479 4.788 1.00 1.81 H new ATOM 0 HG3 MET A 50 -17.193 -1.712 5.476 1.00 1.81 H new ATOM 0 HE1 MET A 50 -19.204 -2.364 2.538 1.00 1.11 H new ATOM 0 HE2 MET A 50 -18.169 -3.187 3.729 1.00 1.11 H new ATOM 0 HE3 MET A 50 -19.278 -1.899 4.254 1.00 1.11 H new ATOM 660 N ASN A 62 -10.200 -7.594 6.774 1.00 1.71 N ATOM 661 CA ASN A 62 -8.740 -7.884 6.626 1.00 1.55 C ATOM 662 C ASN A 62 -8.481 -8.562 5.278 1.00 1.34 C ATOM 663 O ASN A 62 -8.537 -9.769 5.157 1.00 1.24 O ATOM 664 CB ASN A 62 -8.256 -8.799 7.760 1.00 1.59 C ATOM 665 CG ASN A 62 -8.886 -8.356 9.082 1.00 1.70 C ATOM 666 OD1 ASN A 62 -9.363 -9.172 9.846 1.00 2.08 O ATOM 667 ND2 ASN A 62 -8.904 -7.088 9.389 1.00 2.33 N ATOM 0 HA ASN A 62 -8.192 -6.943 6.674 1.00 1.55 H new ATOM 0 HB2 ASN A 62 -8.525 -9.833 7.546 1.00 1.59 H new ATOM 0 HB3 ASN A 62 -7.169 -8.761 7.833 1.00 1.59 H new ATOM 0 HD21 ASN A 62 -9.318 -6.782 10.270 1.00 2.33 H new ATOM 0 HD22 ASN A 62 -8.504 -6.402 8.748 1.00 2.33 H new ATOM 674 N LEU A 63 -8.193 -7.790 4.264 1.00 1.45 N ATOM 675 CA LEU A 63 -7.921 -8.378 2.921 1.00 1.25 C ATOM 676 C LEU A 63 -6.772 -9.380 3.029 1.00 1.16 C ATOM 677 O LEU A 63 -6.349 -9.736 4.111 1.00 1.39 O ATOM 678 CB LEU A 63 -7.550 -7.255 1.953 1.00 1.03 C ATOM 679 CG LEU A 63 -8.828 -6.589 1.443 1.00 1.13 C ATOM 680 CD1 LEU A 63 -8.466 -5.413 0.535 1.00 0.78 C ATOM 681 CD2 LEU A 63 -9.655 -7.607 0.653 1.00 1.32 C ATOM 0 H LEU A 63 -8.134 -6.773 4.309 1.00 1.45 H new ATOM 0 HA LEU A 63 -8.807 -8.895 2.552 1.00 1.25 H new ATOM 0 HB2 LEU A 63 -6.918 -6.521 2.453 1.00 1.03 H new ATOM 0 HB3 LEU A 63 -6.975 -7.654 1.117 1.00 1.03 H new ATOM 0 HG LEU A 63 -9.410 -6.227 2.291 1.00 1.13 H new ATOM 0 HD11 LEU A 63 -9.378 -4.939 0.172 1.00 0.78 H new ATOM 0 HD12 LEU A 63 -7.879 -4.687 1.097 1.00 0.78 H new ATOM 0 HD13 LEU A 63 -7.883 -5.774 -0.312 1.00 0.78 H new ATOM 0 HD21 LEU A 63 -10.566 -7.132 0.289 1.00 1.32 H new ATOM 0 HD22 LEU A 63 -9.073 -7.970 -0.194 1.00 1.32 H new ATOM 0 HD23 LEU A 63 -9.916 -8.444 1.300 1.00 1.32 H new ATOM 693 N ASN A 64 -6.269 -9.849 1.921 1.00 0.93 N ATOM 694 CA ASN A 64 -5.158 -10.840 1.978 1.00 0.91 C ATOM 695 C ASN A 64 -3.878 -10.236 1.399 1.00 0.76 C ATOM 696 O ASN A 64 -3.359 -10.698 0.403 1.00 0.70 O ATOM 697 CB ASN A 64 -5.544 -12.083 1.174 1.00 1.04 C ATOM 698 CG ASN A 64 -4.468 -13.157 1.346 1.00 1.45 C ATOM 699 OD1 ASN A 64 -4.364 -13.767 2.392 1.00 2.15 O ATOM 700 ND2 ASN A 64 -3.656 -13.415 0.359 1.00 1.87 N ATOM 0 H ASN A 64 -6.577 -9.591 0.983 1.00 0.93 H new ATOM 0 HA ASN A 64 -4.980 -11.113 3.018 1.00 0.91 H new ATOM 0 HB2 ASN A 64 -6.509 -12.462 1.511 1.00 1.04 H new ATOM 0 HB3 ASN A 64 -5.653 -11.828 0.120 1.00 1.04 H new ATOM 0 HD21 ASN A 64 -2.935 -14.128 0.465 1.00 1.87 H new ATOM 0 HD22 ASN A 64 -3.742 -12.904 -0.519 1.00 1.87 H new ATOM 707 N LEU A 65 -3.354 -9.220 2.026 1.00 0.97 N ATOM 708 CA LEU A 65 -2.095 -8.607 1.520 1.00 0.93 C ATOM 709 C LEU A 65 -1.100 -8.421 2.681 1.00 0.95 C ATOM 710 O LEU A 65 -0.606 -7.331 2.886 1.00 0.92 O ATOM 711 CB LEU A 65 -2.408 -7.246 0.896 1.00 0.77 C ATOM 712 CG LEU A 65 -3.064 -6.342 1.940 1.00 0.64 C ATOM 713 CD1 LEU A 65 -2.680 -4.887 1.663 1.00 0.31 C ATOM 714 CD2 LEU A 65 -4.584 -6.491 1.859 1.00 0.82 C ATOM 0 H LEU A 65 -3.742 -8.789 2.865 1.00 0.97 H new ATOM 0 HA LEU A 65 -1.653 -9.262 0.770 1.00 0.93 H new ATOM 0 HB2 LEU A 65 -1.492 -6.785 0.525 1.00 0.77 H new ATOM 0 HB3 LEU A 65 -3.071 -7.371 0.040 1.00 0.77 H new ATOM 0 HG LEU A 65 -2.723 -6.627 2.935 1.00 0.64 H new ATOM 0 HD11 LEU A 65 -3.146 -4.240 2.406 1.00 0.31 H new ATOM 0 HD12 LEU A 65 -1.597 -4.780 1.717 1.00 0.31 H new ATOM 0 HD13 LEU A 65 -3.023 -4.603 0.668 1.00 0.31 H new ATOM 0 HD21 LEU A 65 -5.053 -5.847 2.603 1.00 0.82 H new ATOM 0 HD22 LEU A 65 -4.925 -6.204 0.864 1.00 0.82 H new ATOM 0 HD23 LEU A 65 -4.859 -7.528 2.052 1.00 0.82 H new ATOM 726 N PRO A 66 -0.822 -9.489 3.410 1.00 1.48 N ATOM 727 CA PRO A 66 0.122 -9.433 4.545 1.00 1.57 C ATOM 728 C PRO A 66 1.568 -9.421 4.040 1.00 1.24 C ATOM 729 O PRO A 66 1.932 -10.176 3.159 1.00 1.82 O ATOM 730 CB PRO A 66 -0.161 -10.723 5.319 1.00 2.52 C ATOM 731 CG PRO A 66 -0.807 -11.699 4.310 1.00 2.92 C ATOM 732 CD PRO A 66 -1.408 -10.834 3.187 1.00 2.23 C ATOM 0 HA PRO A 66 -0.001 -8.537 5.153 1.00 1.57 H new ATOM 0 HB2 PRO A 66 0.758 -11.140 5.730 1.00 2.52 H new ATOM 0 HB3 PRO A 66 -0.829 -10.534 6.160 1.00 2.52 H new ATOM 0 HG2 PRO A 66 -0.066 -12.392 3.911 1.00 2.92 H new ATOM 0 HG3 PRO A 66 -1.578 -12.300 4.791 1.00 2.92 H new ATOM 0 HD2 PRO A 66 -1.149 -11.223 2.202 1.00 2.23 H new ATOM 0 HD3 PRO A 66 -2.496 -10.809 3.243 1.00 2.23 H new ATOM 740 N LYS A 67 2.394 -8.577 4.595 1.00 0.81 N ATOM 741 CA LYS A 67 3.818 -8.523 4.155 1.00 1.35 C ATOM 742 C LYS A 67 4.646 -7.793 5.214 1.00 1.05 C ATOM 743 O LYS A 67 5.398 -6.887 4.916 1.00 1.28 O ATOM 744 CB LYS A 67 3.916 -7.779 2.820 1.00 1.91 C ATOM 745 CG LYS A 67 3.823 -8.782 1.668 1.00 2.49 C ATOM 746 CD LYS A 67 5.056 -8.652 0.771 1.00 3.87 C ATOM 747 CE LYS A 67 5.316 -9.984 0.065 1.00 4.62 C ATOM 748 NZ LYS A 67 4.304 -10.182 -1.011 1.00 4.96 N ATOM 0 H LYS A 67 2.144 -7.921 5.335 1.00 0.81 H new ATOM 0 HA LYS A 67 4.200 -9.536 4.029 1.00 1.35 H new ATOM 0 HB2 LYS A 67 3.115 -7.044 2.742 1.00 1.91 H new ATOM 0 HB3 LYS A 67 4.857 -7.232 2.765 1.00 1.91 H new ATOM 0 HG2 LYS A 67 3.752 -9.796 2.061 1.00 2.49 H new ATOM 0 HG3 LYS A 67 2.918 -8.601 1.088 1.00 2.49 H new ATOM 0 HD2 LYS A 67 4.902 -7.862 0.036 1.00 3.87 H new ATOM 0 HD3 LYS A 67 5.924 -8.368 1.366 1.00 3.87 H new ATOM 0 HE2 LYS A 67 6.320 -9.993 -0.359 1.00 4.62 H new ATOM 0 HE3 LYS A 67 5.265 -10.804 0.782 1.00 4.62 H new ATOM 0 HZ1 LYS A 67 4.480 -11.087 -1.491 1.00 4.96 H new ATOM 0 HZ2 LYS A 67 3.351 -10.191 -0.594 1.00 4.96 H new ATOM 0 HZ3 LYS A 67 4.373 -9.406 -1.700 1.00 4.96 H new ATOM 762 N MET A 68 4.514 -8.186 6.451 1.00 1.21 N ATOM 763 CA MET A 68 5.288 -7.521 7.538 1.00 0.87 C ATOM 764 C MET A 68 5.073 -8.279 8.850 1.00 1.06 C ATOM 765 O MET A 68 4.024 -8.845 9.085 1.00 1.20 O ATOM 766 CB MET A 68 4.802 -6.078 7.702 1.00 0.47 C ATOM 767 CG MET A 68 5.952 -5.112 7.413 1.00 0.36 C ATOM 768 SD MET A 68 5.567 -3.490 8.120 1.00 0.92 S ATOM 769 CE MET A 68 7.015 -2.615 7.477 1.00 0.37 C ATOM 0 H MET A 68 3.901 -8.942 6.757 1.00 1.21 H new ATOM 0 HA MET A 68 6.348 -7.522 7.283 1.00 0.87 H new ATOM 0 HB2 MET A 68 3.972 -5.884 7.023 1.00 0.47 H new ATOM 0 HB3 MET A 68 4.429 -5.922 8.714 1.00 0.47 H new ATOM 0 HG2 MET A 68 6.879 -5.496 7.838 1.00 0.36 H new ATOM 0 HG3 MET A 68 6.107 -5.025 6.338 1.00 0.36 H new ATOM 0 HE1 MET A 68 7.551 -2.144 8.301 1.00 0.37 H new ATOM 0 HE2 MET A 68 7.674 -3.323 6.973 1.00 0.37 H new ATOM 0 HE3 MET A 68 6.694 -1.851 6.769 1.00 0.37 H new ATOM 779 N ALA A 69 6.057 -8.297 9.707 1.00 1.08 N ATOM 780 CA ALA A 69 5.900 -9.020 11.001 1.00 1.26 C ATOM 781 C ALA A 69 7.211 -8.956 11.786 1.00 1.47 C ATOM 782 O ALA A 69 8.129 -8.249 11.421 1.00 1.67 O ATOM 783 CB ALA A 69 5.541 -10.481 10.726 1.00 1.30 C ATOM 0 H ALA A 69 6.960 -7.844 9.568 1.00 1.08 H new ATOM 0 HA ALA A 69 5.106 -8.553 11.584 1.00 1.26 H new ATOM 0 HB1 ALA A 69 5.426 -11.011 11.671 1.00 1.30 H new ATOM 0 HB2 ALA A 69 4.606 -10.527 10.168 1.00 1.30 H new ATOM 0 HB3 ALA A 69 6.335 -10.947 10.143 1.00 1.30 H new ATOM 789 N GLU A 70 7.306 -9.691 12.861 1.00 1.55 N ATOM 790 CA GLU A 70 8.562 -9.671 13.665 1.00 1.75 C ATOM 791 C GLU A 70 9.677 -10.353 12.878 1.00 1.71 C ATOM 792 O GLU A 70 10.846 -10.102 13.093 1.00 1.78 O ATOM 793 CB GLU A 70 8.340 -10.411 14.986 1.00 2.11 C ATOM 794 CG GLU A 70 7.975 -11.870 14.702 1.00 3.37 C ATOM 795 CD GLU A 70 6.920 -12.335 15.706 1.00 3.54 C ATOM 796 OE1 GLU A 70 7.286 -12.608 16.838 1.00 3.56 O ATOM 797 OE2 GLU A 70 5.763 -12.410 15.327 1.00 3.92 O ATOM 0 H GLU A 70 6.571 -10.302 13.216 1.00 1.55 H new ATOM 0 HA GLU A 70 8.842 -8.639 13.875 1.00 1.75 H new ATOM 0 HB2 GLU A 70 9.241 -10.363 15.597 1.00 2.11 H new ATOM 0 HB3 GLU A 70 7.544 -9.930 15.554 1.00 2.11 H new ATOM 0 HG2 GLU A 70 7.594 -11.970 13.686 1.00 3.37 H new ATOM 0 HG3 GLU A 70 8.863 -12.499 14.773 1.00 3.37 H new ATOM 804 N LYS A 71 9.326 -11.212 11.966 1.00 1.67 N ATOM 805 CA LYS A 71 10.364 -11.909 11.163 1.00 1.78 C ATOM 806 C LYS A 71 10.733 -11.065 9.934 1.00 1.55 C ATOM 807 O LYS A 71 11.638 -11.402 9.196 1.00 1.91 O ATOM 808 CB LYS A 71 9.818 -13.262 10.715 1.00 1.93 C ATOM 809 CG LYS A 71 8.543 -13.055 9.897 1.00 2.04 C ATOM 810 CD LYS A 71 8.749 -13.596 8.481 1.00 3.43 C ATOM 811 CE LYS A 71 7.695 -13.003 7.545 1.00 4.45 C ATOM 812 NZ LYS A 71 7.985 -13.414 6.141 1.00 5.76 N ATOM 0 H LYS A 71 8.363 -11.462 11.742 1.00 1.67 H new ATOM 0 HA LYS A 71 11.258 -12.054 11.769 1.00 1.78 H new ATOM 0 HB2 LYS A 71 10.564 -13.787 10.118 1.00 1.93 H new ATOM 0 HB3 LYS A 71 9.608 -13.886 11.583 1.00 1.93 H new ATOM 0 HG2 LYS A 71 7.706 -13.565 10.374 1.00 2.04 H new ATOM 0 HG3 LYS A 71 8.291 -11.995 9.859 1.00 2.04 H new ATOM 0 HD2 LYS A 71 9.748 -13.343 8.126 1.00 3.43 H new ATOM 0 HD3 LYS A 71 8.677 -14.684 8.483 1.00 3.43 H new ATOM 0 HE2 LYS A 71 6.702 -13.344 7.837 1.00 4.45 H new ATOM 0 HE3 LYS A 71 7.694 -11.916 7.624 1.00 4.45 H new ATOM 0 HZ1 LYS A 71 7.267 -13.010 5.506 1.00 5.76 H new ATOM 0 HZ2 LYS A 71 8.926 -13.068 5.865 1.00 5.76 H new ATOM 0 HZ3 LYS A 71 7.964 -14.451 6.072 1.00 5.76 H new ATOM 826 N ASP A 72 10.050 -9.972 9.706 1.00 1.08 N ATOM 827 CA ASP A 72 10.382 -9.124 8.525 1.00 0.94 C ATOM 828 C ASP A 72 11.689 -8.373 8.786 1.00 1.23 C ATOM 829 O ASP A 72 12.360 -7.940 7.869 1.00 1.51 O ATOM 830 CB ASP A 72 9.255 -8.118 8.285 1.00 0.70 C ATOM 831 CG ASP A 72 9.436 -7.461 6.914 1.00 1.78 C ATOM 832 OD1 ASP A 72 10.180 -8.003 6.112 1.00 2.24 O ATOM 833 OD2 ASP A 72 8.830 -6.427 6.690 1.00 2.33 O ATOM 0 H ASP A 72 9.281 -9.633 10.284 1.00 1.08 H new ATOM 0 HA ASP A 72 10.497 -9.757 7.645 1.00 0.94 H new ATOM 0 HB2 ASP A 72 8.289 -8.620 8.334 1.00 0.70 H new ATOM 0 HB3 ASP A 72 9.259 -7.359 9.067 1.00 0.70 H new ATOM 838 N GLY A 73 12.057 -8.214 10.027 1.00 1.52 N ATOM 839 CA GLY A 73 13.321 -7.491 10.342 1.00 1.95 C ATOM 840 C GLY A 73 13.088 -5.984 10.229 1.00 1.76 C ATOM 841 O GLY A 73 13.930 -5.250 9.753 1.00 1.97 O ATOM 0 H GLY A 73 11.537 -8.553 10.836 1.00 1.52 H new ATOM 0 HA2 GLY A 73 13.656 -7.744 11.348 1.00 1.95 H new ATOM 0 HA3 GLY A 73 14.110 -7.800 9.656 1.00 1.95 H new ATOM 845 N CYS A 74 11.948 -5.520 10.662 1.00 1.43 N ATOM 846 CA CYS A 74 11.660 -4.061 10.578 1.00 1.21 C ATOM 847 C CYS A 74 11.443 -3.498 11.985 1.00 1.30 C ATOM 848 O CYS A 74 11.722 -2.347 12.251 1.00 2.05 O ATOM 849 CB CYS A 74 10.402 -3.834 9.740 1.00 1.08 C ATOM 850 SG CYS A 74 10.555 -2.270 8.845 1.00 1.02 S ATOM 0 H CYS A 74 11.205 -6.087 11.070 1.00 1.43 H new ATOM 0 HA CYS A 74 12.504 -3.554 10.111 1.00 1.21 H new ATOM 0 HB2 CYS A 74 10.266 -4.656 9.038 1.00 1.08 H new ATOM 0 HB3 CYS A 74 9.522 -3.814 10.382 1.00 1.08 H new ATOM 855 N PHE A 75 10.948 -4.301 12.886 1.00 0.85 N ATOM 856 CA PHE A 75 10.718 -3.808 14.272 1.00 0.85 C ATOM 857 C PHE A 75 11.974 -4.050 15.110 1.00 0.97 C ATOM 858 O PHE A 75 12.952 -4.593 14.636 1.00 1.34 O ATOM 859 CB PHE A 75 9.535 -4.556 14.888 1.00 0.84 C ATOM 860 CG PHE A 75 8.372 -4.528 13.926 1.00 1.07 C ATOM 861 CD1 PHE A 75 7.626 -3.355 13.760 1.00 0.47 C ATOM 862 CD2 PHE A 75 8.039 -5.677 13.198 1.00 1.91 C ATOM 863 CE1 PHE A 75 6.547 -3.331 12.868 1.00 0.72 C ATOM 864 CE2 PHE A 75 6.961 -5.653 12.306 1.00 2.15 C ATOM 865 CZ PHE A 75 6.214 -4.480 12.141 1.00 1.55 C ATOM 0 H PHE A 75 10.693 -5.275 12.722 1.00 0.85 H new ATOM 0 HA PHE A 75 10.497 -2.741 14.250 1.00 0.85 H new ATOM 0 HB2 PHE A 75 9.816 -5.586 15.107 1.00 0.84 H new ATOM 0 HB3 PHE A 75 9.251 -4.095 15.834 1.00 0.84 H new ATOM 0 HD1 PHE A 75 7.883 -2.468 14.320 1.00 0.47 H new ATOM 0 HD2 PHE A 75 8.614 -6.582 13.325 1.00 1.91 H new ATOM 0 HE1 PHE A 75 5.972 -2.426 12.741 1.00 0.72 H new ATOM 0 HE2 PHE A 75 6.705 -6.539 11.745 1.00 2.15 H new ATOM 0 HZ PHE A 75 5.381 -4.462 11.453 1.00 1.55 H new ATOM 875 N GLN A 76 11.957 -3.650 16.351 1.00 0.72 N ATOM 876 CA GLN A 76 13.154 -3.857 17.215 1.00 0.81 C ATOM 877 C GLN A 76 13.363 -5.353 17.479 1.00 0.89 C ATOM 878 O GLN A 76 14.379 -5.760 18.005 1.00 0.86 O ATOM 879 CB GLN A 76 12.950 -3.133 18.547 1.00 0.82 C ATOM 880 CG GLN A 76 14.242 -2.416 18.945 1.00 0.97 C ATOM 881 CD GLN A 76 13.915 -1.012 19.455 1.00 1.03 C ATOM 882 OE1 GLN A 76 12.856 -0.482 19.178 1.00 1.16 O ATOM 883 NE2 GLN A 76 14.784 -0.380 20.196 1.00 1.91 N ATOM 0 H GLN A 76 11.168 -3.189 16.804 1.00 0.72 H new ATOM 0 HA GLN A 76 14.032 -3.458 16.707 1.00 0.81 H new ATOM 0 HB2 GLN A 76 12.135 -2.414 18.461 1.00 0.82 H new ATOM 0 HB3 GLN A 76 12.665 -3.846 19.320 1.00 0.82 H new ATOM 0 HG2 GLN A 76 14.761 -2.983 19.718 1.00 0.97 H new ATOM 0 HG3 GLN A 76 14.914 -2.355 18.089 1.00 0.97 H new ATOM 0 HE21 GLN A 76 15.673 -0.823 20.430 1.00 1.91 H new ATOM 0 HE22 GLN A 76 14.574 0.556 20.542 1.00 1.91 H new ATOM 892 N SER A 77 12.411 -6.178 17.129 1.00 1.13 N ATOM 893 CA SER A 77 12.571 -7.638 17.375 1.00 1.29 C ATOM 894 C SER A 77 13.241 -8.302 16.168 1.00 1.39 C ATOM 895 O SER A 77 12.661 -9.148 15.516 1.00 1.73 O ATOM 896 CB SER A 77 11.197 -8.268 17.605 1.00 1.22 C ATOM 897 OG SER A 77 10.904 -8.258 18.996 1.00 0.75 O ATOM 0 H SER A 77 11.534 -5.904 16.686 1.00 1.13 H new ATOM 0 HA SER A 77 13.195 -7.786 18.256 1.00 1.29 H new ATOM 0 HB2 SER A 77 10.434 -7.715 17.057 1.00 1.22 H new ATOM 0 HB3 SER A 77 11.184 -9.290 17.226 1.00 1.22 H new ATOM 0 HG SER A 77 10.023 -8.660 19.148 1.00 0.75 H new ATOM 903 N GLY A 78 14.461 -7.939 15.873 1.00 1.20 N ATOM 904 CA GLY A 78 15.165 -8.566 14.715 1.00 1.28 C ATOM 905 C GLY A 78 15.375 -7.538 13.600 1.00 1.19 C ATOM 906 O GLY A 78 15.504 -7.887 12.443 1.00 1.37 O ATOM 0 H GLY A 78 15.000 -7.238 16.382 1.00 1.20 H new ATOM 0 HA2 GLY A 78 16.127 -8.964 15.038 1.00 1.28 H new ATOM 0 HA3 GLY A 78 14.582 -9.407 14.339 1.00 1.28 H new ATOM 910 N PHE A 79 15.416 -6.276 13.930 1.00 0.98 N ATOM 911 CA PHE A 79 15.622 -5.234 12.881 1.00 0.92 C ATOM 912 C PHE A 79 16.850 -5.587 12.037 1.00 0.94 C ATOM 913 O PHE A 79 17.972 -5.295 12.403 1.00 0.87 O ATOM 914 CB PHE A 79 15.840 -3.878 13.557 1.00 0.80 C ATOM 915 CG PHE A 79 15.859 -2.781 12.519 1.00 0.76 C ATOM 916 CD1 PHE A 79 14.898 -2.760 11.500 1.00 1.00 C ATOM 917 CD2 PHE A 79 16.837 -1.782 12.578 1.00 0.74 C ATOM 918 CE1 PHE A 79 14.916 -1.739 10.541 1.00 0.94 C ATOM 919 CE2 PHE A 79 16.856 -0.762 11.619 1.00 0.82 C ATOM 920 CZ PHE A 79 15.895 -0.740 10.602 1.00 0.77 C ATOM 0 H PHE A 79 15.316 -5.920 14.881 1.00 0.98 H new ATOM 0 HA PHE A 79 14.745 -5.188 12.236 1.00 0.92 H new ATOM 0 HB2 PHE A 79 15.047 -3.691 14.281 1.00 0.80 H new ATOM 0 HB3 PHE A 79 16.780 -3.884 14.109 1.00 0.80 H new ATOM 0 HD1 PHE A 79 14.143 -3.531 11.454 1.00 1.00 H new ATOM 0 HD2 PHE A 79 17.578 -1.798 13.364 1.00 0.74 H new ATOM 0 HE1 PHE A 79 14.175 -1.723 9.755 1.00 0.94 H new ATOM 0 HE2 PHE A 79 17.612 0.008 11.664 1.00 0.82 H new ATOM 0 HZ PHE A 79 15.909 0.048 9.864 1.00 0.77 H new ATOM 930 N ASN A 80 16.650 -6.220 10.910 1.00 1.23 N ATOM 931 CA ASN A 80 17.811 -6.596 10.052 1.00 1.30 C ATOM 932 C ASN A 80 18.096 -5.493 9.034 1.00 1.36 C ATOM 933 O ASN A 80 19.160 -5.449 8.451 1.00 2.62 O ATOM 934 CB ASN A 80 17.509 -7.906 9.324 1.00 1.48 C ATOM 935 CG ASN A 80 17.981 -9.083 10.180 1.00 1.47 C ATOM 936 OD1 ASN A 80 18.732 -8.905 11.119 1.00 1.80 O ATOM 937 ND2 ASN A 80 17.569 -10.289 9.898 1.00 1.55 N ATOM 0 H ASN A 80 15.736 -6.492 10.548 1.00 1.23 H new ATOM 0 HA ASN A 80 18.690 -6.726 10.684 1.00 1.30 H new ATOM 0 HB2 ASN A 80 16.440 -7.989 9.130 1.00 1.48 H new ATOM 0 HB3 ASN A 80 18.011 -7.921 8.356 1.00 1.48 H new ATOM 0 HD21 ASN A 80 17.877 -11.079 10.465 1.00 1.55 H new ATOM 0 HD22 ASN A 80 16.939 -10.442 9.111 1.00 1.55 H new ATOM 944 N GLU A 81 17.164 -4.600 8.833 1.00 0.39 N ATOM 945 CA GLU A 81 17.362 -3.471 7.873 1.00 0.38 C ATOM 946 C GLU A 81 17.149 -3.937 6.424 1.00 0.31 C ATOM 947 O GLU A 81 16.161 -3.606 5.801 1.00 0.40 O ATOM 948 CB GLU A 81 18.770 -2.870 8.017 1.00 0.40 C ATOM 949 CG GLU A 81 19.124 -2.715 9.500 1.00 0.87 C ATOM 950 CD GLU A 81 20.452 -3.418 9.784 1.00 1.86 C ATOM 951 OE1 GLU A 81 21.475 -2.899 9.365 1.00 1.64 O ATOM 952 OE2 GLU A 81 20.426 -4.462 10.415 1.00 3.08 O ATOM 0 H GLU A 81 16.258 -4.604 9.301 1.00 0.39 H new ATOM 0 HA GLU A 81 16.623 -2.706 8.110 1.00 0.38 H new ATOM 0 HB2 GLU A 81 19.501 -3.512 7.525 1.00 0.40 H new ATOM 0 HB3 GLU A 81 18.813 -1.900 7.521 1.00 0.40 H new ATOM 0 HG2 GLU A 81 19.197 -1.659 9.759 1.00 0.87 H new ATOM 0 HG3 GLU A 81 18.335 -3.141 10.120 1.00 0.87 H new ATOM 959 N GLU A 82 18.075 -4.679 5.874 1.00 0.25 N ATOM 960 CA GLU A 82 17.926 -5.134 4.459 1.00 0.27 C ATOM 961 C GLU A 82 16.740 -6.092 4.318 1.00 0.26 C ATOM 962 O GLU A 82 16.282 -6.364 3.225 1.00 0.38 O ATOM 963 CB GLU A 82 19.208 -5.848 4.020 1.00 0.36 C ATOM 964 CG GLU A 82 19.240 -5.946 2.494 1.00 0.41 C ATOM 965 CD GLU A 82 19.128 -7.413 2.072 1.00 0.49 C ATOM 966 OE1 GLU A 82 18.094 -8.007 2.334 1.00 1.29 O ATOM 967 OE2 GLU A 82 20.077 -7.915 1.492 1.00 0.44 O ATOM 0 H GLU A 82 18.926 -4.989 6.342 1.00 0.25 H new ATOM 0 HA GLU A 82 17.747 -4.262 3.830 1.00 0.27 H new ATOM 0 HB2 GLU A 82 20.081 -5.303 4.378 1.00 0.36 H new ATOM 0 HB3 GLU A 82 19.251 -6.844 4.460 1.00 0.36 H new ATOM 0 HG2 GLU A 82 18.420 -5.370 2.065 1.00 0.41 H new ATOM 0 HG3 GLU A 82 20.166 -5.516 2.111 1.00 0.41 H new ATOM 974 N THR A 83 16.231 -6.610 5.404 1.00 0.18 N ATOM 975 CA THR A 83 15.079 -7.544 5.296 1.00 0.24 C ATOM 976 C THR A 83 13.789 -6.738 5.203 1.00 0.25 C ATOM 977 O THR A 83 12.910 -7.046 4.423 1.00 0.42 O ATOM 978 CB THR A 83 15.029 -8.453 6.525 1.00 0.21 C ATOM 979 OG1 THR A 83 16.343 -8.891 6.839 1.00 0.43 O ATOM 980 CG2 THR A 83 14.142 -9.661 6.222 1.00 0.65 C ATOM 0 H THR A 83 16.561 -6.428 6.352 1.00 0.18 H new ATOM 0 HA THR A 83 15.193 -8.160 4.404 1.00 0.24 H new ATOM 0 HB THR A 83 14.619 -7.905 7.373 1.00 0.21 H new ATOM 0 HG1 THR A 83 16.301 -9.776 7.258 1.00 0.43 H new ATOM 0 HG21 THR A 83 14.103 -10.312 7.095 1.00 0.65 H new ATOM 0 HG22 THR A 83 13.136 -9.321 5.978 1.00 0.65 H new ATOM 0 HG23 THR A 83 14.554 -10.212 5.377 1.00 0.65 H new ATOM 988 N CYS A 84 13.669 -5.702 5.984 1.00 0.20 N ATOM 989 CA CYS A 84 12.435 -4.880 5.922 1.00 0.32 C ATOM 990 C CYS A 84 12.399 -4.151 4.579 1.00 0.25 C ATOM 991 O CYS A 84 11.349 -3.898 4.022 1.00 0.08 O ATOM 992 CB CYS A 84 12.426 -3.859 7.065 1.00 0.43 C ATOM 993 SG CYS A 84 10.943 -2.823 6.942 1.00 1.16 S ATOM 0 H CYS A 84 14.369 -5.392 6.658 1.00 0.20 H new ATOM 0 HA CYS A 84 11.560 -5.523 6.021 1.00 0.32 H new ATOM 0 HB2 CYS A 84 12.444 -4.373 8.026 1.00 0.43 H new ATOM 0 HB3 CYS A 84 13.321 -3.238 7.019 1.00 0.43 H new ATOM 998 N LEU A 85 13.544 -3.812 4.054 1.00 0.45 N ATOM 999 CA LEU A 85 13.584 -3.101 2.750 1.00 0.44 C ATOM 1000 C LEU A 85 13.135 -4.055 1.640 1.00 0.43 C ATOM 1001 O LEU A 85 12.332 -3.706 0.807 1.00 0.39 O ATOM 1002 CB LEU A 85 15.012 -2.621 2.474 1.00 0.47 C ATOM 1003 CG LEU A 85 15.000 -1.584 1.349 1.00 0.46 C ATOM 1004 CD1 LEU A 85 14.498 -0.245 1.893 1.00 0.55 C ATOM 1005 CD2 LEU A 85 16.420 -1.409 0.804 1.00 0.63 C ATOM 0 H LEU A 85 14.454 -3.998 4.475 1.00 0.45 H new ATOM 0 HA LEU A 85 12.916 -2.240 2.780 1.00 0.44 H new ATOM 0 HB2 LEU A 85 15.441 -2.187 3.377 1.00 0.47 H new ATOM 0 HB3 LEU A 85 15.642 -3.466 2.196 1.00 0.47 H new ATOM 0 HG LEU A 85 14.340 -1.923 0.550 1.00 0.46 H new ATOM 0 HD11 LEU A 85 14.490 0.493 1.091 1.00 0.55 H new ATOM 0 HD12 LEU A 85 13.488 -0.367 2.285 1.00 0.55 H new ATOM 0 HD13 LEU A 85 15.158 0.094 2.691 1.00 0.55 H new ATOM 0 HD21 LEU A 85 16.414 -0.671 0.002 1.00 0.63 H new ATOM 0 HD22 LEU A 85 17.078 -1.070 1.604 1.00 0.63 H new ATOM 0 HD23 LEU A 85 16.781 -2.362 0.417 1.00 0.63 H new ATOM 1017 N VAL A 86 13.640 -5.259 1.621 1.00 0.49 N ATOM 1018 CA VAL A 86 13.218 -6.217 0.557 1.00 0.49 C ATOM 1019 C VAL A 86 11.709 -6.440 0.659 1.00 0.50 C ATOM 1020 O VAL A 86 11.018 -6.519 -0.336 1.00 0.58 O ATOM 1021 CB VAL A 86 13.971 -7.544 0.741 1.00 0.58 C ATOM 1022 CG1 VAL A 86 13.412 -8.617 -0.203 1.00 0.70 C ATOM 1023 CG2 VAL A 86 15.452 -7.325 0.425 1.00 0.50 C ATOM 0 H VAL A 86 14.321 -5.619 2.290 1.00 0.49 H new ATOM 0 HA VAL A 86 13.453 -5.814 -0.428 1.00 0.49 H new ATOM 0 HB VAL A 86 13.847 -7.880 1.770 1.00 0.58 H new ATOM 0 HG11 VAL A 86 13.958 -9.549 -0.058 1.00 0.70 H new ATOM 0 HG12 VAL A 86 12.356 -8.777 0.013 1.00 0.70 H new ATOM 0 HG13 VAL A 86 13.525 -8.287 -1.236 1.00 0.70 H new ATOM 0 HG21 VAL A 86 15.994 -8.262 0.553 1.00 0.50 H new ATOM 0 HG22 VAL A 86 15.558 -6.983 -0.604 1.00 0.50 H new ATOM 0 HG23 VAL A 86 15.861 -6.574 1.101 1.00 0.50 H new ATOM 1033 N LYS A 87 11.188 -6.533 1.849 1.00 0.44 N ATOM 1034 CA LYS A 87 9.723 -6.738 1.995 1.00 0.45 C ATOM 1035 C LYS A 87 9.001 -5.444 1.611 1.00 0.35 C ATOM 1036 O LYS A 87 7.839 -5.456 1.261 1.00 0.29 O ATOM 1037 CB LYS A 87 9.395 -7.102 3.444 1.00 0.58 C ATOM 1038 CG LYS A 87 8.722 -8.475 3.487 1.00 0.75 C ATOM 1039 CD LYS A 87 9.788 -9.562 3.641 1.00 1.47 C ATOM 1040 CE LYS A 87 9.155 -10.815 4.248 1.00 1.27 C ATOM 1041 NZ LYS A 87 7.900 -11.142 3.514 1.00 0.62 N ATOM 0 H LYS A 87 11.711 -6.476 2.723 1.00 0.44 H new ATOM 0 HA LYS A 87 9.397 -7.549 1.344 1.00 0.45 H new ATOM 0 HB2 LYS A 87 10.306 -7.113 4.042 1.00 0.58 H new ATOM 0 HB3 LYS A 87 8.737 -6.349 3.879 1.00 0.58 H new ATOM 0 HG2 LYS A 87 8.018 -8.521 4.318 1.00 0.75 H new ATOM 0 HG3 LYS A 87 8.149 -8.640 2.575 1.00 0.75 H new ATOM 0 HD2 LYS A 87 10.226 -9.797 2.671 1.00 1.47 H new ATOM 0 HD3 LYS A 87 10.597 -9.205 4.278 1.00 1.47 H new ATOM 0 HE2 LYS A 87 9.851 -11.652 4.190 1.00 1.27 H new ATOM 0 HE3 LYS A 87 8.940 -10.652 5.304 1.00 1.27 H new ATOM 0 HZ1 LYS A 87 7.624 -12.124 3.718 1.00 0.62 H new ATOM 0 HZ2 LYS A 87 7.142 -10.499 3.819 1.00 0.62 H new ATOM 0 HZ3 LYS A 87 8.057 -11.032 2.492 1.00 0.62 H new ATOM 1055 N ILE A 88 9.680 -4.325 1.668 1.00 0.38 N ATOM 1056 CA ILE A 88 9.021 -3.042 1.292 1.00 0.33 C ATOM 1057 C ILE A 88 8.886 -2.992 -0.233 1.00 0.20 C ATOM 1058 O ILE A 88 7.952 -2.428 -0.767 1.00 0.20 O ATOM 1059 CB ILE A 88 9.832 -1.845 1.846 1.00 0.38 C ATOM 1060 CG1 ILE A 88 8.884 -0.670 2.076 1.00 1.43 C ATOM 1061 CG2 ILE A 88 10.956 -1.398 0.891 1.00 2.09 C ATOM 1062 CD1 ILE A 88 8.564 -0.565 3.565 1.00 0.57 C ATOM 0 H ILE A 88 10.655 -4.247 1.957 1.00 0.38 H new ATOM 0 HA ILE A 88 8.025 -2.980 1.730 1.00 0.33 H new ATOM 0 HB ILE A 88 10.299 -2.167 2.777 1.00 0.38 H new ATOM 0 HG12 ILE A 88 9.341 0.255 1.724 1.00 1.43 H new ATOM 0 HG13 ILE A 88 7.967 -0.810 1.504 1.00 1.43 H new ATOM 0 HG21 ILE A 88 11.492 -0.556 1.329 1.00 2.09 H new ATOM 0 HG22 ILE A 88 11.648 -2.225 0.731 1.00 2.09 H new ATOM 0 HG23 ILE A 88 10.524 -1.096 -0.063 1.00 2.09 H new ATOM 0 HD11 ILE A 88 7.887 0.273 3.734 1.00 0.57 H new ATOM 0 HD12 ILE A 88 8.090 -1.487 3.901 1.00 0.57 H new ATOM 0 HD13 ILE A 88 9.486 -0.405 4.125 1.00 0.57 H new ATOM 1074 N ILE A 89 9.800 -3.609 -0.935 1.00 0.17 N ATOM 1075 CA ILE A 89 9.711 -3.634 -2.419 1.00 0.15 C ATOM 1076 C ILE A 89 8.591 -4.591 -2.783 1.00 0.17 C ATOM 1077 O ILE A 89 7.597 -4.229 -3.379 1.00 0.30 O ATOM 1078 CB ILE A 89 11.018 -4.175 -2.995 1.00 0.27 C ATOM 1079 CG1 ILE A 89 12.197 -3.402 -2.398 1.00 0.32 C ATOM 1080 CG2 ILE A 89 11.017 -4.004 -4.516 1.00 0.34 C ATOM 1081 CD1 ILE A 89 13.510 -3.948 -2.964 1.00 1.06 C ATOM 0 H ILE A 89 10.605 -4.097 -0.541 1.00 0.17 H new ATOM 0 HA ILE A 89 9.528 -2.634 -2.813 1.00 0.15 H new ATOM 0 HB ILE A 89 11.112 -5.232 -2.748 1.00 0.27 H new ATOM 0 HG12 ILE A 89 12.103 -2.341 -2.629 1.00 0.32 H new ATOM 0 HG13 ILE A 89 12.192 -3.493 -1.312 1.00 0.32 H new ATOM 0 HG21 ILE A 89 11.950 -4.390 -4.926 1.00 0.34 H new ATOM 0 HG22 ILE A 89 10.178 -4.553 -4.943 1.00 0.34 H new ATOM 0 HG23 ILE A 89 10.922 -2.947 -4.763 1.00 0.34 H new ATOM 0 HD11 ILE A 89 14.348 -3.396 -2.537 1.00 1.06 H new ATOM 0 HD12 ILE A 89 13.604 -5.004 -2.710 1.00 1.06 H new ATOM 0 HD13 ILE A 89 13.514 -3.834 -4.048 1.00 1.06 H new ATOM 1093 N THR A 90 8.759 -5.817 -2.395 1.00 0.16 N ATOM 1094 CA THR A 90 7.733 -6.852 -2.665 1.00 0.24 C ATOM 1095 C THR A 90 6.388 -6.395 -2.099 1.00 0.23 C ATOM 1096 O THR A 90 5.340 -6.842 -2.522 1.00 0.32 O ATOM 1097 CB THR A 90 8.146 -8.148 -1.970 1.00 0.29 C ATOM 1098 OG1 THR A 90 9.090 -7.872 -0.944 1.00 1.57 O ATOM 1099 CG2 THR A 90 8.759 -9.106 -2.981 1.00 1.33 C ATOM 0 H THR A 90 9.580 -6.152 -1.892 1.00 0.16 H new ATOM 0 HA THR A 90 7.644 -7.011 -3.740 1.00 0.24 H new ATOM 0 HB THR A 90 7.261 -8.607 -1.529 1.00 0.29 H new ATOM 0 HG1 THR A 90 9.973 -7.724 -1.343 1.00 1.57 H new ATOM 0 HG21 THR A 90 9.051 -10.028 -2.478 1.00 1.33 H new ATOM 0 HG22 THR A 90 8.028 -9.332 -3.757 1.00 1.33 H new ATOM 0 HG23 THR A 90 9.637 -8.645 -3.433 1.00 1.33 H new ATOM 1107 N GLY A 91 6.411 -5.520 -1.132 1.00 0.15 N ATOM 1108 CA GLY A 91 5.139 -5.045 -0.523 1.00 0.16 C ATOM 1109 C GLY A 91 4.511 -3.969 -1.408 1.00 0.15 C ATOM 1110 O GLY A 91 3.308 -3.880 -1.525 1.00 0.21 O ATOM 0 H GLY A 91 7.259 -5.113 -0.737 1.00 0.15 H new ATOM 0 HA2 GLY A 91 4.448 -5.880 -0.404 1.00 0.16 H new ATOM 0 HA3 GLY A 91 5.329 -4.644 0.473 1.00 0.16 H new ATOM 1114 N LEU A 92 5.314 -3.146 -2.021 1.00 0.13 N ATOM 1115 CA LEU A 92 4.756 -2.070 -2.886 1.00 0.14 C ATOM 1116 C LEU A 92 4.288 -2.658 -4.221 1.00 0.18 C ATOM 1117 O LEU A 92 3.430 -2.108 -4.878 1.00 0.17 O ATOM 1118 CB LEU A 92 5.832 -1.015 -3.142 1.00 0.11 C ATOM 1119 CG LEU A 92 5.989 -0.140 -1.899 1.00 0.16 C ATOM 1120 CD1 LEU A 92 7.430 0.360 -1.803 1.00 0.42 C ATOM 1121 CD2 LEU A 92 5.040 1.057 -1.998 1.00 0.19 C ATOM 0 H LEU A 92 6.332 -3.172 -1.961 1.00 0.13 H new ATOM 0 HA LEU A 92 3.905 -1.612 -2.382 1.00 0.14 H new ATOM 0 HB2 LEU A 92 6.779 -1.497 -3.383 1.00 0.11 H new ATOM 0 HB3 LEU A 92 5.559 -0.401 -4.000 1.00 0.11 H new ATOM 0 HG LEU A 92 5.749 -0.725 -1.011 1.00 0.16 H new ATOM 0 HD11 LEU A 92 7.540 0.984 -0.916 1.00 0.42 H new ATOM 0 HD12 LEU A 92 8.107 -0.492 -1.734 1.00 0.42 H new ATOM 0 HD13 LEU A 92 7.672 0.945 -2.690 1.00 0.42 H new ATOM 0 HD21 LEU A 92 5.150 1.683 -1.112 1.00 0.19 H new ATOM 0 HD22 LEU A 92 5.281 1.640 -2.887 1.00 0.19 H new ATOM 0 HD23 LEU A 92 4.012 0.702 -2.066 1.00 0.19 H new ATOM 1133 N LEU A 93 4.841 -3.772 -4.630 1.00 0.23 N ATOM 1134 CA LEU A 93 4.410 -4.388 -5.923 1.00 0.28 C ATOM 1135 C LEU A 93 3.012 -4.982 -5.735 1.00 0.35 C ATOM 1136 O LEU A 93 2.088 -4.713 -6.490 1.00 0.42 O ATOM 1137 CB LEU A 93 5.394 -5.493 -6.318 1.00 0.25 C ATOM 1138 CG LEU A 93 6.724 -4.865 -6.744 1.00 0.10 C ATOM 1139 CD1 LEU A 93 7.884 -5.677 -6.163 1.00 0.28 C ATOM 1140 CD2 LEU A 93 6.817 -4.865 -8.270 1.00 0.49 C ATOM 0 H LEU A 93 5.569 -4.280 -4.128 1.00 0.23 H new ATOM 0 HA LEU A 93 4.391 -3.635 -6.711 1.00 0.28 H new ATOM 0 HB2 LEU A 93 5.552 -6.171 -5.479 1.00 0.25 H new ATOM 0 HB3 LEU A 93 4.982 -6.087 -7.134 1.00 0.25 H new ATOM 0 HG LEU A 93 6.778 -3.841 -6.374 1.00 0.10 H new ATOM 0 HD11 LEU A 93 8.830 -5.229 -6.467 1.00 0.28 H new ATOM 0 HD12 LEU A 93 7.817 -5.680 -5.075 1.00 0.28 H new ATOM 0 HD13 LEU A 93 7.832 -6.701 -6.533 1.00 0.28 H new ATOM 0 HD21 LEU A 93 7.763 -4.418 -8.577 1.00 0.49 H new ATOM 0 HD22 LEU A 93 6.763 -5.890 -8.638 1.00 0.49 H new ATOM 0 HD23 LEU A 93 5.991 -4.287 -8.685 1.00 0.49 H new ATOM 1152 N GLU A 94 2.838 -5.768 -4.712 1.00 0.34 N ATOM 1153 CA GLU A 94 1.499 -6.348 -4.452 1.00 0.41 C ATOM 1154 C GLU A 94 0.555 -5.182 -4.153 1.00 0.43 C ATOM 1155 O GLU A 94 -0.599 -5.167 -4.544 1.00 0.55 O ATOM 1156 CB GLU A 94 1.586 -7.292 -3.250 1.00 0.43 C ATOM 1157 CG GLU A 94 1.481 -8.741 -3.733 1.00 0.58 C ATOM 1158 CD GLU A 94 0.301 -9.428 -3.043 1.00 0.85 C ATOM 1159 OE1 GLU A 94 -0.754 -8.821 -2.973 1.00 1.33 O ATOM 1160 OE2 GLU A 94 0.475 -10.550 -2.596 1.00 1.14 O ATOM 0 H GLU A 94 3.565 -6.032 -4.047 1.00 0.34 H new ATOM 0 HA GLU A 94 1.135 -6.918 -5.307 1.00 0.41 H new ATOM 0 HB2 GLU A 94 2.527 -7.140 -2.722 1.00 0.43 H new ATOM 0 HB3 GLU A 94 0.785 -7.074 -2.543 1.00 0.43 H new ATOM 0 HG2 GLU A 94 1.347 -8.766 -4.814 1.00 0.58 H new ATOM 0 HG3 GLU A 94 2.405 -9.276 -3.514 1.00 0.58 H new ATOM 1167 N PHE A 95 1.066 -4.177 -3.495 1.00 0.31 N ATOM 1168 CA PHE A 95 0.240 -2.981 -3.196 1.00 0.32 C ATOM 1169 C PHE A 95 -0.137 -2.328 -4.518 1.00 0.35 C ATOM 1170 O PHE A 95 -1.166 -1.707 -4.640 1.00 0.36 O ATOM 1171 CB PHE A 95 1.056 -1.980 -2.378 1.00 0.26 C ATOM 1172 CG PHE A 95 0.822 -2.190 -0.905 1.00 0.24 C ATOM 1173 CD1 PHE A 95 -0.475 -2.375 -0.418 1.00 0.83 C ATOM 1174 CD2 PHE A 95 1.907 -2.194 -0.027 1.00 1.02 C ATOM 1175 CE1 PHE A 95 -0.685 -2.566 0.950 1.00 0.85 C ATOM 1176 CE2 PHE A 95 1.701 -2.385 1.341 1.00 1.00 C ATOM 1177 CZ PHE A 95 0.403 -2.571 1.832 1.00 0.21 C ATOM 0 H PHE A 95 2.026 -4.136 -3.151 1.00 0.31 H new ATOM 0 HA PHE A 95 -0.646 -3.273 -2.633 1.00 0.32 H new ATOM 0 HB2 PHE A 95 2.116 -2.095 -2.604 1.00 0.26 H new ATOM 0 HB3 PHE A 95 0.779 -0.963 -2.655 1.00 0.26 H new ATOM 0 HD1 PHE A 95 -1.314 -2.370 -1.098 1.00 0.83 H new ATOM 0 HD2 PHE A 95 2.908 -2.049 -0.406 1.00 1.02 H new ATOM 0 HE1 PHE A 95 -1.687 -2.710 1.327 1.00 0.85 H new ATOM 0 HE2 PHE A 95 2.542 -2.389 2.019 1.00 1.00 H new ATOM 0 HZ PHE A 95 0.241 -2.718 2.890 1.00 0.21 H new ATOM 1187 N GLU A 96 0.706 -2.468 -5.508 1.00 0.35 N ATOM 1188 CA GLU A 96 0.419 -1.860 -6.834 1.00 0.38 C ATOM 1189 C GLU A 96 -0.850 -2.484 -7.398 1.00 0.43 C ATOM 1190 O GLU A 96 -1.689 -1.799 -7.948 1.00 0.45 O ATOM 1191 CB GLU A 96 1.587 -2.114 -7.786 1.00 0.38 C ATOM 1192 CG GLU A 96 2.210 -0.780 -8.190 1.00 0.49 C ATOM 1193 CD GLU A 96 3.064 -0.973 -9.445 1.00 1.48 C ATOM 1194 OE1 GLU A 96 2.522 -0.848 -10.531 1.00 1.41 O ATOM 1195 OE2 GLU A 96 4.245 -1.242 -9.298 1.00 2.86 O ATOM 0 H GLU A 96 1.586 -2.981 -5.451 1.00 0.35 H new ATOM 0 HA GLU A 96 0.284 -0.784 -6.723 1.00 0.38 H new ATOM 0 HB2 GLU A 96 2.333 -2.745 -7.304 1.00 0.38 H new ATOM 0 HB3 GLU A 96 1.240 -2.649 -8.670 1.00 0.38 H new ATOM 0 HG2 GLU A 96 1.428 -0.044 -8.379 1.00 0.49 H new ATOM 0 HG3 GLU A 96 2.823 -0.392 -7.377 1.00 0.49 H new ATOM 1202 N VAL A 97 -1.016 -3.775 -7.260 1.00 0.47 N ATOM 1203 CA VAL A 97 -2.272 -4.393 -7.784 1.00 0.52 C ATOM 1204 C VAL A 97 -3.445 -3.806 -6.982 1.00 0.49 C ATOM 1205 O VAL A 97 -4.526 -3.571 -7.501 1.00 0.56 O ATOM 1206 CB VAL A 97 -2.221 -5.933 -7.667 1.00 0.56 C ATOM 1207 CG1 VAL A 97 -2.287 -6.391 -6.207 1.00 0.57 C ATOM 1208 CG2 VAL A 97 -3.400 -6.540 -8.432 1.00 0.64 C ATOM 0 H VAL A 97 -0.355 -4.414 -6.819 1.00 0.47 H new ATOM 0 HA VAL A 97 -2.395 -4.168 -8.843 1.00 0.52 H new ATOM 0 HB VAL A 97 -1.274 -6.270 -8.090 1.00 0.56 H new ATOM 0 HG11 VAL A 97 -2.249 -7.480 -6.165 1.00 0.57 H new ATOM 0 HG12 VAL A 97 -1.442 -5.977 -5.657 1.00 0.57 H new ATOM 0 HG13 VAL A 97 -3.217 -6.043 -5.758 1.00 0.57 H new ATOM 0 HG21 VAL A 97 -3.366 -7.626 -8.351 1.00 0.64 H new ATOM 0 HG22 VAL A 97 -4.335 -6.174 -8.009 1.00 0.64 H new ATOM 0 HG23 VAL A 97 -3.339 -6.253 -9.482 1.00 0.64 H new ATOM 1218 N TYR A 98 -3.225 -3.518 -5.724 1.00 0.37 N ATOM 1219 CA TYR A 98 -4.306 -2.909 -4.902 1.00 0.34 C ATOM 1220 C TYR A 98 -4.487 -1.455 -5.349 1.00 0.28 C ATOM 1221 O TYR A 98 -5.545 -0.872 -5.200 1.00 0.28 O ATOM 1222 CB TYR A 98 -3.923 -2.959 -3.422 1.00 0.31 C ATOM 1223 CG TYR A 98 -4.047 -4.381 -2.927 1.00 0.41 C ATOM 1224 CD1 TYR A 98 -5.312 -4.940 -2.711 1.00 0.59 C ATOM 1225 CD2 TYR A 98 -2.896 -5.139 -2.684 1.00 0.43 C ATOM 1226 CE1 TYR A 98 -5.427 -6.257 -2.253 1.00 0.76 C ATOM 1227 CE2 TYR A 98 -3.011 -6.457 -2.225 1.00 0.57 C ATOM 1228 CZ TYR A 98 -4.278 -7.016 -2.010 1.00 0.74 C ATOM 1229 OH TYR A 98 -4.396 -8.314 -1.556 1.00 0.92 O ATOM 0 H TYR A 98 -2.345 -3.679 -5.235 1.00 0.37 H new ATOM 0 HA TYR A 98 -5.237 -3.459 -5.036 1.00 0.34 H new ATOM 0 HB2 TYR A 98 -2.903 -2.601 -3.285 1.00 0.31 H new ATOM 0 HB3 TYR A 98 -4.572 -2.301 -2.843 1.00 0.31 H new ATOM 0 HD1 TYR A 98 -6.200 -4.354 -2.898 1.00 0.59 H new ATOM 0 HD2 TYR A 98 -1.920 -4.708 -2.850 1.00 0.43 H new ATOM 0 HE1 TYR A 98 -6.403 -6.688 -2.087 1.00 0.76 H new ATOM 0 HE2 TYR A 98 -2.123 -7.043 -2.037 1.00 0.57 H new ATOM 0 HH TYR A 98 -5.344 -8.541 -1.458 1.00 0.92 H new ATOM 1239 N LEU A 99 -3.470 -0.884 -5.938 1.00 0.27 N ATOM 1240 CA LEU A 99 -3.580 0.505 -6.442 1.00 0.29 C ATOM 1241 C LEU A 99 -4.450 0.448 -7.684 1.00 0.37 C ATOM 1242 O LEU A 99 -5.212 1.347 -7.971 1.00 0.39 O ATOM 1243 CB LEU A 99 -2.194 1.044 -6.796 1.00 0.35 C ATOM 1244 CG LEU A 99 -1.422 1.339 -5.511 1.00 0.32 C ATOM 1245 CD1 LEU A 99 -0.018 1.836 -5.857 1.00 0.33 C ATOM 1246 CD2 LEU A 99 -2.163 2.414 -4.715 1.00 0.36 C ATOM 0 H LEU A 99 -2.564 -1.328 -6.090 1.00 0.27 H new ATOM 0 HA LEU A 99 -4.012 1.165 -5.690 1.00 0.29 H new ATOM 0 HB2 LEU A 99 -1.652 0.317 -7.400 1.00 0.35 H new ATOM 0 HB3 LEU A 99 -2.286 1.950 -7.395 1.00 0.35 H new ATOM 0 HG LEU A 99 -1.344 0.429 -4.915 1.00 0.32 H new ATOM 0 HD11 LEU A 99 0.530 2.046 -4.939 1.00 0.33 H new ATOM 0 HD12 LEU A 99 0.509 1.071 -6.427 1.00 0.33 H new ATOM 0 HD13 LEU A 99 -0.091 2.746 -6.452 1.00 0.33 H new ATOM 0 HD21 LEU A 99 -1.616 2.628 -3.797 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -2.238 3.322 -5.313 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -3.163 2.059 -4.467 1.00 0.36 H new ATOM 1258 N GLU A 100 -4.381 -0.654 -8.392 1.00 0.43 N ATOM 1259 CA GLU A 100 -5.238 -0.836 -9.581 1.00 0.53 C ATOM 1260 C GLU A 100 -6.669 -0.760 -9.073 1.00 0.50 C ATOM 1261 O GLU A 100 -7.555 -0.225 -9.711 1.00 0.52 O ATOM 1262 CB GLU A 100 -4.966 -2.216 -10.182 1.00 0.63 C ATOM 1263 CG GLU A 100 -5.052 -2.150 -11.706 1.00 0.65 C ATOM 1264 CD GLU A 100 -6.438 -1.653 -12.123 1.00 1.07 C ATOM 1265 OE1 GLU A 100 -7.367 -2.441 -12.076 1.00 1.81 O ATOM 1266 OE2 GLU A 100 -6.544 -0.492 -12.484 1.00 0.88 O ATOM 0 H GLU A 100 -3.759 -1.436 -8.186 1.00 0.43 H new ATOM 0 HA GLU A 100 -5.050 -0.086 -10.349 1.00 0.53 H new ATOM 0 HB2 GLU A 100 -3.978 -2.565 -9.880 1.00 0.63 H new ATOM 0 HB3 GLU A 100 -5.689 -2.937 -9.800 1.00 0.63 H new ATOM 0 HG2 GLU A 100 -4.283 -1.482 -12.095 1.00 0.65 H new ATOM 0 HG3 GLU A 100 -4.864 -3.135 -12.134 1.00 0.65 H new ATOM 1273 N TYR A 101 -6.875 -1.272 -7.888 1.00 0.45 N ATOM 1274 CA TYR A 101 -8.218 -1.217 -7.270 1.00 0.42 C ATOM 1275 C TYR A 101 -8.644 0.240 -7.143 1.00 0.35 C ATOM 1276 O TYR A 101 -9.723 0.627 -7.540 1.00 0.35 O ATOM 1277 CB TYR A 101 -8.162 -1.845 -5.876 1.00 0.41 C ATOM 1278 CG TYR A 101 -9.287 -2.834 -5.730 1.00 0.46 C ATOM 1279 CD1 TYR A 101 -9.197 -4.081 -6.350 1.00 0.98 C ATOM 1280 CD2 TYR A 101 -10.421 -2.500 -4.985 1.00 0.29 C ATOM 1281 CE1 TYR A 101 -10.241 -5.000 -6.231 1.00 1.03 C ATOM 1282 CE2 TYR A 101 -11.469 -3.420 -4.861 1.00 0.27 C ATOM 1283 CZ TYR A 101 -11.380 -4.671 -5.485 1.00 0.54 C ATOM 1284 OH TYR A 101 -12.414 -5.581 -5.369 1.00 0.59 O ATOM 0 H TYR A 101 -6.159 -1.728 -7.323 1.00 0.45 H new ATOM 0 HA TYR A 101 -8.931 -1.763 -7.888 1.00 0.42 H new ATOM 0 HB2 TYR A 101 -7.204 -2.342 -5.727 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -8.242 -1.071 -5.113 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -8.318 -4.336 -6.923 1.00 0.98 H new ATOM 0 HD2 TYR A 101 -10.489 -1.534 -4.506 1.00 0.29 H new ATOM 0 HE1 TYR A 101 -10.171 -5.964 -6.714 1.00 1.03 H new ATOM 0 HE2 TYR A 101 -12.346 -3.165 -4.284 1.00 0.27 H new ATOM 0 HH TYR A 101 -13.127 -5.197 -4.818 1.00 0.59 H new ATOM 1294 N LEU A 102 -7.801 1.044 -6.575 1.00 0.29 N ATOM 1295 CA LEU A 102 -8.146 2.479 -6.389 1.00 0.23 C ATOM 1296 C LEU A 102 -7.659 3.296 -7.588 1.00 0.31 C ATOM 1297 O LEU A 102 -7.610 4.507 -7.537 1.00 0.33 O ATOM 1298 CB LEU A 102 -7.481 2.994 -5.112 1.00 0.17 C ATOM 1299 CG LEU A 102 -7.628 1.956 -3.994 1.00 0.18 C ATOM 1300 CD1 LEU A 102 -6.283 1.760 -3.303 1.00 0.18 C ATOM 1301 CD2 LEU A 102 -8.665 2.442 -2.987 1.00 0.23 C ATOM 0 H LEU A 102 -6.881 0.771 -6.228 1.00 0.29 H new ATOM 0 HA LEU A 102 -9.228 2.582 -6.308 1.00 0.23 H new ATOM 0 HB2 LEU A 102 -6.426 3.196 -5.297 1.00 0.17 H new ATOM 0 HB3 LEU A 102 -7.937 3.936 -4.808 1.00 0.17 H new ATOM 0 HG LEU A 102 -7.955 1.005 -4.415 1.00 0.18 H new ATOM 0 HD11 LEU A 102 -6.387 1.022 -2.508 1.00 0.18 H new ATOM 0 HD12 LEU A 102 -5.549 1.411 -4.029 1.00 0.18 H new ATOM 0 HD13 LEU A 102 -5.951 2.707 -2.878 1.00 0.18 H new ATOM 0 HD21 LEU A 102 -8.772 1.706 -2.191 1.00 0.23 H new ATOM 0 HD22 LEU A 102 -8.342 3.392 -2.562 1.00 0.23 H new ATOM 0 HD23 LEU A 102 -9.624 2.576 -3.488 1.00 0.23 H new ATOM 1313 N GLN A 103 -7.301 2.655 -8.665 1.00 0.40 N ATOM 1314 CA GLN A 103 -6.822 3.418 -9.850 1.00 0.50 C ATOM 1315 C GLN A 103 -8.019 3.798 -10.724 1.00 0.47 C ATOM 1316 O GLN A 103 -8.040 4.842 -11.348 1.00 0.35 O ATOM 1317 CB GLN A 103 -5.850 2.561 -10.666 1.00 0.64 C ATOM 1318 CG GLN A 103 -5.087 3.449 -11.652 1.00 0.67 C ATOM 1319 CD GLN A 103 -4.519 2.588 -12.782 1.00 0.83 C ATOM 1320 OE1 GLN A 103 -3.605 1.815 -12.573 1.00 1.47 O ATOM 1321 NE2 GLN A 103 -5.024 2.689 -13.982 1.00 1.13 N ATOM 0 H GLN A 103 -7.319 1.641 -8.776 1.00 0.40 H new ATOM 0 HA GLN A 103 -6.309 4.319 -9.513 1.00 0.50 H new ATOM 0 HB2 GLN A 103 -5.151 2.054 -10.002 1.00 0.64 H new ATOM 0 HB3 GLN A 103 -6.396 1.787 -11.205 1.00 0.64 H new ATOM 0 HG2 GLN A 103 -5.751 4.211 -12.060 1.00 0.67 H new ATOM 0 HG3 GLN A 103 -4.280 3.971 -11.138 1.00 0.67 H new ATOM 0 HE21 GLN A 103 -5.791 3.337 -14.160 1.00 1.13 H new ATOM 0 HE22 GLN A 103 -4.651 2.120 -14.742 1.00 1.13 H new ATOM 1330 N ASN A 104 -9.011 2.953 -10.786 1.00 0.69 N ATOM 1331 CA ASN A 104 -10.202 3.258 -11.631 1.00 0.67 C ATOM 1332 C ASN A 104 -11.484 3.196 -10.792 1.00 0.70 C ATOM 1333 O ASN A 104 -12.462 3.850 -11.093 1.00 0.70 O ATOM 1334 CB ASN A 104 -10.291 2.230 -12.760 1.00 0.65 C ATOM 1335 CG ASN A 104 -11.002 2.849 -13.965 1.00 0.81 C ATOM 1336 OD1 ASN A 104 -10.420 3.624 -14.696 1.00 0.61 O ATOM 1337 ND2 ASN A 104 -12.247 2.537 -14.204 1.00 1.88 N ATOM 0 H ASN A 104 -9.049 2.064 -10.288 1.00 0.69 H new ATOM 0 HA ASN A 104 -10.097 4.262 -12.042 1.00 0.67 H new ATOM 0 HB2 ASN A 104 -9.292 1.901 -13.045 1.00 0.65 H new ATOM 0 HB3 ASN A 104 -10.833 1.347 -12.420 1.00 0.65 H new ATOM 0 HD21 ASN A 104 -12.730 2.944 -15.005 1.00 1.88 H new ATOM 0 HD22 ASN A 104 -12.736 1.886 -13.590 1.00 1.88 H new ATOM 1344 N ARG A 105 -11.497 2.407 -9.751 1.00 0.72 N ATOM 1345 CA ARG A 105 -12.725 2.301 -8.914 1.00 0.76 C ATOM 1346 C ARG A 105 -13.095 3.676 -8.353 1.00 0.78 C ATOM 1347 O ARG A 105 -14.230 3.926 -8.003 1.00 0.85 O ATOM 1348 CB ARG A 105 -12.475 1.324 -7.761 1.00 0.80 C ATOM 1349 CG ARG A 105 -12.175 -0.067 -8.327 1.00 1.90 C ATOM 1350 CD ARG A 105 -13.340 -0.530 -9.203 1.00 2.62 C ATOM 1351 NE ARG A 105 -13.044 -0.212 -10.627 1.00 3.89 N ATOM 1352 CZ ARG A 105 -13.967 -0.366 -11.537 1.00 4.86 C ATOM 1353 NH1 ARG A 105 -15.090 0.290 -11.443 1.00 4.71 N ATOM 1354 NH2 ARG A 105 -13.764 -1.175 -12.540 1.00 6.14 N ATOM 0 H ARG A 105 -10.711 1.833 -9.445 1.00 0.72 H new ATOM 0 HA ARG A 105 -13.547 1.935 -9.529 1.00 0.76 H new ATOM 0 HB2 ARG A 105 -11.639 1.669 -7.153 1.00 0.80 H new ATOM 0 HB3 ARG A 105 -13.348 1.283 -7.109 1.00 0.80 H new ATOM 0 HG2 ARG A 105 -11.256 -0.042 -8.912 1.00 1.90 H new ATOM 0 HG3 ARG A 105 -12.016 -0.775 -7.513 1.00 1.90 H new ATOM 0 HD2 ARG A 105 -13.496 -1.602 -9.083 1.00 2.62 H new ATOM 0 HD3 ARG A 105 -14.261 -0.037 -8.893 1.00 2.62 H new ATOM 0 HE ARG A 105 -12.119 0.127 -10.892 1.00 3.89 H new ATOM 0 HH11 ARG A 105 -15.247 0.923 -10.659 1.00 4.71 H new ATOM 0 HH12 ARG A 105 -15.812 0.170 -12.154 1.00 4.71 H new ATOM 0 HH21 ARG A 105 -12.885 -1.687 -12.613 1.00 6.14 H new ATOM 0 HH22 ARG A 105 -14.485 -1.296 -13.252 1.00 6.14 H new ATOM 1368 N PHE A 106 -12.151 4.572 -8.266 1.00 0.73 N ATOM 1369 CA PHE A 106 -12.466 5.927 -7.731 1.00 0.75 C ATOM 1370 C PHE A 106 -12.984 6.811 -8.869 1.00 0.76 C ATOM 1371 O PHE A 106 -12.302 7.695 -9.341 1.00 0.61 O ATOM 1372 CB PHE A 106 -11.203 6.548 -7.130 1.00 0.71 C ATOM 1373 CG PHE A 106 -11.289 6.506 -5.621 1.00 0.51 C ATOM 1374 CD1 PHE A 106 -12.304 7.205 -4.956 1.00 0.52 C ATOM 1375 CD2 PHE A 106 -10.351 5.770 -4.884 1.00 0.86 C ATOM 1376 CE1 PHE A 106 -12.382 7.167 -3.558 1.00 0.59 C ATOM 1377 CE2 PHE A 106 -10.430 5.733 -3.486 1.00 0.67 C ATOM 1378 CZ PHE A 106 -11.446 6.432 -2.824 1.00 0.23 C ATOM 0 H PHE A 106 -11.180 4.426 -8.541 1.00 0.73 H new ATOM 0 HA PHE A 106 -13.229 5.846 -6.956 1.00 0.75 H new ATOM 0 HB2 PHE A 106 -10.321 6.005 -7.470 1.00 0.71 H new ATOM 0 HB3 PHE A 106 -11.094 7.578 -7.470 1.00 0.71 H new ATOM 0 HD1 PHE A 106 -13.027 7.774 -5.522 1.00 0.52 H new ATOM 0 HD2 PHE A 106 -9.567 5.231 -5.395 1.00 0.86 H new ATOM 0 HE1 PHE A 106 -13.166 7.706 -3.047 1.00 0.59 H new ATOM 0 HE2 PHE A 106 -9.707 5.165 -2.919 1.00 0.67 H new ATOM 0 HZ PHE A 106 -11.507 6.404 -1.746 1.00 0.23 H new ATOM 1388 N GLU A 107 -14.185 6.571 -9.321 1.00 1.01 N ATOM 1389 CA GLU A 107 -14.743 7.393 -10.434 1.00 1.04 C ATOM 1390 C GLU A 107 -15.207 8.754 -9.904 1.00 1.12 C ATOM 1391 O GLU A 107 -15.413 9.683 -10.660 1.00 1.19 O ATOM 1392 CB GLU A 107 -15.933 6.663 -11.055 1.00 1.14 C ATOM 1393 CG GLU A 107 -16.907 6.242 -9.953 1.00 1.82 C ATOM 1394 CD GLU A 107 -18.325 6.181 -10.521 1.00 1.85 C ATOM 1395 OE1 GLU A 107 -18.519 5.480 -11.500 1.00 2.02 O ATOM 1396 OE2 GLU A 107 -19.193 6.837 -9.969 1.00 2.01 O ATOM 0 H GLU A 107 -14.804 5.841 -8.968 1.00 1.01 H new ATOM 0 HA GLU A 107 -13.968 7.547 -11.185 1.00 1.04 H new ATOM 0 HB2 GLU A 107 -16.437 7.311 -11.772 1.00 1.14 H new ATOM 0 HB3 GLU A 107 -15.589 5.787 -11.605 1.00 1.14 H new ATOM 0 HG2 GLU A 107 -16.622 5.269 -9.553 1.00 1.82 H new ATOM 0 HG3 GLU A 107 -16.865 6.951 -9.126 1.00 1.82 H new ATOM 1403 N SER A 108 -15.370 8.883 -8.617 1.00 1.13 N ATOM 1404 CA SER A 108 -15.817 10.189 -8.051 1.00 1.20 C ATOM 1405 C SER A 108 -14.585 11.026 -7.715 1.00 1.09 C ATOM 1406 O SER A 108 -14.518 12.205 -8.006 1.00 1.15 O ATOM 1407 CB SER A 108 -16.638 9.947 -6.784 1.00 1.28 C ATOM 1408 OG SER A 108 -15.766 9.582 -5.723 1.00 2.18 O ATOM 0 H SER A 108 -15.214 8.143 -7.933 1.00 1.13 H new ATOM 0 HA SER A 108 -16.435 10.716 -8.778 1.00 1.20 H new ATOM 0 HB2 SER A 108 -17.194 10.846 -6.520 1.00 1.28 H new ATOM 0 HB3 SER A 108 -17.370 9.158 -6.956 1.00 1.28 H new ATOM 0 HG SER A 108 -16.289 9.428 -4.908 1.00 2.18 H new ATOM 1414 N SER A 109 -13.604 10.415 -7.116 1.00 0.94 N ATOM 1415 CA SER A 109 -12.358 11.151 -6.767 1.00 0.83 C ATOM 1416 C SER A 109 -11.202 10.520 -7.540 1.00 0.74 C ATOM 1417 O SER A 109 -10.117 10.338 -7.026 1.00 0.62 O ATOM 1418 CB SER A 109 -12.097 11.037 -5.265 1.00 0.71 C ATOM 1419 OG SER A 109 -11.406 12.197 -4.818 1.00 0.66 O ATOM 0 H SER A 109 -13.611 9.430 -6.851 1.00 0.94 H new ATOM 0 HA SER A 109 -12.455 12.205 -7.027 1.00 0.83 H new ATOM 0 HB2 SER A 109 -13.039 10.932 -4.728 1.00 0.71 H new ATOM 0 HB3 SER A 109 -11.508 10.145 -5.053 1.00 0.71 H new ATOM 0 HG SER A 109 -11.239 12.127 -3.855 1.00 0.66 H new ATOM 1425 N GLU A 110 -11.446 10.168 -8.775 1.00 0.79 N ATOM 1426 CA GLU A 110 -10.395 9.525 -9.607 1.00 0.70 C ATOM 1427 C GLU A 110 -9.069 10.284 -9.488 1.00 0.63 C ATOM 1428 O GLU A 110 -8.035 9.706 -9.231 1.00 0.52 O ATOM 1429 CB GLU A 110 -10.844 9.528 -11.069 1.00 0.77 C ATOM 1430 CG GLU A 110 -10.069 8.463 -11.843 1.00 0.84 C ATOM 1431 CD GLU A 110 -10.869 8.047 -13.079 1.00 1.30 C ATOM 1432 OE1 GLU A 110 -12.081 7.961 -12.973 1.00 2.25 O ATOM 1433 OE2 GLU A 110 -10.257 7.823 -14.110 1.00 0.91 O ATOM 0 H GLU A 110 -12.341 10.302 -9.245 1.00 0.79 H new ATOM 0 HA GLU A 110 -10.246 8.504 -9.257 1.00 0.70 H new ATOM 0 HB2 GLU A 110 -11.914 9.332 -11.132 1.00 0.77 H new ATOM 0 HB3 GLU A 110 -10.674 10.510 -11.511 1.00 0.77 H new ATOM 0 HG2 GLU A 110 -9.095 8.851 -12.141 1.00 0.84 H new ATOM 0 HG3 GLU A 110 -9.886 7.597 -11.207 1.00 0.84 H new ATOM 1440 N GLU A 111 -9.093 11.573 -9.689 1.00 0.73 N ATOM 1441 CA GLU A 111 -7.834 12.370 -9.605 1.00 0.71 C ATOM 1442 C GLU A 111 -7.115 12.090 -8.282 1.00 0.62 C ATOM 1443 O GLU A 111 -5.918 11.890 -8.249 1.00 0.57 O ATOM 1444 CB GLU A 111 -8.174 13.859 -9.696 1.00 0.85 C ATOM 1445 CG GLU A 111 -8.717 14.169 -11.092 1.00 1.99 C ATOM 1446 CD GLU A 111 -8.151 15.505 -11.574 1.00 1.66 C ATOM 1447 OE1 GLU A 111 -7.028 15.816 -11.214 1.00 1.61 O ATOM 1448 OE2 GLU A 111 -8.851 16.193 -12.299 1.00 2.43 O ATOM 0 H GLU A 111 -9.932 12.111 -9.908 1.00 0.73 H new ATOM 0 HA GLU A 111 -7.178 12.088 -10.428 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -8.913 14.122 -8.939 1.00 0.85 H new ATOM 0 HB3 GLU A 111 -7.286 14.459 -9.497 1.00 0.85 H new ATOM 0 HG2 GLU A 111 -8.442 13.374 -11.785 1.00 1.99 H new ATOM 0 HG3 GLU A 111 -9.806 14.210 -11.069 1.00 1.99 H new ATOM 1455 N GLN A 112 -7.829 12.079 -7.189 1.00 0.61 N ATOM 1456 CA GLN A 112 -7.172 11.815 -5.877 1.00 0.56 C ATOM 1457 C GLN A 112 -6.507 10.438 -5.909 1.00 0.38 C ATOM 1458 O GLN A 112 -5.414 10.253 -5.411 1.00 0.36 O ATOM 1459 CB GLN A 112 -8.222 11.852 -4.764 1.00 0.61 C ATOM 1460 CG GLN A 112 -8.529 13.306 -4.401 1.00 0.46 C ATOM 1461 CD GLN A 112 -7.784 13.682 -3.118 1.00 0.44 C ATOM 1462 OE1 GLN A 112 -8.274 14.457 -2.322 1.00 1.17 O ATOM 1463 NE2 GLN A 112 -6.610 13.161 -2.885 1.00 1.61 N ATOM 0 H GLN A 112 -8.835 12.241 -7.148 1.00 0.61 H new ATOM 0 HA GLN A 112 -6.417 12.578 -5.687 1.00 0.56 H new ATOM 0 HB2 GLN A 112 -9.131 11.348 -5.090 1.00 0.61 H new ATOM 0 HB3 GLN A 112 -7.857 11.316 -3.888 1.00 0.61 H new ATOM 0 HG2 GLN A 112 -8.229 13.966 -5.215 1.00 0.46 H new ATOM 0 HG3 GLN A 112 -9.602 13.438 -4.263 1.00 0.46 H new ATOM 0 HE21 GLN A 112 -6.199 12.510 -3.554 1.00 1.61 H new ATOM 0 HE22 GLN A 112 -6.104 13.405 -2.034 1.00 1.61 H new ATOM 1472 N ALA A 113 -7.157 9.473 -6.498 1.00 0.30 N ATOM 1473 CA ALA A 113 -6.563 8.106 -6.574 1.00 0.13 C ATOM 1474 C ALA A 113 -5.314 8.146 -7.457 1.00 0.17 C ATOM 1475 O ALA A 113 -4.408 7.349 -7.311 1.00 0.23 O ATOM 1476 CB ALA A 113 -7.585 7.146 -7.183 1.00 0.26 C ATOM 0 H ALA A 113 -8.075 9.571 -6.931 1.00 0.30 H new ATOM 0 HA ALA A 113 -6.292 7.766 -5.574 1.00 0.13 H new ATOM 0 HB1 ALA A 113 -7.155 6.146 -7.241 1.00 0.26 H new ATOM 0 HB2 ALA A 113 -8.478 7.122 -6.559 1.00 0.26 H new ATOM 0 HB3 ALA A 113 -7.851 7.485 -8.184 1.00 0.26 H new ATOM 1482 N ARG A 114 -5.262 9.071 -8.377 1.00 0.24 N ATOM 1483 CA ARG A 114 -4.078 9.168 -9.274 1.00 0.35 C ATOM 1484 C ARG A 114 -2.934 9.860 -8.534 1.00 0.43 C ATOM 1485 O ARG A 114 -1.775 9.671 -8.845 1.00 0.53 O ATOM 1486 CB ARG A 114 -4.446 9.985 -10.513 1.00 0.42 C ATOM 1487 CG ARG A 114 -3.501 9.623 -11.660 1.00 0.42 C ATOM 1488 CD ARG A 114 -4.301 9.488 -12.955 1.00 0.40 C ATOM 1489 NE ARG A 114 -3.361 9.418 -14.108 1.00 0.30 N ATOM 1490 CZ ARG A 114 -3.817 9.468 -15.329 1.00 0.65 C ATOM 1491 NH1 ARG A 114 -4.669 8.571 -15.744 1.00 1.62 N ATOM 1492 NH2 ARG A 114 -3.417 10.413 -16.134 1.00 1.40 N ATOM 0 H ARG A 114 -5.991 9.765 -8.545 1.00 0.24 H new ATOM 0 HA ARG A 114 -3.766 8.168 -9.574 1.00 0.35 H new ATOM 0 HB2 ARG A 114 -5.478 9.785 -10.801 1.00 0.42 H new ATOM 0 HB3 ARG A 114 -4.377 11.050 -10.293 1.00 0.42 H new ATOM 0 HG2 ARG A 114 -2.736 10.391 -11.771 1.00 0.42 H new ATOM 0 HG3 ARG A 114 -2.985 8.688 -11.439 1.00 0.42 H new ATOM 0 HD2 ARG A 114 -4.921 8.592 -12.921 1.00 0.40 H new ATOM 0 HD3 ARG A 114 -4.974 10.337 -13.071 1.00 0.40 H new ATOM 0 HE ARG A 114 -2.358 9.331 -13.942 1.00 0.30 H new ATOM 0 HH11 ARG A 114 -4.978 7.831 -15.114 1.00 1.62 H new ATOM 0 HH12 ARG A 114 -5.026 8.610 -16.699 1.00 1.62 H new ATOM 0 HH21 ARG A 114 -2.749 11.111 -15.808 1.00 1.40 H new ATOM 0 HH22 ARG A 114 -3.772 10.454 -17.089 1.00 1.40 H new ATOM 1506 N ALA A 115 -3.251 10.664 -7.558 1.00 0.42 N ATOM 1507 CA ALA A 115 -2.181 11.370 -6.801 1.00 0.49 C ATOM 1508 C ALA A 115 -1.499 10.388 -5.846 1.00 0.49 C ATOM 1509 O ALA A 115 -0.342 10.542 -5.507 1.00 0.59 O ATOM 1510 CB ALA A 115 -2.797 12.519 -6.000 1.00 0.52 C ATOM 0 H ALA A 115 -4.204 10.862 -7.252 1.00 0.42 H new ATOM 0 HA ALA A 115 -1.444 11.768 -7.498 1.00 0.49 H new ATOM 0 HB1 ALA A 115 -2.014 13.037 -5.445 1.00 0.52 H new ATOM 0 HB2 ALA A 115 -3.282 13.218 -6.681 1.00 0.52 H new ATOM 0 HB3 ALA A 115 -3.534 12.122 -5.302 1.00 0.52 H new ATOM 1516 N VAL A 116 -2.203 9.378 -5.410 1.00 0.38 N ATOM 1517 CA VAL A 116 -1.582 8.393 -4.479 1.00 0.38 C ATOM 1518 C VAL A 116 -0.935 7.265 -5.289 1.00 0.38 C ATOM 1519 O VAL A 116 -0.030 6.599 -4.829 1.00 0.31 O ATOM 1520 CB VAL A 116 -2.653 7.813 -3.545 1.00 0.34 C ATOM 1521 CG1 VAL A 116 -3.698 7.035 -4.351 1.00 0.83 C ATOM 1522 CG2 VAL A 116 -1.992 6.873 -2.537 1.00 0.40 C ATOM 0 H VAL A 116 -3.175 9.193 -5.657 1.00 0.38 H new ATOM 0 HA VAL A 116 -0.821 8.892 -3.880 1.00 0.38 H new ATOM 0 HB VAL A 116 -3.146 8.633 -3.022 1.00 0.34 H new ATOM 0 HG11 VAL A 116 -4.451 6.630 -3.675 1.00 0.83 H new ATOM 0 HG12 VAL A 116 -4.176 7.703 -5.068 1.00 0.83 H new ATOM 0 HG13 VAL A 116 -3.212 6.218 -4.884 1.00 0.83 H new ATOM 0 HG21 VAL A 116 -2.751 6.460 -1.873 1.00 0.40 H new ATOM 0 HG22 VAL A 116 -1.494 6.062 -3.068 1.00 0.40 H new ATOM 0 HG23 VAL A 116 -1.259 7.426 -1.950 1.00 0.40 H new ATOM 1532 N GLN A 117 -1.397 7.047 -6.493 1.00 0.53 N ATOM 1533 CA GLN A 117 -0.815 5.961 -7.331 1.00 0.54 C ATOM 1534 C GLN A 117 0.500 6.433 -7.959 1.00 0.52 C ATOM 1535 O GLN A 117 1.535 5.818 -7.790 1.00 0.48 O ATOM 1536 CB GLN A 117 -1.802 5.592 -8.440 1.00 0.59 C ATOM 1537 CG GLN A 117 -1.589 4.133 -8.848 1.00 0.30 C ATOM 1538 CD GLN A 117 -1.388 4.048 -10.362 1.00 0.24 C ATOM 1539 OE1 GLN A 117 -0.914 4.983 -10.976 1.00 1.02 O ATOM 1540 NE2 GLN A 117 -1.733 2.960 -10.994 1.00 1.05 N ATOM 0 H GLN A 117 -2.152 7.575 -6.931 1.00 0.53 H new ATOM 0 HA GLN A 117 -0.621 5.090 -6.705 1.00 0.54 H new ATOM 0 HB2 GLN A 117 -2.825 5.738 -8.094 1.00 0.59 H new ATOM 0 HB3 GLN A 117 -1.660 6.246 -9.300 1.00 0.59 H new ATOM 0 HG2 GLN A 117 -0.720 3.724 -8.332 1.00 0.30 H new ATOM 0 HG3 GLN A 117 -2.449 3.532 -8.551 1.00 0.30 H new ATOM 0 HE21 GLN A 117 -2.131 2.175 -10.478 1.00 1.05 H new ATOM 0 HE22 GLN A 117 -1.605 2.894 -12.004 1.00 1.05 H new ATOM 1549 N MET A 118 0.470 7.518 -8.687 1.00 0.56 N ATOM 1550 CA MET A 118 1.719 8.025 -9.331 1.00 0.54 C ATOM 1551 C MET A 118 2.844 8.102 -8.294 1.00 0.51 C ATOM 1552 O MET A 118 3.984 7.780 -8.573 1.00 0.55 O ATOM 1553 CB MET A 118 1.463 9.419 -9.908 1.00 0.56 C ATOM 1554 CG MET A 118 0.523 9.307 -11.111 1.00 0.59 C ATOM 1555 SD MET A 118 1.149 10.335 -12.465 1.00 1.14 S ATOM 1556 CE MET A 118 0.175 11.815 -12.097 1.00 1.81 C ATOM 0 H MET A 118 -0.365 8.076 -8.864 1.00 0.56 H new ATOM 0 HA MET A 118 2.013 7.345 -10.130 1.00 0.54 H new ATOM 0 HB2 MET A 118 1.023 10.064 -9.148 1.00 0.56 H new ATOM 0 HB3 MET A 118 2.404 9.878 -10.210 1.00 0.56 H new ATOM 0 HG2 MET A 118 0.449 8.268 -11.433 1.00 0.59 H new ATOM 0 HG3 MET A 118 -0.481 9.626 -10.832 1.00 0.59 H new ATOM 0 HE1 MET A 118 0.566 12.659 -12.666 1.00 1.81 H new ATOM 0 HE2 MET A 118 -0.866 11.643 -12.371 1.00 1.81 H new ATOM 0 HE3 MET A 118 0.238 12.036 -11.032 1.00 1.81 H new ATOM 1566 N SER A 119 2.532 8.521 -7.100 1.00 0.46 N ATOM 1567 CA SER A 119 3.582 8.614 -6.050 1.00 0.43 C ATOM 1568 C SER A 119 4.021 7.207 -5.639 1.00 0.43 C ATOM 1569 O SER A 119 5.197 6.909 -5.572 1.00 0.41 O ATOM 1570 CB SER A 119 3.022 9.348 -4.831 1.00 0.45 C ATOM 1571 OG SER A 119 2.514 10.613 -5.235 1.00 1.56 O ATOM 0 H SER A 119 1.597 8.803 -6.807 1.00 0.46 H new ATOM 0 HA SER A 119 4.439 9.162 -6.443 1.00 0.43 H new ATOM 0 HB2 SER A 119 2.232 8.757 -4.368 1.00 0.45 H new ATOM 0 HB3 SER A 119 3.802 9.479 -4.081 1.00 0.45 H new ATOM 0 HG SER A 119 1.539 10.561 -5.322 1.00 1.56 H new ATOM 1577 N THR A 120 3.086 6.342 -5.358 1.00 0.44 N ATOM 1578 CA THR A 120 3.450 4.957 -4.943 1.00 0.43 C ATOM 1579 C THR A 120 4.316 4.298 -6.018 1.00 0.37 C ATOM 1580 O THR A 120 5.029 3.351 -5.755 1.00 0.36 O ATOM 1581 CB THR A 120 2.176 4.140 -4.727 1.00 0.49 C ATOM 1582 OG1 THR A 120 1.352 4.235 -5.881 1.00 1.33 O ATOM 1583 CG2 THR A 120 1.426 4.686 -3.515 1.00 1.03 C ATOM 0 H THR A 120 2.085 6.534 -5.398 1.00 0.44 H new ATOM 0 HA THR A 120 4.016 4.997 -4.013 1.00 0.43 H new ATOM 0 HB THR A 120 2.435 3.096 -4.554 1.00 0.49 H new ATOM 0 HG1 THR A 120 1.786 4.808 -6.547 1.00 1.33 H new ATOM 0 HG21 THR A 120 0.517 4.106 -3.358 1.00 1.03 H new ATOM 0 HG22 THR A 120 2.060 4.613 -2.631 1.00 1.03 H new ATOM 0 HG23 THR A 120 1.165 5.730 -3.689 1.00 1.03 H new ATOM 1591 N LYS A 121 4.281 4.802 -7.222 1.00 0.36 N ATOM 1592 CA LYS A 121 5.126 4.211 -8.294 1.00 0.33 C ATOM 1593 C LYS A 121 6.513 4.832 -8.179 1.00 0.28 C ATOM 1594 O LYS A 121 7.522 4.194 -8.404 1.00 0.27 O ATOM 1595 CB LYS A 121 4.527 4.542 -9.664 1.00 0.39 C ATOM 1596 CG LYS A 121 3.555 3.435 -10.082 1.00 0.42 C ATOM 1597 CD LYS A 121 4.159 2.635 -11.240 1.00 0.37 C ATOM 1598 CE LYS A 121 5.212 1.667 -10.699 1.00 1.84 C ATOM 1599 NZ LYS A 121 6.258 1.440 -11.737 1.00 2.65 N ATOM 0 H LYS A 121 3.706 5.594 -7.507 1.00 0.36 H new ATOM 0 HA LYS A 121 5.178 3.127 -8.190 1.00 0.33 H new ATOM 0 HB2 LYS A 121 4.007 5.499 -9.623 1.00 0.39 H new ATOM 0 HB3 LYS A 121 5.321 4.641 -10.405 1.00 0.39 H new ATOM 0 HG2 LYS A 121 3.353 2.776 -9.238 1.00 0.42 H new ATOM 0 HG3 LYS A 121 2.602 3.868 -10.384 1.00 0.42 H new ATOM 0 HD2 LYS A 121 3.377 2.083 -11.761 1.00 0.37 H new ATOM 0 HD3 LYS A 121 4.610 3.311 -11.966 1.00 0.37 H new ATOM 0 HE2 LYS A 121 5.664 2.073 -9.794 1.00 1.84 H new ATOM 0 HE3 LYS A 121 4.745 0.721 -10.425 1.00 1.84 H new ATOM 0 HZ1 LYS A 121 6.974 0.782 -11.370 1.00 2.65 H new ATOM 0 HZ2 LYS A 121 5.820 1.035 -12.589 1.00 2.65 H new ATOM 0 HZ3 LYS A 121 6.710 2.345 -11.978 1.00 2.65 H new ATOM 1613 N VAL A 122 6.558 6.080 -7.809 1.00 0.33 N ATOM 1614 CA VAL A 122 7.859 6.775 -7.648 1.00 0.31 C ATOM 1615 C VAL A 122 8.662 6.096 -6.534 1.00 0.30 C ATOM 1616 O VAL A 122 9.874 6.133 -6.527 1.00 0.31 O ATOM 1617 CB VAL A 122 7.597 8.236 -7.282 1.00 0.32 C ATOM 1618 CG1 VAL A 122 8.923 8.953 -7.035 1.00 0.34 C ATOM 1619 CG2 VAL A 122 6.861 8.917 -8.435 1.00 0.35 C ATOM 0 H VAL A 122 5.738 6.653 -7.610 1.00 0.33 H new ATOM 0 HA VAL A 122 8.427 6.727 -8.577 1.00 0.31 H new ATOM 0 HB VAL A 122 6.991 8.280 -6.377 1.00 0.32 H new ATOM 0 HG11 VAL A 122 8.731 9.994 -6.775 1.00 0.34 H new ATOM 0 HG12 VAL A 122 9.453 8.466 -6.216 1.00 0.34 H new ATOM 0 HG13 VAL A 122 9.533 8.912 -7.938 1.00 0.34 H new ATOM 0 HG21 VAL A 122 6.671 9.960 -8.180 1.00 0.35 H new ATOM 0 HG22 VAL A 122 7.473 8.869 -9.336 1.00 0.35 H new ATOM 0 HG23 VAL A 122 5.913 8.409 -8.613 1.00 0.35 H new ATOM 1629 N LEU A 123 7.998 5.475 -5.593 1.00 0.30 N ATOM 1630 CA LEU A 123 8.737 4.794 -4.488 1.00 0.32 C ATOM 1631 C LEU A 123 9.187 3.410 -4.965 1.00 0.30 C ATOM 1632 O LEU A 123 10.218 2.907 -4.568 1.00 0.31 O ATOM 1633 CB LEU A 123 7.820 4.620 -3.265 1.00 0.35 C ATOM 1634 CG LEU A 123 7.641 5.948 -2.513 1.00 0.53 C ATOM 1635 CD1 LEU A 123 9.000 6.600 -2.249 1.00 0.54 C ATOM 1636 CD2 LEU A 123 6.771 6.891 -3.345 1.00 0.97 C ATOM 0 H LEU A 123 6.981 5.410 -5.542 1.00 0.30 H new ATOM 0 HA LEU A 123 9.599 5.401 -4.211 1.00 0.32 H new ATOM 0 HB2 LEU A 123 6.848 4.247 -3.586 1.00 0.35 H new ATOM 0 HB3 LEU A 123 8.242 3.873 -2.593 1.00 0.35 H new ATOM 0 HG LEU A 123 7.157 5.750 -1.557 1.00 0.53 H new ATOM 0 HD11 LEU A 123 8.855 7.540 -1.716 1.00 0.54 H new ATOM 0 HD12 LEU A 123 9.613 5.931 -1.646 1.00 0.54 H new ATOM 0 HD13 LEU A 123 9.501 6.795 -3.197 1.00 0.54 H new ATOM 0 HD21 LEU A 123 6.643 7.833 -2.812 1.00 0.97 H new ATOM 0 HD22 LEU A 123 7.253 7.079 -4.305 1.00 0.97 H new ATOM 0 HD23 LEU A 123 5.796 6.434 -3.512 1.00 0.97 H new ATOM 1648 N ILE A 124 8.410 2.796 -5.810 1.00 0.28 N ATOM 1649 CA ILE A 124 8.766 1.441 -6.322 1.00 0.27 C ATOM 1650 C ILE A 124 10.032 1.531 -7.178 1.00 0.23 C ATOM 1651 O ILE A 124 10.902 0.684 -7.104 1.00 0.25 O ATOM 1652 CB ILE A 124 7.602 0.899 -7.162 1.00 0.26 C ATOM 1653 CG1 ILE A 124 6.372 0.720 -6.269 1.00 0.61 C ATOM 1654 CG2 ILE A 124 7.975 -0.455 -7.769 1.00 0.15 C ATOM 1655 CD1 ILE A 124 5.119 0.618 -7.139 1.00 0.84 C ATOM 0 H ILE A 124 7.536 3.176 -6.172 1.00 0.28 H new ATOM 0 HA ILE A 124 8.953 0.768 -5.485 1.00 0.27 H new ATOM 0 HB ILE A 124 7.385 1.606 -7.963 1.00 0.26 H new ATOM 0 HG12 ILE A 124 6.479 -0.178 -5.661 1.00 0.61 H new ATOM 0 HG13 ILE A 124 6.283 1.562 -5.582 1.00 0.61 H new ATOM 0 HG21 ILE A 124 7.141 -0.830 -8.363 1.00 0.15 H new ATOM 0 HG22 ILE A 124 8.851 -0.339 -8.407 1.00 0.15 H new ATOM 0 HG23 ILE A 124 8.198 -1.163 -6.971 1.00 0.15 H new ATOM 0 HD11 ILE A 124 4.243 0.491 -6.502 1.00 0.84 H new ATOM 0 HD12 ILE A 124 5.010 1.529 -7.728 1.00 0.84 H new ATOM 0 HD13 ILE A 124 5.209 -0.238 -7.808 1.00 0.84 H new ATOM 1667 N GLN A 125 10.144 2.545 -7.989 1.00 0.24 N ATOM 1668 CA GLN A 125 11.348 2.681 -8.844 1.00 0.28 C ATOM 1669 C GLN A 125 12.487 3.290 -8.024 1.00 0.34 C ATOM 1670 O GLN A 125 13.611 2.833 -8.073 1.00 0.45 O ATOM 1671 CB GLN A 125 11.011 3.590 -10.022 1.00 0.29 C ATOM 1672 CG GLN A 125 10.628 2.733 -11.229 1.00 0.33 C ATOM 1673 CD GLN A 125 11.013 3.463 -12.518 1.00 0.42 C ATOM 1674 OE1 GLN A 125 10.569 4.567 -12.761 1.00 0.55 O ATOM 1675 NE2 GLN A 125 11.828 2.889 -13.360 1.00 1.01 N ATOM 0 H GLN A 125 9.450 3.285 -8.095 1.00 0.24 H new ATOM 0 HA GLN A 125 11.660 1.704 -9.213 1.00 0.28 H new ATOM 0 HB2 GLN A 125 10.189 4.256 -9.759 1.00 0.29 H new ATOM 0 HB3 GLN A 125 11.866 4.220 -10.266 1.00 0.29 H new ATOM 0 HG2 GLN A 125 11.135 1.769 -11.179 1.00 0.33 H new ATOM 0 HG3 GLN A 125 9.557 2.531 -11.219 1.00 0.33 H new ATOM 0 HE21 GLN A 125 12.201 1.962 -13.157 1.00 1.01 H new ATOM 0 HE22 GLN A 125 12.092 3.368 -14.221 1.00 1.01 H new ATOM 1684 N PHE A 126 12.206 4.312 -7.262 1.00 0.32 N ATOM 1685 CA PHE A 126 13.276 4.935 -6.432 1.00 0.37 C ATOM 1686 C PHE A 126 13.783 3.913 -5.410 1.00 0.54 C ATOM 1687 O PHE A 126 14.861 4.048 -4.868 1.00 0.88 O ATOM 1688 CB PHE A 126 12.710 6.153 -5.694 1.00 0.37 C ATOM 1689 CG PHE A 126 12.704 7.350 -6.616 1.00 0.25 C ATOM 1690 CD1 PHE A 126 12.129 7.252 -7.888 1.00 0.13 C ATOM 1691 CD2 PHE A 126 13.273 8.559 -6.196 1.00 0.36 C ATOM 1692 CE1 PHE A 126 12.123 8.363 -8.741 1.00 0.16 C ATOM 1693 CE2 PHE A 126 13.267 9.670 -7.049 1.00 0.41 C ATOM 1694 CZ PHE A 126 12.692 9.572 -8.321 1.00 0.33 C ATOM 0 H PHE A 126 11.285 4.741 -7.178 1.00 0.32 H new ATOM 0 HA PHE A 126 14.098 5.251 -7.075 1.00 0.37 H new ATOM 0 HB2 PHE A 126 11.698 5.943 -5.349 1.00 0.37 H new ATOM 0 HB3 PHE A 126 13.311 6.366 -4.810 1.00 0.37 H new ATOM 0 HD1 PHE A 126 11.690 6.320 -8.212 1.00 0.13 H new ATOM 0 HD2 PHE A 126 13.716 8.635 -5.214 1.00 0.36 H new ATOM 0 HE1 PHE A 126 11.680 8.287 -9.723 1.00 0.16 H new ATOM 0 HE2 PHE A 126 13.706 10.602 -6.725 1.00 0.41 H new ATOM 0 HZ PHE A 126 12.687 10.429 -8.979 1.00 0.33 H new ATOM 1704 N LEU A 127 13.012 2.891 -5.142 1.00 0.37 N ATOM 1705 CA LEU A 127 13.442 1.858 -4.158 1.00 0.57 C ATOM 1706 C LEU A 127 14.384 0.866 -4.842 1.00 0.56 C ATOM 1707 O LEU A 127 15.485 0.622 -4.387 1.00 0.76 O ATOM 1708 CB LEU A 127 12.209 1.111 -3.642 1.00 0.61 C ATOM 1709 CG LEU A 127 11.629 1.853 -2.438 1.00 1.18 C ATOM 1710 CD1 LEU A 127 10.237 1.306 -2.120 1.00 2.01 C ATOM 1711 CD2 LEU A 127 12.547 1.652 -1.231 1.00 1.01 C ATOM 0 H LEU A 127 12.099 2.728 -5.566 1.00 0.37 H new ATOM 0 HA LEU A 127 13.958 2.337 -3.326 1.00 0.57 H new ATOM 0 HB2 LEU A 127 11.460 1.035 -4.431 1.00 0.61 H new ATOM 0 HB3 LEU A 127 12.479 0.093 -3.360 1.00 0.61 H new ATOM 0 HG LEU A 127 11.554 2.916 -2.666 1.00 1.18 H new ATOM 0 HD11 LEU A 127 9.825 1.836 -1.261 1.00 2.01 H new ATOM 0 HD12 LEU A 127 9.585 1.448 -2.981 1.00 2.01 H new ATOM 0 HD13 LEU A 127 10.308 0.243 -1.890 1.00 2.01 H new ATOM 0 HD21 LEU A 127 12.137 2.180 -0.370 1.00 1.01 H new ATOM 0 HD22 LEU A 127 12.621 0.589 -1.003 1.00 1.01 H new ATOM 0 HD23 LEU A 127 13.538 2.044 -1.458 1.00 1.01 H new ATOM 1723 N GLN A 128 13.956 0.291 -5.932 1.00 0.45 N ATOM 1724 CA GLN A 128 14.817 -0.688 -6.653 1.00 0.61 C ATOM 1725 C GLN A 128 16.119 -0.002 -7.072 1.00 0.74 C ATOM 1726 O GLN A 128 17.145 -0.634 -7.229 1.00 0.72 O ATOM 1727 CB GLN A 128 14.080 -1.189 -7.896 1.00 0.62 C ATOM 1728 CG GLN A 128 13.639 0.003 -8.741 1.00 2.09 C ATOM 1729 CD GLN A 128 13.313 -0.471 -10.158 1.00 2.27 C ATOM 1730 OE1 GLN A 128 13.520 0.248 -11.115 1.00 3.14 O ATOM 1731 NE2 GLN A 128 12.811 -1.663 -10.335 1.00 1.55 N ATOM 0 H GLN A 128 13.043 0.458 -6.356 1.00 0.45 H new ATOM 0 HA GLN A 128 15.043 -1.531 -6.000 1.00 0.61 H new ATOM 0 HB2 GLN A 128 14.730 -1.841 -8.479 1.00 0.62 H new ATOM 0 HB3 GLN A 128 13.213 -1.782 -7.604 1.00 0.62 H new ATOM 0 HG2 GLN A 128 12.765 0.476 -8.294 1.00 2.09 H new ATOM 0 HG3 GLN A 128 14.428 0.754 -8.770 1.00 2.09 H new ATOM 0 HE21 GLN A 128 12.637 -2.267 -9.532 1.00 1.55 H new ATOM 0 HE22 GLN A 128 12.593 -1.990 -11.276 1.00 1.55 H new ATOM 1740 N LYS A 129 16.083 1.291 -7.251 1.00 0.91 N ATOM 1741 CA LYS A 129 17.312 2.026 -7.658 1.00 1.09 C ATOM 1742 C LYS A 129 18.073 2.459 -6.404 1.00 1.21 C ATOM 1743 O LYS A 129 19.284 2.565 -6.402 1.00 1.42 O ATOM 1744 CB LYS A 129 16.922 3.261 -8.472 1.00 1.12 C ATOM 1745 CG LYS A 129 16.842 2.889 -9.955 1.00 0.63 C ATOM 1746 CD LYS A 129 15.500 3.349 -10.530 1.00 0.48 C ATOM 1747 CE LYS A 129 15.742 4.436 -11.581 1.00 0.61 C ATOM 1748 NZ LYS A 129 15.469 5.779 -10.992 1.00 1.92 N ATOM 0 H LYS A 129 15.252 1.870 -7.132 1.00 0.91 H new ATOM 0 HA LYS A 129 17.944 1.379 -8.266 1.00 1.09 H new ATOM 0 HB2 LYS A 129 15.962 3.647 -8.130 1.00 1.12 H new ATOM 0 HB3 LYS A 129 17.655 4.054 -8.324 1.00 1.12 H new ATOM 0 HG2 LYS A 129 17.662 3.355 -10.502 1.00 0.63 H new ATOM 0 HG3 LYS A 129 16.950 1.811 -10.076 1.00 0.63 H new ATOM 0 HD2 LYS A 129 14.975 2.505 -10.978 1.00 0.48 H new ATOM 0 HD3 LYS A 129 14.863 3.734 -9.733 1.00 0.48 H new ATOM 0 HE2 LYS A 129 16.771 4.387 -11.937 1.00 0.61 H new ATOM 0 HE3 LYS A 129 15.098 4.270 -12.444 1.00 0.61 H new ATOM 0 HZ1 LYS A 129 15.635 6.513 -11.710 1.00 1.92 H new ATOM 0 HZ2 LYS A 129 14.480 5.824 -10.673 1.00 1.92 H new ATOM 0 HZ3 LYS A 129 16.101 5.938 -10.182 1.00 1.92 H new ATOM 1762 N LYS A 130 17.368 2.703 -5.333 1.00 1.23 N ATOM 1763 CA LYS A 130 18.045 3.120 -4.074 1.00 1.40 C ATOM 1764 C LYS A 130 18.511 1.883 -3.306 1.00 1.04 C ATOM 1765 O LYS A 130 19.050 1.985 -2.223 1.00 1.02 O ATOM 1766 CB LYS A 130 17.071 3.920 -3.206 1.00 1.80 C ATOM 1767 CG LYS A 130 17.783 4.391 -1.934 1.00 1.89 C ATOM 1768 CD LYS A 130 17.227 3.635 -0.724 1.00 2.17 C ATOM 1769 CE LYS A 130 18.382 3.154 0.157 1.00 2.20 C ATOM 1770 NZ LYS A 130 18.324 1.670 0.288 1.00 2.34 N ATOM 0 H LYS A 130 16.352 2.631 -5.276 1.00 1.23 H new ATOM 0 HA LYS A 130 18.907 3.741 -4.320 1.00 1.40 H new ATOM 0 HB2 LYS A 130 16.693 4.778 -3.762 1.00 1.80 H new ATOM 0 HB3 LYS A 130 16.210 3.304 -2.946 1.00 1.80 H new ATOM 0 HG2 LYS A 130 18.856 4.220 -2.021 1.00 1.89 H new ATOM 0 HG3 LYS A 130 17.641 5.464 -1.802 1.00 1.89 H new ATOM 0 HD2 LYS A 130 16.565 4.283 -0.150 1.00 2.17 H new ATOM 0 HD3 LYS A 130 16.631 2.785 -1.056 1.00 2.17 H new ATOM 0 HE2 LYS A 130 19.335 3.454 -0.279 1.00 2.20 H new ATOM 0 HE3 LYS A 130 18.321 3.619 1.141 1.00 2.20 H new ATOM 0 HZ1 LYS A 130 19.034 1.355 0.979 1.00 2.34 H new ATOM 0 HZ2 LYS A 130 17.377 1.387 0.611 1.00 2.34 H new ATOM 0 HZ3 LYS A 130 18.521 1.232 -0.635 1.00 2.34 H new ATOM 1784 N ALA A 131 18.317 0.710 -3.853 1.00 0.82 N ATOM 1785 CA ALA A 131 18.764 -0.517 -3.142 1.00 0.64 C ATOM 1786 C ALA A 131 20.225 -0.815 -3.496 1.00 0.44 C ATOM 1787 O ALA A 131 20.594 -1.951 -3.717 1.00 0.59 O ATOM 1788 CB ALA A 131 17.890 -1.700 -3.563 1.00 0.59 C ATOM 0 H ALA A 131 17.870 0.553 -4.757 1.00 0.82 H new ATOM 0 HA ALA A 131 18.675 -0.361 -2.067 1.00 0.64 H new ATOM 0 HB1 ALA A 131 18.218 -2.599 -3.041 1.00 0.59 H new ATOM 0 HB2 ALA A 131 16.850 -1.493 -3.309 1.00 0.59 H new ATOM 0 HB3 ALA A 131 17.978 -1.852 -4.639 1.00 0.59 H new ATOM 1794 N LYS A 132 21.068 0.189 -3.547 1.00 0.47 N ATOM 1795 CA LYS A 132 22.500 -0.063 -3.880 1.00 0.56 C ATOM 1796 C LYS A 132 23.048 -1.138 -2.941 1.00 0.77 C ATOM 1797 O LYS A 132 22.667 -1.219 -1.791 1.00 0.82 O ATOM 1798 CB LYS A 132 23.304 1.228 -3.709 1.00 0.66 C ATOM 1799 CG LYS A 132 23.187 1.718 -2.265 1.00 0.75 C ATOM 1800 CD LYS A 132 23.130 3.248 -2.252 1.00 1.52 C ATOM 1801 CE LYS A 132 22.610 3.734 -0.898 1.00 1.93 C ATOM 1802 NZ LYS A 132 22.221 5.170 -1.001 1.00 3.01 N ATOM 0 H LYS A 132 20.826 1.164 -3.373 1.00 0.47 H new ATOM 0 HA LYS A 132 22.583 -0.400 -4.913 1.00 0.56 H new ATOM 0 HB2 LYS A 132 24.350 1.053 -3.961 1.00 0.66 H new ATOM 0 HB3 LYS A 132 22.935 1.992 -4.394 1.00 0.66 H new ATOM 0 HG2 LYS A 132 22.291 1.305 -1.800 1.00 0.75 H new ATOM 0 HG3 LYS A 132 24.039 1.370 -1.681 1.00 0.75 H new ATOM 0 HD2 LYS A 132 24.121 3.660 -2.441 1.00 1.52 H new ATOM 0 HD3 LYS A 132 22.480 3.604 -3.051 1.00 1.52 H new ATOM 0 HE2 LYS A 132 21.753 3.135 -0.589 1.00 1.93 H new ATOM 0 HE3 LYS A 132 23.378 3.608 -0.135 1.00 1.93 H new ATOM 0 HZ1 LYS A 132 21.867 5.501 -0.081 1.00 3.01 H new ATOM 0 HZ2 LYS A 132 23.049 5.735 -1.277 1.00 3.01 H new ATOM 0 HZ3 LYS A 132 21.475 5.277 -1.717 1.00 3.01 H new ATOM 1816 N ASN A 133 23.925 -1.976 -3.421 1.00 0.98 N ATOM 1817 CA ASN A 133 24.467 -3.052 -2.545 1.00 1.23 C ATOM 1818 C ASN A 133 23.297 -3.884 -2.025 1.00 1.22 C ATOM 1819 O ASN A 133 23.242 -4.255 -0.870 1.00 1.39 O ATOM 1820 CB ASN A 133 25.220 -2.429 -1.368 1.00 1.35 C ATOM 1821 CG ASN A 133 26.512 -3.208 -1.115 1.00 1.54 C ATOM 1822 OD1 ASN A 133 27.326 -3.362 -2.004 1.00 2.44 O ATOM 1823 ND2 ASN A 133 26.737 -3.708 0.069 1.00 1.00 N ATOM 0 H ASN A 133 24.287 -1.963 -4.374 1.00 0.98 H new ATOM 0 HA ASN A 133 25.155 -3.683 -3.108 1.00 1.23 H new ATOM 0 HB2 ASN A 133 25.449 -1.385 -1.581 1.00 1.35 H new ATOM 0 HB3 ASN A 133 24.595 -2.442 -0.475 1.00 1.35 H new ATOM 0 HD21 ASN A 133 27.596 -4.228 0.248 1.00 1.00 H new ATOM 0 HD22 ASN A 133 26.054 -3.579 0.815 1.00 1.00 H new ATOM 1830 N LEU A 134 22.357 -4.163 -2.880 1.00 1.07 N ATOM 1831 CA LEU A 134 21.171 -4.957 -2.467 1.00 1.13 C ATOM 1832 C LEU A 134 20.569 -5.647 -3.688 1.00 1.02 C ATOM 1833 O LEU A 134 21.209 -5.795 -4.710 1.00 0.98 O ATOM 1834 CB LEU A 134 20.128 -4.024 -1.841 1.00 1.02 C ATOM 1835 CG LEU A 134 19.770 -4.521 -0.438 1.00 1.27 C ATOM 1836 CD1 LEU A 134 19.826 -3.353 0.548 1.00 1.27 C ATOM 1837 CD2 LEU A 134 18.358 -5.109 -0.449 1.00 1.14 C ATOM 0 H LEU A 134 22.360 -3.872 -3.858 1.00 1.07 H new ATOM 0 HA LEU A 134 21.472 -5.709 -1.738 1.00 1.13 H new ATOM 0 HB2 LEU A 134 20.519 -3.008 -1.789 1.00 1.02 H new ATOM 0 HB3 LEU A 134 19.235 -3.990 -2.465 1.00 1.02 H new ATOM 0 HG LEU A 134 20.482 -5.288 -0.134 1.00 1.27 H new ATOM 0 HD11 LEU A 134 19.571 -3.707 1.547 1.00 1.27 H new ATOM 0 HD12 LEU A 134 20.832 -2.933 0.558 1.00 1.27 H new ATOM 0 HD13 LEU A 134 19.115 -2.585 0.243 1.00 1.27 H new ATOM 0 HD21 LEU A 134 18.103 -5.463 0.550 1.00 1.14 H new ATOM 0 HD22 LEU A 134 17.647 -4.342 -0.754 1.00 1.14 H new ATOM 0 HD23 LEU A 134 18.316 -5.942 -1.151 1.00 1.14 H new ATOM 1849 N ASP A 135 19.346 -6.071 -3.584 1.00 1.01 N ATOM 1850 CA ASP A 135 18.693 -6.758 -4.731 1.00 0.93 C ATOM 1851 C ASP A 135 17.564 -5.887 -5.277 1.00 0.92 C ATOM 1852 O ASP A 135 17.359 -4.769 -4.847 1.00 2.15 O ATOM 1853 CB ASP A 135 18.118 -8.096 -4.259 1.00 1.25 C ATOM 1854 CG ASP A 135 19.010 -9.238 -4.749 1.00 1.81 C ATOM 1855 OD1 ASP A 135 19.527 -9.131 -5.848 1.00 1.85 O ATOM 1856 OD2 ASP A 135 19.160 -10.202 -4.014 1.00 2.51 O ATOM 0 H ASP A 135 18.766 -5.972 -2.751 1.00 1.01 H new ATOM 0 HA ASP A 135 19.429 -6.930 -5.516 1.00 0.93 H new ATOM 0 HB2 ASP A 135 18.054 -8.112 -3.171 1.00 1.25 H new ATOM 0 HB3 ASP A 135 17.105 -8.223 -4.640 1.00 1.25 H new ATOM 1861 N ALA A 136 16.814 -6.403 -6.209 1.00 0.92 N ATOM 1862 CA ALA A 136 15.683 -5.640 -6.772 1.00 1.27 C ATOM 1863 C ALA A 136 14.384 -6.302 -6.335 1.00 1.08 C ATOM 1864 O ALA A 136 13.319 -5.726 -6.427 1.00 1.57 O ATOM 1865 CB ALA A 136 15.771 -5.614 -8.299 1.00 1.94 C ATOM 0 H ALA A 136 16.944 -7.334 -6.605 1.00 0.92 H new ATOM 0 HA ALA A 136 15.716 -4.612 -6.410 1.00 1.27 H new ATOM 0 HB1 ALA A 136 14.931 -5.048 -8.702 1.00 1.94 H new ATOM 0 HB2 ALA A 136 16.706 -5.142 -8.602 1.00 1.94 H new ATOM 0 HB3 ALA A 136 15.739 -6.634 -8.683 1.00 1.94 H new ATOM 1871 N ILE A 137 14.478 -7.506 -5.834 1.00 0.75 N ATOM 1872 CA ILE A 137 13.295 -8.233 -5.338 1.00 0.65 C ATOM 1873 C ILE A 137 12.296 -8.569 -6.450 1.00 0.81 C ATOM 1874 O ILE A 137 11.307 -9.228 -6.195 1.00 0.45 O ATOM 1875 CB ILE A 137 12.656 -7.386 -4.234 1.00 0.43 C ATOM 1876 CG1 ILE A 137 13.547 -7.464 -2.993 1.00 0.83 C ATOM 1877 CG2 ILE A 137 11.258 -7.902 -3.900 1.00 0.49 C ATOM 1878 CD1 ILE A 137 14.837 -6.674 -3.232 1.00 0.72 C ATOM 0 H ILE A 137 15.354 -8.021 -5.750 1.00 0.75 H new ATOM 0 HA ILE A 137 13.607 -9.199 -4.940 1.00 0.65 H new ATOM 0 HB ILE A 137 12.564 -6.354 -4.572 1.00 0.43 H new ATOM 0 HG12 ILE A 137 13.018 -7.063 -2.128 1.00 0.83 H new ATOM 0 HG13 ILE A 137 13.783 -8.504 -2.768 1.00 0.83 H new ATOM 0 HG21 ILE A 137 10.821 -7.287 -3.113 1.00 0.49 H new ATOM 0 HG22 ILE A 137 10.630 -7.853 -4.790 1.00 0.49 H new ATOM 0 HG23 ILE A 137 11.323 -8.935 -3.558 1.00 0.49 H new ATOM 0 HD11 ILE A 137 15.469 -6.732 -2.346 1.00 0.72 H new ATOM 0 HD12 ILE A 137 15.369 -7.095 -4.085 1.00 0.72 H new ATOM 0 HD13 ILE A 137 14.593 -5.631 -3.436 1.00 0.72 H new ATOM 1890 N THR A 138 12.537 -8.165 -7.670 1.00 1.55 N ATOM 1891 CA THR A 138 11.586 -8.497 -8.772 1.00 1.90 C ATOM 1892 C THR A 138 10.134 -8.313 -8.297 1.00 1.22 C ATOM 1893 O THR A 138 9.858 -7.523 -7.417 1.00 0.79 O ATOM 1894 CB THR A 138 11.811 -9.947 -9.207 1.00 2.60 C ATOM 1895 OG1 THR A 138 13.070 -10.397 -8.723 1.00 3.02 O ATOM 1896 CG2 THR A 138 11.790 -10.027 -10.734 1.00 3.32 C ATOM 0 H THR A 138 13.352 -7.619 -7.951 1.00 1.55 H new ATOM 0 HA THR A 138 11.762 -7.828 -9.614 1.00 1.90 H new ATOM 0 HB THR A 138 11.021 -10.578 -8.799 1.00 2.60 H new ATOM 0 HG1 THR A 138 13.214 -11.326 -9.000 1.00 3.02 H new ATOM 0 HG21 THR A 138 11.950 -11.059 -11.047 1.00 3.32 H new ATOM 0 HG22 THR A 138 10.824 -9.682 -11.103 1.00 3.32 H new ATOM 0 HG23 THR A 138 12.581 -9.397 -11.142 1.00 3.32 H new ATOM 1904 N THR A 139 9.216 -9.050 -8.852 1.00 1.13 N ATOM 1905 CA THR A 139 7.802 -8.930 -8.410 1.00 0.50 C ATOM 1906 C THR A 139 7.179 -10.334 -8.371 1.00 0.66 C ATOM 1907 O THR A 139 6.672 -10.809 -9.367 1.00 0.26 O ATOM 1908 CB THR A 139 7.041 -8.037 -9.387 1.00 0.59 C ATOM 1909 OG1 THR A 139 5.679 -7.957 -8.991 1.00 0.98 O ATOM 1910 CG2 THR A 139 7.134 -8.616 -10.798 1.00 0.54 C ATOM 0 H THR A 139 9.384 -9.731 -9.593 1.00 1.13 H new ATOM 0 HA THR A 139 7.750 -8.484 -7.417 1.00 0.50 H new ATOM 0 HB THR A 139 7.480 -7.039 -9.382 1.00 0.59 H new ATOM 0 HG1 THR A 139 5.190 -7.383 -9.616 1.00 0.98 H new ATOM 0 HG21 THR A 139 6.589 -7.975 -11.491 1.00 0.54 H new ATOM 0 HG22 THR A 139 8.180 -8.671 -11.100 1.00 0.54 H new ATOM 0 HG23 THR A 139 6.699 -9.616 -10.811 1.00 0.54 H new ATOM 1958 N THR A 143 1.157 -13.044 -11.839 1.00 2.50 N ATOM 1959 CA THR A 143 -0.034 -13.688 -12.454 1.00 2.20 C ATOM 1960 C THR A 143 -0.996 -14.089 -11.344 1.00 2.02 C ATOM 1961 O THR A 143 -2.200 -14.041 -11.505 1.00 1.77 O ATOM 1962 CB THR A 143 0.403 -14.924 -13.239 1.00 2.26 C ATOM 1963 OG1 THR A 143 0.865 -15.920 -12.337 1.00 2.80 O ATOM 1964 CG2 THR A 143 1.530 -14.536 -14.196 1.00 2.24 C ATOM 0 HA THR A 143 -0.527 -12.995 -13.136 1.00 2.20 H new ATOM 0 HB THR A 143 -0.441 -15.317 -13.807 1.00 2.26 H new ATOM 0 HG1 THR A 143 1.144 -16.713 -12.840 1.00 2.80 H new ATOM 0 HG21 THR A 143 1.847 -15.413 -14.760 1.00 2.24 H new ATOM 0 HG22 THR A 143 1.174 -13.771 -14.886 1.00 2.24 H new ATOM 0 HG23 THR A 143 2.374 -14.147 -13.626 1.00 2.24 H new ATOM 1972 N THR A 144 -0.479 -14.459 -10.205 1.00 2.16 N ATOM 1973 CA THR A 144 -1.376 -14.825 -9.082 1.00 2.03 C ATOM 1974 C THR A 144 -2.068 -13.547 -8.612 1.00 1.82 C ATOM 1975 O THR A 144 -3.191 -13.567 -8.156 1.00 1.66 O ATOM 1976 CB THR A 144 -0.558 -15.432 -7.943 1.00 2.28 C ATOM 1977 OG1 THR A 144 0.077 -16.618 -8.400 1.00 2.74 O ATOM 1978 CG2 THR A 144 -1.476 -15.763 -6.766 1.00 2.28 C ATOM 0 H THR A 144 0.520 -14.522 -10.007 1.00 2.16 H new ATOM 0 HA THR A 144 -2.114 -15.562 -9.400 1.00 2.03 H new ATOM 0 HB THR A 144 0.196 -14.716 -7.617 1.00 2.28 H new ATOM 0 HG1 THR A 144 0.604 -17.008 -7.672 1.00 2.74 H new ATOM 0 HG21 THR A 144 -0.888 -16.196 -5.956 1.00 2.28 H new ATOM 0 HG22 THR A 144 -1.961 -14.852 -6.416 1.00 2.28 H new ATOM 0 HG23 THR A 144 -2.234 -16.478 -7.086 1.00 2.28 H new ATOM 1986 N ASN A 145 -1.402 -12.427 -8.754 1.00 1.81 N ATOM 1987 CA ASN A 145 -2.011 -11.126 -8.355 1.00 1.59 C ATOM 1988 C ASN A 145 -3.187 -10.831 -9.286 1.00 1.42 C ATOM 1989 O ASN A 145 -4.079 -10.081 -8.952 1.00 1.25 O ATOM 1990 CB ASN A 145 -0.969 -10.013 -8.476 1.00 1.63 C ATOM 1991 CG ASN A 145 -0.792 -9.338 -7.114 1.00 1.55 C ATOM 1992 OD1 ASN A 145 0.311 -9.010 -6.725 1.00 1.70 O ATOM 1993 ND2 ASN A 145 -1.842 -9.117 -6.368 1.00 1.33 N ATOM 0 H ASN A 145 -0.457 -12.361 -9.132 1.00 1.81 H new ATOM 0 HA ASN A 145 -2.357 -11.178 -7.323 1.00 1.59 H new ATOM 0 HB2 ASN A 145 -0.019 -10.424 -8.818 1.00 1.63 H new ATOM 0 HB3 ASN A 145 -1.286 -9.281 -9.219 1.00 1.63 H new ATOM 0 HD21 ASN A 145 -1.736 -8.669 -5.458 1.00 1.33 H new ATOM 0 HD22 ASN A 145 -2.768 -9.393 -6.696 1.00 1.33 H new ATOM 2000 N ALA A 146 -3.199 -11.429 -10.448 1.00 1.48 N ATOM 2001 CA ALA A 146 -4.326 -11.204 -11.392 1.00 1.33 C ATOM 2002 C ALA A 146 -5.559 -11.906 -10.829 1.00 1.19 C ATOM 2003 O ALA A 146 -6.679 -11.469 -11.012 1.00 1.01 O ATOM 2004 CB ALA A 146 -3.971 -11.790 -12.762 1.00 1.48 C ATOM 0 H ALA A 146 -2.474 -12.064 -10.782 1.00 1.48 H new ATOM 0 HA ALA A 146 -4.521 -10.138 -11.509 1.00 1.33 H new ATOM 0 HB1 ALA A 146 -4.797 -11.625 -13.454 1.00 1.48 H new ATOM 0 HB2 ALA A 146 -3.074 -11.303 -13.145 1.00 1.48 H new ATOM 0 HB3 ALA A 146 -3.788 -12.860 -12.664 1.00 1.48 H new ATOM 2010 N SER A 147 -5.354 -12.987 -10.127 1.00 1.28 N ATOM 2011 CA SER A 147 -6.503 -13.715 -9.529 1.00 1.20 C ATOM 2012 C SER A 147 -6.862 -13.049 -8.200 1.00 1.17 C ATOM 2013 O SER A 147 -8.001 -13.052 -7.778 1.00 1.17 O ATOM 2014 CB SER A 147 -6.124 -15.178 -9.291 1.00 1.30 C ATOM 2015 OG SER A 147 -6.964 -16.015 -10.076 1.00 0.82 O ATOM 0 H SER A 147 -4.438 -13.396 -9.943 1.00 1.28 H new ATOM 0 HA SER A 147 -7.357 -13.682 -10.205 1.00 1.20 H new ATOM 0 HB2 SER A 147 -5.079 -15.342 -9.554 1.00 1.30 H new ATOM 0 HB3 SER A 147 -6.229 -15.426 -8.235 1.00 1.30 H new ATOM 0 HG SER A 147 -6.722 -16.953 -9.927 1.00 0.82 H new ATOM 2021 N LEU A 148 -5.903 -12.454 -7.545 1.00 1.13 N ATOM 2022 CA LEU A 148 -6.209 -11.763 -6.265 1.00 1.09 C ATOM 2023 C LEU A 148 -7.036 -10.529 -6.609 1.00 1.00 C ATOM 2024 O LEU A 148 -7.880 -10.106 -5.854 1.00 1.06 O ATOM 2025 CB LEU A 148 -4.904 -11.354 -5.558 1.00 1.17 C ATOM 2026 CG LEU A 148 -5.168 -10.197 -4.580 1.00 1.01 C ATOM 2027 CD1 LEU A 148 -6.268 -10.585 -3.590 1.00 1.00 C ATOM 2028 CD2 LEU A 148 -3.895 -9.872 -3.814 1.00 1.07 C ATOM 0 H LEU A 148 -4.927 -12.417 -7.840 1.00 1.13 H new ATOM 0 HA LEU A 148 -6.759 -12.419 -5.590 1.00 1.09 H new ATOM 0 HB2 LEU A 148 -4.491 -12.207 -5.020 1.00 1.17 H new ATOM 0 HB3 LEU A 148 -4.161 -11.053 -6.297 1.00 1.17 H new ATOM 0 HG LEU A 148 -5.488 -9.323 -5.148 1.00 1.01 H new ATOM 0 HD11 LEU A 148 -6.447 -9.758 -2.902 1.00 1.00 H new ATOM 0 HD12 LEU A 148 -7.185 -10.809 -4.135 1.00 1.00 H new ATOM 0 HD13 LEU A 148 -5.957 -11.465 -3.027 1.00 1.00 H new ATOM 0 HD21 LEU A 148 -4.086 -9.052 -3.122 1.00 1.07 H new ATOM 0 HD22 LEU A 148 -3.572 -10.750 -3.255 1.00 1.07 H new ATOM 0 HD23 LEU A 148 -3.113 -9.581 -4.515 1.00 1.07 H new ATOM 2040 N LEU A 149 -6.798 -9.958 -7.753 1.00 0.92 N ATOM 2041 CA LEU A 149 -7.575 -8.767 -8.160 1.00 0.83 C ATOM 2042 C LEU A 149 -8.945 -9.253 -8.609 1.00 0.86 C ATOM 2043 O LEU A 149 -9.962 -8.652 -8.327 1.00 0.84 O ATOM 2044 CB LEU A 149 -6.862 -8.064 -9.319 1.00 0.86 C ATOM 2045 CG LEU A 149 -7.721 -6.906 -9.826 1.00 0.78 C ATOM 2046 CD1 LEU A 149 -7.985 -5.932 -8.679 1.00 0.58 C ATOM 2047 CD2 LEU A 149 -6.982 -6.180 -10.952 1.00 0.83 C ATOM 0 H LEU A 149 -6.095 -10.269 -8.424 1.00 0.92 H new ATOM 0 HA LEU A 149 -7.671 -8.060 -7.336 1.00 0.83 H new ATOM 0 HB2 LEU A 149 -5.892 -7.693 -8.990 1.00 0.86 H new ATOM 0 HB3 LEU A 149 -6.675 -8.772 -10.127 1.00 0.86 H new ATOM 0 HG LEU A 149 -8.669 -7.291 -10.203 1.00 0.78 H new ATOM 0 HD11 LEU A 149 -8.598 -5.105 -9.038 1.00 0.58 H new ATOM 0 HD12 LEU A 149 -8.509 -6.450 -7.875 1.00 0.58 H new ATOM 0 HD13 LEU A 149 -7.037 -5.546 -8.304 1.00 0.58 H new ATOM 0 HD21 LEU A 149 -7.593 -5.354 -11.315 1.00 0.83 H new ATOM 0 HD22 LEU A 149 -6.035 -5.793 -10.575 1.00 0.83 H new ATOM 0 HD23 LEU A 149 -6.790 -6.876 -11.769 1.00 0.83 H new ATOM 2059 N THR A 150 -8.972 -10.366 -9.287 1.00 0.91 N ATOM 2060 CA THR A 150 -10.263 -10.935 -9.739 1.00 0.95 C ATOM 2061 C THR A 150 -10.987 -11.536 -8.516 1.00 0.99 C ATOM 2062 O THR A 150 -12.133 -11.933 -8.594 1.00 1.10 O ATOM 2063 CB THR A 150 -9.987 -11.997 -10.834 1.00 0.88 C ATOM 2064 OG1 THR A 150 -11.042 -11.977 -11.783 1.00 1.04 O ATOM 2065 CG2 THR A 150 -9.863 -13.414 -10.254 1.00 1.15 C ATOM 0 H THR A 150 -8.147 -10.907 -9.547 1.00 0.91 H new ATOM 0 HA THR A 150 -10.906 -10.169 -10.173 1.00 0.95 H new ATOM 0 HB THR A 150 -9.036 -11.745 -11.304 1.00 0.88 H new ATOM 0 HG1 THR A 150 -10.870 -12.646 -12.478 1.00 1.04 H new ATOM 0 HG21 THR A 150 -9.670 -14.122 -11.060 1.00 1.15 H new ATOM 0 HG22 THR A 150 -9.040 -13.444 -9.540 1.00 1.15 H new ATOM 0 HG23 THR A 150 -10.791 -13.683 -9.750 1.00 1.15 H new ATOM 2073 N LYS A 151 -10.315 -11.605 -7.388 1.00 0.96 N ATOM 2074 CA LYS A 151 -10.945 -12.175 -6.167 1.00 0.98 C ATOM 2075 C LYS A 151 -11.522 -11.045 -5.311 1.00 1.00 C ATOM 2076 O LYS A 151 -12.599 -11.165 -4.761 1.00 0.99 O ATOM 2077 CB LYS A 151 -9.893 -12.938 -5.361 1.00 0.96 C ATOM 2078 CG LYS A 151 -10.568 -13.663 -4.196 1.00 1.00 C ATOM 2079 CD LYS A 151 -9.524 -14.005 -3.132 1.00 1.10 C ATOM 2080 CE LYS A 151 -9.159 -12.742 -2.350 1.00 0.95 C ATOM 2081 NZ LYS A 151 -10.269 -12.400 -1.416 1.00 1.17 N ATOM 0 H LYS A 151 -9.353 -11.288 -7.268 1.00 0.96 H new ATOM 0 HA LYS A 151 -11.747 -12.854 -6.457 1.00 0.98 H new ATOM 0 HB2 LYS A 151 -9.380 -13.656 -6.001 1.00 0.96 H new ATOM 0 HB3 LYS A 151 -9.137 -12.248 -4.985 1.00 0.96 H new ATOM 0 HG2 LYS A 151 -11.348 -13.035 -3.766 1.00 1.00 H new ATOM 0 HG3 LYS A 151 -11.051 -14.573 -4.552 1.00 1.00 H new ATOM 0 HD2 LYS A 151 -9.915 -14.764 -2.455 1.00 1.10 H new ATOM 0 HD3 LYS A 151 -8.634 -14.424 -3.602 1.00 1.10 H new ATOM 0 HE2 LYS A 151 -8.236 -12.900 -1.793 1.00 0.95 H new ATOM 0 HE3 LYS A 151 -8.979 -11.915 -3.037 1.00 0.95 H new ATOM 0 HZ1 LYS A 151 -9.915 -11.763 -0.674 1.00 1.17 H new ATOM 0 HZ2 LYS A 151 -11.032 -11.928 -1.942 1.00 1.17 H new ATOM 0 HZ3 LYS A 151 -10.636 -13.270 -0.980 1.00 1.17 H new ATOM 2095 N LEU A 152 -10.828 -9.938 -5.200 1.00 1.03 N ATOM 2096 CA LEU A 152 -11.371 -8.816 -4.390 1.00 1.05 C ATOM 2097 C LEU A 152 -12.550 -8.229 -5.154 1.00 0.97 C ATOM 2098 O LEU A 152 -13.533 -7.801 -4.579 1.00 0.92 O ATOM 2099 CB LEU A 152 -10.317 -7.717 -4.186 1.00 1.16 C ATOM 2100 CG LEU A 152 -8.946 -8.320 -3.865 1.00 1.43 C ATOM 2101 CD1 LEU A 152 -7.873 -7.579 -4.666 1.00 1.14 C ATOM 2102 CD2 LEU A 152 -8.645 -8.162 -2.376 1.00 1.56 C ATOM 0 H LEU A 152 -9.920 -9.769 -5.632 1.00 1.03 H new ATOM 0 HA LEU A 152 -11.668 -9.187 -3.409 1.00 1.05 H new ATOM 0 HB2 LEU A 152 -10.247 -7.105 -5.085 1.00 1.16 H new ATOM 0 HB3 LEU A 152 -10.627 -7.058 -3.375 1.00 1.16 H new ATOM 0 HG LEU A 152 -8.949 -9.378 -4.126 1.00 1.43 H new ATOM 0 HD11 LEU A 152 -6.894 -8.003 -4.442 1.00 1.14 H new ATOM 0 HD12 LEU A 152 -8.078 -7.682 -5.732 1.00 1.14 H new ATOM 0 HD13 LEU A 152 -7.881 -6.523 -4.395 1.00 1.14 H new ATOM 0 HD21 LEU A 152 -7.669 -8.593 -2.154 1.00 1.56 H new ATOM 0 HD22 LEU A 152 -8.642 -7.104 -2.116 1.00 1.56 H new ATOM 0 HD23 LEU A 152 -9.409 -8.677 -1.794 1.00 1.56 H new ATOM 2114 N GLN A 153 -12.453 -8.206 -6.455 1.00 0.96 N ATOM 2115 CA GLN A 153 -13.556 -7.646 -7.275 1.00 0.90 C ATOM 2116 C GLN A 153 -14.671 -8.685 -7.419 1.00 0.85 C ATOM 2117 O GLN A 153 -15.831 -8.350 -7.564 1.00 0.93 O ATOM 2118 CB GLN A 153 -13.027 -7.276 -8.663 1.00 0.92 C ATOM 2119 CG GLN A 153 -12.411 -5.876 -8.623 1.00 0.95 C ATOM 2120 CD GLN A 153 -12.983 -5.035 -9.765 1.00 0.87 C ATOM 2121 OE1 GLN A 153 -14.114 -5.222 -10.166 1.00 0.91 O ATOM 2122 NE2 GLN A 153 -12.243 -4.108 -10.310 1.00 1.14 N ATOM 0 H GLN A 153 -11.653 -8.553 -6.984 1.00 0.96 H new ATOM 0 HA GLN A 153 -13.950 -6.756 -6.785 1.00 0.90 H new ATOM 0 HB2 GLN A 153 -12.281 -8.003 -8.984 1.00 0.92 H new ATOM 0 HB3 GLN A 153 -13.837 -7.307 -9.392 1.00 0.92 H new ATOM 0 HG2 GLN A 153 -12.623 -5.401 -7.665 1.00 0.95 H new ATOM 0 HG3 GLN A 153 -11.327 -5.941 -8.713 1.00 0.95 H new ATOM 0 HE21 GLN A 153 -11.293 -3.950 -9.974 1.00 1.14 H new ATOM 0 HE22 GLN A 153 -12.615 -3.541 -11.072 1.00 1.14 H new ATOM 2131 N ALA A 154 -14.329 -9.945 -7.385 1.00 0.73 N ATOM 2132 CA ALA A 154 -15.369 -11.004 -7.528 1.00 0.68 C ATOM 2133 C ALA A 154 -16.326 -10.966 -6.338 1.00 0.55 C ATOM 2134 O ALA A 154 -17.387 -11.560 -6.367 1.00 0.71 O ATOM 2135 CB ALA A 154 -14.696 -12.377 -7.597 1.00 0.96 C ATOM 0 H ALA A 154 -13.375 -10.286 -7.265 1.00 0.73 H new ATOM 0 HA ALA A 154 -15.933 -10.825 -8.444 1.00 0.68 H new ATOM 0 HB1 ALA A 154 -15.457 -13.150 -7.701 1.00 0.96 H new ATOM 0 HB2 ALA A 154 -14.025 -12.410 -8.455 1.00 0.96 H new ATOM 0 HB3 ALA A 154 -14.127 -12.549 -6.684 1.00 0.96 H new ATOM 2141 N GLN A 155 -15.972 -10.280 -5.293 1.00 0.73 N ATOM 2142 CA GLN A 155 -16.870 -10.214 -4.113 1.00 0.59 C ATOM 2143 C GLN A 155 -18.082 -9.333 -4.443 1.00 0.38 C ATOM 2144 O GLN A 155 -18.056 -8.553 -5.375 1.00 0.50 O ATOM 2145 CB GLN A 155 -16.106 -9.617 -2.935 1.00 0.72 C ATOM 2146 CG GLN A 155 -14.744 -10.302 -2.807 1.00 0.91 C ATOM 2147 CD GLN A 155 -14.648 -11.002 -1.451 1.00 1.21 C ATOM 2148 OE1 GLN A 155 -15.205 -12.067 -1.264 1.00 1.34 O ATOM 2149 NE2 GLN A 155 -13.964 -10.447 -0.488 1.00 1.49 N ATOM 0 H GLN A 155 -15.098 -9.761 -5.205 1.00 0.73 H new ATOM 0 HA GLN A 155 -17.213 -11.216 -3.854 1.00 0.59 H new ATOM 0 HB2 GLN A 155 -15.973 -8.545 -3.080 1.00 0.72 H new ATOM 0 HB3 GLN A 155 -16.677 -9.746 -2.015 1.00 0.72 H new ATOM 0 HG2 GLN A 155 -14.612 -11.026 -3.611 1.00 0.91 H new ATOM 0 HG3 GLN A 155 -13.945 -9.567 -2.906 1.00 0.91 H new ATOM 0 HE21 GLN A 155 -13.496 -9.554 -0.644 1.00 1.49 H new ATOM 0 HE22 GLN A 155 -13.897 -10.906 0.420 1.00 1.49 H new ATOM 2158 N ASN A 156 -19.144 -9.456 -3.693 1.00 0.35 N ATOM 2159 CA ASN A 156 -20.356 -8.631 -3.970 1.00 0.46 C ATOM 2160 C ASN A 156 -19.999 -7.145 -3.903 1.00 0.52 C ATOM 2161 O ASN A 156 -18.930 -6.771 -3.464 1.00 0.57 O ATOM 2162 CB ASN A 156 -21.433 -8.943 -2.930 1.00 0.78 C ATOM 2163 CG ASN A 156 -21.752 -10.439 -2.961 1.00 0.33 C ATOM 2164 OD1 ASN A 156 -21.686 -11.063 -4.001 1.00 0.64 O ATOM 2165 ND2 ASN A 156 -22.101 -11.043 -1.858 1.00 0.94 N ATOM 0 H ASN A 156 -19.225 -10.092 -2.900 1.00 0.35 H new ATOM 0 HA ASN A 156 -20.730 -8.866 -4.966 1.00 0.46 H new ATOM 0 HB2 ASN A 156 -21.090 -8.654 -1.937 1.00 0.78 H new ATOM 0 HB3 ASN A 156 -22.333 -8.364 -3.137 1.00 0.78 H new ATOM 0 HD21 ASN A 156 -22.318 -12.039 -1.869 1.00 0.94 H new ATOM 0 HD22 ASN A 156 -22.156 -10.519 -0.985 1.00 0.94 H new ATOM 2172 N GLN A 157 -20.888 -6.292 -4.337 1.00 0.72 N ATOM 2173 CA GLN A 157 -20.601 -4.829 -4.299 1.00 0.87 C ATOM 2174 C GLN A 157 -20.267 -4.419 -2.863 1.00 0.93 C ATOM 2175 O GLN A 157 -19.462 -3.540 -2.631 1.00 0.93 O ATOM 2176 CB GLN A 157 -21.829 -4.055 -4.780 1.00 1.17 C ATOM 2177 CG GLN A 157 -21.534 -2.552 -4.756 1.00 1.47 C ATOM 2178 CD GLN A 157 -21.009 -2.112 -6.124 1.00 2.29 C ATOM 2179 OE1 GLN A 157 -19.815 -2.063 -6.343 1.00 3.49 O ATOM 2180 NE2 GLN A 157 -21.858 -1.786 -7.060 1.00 2.25 N ATOM 0 H GLN A 157 -21.800 -6.545 -4.716 1.00 0.72 H new ATOM 0 HA GLN A 157 -19.756 -4.604 -4.950 1.00 0.87 H new ATOM 0 HB2 GLN A 157 -22.095 -4.367 -5.790 1.00 1.17 H new ATOM 0 HB3 GLN A 157 -22.684 -4.278 -4.142 1.00 1.17 H new ATOM 0 HG2 GLN A 157 -22.438 -1.997 -4.506 1.00 1.47 H new ATOM 0 HG3 GLN A 157 -20.799 -2.327 -3.983 1.00 1.47 H new ATOM 0 HE21 GLN A 157 -22.860 -1.827 -6.876 1.00 2.25 H new ATOM 0 HE22 GLN A 157 -21.519 -1.490 -7.975 1.00 2.25 H new ATOM 2189 N TRP A 158 -20.876 -5.051 -1.900 1.00 1.05 N ATOM 2190 CA TRP A 158 -20.590 -4.701 -0.481 1.00 1.20 C ATOM 2191 C TRP A 158 -19.102 -4.928 -0.204 1.00 1.10 C ATOM 2192 O TRP A 158 -18.379 -4.020 0.160 1.00 1.12 O ATOM 2193 CB TRP A 158 -21.429 -5.597 0.437 1.00 1.31 C ATOM 2194 CG TRP A 158 -21.103 -5.307 1.869 1.00 1.38 C ATOM 2195 CD1 TRP A 158 -20.042 -5.811 2.540 1.00 1.13 C ATOM 2196 CD2 TRP A 158 -21.824 -4.464 2.814 1.00 1.72 C ATOM 2197 NE1 TRP A 158 -20.065 -5.330 3.836 1.00 1.29 N ATOM 2198 CE2 TRP A 158 -21.144 -4.496 4.055 1.00 1.66 C ATOM 2199 CE3 TRP A 158 -22.991 -3.682 2.718 1.00 2.08 C ATOM 2200 CZ2 TRP A 158 -21.602 -3.778 5.159 1.00 1.95 C ATOM 2201 CZ3 TRP A 158 -23.455 -2.958 3.828 1.00 2.38 C ATOM 2202 CH2 TRP A 158 -22.761 -3.007 5.047 1.00 2.31 C ATOM 0 H TRP A 158 -21.560 -5.796 -2.034 1.00 1.05 H new ATOM 0 HA TRP A 158 -20.841 -3.657 -0.294 1.00 1.20 H new ATOM 0 HB2 TRP A 158 -22.490 -5.427 0.255 1.00 1.31 H new ATOM 0 HB3 TRP A 158 -21.232 -6.646 0.215 1.00 1.31 H new ATOM 0 HD1 TRP A 158 -19.299 -6.479 2.131 1.00 1.13 H new ATOM 0 HE1 TRP A 158 -19.369 -5.563 4.545 1.00 1.29 H new ATOM 0 HE3 TRP A 158 -23.533 -3.639 1.785 1.00 2.08 H new ATOM 0 HZ2 TRP A 158 -21.064 -3.818 6.095 1.00 1.95 H new ATOM 0 HZ3 TRP A 158 -24.351 -2.360 3.743 1.00 2.38 H new ATOM 0 HH2 TRP A 158 -23.123 -2.449 5.898 1.00 2.31 H new ATOM 2213 N LEU A 159 -18.640 -6.134 -0.379 1.00 1.02 N ATOM 2214 CA LEU A 159 -17.203 -6.427 -0.132 1.00 0.96 C ATOM 2215 C LEU A 159 -16.337 -5.698 -1.165 1.00 0.79 C ATOM 2216 O LEU A 159 -15.133 -5.620 -1.026 1.00 0.64 O ATOM 2217 CB LEU A 159 -16.971 -7.932 -0.245 1.00 0.90 C ATOM 2218 CG LEU A 159 -17.495 -8.626 1.012 1.00 1.18 C ATOM 2219 CD1 LEU A 159 -17.843 -10.079 0.685 1.00 0.94 C ATOM 2220 CD2 LEU A 159 -16.417 -8.595 2.097 1.00 1.40 C ATOM 0 H LEU A 159 -19.198 -6.931 -0.684 1.00 1.02 H new ATOM 0 HA LEU A 159 -16.931 -6.085 0.867 1.00 0.96 H new ATOM 0 HB2 LEU A 159 -17.478 -8.323 -1.127 1.00 0.90 H new ATOM 0 HB3 LEU A 159 -15.908 -8.138 -0.370 1.00 0.90 H new ATOM 0 HG LEU A 159 -18.386 -8.109 1.367 1.00 1.18 H new ATOM 0 HD11 LEU A 159 -18.217 -10.574 1.581 1.00 0.94 H new ATOM 0 HD12 LEU A 159 -18.609 -10.104 -0.090 1.00 0.94 H new ATOM 0 HD13 LEU A 159 -16.951 -10.596 0.330 1.00 0.94 H new ATOM 0 HD21 LEU A 159 -16.789 -9.090 2.994 1.00 1.40 H new ATOM 0 HD22 LEU A 159 -15.527 -9.113 1.740 1.00 1.40 H new ATOM 0 HD23 LEU A 159 -16.166 -7.560 2.331 1.00 1.40 H new ATOM 2232 N GLN A 160 -16.932 -5.159 -2.198 1.00 0.83 N ATOM 2233 CA GLN A 160 -16.123 -4.437 -3.220 1.00 0.69 C ATOM 2234 C GLN A 160 -15.688 -3.092 -2.641 1.00 0.78 C ATOM 2235 O GLN A 160 -14.522 -2.754 -2.639 1.00 0.55 O ATOM 2236 CB GLN A 160 -16.962 -4.208 -4.480 1.00 0.72 C ATOM 2237 CG GLN A 160 -16.106 -4.490 -5.717 1.00 0.94 C ATOM 2238 CD GLN A 160 -16.788 -3.909 -6.957 1.00 1.02 C ATOM 2239 OE1 GLN A 160 -16.470 -2.816 -7.383 1.00 1.77 O ATOM 2240 NE2 GLN A 160 -17.717 -4.599 -7.560 1.00 1.31 N ATOM 0 H GLN A 160 -17.936 -5.188 -2.376 1.00 0.83 H new ATOM 0 HA GLN A 160 -15.247 -5.030 -3.483 1.00 0.69 H new ATOM 0 HB2 GLN A 160 -17.836 -4.860 -4.472 1.00 0.72 H new ATOM 0 HB3 GLN A 160 -17.330 -3.182 -4.504 1.00 0.72 H new ATOM 0 HG2 GLN A 160 -15.116 -4.050 -5.595 1.00 0.94 H new ATOM 0 HG3 GLN A 160 -15.965 -5.564 -5.837 1.00 0.94 H new ATOM 0 HE21 GLN A 160 -17.984 -5.516 -7.203 1.00 1.31 H new ATOM 0 HE22 GLN A 160 -18.176 -4.221 -8.389 1.00 1.31 H new ATOM 2249 N ASP A 161 -16.617 -2.331 -2.135 1.00 1.14 N ATOM 2250 CA ASP A 161 -16.257 -1.018 -1.540 1.00 1.26 C ATOM 2251 C ASP A 161 -15.434 -1.266 -0.276 1.00 1.08 C ATOM 2252 O ASP A 161 -14.633 -0.447 0.128 1.00 0.98 O ATOM 2253 CB ASP A 161 -17.529 -0.248 -1.185 1.00 1.66 C ATOM 2254 CG ASP A 161 -17.194 1.234 -1.000 1.00 1.95 C ATOM 2255 OD1 ASP A 161 -16.393 1.536 -0.131 1.00 1.31 O ATOM 2256 OD2 ASP A 161 -17.744 2.042 -1.731 1.00 3.04 O ATOM 0 H ASP A 161 -17.610 -2.563 -2.108 1.00 1.14 H new ATOM 0 HA ASP A 161 -15.677 -0.431 -2.253 1.00 1.26 H new ATOM 0 HB2 ASP A 161 -18.272 -0.368 -1.974 1.00 1.66 H new ATOM 0 HB3 ASP A 161 -17.967 -0.650 -0.271 1.00 1.66 H new ATOM 2261 N MET A 162 -15.617 -2.400 0.346 1.00 1.07 N ATOM 2262 CA MET A 162 -14.832 -2.705 1.573 1.00 0.99 C ATOM 2263 C MET A 162 -13.367 -2.921 1.166 1.00 0.75 C ATOM 2264 O MET A 162 -12.456 -2.487 1.837 1.00 0.72 O ATOM 2265 CB MET A 162 -15.445 -3.954 2.267 1.00 1.14 C ATOM 2266 CG MET A 162 -14.452 -5.131 2.357 1.00 1.06 C ATOM 2267 SD MET A 162 -13.213 -4.785 3.633 1.00 1.24 S ATOM 2268 CE MET A 162 -11.736 -5.161 2.652 1.00 0.69 C ATOM 0 H MET A 162 -16.274 -3.125 0.057 1.00 1.07 H new ATOM 0 HA MET A 162 -14.868 -1.883 2.288 1.00 0.99 H new ATOM 0 HB2 MET A 162 -15.773 -3.683 3.271 1.00 1.14 H new ATOM 0 HB3 MET A 162 -16.331 -4.272 1.717 1.00 1.14 H new ATOM 0 HG2 MET A 162 -14.985 -6.052 2.593 1.00 1.06 H new ATOM 0 HG3 MET A 162 -13.964 -5.283 1.394 1.00 1.06 H new ATOM 0 HE1 MET A 162 -11.083 -5.826 3.217 1.00 0.69 H new ATOM 0 HE2 MET A 162 -12.031 -5.646 1.722 1.00 0.69 H new ATOM 0 HE3 MET A 162 -11.204 -4.237 2.426 1.00 0.69 H new ATOM 2278 N THR A 163 -13.147 -3.593 0.069 1.00 0.58 N ATOM 2279 CA THR A 163 -11.754 -3.853 -0.395 1.00 0.36 C ATOM 2280 C THR A 163 -10.960 -2.543 -0.425 1.00 0.31 C ATOM 2281 O THR A 163 -9.843 -2.479 0.044 1.00 0.24 O ATOM 2282 CB THR A 163 -11.799 -4.463 -1.799 1.00 0.19 C ATOM 2283 OG1 THR A 163 -12.465 -5.717 -1.746 1.00 0.16 O ATOM 2284 CG2 THR A 163 -10.375 -4.665 -2.322 1.00 0.17 C ATOM 0 H THR A 163 -13.878 -3.976 -0.530 1.00 0.58 H new ATOM 0 HA THR A 163 -11.265 -4.545 0.291 1.00 0.36 H new ATOM 0 HB THR A 163 -12.335 -3.790 -2.468 1.00 0.19 H new ATOM 0 HG1 THR A 163 -13.417 -5.574 -1.560 1.00 0.16 H new ATOM 0 HG21 THR A 163 -10.413 -5.099 -3.321 1.00 0.17 H new ATOM 0 HG22 THR A 163 -9.863 -3.704 -2.363 1.00 0.17 H new ATOM 0 HG23 THR A 163 -9.834 -5.336 -1.655 1.00 0.17 H new ATOM 2292 N THR A 164 -11.523 -1.503 -0.969 1.00 0.39 N ATOM 2293 CA THR A 164 -10.791 -0.208 -1.020 1.00 0.43 C ATOM 2294 C THR A 164 -10.438 0.229 0.406 1.00 0.45 C ATOM 2295 O THR A 164 -9.396 0.800 0.653 1.00 0.44 O ATOM 2296 CB THR A 164 -11.675 0.853 -1.681 1.00 0.56 C ATOM 2297 OG1 THR A 164 -12.981 0.790 -1.126 1.00 0.97 O ATOM 2298 CG2 THR A 164 -11.747 0.595 -3.187 1.00 1.86 C ATOM 0 H THR A 164 -12.456 -1.493 -1.380 1.00 0.39 H new ATOM 0 HA THR A 164 -9.876 -0.326 -1.601 1.00 0.43 H new ATOM 0 HB THR A 164 -11.251 1.841 -1.504 1.00 0.56 H new ATOM 0 HG1 THR A 164 -13.026 0.057 -0.478 1.00 0.97 H new ATOM 0 HG21 THR A 164 -12.377 1.351 -3.656 1.00 1.86 H new ATOM 0 HG22 THR A 164 -10.745 0.643 -3.613 1.00 1.86 H new ATOM 0 HG23 THR A 164 -12.171 -0.393 -3.367 1.00 1.86 H new ATOM 2306 N HIS A 165 -11.308 -0.033 1.343 1.00 0.51 N ATOM 2307 CA HIS A 165 -11.044 0.365 2.758 1.00 0.55 C ATOM 2308 C HIS A 165 -9.810 -0.385 3.299 1.00 0.38 C ATOM 2309 O HIS A 165 -8.800 0.215 3.605 1.00 0.34 O ATOM 2310 CB HIS A 165 -12.297 0.045 3.602 1.00 0.73 C ATOM 2311 CG HIS A 165 -11.961 -0.059 5.069 1.00 0.49 C ATOM 2312 ND1 HIS A 165 -12.337 -1.152 5.832 1.00 0.63 N ATOM 2313 CD2 HIS A 165 -11.278 0.776 5.919 1.00 0.66 C ATOM 2314 CE1 HIS A 165 -11.881 -0.952 7.080 1.00 0.30 C ATOM 2315 NE2 HIS A 165 -11.229 0.209 7.191 1.00 0.44 N ATOM 0 H HIS A 165 -12.197 -0.509 1.189 1.00 0.51 H new ATOM 0 HA HIS A 165 -10.835 1.433 2.814 1.00 0.55 H new ATOM 0 HB2 HIS A 165 -13.046 0.823 3.453 1.00 0.73 H new ATOM 0 HB3 HIS A 165 -12.738 -0.892 3.261 1.00 0.73 H new ATOM 0 HD2 HIS A 165 -10.845 1.726 5.644 1.00 0.66 H new ATOM 0 HE1 HIS A 165 -12.024 -1.646 7.895 1.00 0.30 H new ATOM 0 HE2 HIS A 165 -10.790 0.597 8.026 1.00 0.44 H new ATOM 2323 N LEU A 166 -9.893 -1.684 3.442 1.00 0.37 N ATOM 2324 CA LEU A 166 -8.732 -2.460 3.991 1.00 0.34 C ATOM 2325 C LEU A 166 -7.438 -2.059 3.290 1.00 0.22 C ATOM 2326 O LEU A 166 -6.413 -1.876 3.919 1.00 0.31 O ATOM 2327 CB LEU A 166 -8.952 -3.958 3.777 1.00 0.44 C ATOM 2328 CG LEU A 166 -9.528 -4.601 5.046 1.00 1.65 C ATOM 2329 CD1 LEU A 166 -8.479 -4.565 6.160 1.00 1.54 C ATOM 2330 CD2 LEU A 166 -10.780 -3.843 5.499 1.00 2.81 C ATOM 0 H LEU A 166 -10.712 -2.243 3.203 1.00 0.37 H new ATOM 0 HA LEU A 166 -8.656 -2.240 5.056 1.00 0.34 H new ATOM 0 HB2 LEU A 166 -9.633 -4.116 2.940 1.00 0.44 H new ATOM 0 HB3 LEU A 166 -8.008 -4.437 3.515 1.00 0.44 H new ATOM 0 HG LEU A 166 -9.797 -5.635 4.829 1.00 1.65 H new ATOM 0 HD11 LEU A 166 -8.889 -5.022 7.061 1.00 1.54 H new ATOM 0 HD12 LEU A 166 -7.594 -5.117 5.844 1.00 1.54 H new ATOM 0 HD13 LEU A 166 -8.206 -3.531 6.370 1.00 1.54 H new ATOM 0 HD21 LEU A 166 -11.181 -4.308 6.400 1.00 2.81 H new ATOM 0 HD22 LEU A 166 -10.521 -2.806 5.710 1.00 2.81 H new ATOM 0 HD23 LEU A 166 -11.531 -3.876 4.709 1.00 2.81 H new ATOM 2342 N ILE A 167 -7.463 -1.932 1.990 1.00 0.10 N ATOM 2343 CA ILE A 167 -6.217 -1.556 1.272 1.00 0.20 C ATOM 2344 C ILE A 167 -5.681 -0.249 1.860 1.00 0.19 C ATOM 2345 O ILE A 167 -4.573 -0.186 2.344 1.00 0.36 O ATOM 2346 CB ILE A 167 -6.490 -1.361 -0.222 1.00 0.26 C ATOM 2347 CG1 ILE A 167 -6.969 -2.680 -0.832 1.00 0.24 C ATOM 2348 CG2 ILE A 167 -5.196 -0.916 -0.922 1.00 0.45 C ATOM 2349 CD1 ILE A 167 -7.650 -2.405 -2.175 1.00 0.24 C ATOM 0 H ILE A 167 -8.285 -2.071 1.402 1.00 0.10 H new ATOM 0 HA ILE A 167 -5.486 -2.356 1.391 1.00 0.20 H new ATOM 0 HB ILE A 167 -7.259 -0.600 -0.354 1.00 0.26 H new ATOM 0 HG12 ILE A 167 -6.125 -3.356 -0.972 1.00 0.24 H new ATOM 0 HG13 ILE A 167 -7.665 -3.175 -0.154 1.00 0.24 H new ATOM 0 HG21 ILE A 167 -5.387 -0.776 -1.986 1.00 0.45 H new ATOM 0 HG22 ILE A 167 -4.853 0.023 -0.489 1.00 0.45 H new ATOM 0 HG23 ILE A 167 -4.429 -1.679 -0.788 1.00 0.45 H new ATOM 0 HD11 ILE A 167 -7.991 -3.345 -2.609 1.00 0.24 H new ATOM 0 HD12 ILE A 167 -8.504 -1.745 -2.022 1.00 0.24 H new ATOM 0 HD13 ILE A 167 -6.941 -1.929 -2.852 1.00 0.24 H new ATOM 2361 N LEU A 168 -6.466 0.790 1.815 1.00 0.23 N ATOM 2362 CA LEU A 168 -6.009 2.097 2.369 1.00 0.29 C ATOM 2363 C LEU A 168 -5.581 1.915 3.827 1.00 0.25 C ATOM 2364 O LEU A 168 -4.829 2.703 4.364 1.00 0.32 O ATOM 2365 CB LEU A 168 -7.151 3.110 2.305 1.00 0.37 C ATOM 2366 CG LEU A 168 -7.622 3.265 0.859 1.00 0.49 C ATOM 2367 CD1 LEU A 168 -9.066 3.766 0.847 1.00 0.49 C ATOM 2368 CD2 LEU A 168 -6.727 4.276 0.139 1.00 0.90 C ATOM 0 H LEU A 168 -7.406 0.792 1.418 1.00 0.23 H new ATOM 0 HA LEU A 168 -5.165 2.459 1.781 1.00 0.29 H new ATOM 0 HB2 LEU A 168 -7.978 2.780 2.934 1.00 0.37 H new ATOM 0 HB3 LEU A 168 -6.819 4.072 2.694 1.00 0.37 H new ATOM 0 HG LEU A 168 -7.566 2.302 0.351 1.00 0.49 H new ATOM 0 HD11 LEU A 168 -9.404 3.877 -0.183 1.00 0.49 H new ATOM 0 HD12 LEU A 168 -9.704 3.049 1.363 1.00 0.49 H new ATOM 0 HD13 LEU A 168 -9.121 4.730 1.353 1.00 0.49 H new ATOM 0 HD21 LEU A 168 -7.061 4.388 -0.892 1.00 0.90 H new ATOM 0 HD22 LEU A 168 -6.785 5.239 0.646 1.00 0.90 H new ATOM 0 HD23 LEU A 168 -5.696 3.922 0.150 1.00 0.90 H new ATOM 2380 N ARG A 169 -6.058 0.889 4.475 1.00 0.17 N ATOM 2381 CA ARG A 169 -5.681 0.667 5.898 1.00 0.19 C ATOM 2382 C ARG A 169 -4.209 0.267 5.986 1.00 0.20 C ATOM 2383 O ARG A 169 -3.489 0.715 6.856 1.00 0.36 O ATOM 2384 CB ARG A 169 -6.545 -0.444 6.496 1.00 0.18 C ATOM 2385 CG ARG A 169 -6.934 -0.062 7.925 1.00 0.44 C ATOM 2386 CD ARG A 169 -6.681 -1.247 8.861 1.00 0.25 C ATOM 2387 NE ARG A 169 -5.359 -1.080 9.531 1.00 1.47 N ATOM 2388 CZ ARG A 169 -5.242 -1.302 10.813 1.00 1.64 C ATOM 2389 NH1 ARG A 169 -5.040 -2.516 11.251 1.00 2.09 N ATOM 2390 NH2 ARG A 169 -5.328 -0.311 11.657 1.00 1.98 N ATOM 0 H ARG A 169 -6.693 0.195 4.080 1.00 0.17 H new ATOM 0 HA ARG A 169 -5.841 1.590 6.456 1.00 0.19 H new ATOM 0 HB2 ARG A 169 -7.439 -0.592 5.890 1.00 0.18 H new ATOM 0 HB3 ARG A 169 -5.999 -1.387 6.495 1.00 0.18 H new ATOM 0 HG2 ARG A 169 -6.355 0.802 8.251 1.00 0.44 H new ATOM 0 HG3 ARG A 169 -7.985 0.226 7.962 1.00 0.44 H new ATOM 0 HD2 ARG A 169 -7.473 -1.310 9.607 1.00 0.25 H new ATOM 0 HD3 ARG A 169 -6.699 -2.180 8.297 1.00 0.25 H new ATOM 0 HE ARG A 169 -4.545 -0.792 8.988 1.00 1.47 H new ATOM 0 HH11 ARG A 169 -4.973 -3.292 10.592 1.00 2.09 H new ATOM 0 HH12 ARG A 169 -4.949 -2.688 12.252 1.00 2.09 H new ATOM 0 HH21 ARG A 169 -5.487 0.637 11.316 1.00 1.98 H new ATOM 0 HH22 ARG A 169 -5.237 -0.484 12.658 1.00 1.98 H new ATOM 2404 N SER A 170 -3.745 -0.565 5.090 1.00 0.10 N ATOM 2405 CA SER A 170 -2.321 -0.967 5.134 1.00 0.20 C ATOM 2406 C SER A 170 -1.484 0.197 4.626 1.00 0.11 C ATOM 2407 O SER A 170 -0.432 0.491 5.134 1.00 0.14 O ATOM 2408 CB SER A 170 -2.102 -2.190 4.243 1.00 0.32 C ATOM 2409 OG SER A 170 -1.237 -3.105 4.906 1.00 0.79 O ATOM 0 H SER A 170 -4.293 -0.978 4.336 1.00 0.10 H new ATOM 0 HA SER A 170 -2.032 -1.222 6.153 1.00 0.20 H new ATOM 0 HB2 SER A 170 -3.056 -2.669 4.022 1.00 0.32 H new ATOM 0 HB3 SER A 170 -1.668 -1.887 3.290 1.00 0.32 H new ATOM 0 HG SER A 170 -1.095 -3.891 4.338 1.00 0.79 H new ATOM 2415 N PHE A 171 -1.953 0.882 3.628 1.00 0.11 N ATOM 2416 CA PHE A 171 -1.175 2.031 3.107 1.00 0.08 C ATOM 2417 C PHE A 171 -0.866 2.996 4.251 1.00 0.14 C ATOM 2418 O PHE A 171 0.250 3.420 4.420 1.00 0.19 O ATOM 2419 CB PHE A 171 -1.975 2.736 2.017 1.00 0.12 C ATOM 2420 CG PHE A 171 -1.625 2.106 0.694 1.00 0.10 C ATOM 2421 CD1 PHE A 171 -2.168 0.864 0.351 1.00 0.65 C ATOM 2422 CD2 PHE A 171 -0.744 2.752 -0.178 1.00 0.47 C ATOM 2423 CE1 PHE A 171 -1.829 0.265 -0.865 1.00 0.64 C ATOM 2424 CE2 PHE A 171 -0.406 2.156 -1.396 1.00 0.49 C ATOM 2425 CZ PHE A 171 -0.946 0.913 -1.742 1.00 0.08 C ATOM 0 H PHE A 171 -2.836 0.698 3.153 1.00 0.11 H new ATOM 0 HA PHE A 171 -0.236 1.678 2.680 1.00 0.08 H new ATOM 0 HB2 PHE A 171 -3.044 2.645 2.211 1.00 0.12 H new ATOM 0 HB3 PHE A 171 -1.743 3.801 2.004 1.00 0.12 H new ATOM 0 HD1 PHE A 171 -2.849 0.368 1.026 1.00 0.65 H new ATOM 0 HD2 PHE A 171 -0.325 3.711 0.089 1.00 0.47 H new ATOM 0 HE1 PHE A 171 -2.246 -0.695 -1.129 1.00 0.64 H new ATOM 0 HE2 PHE A 171 0.273 2.656 -2.071 1.00 0.49 H new ATOM 0 HZ PHE A 171 -0.684 0.453 -2.683 1.00 0.08 H new ATOM 2435 N LYS A 172 -1.840 3.334 5.047 1.00 0.21 N ATOM 2436 CA LYS A 172 -1.576 4.263 6.180 1.00 0.32 C ATOM 2437 C LYS A 172 -0.555 3.635 7.139 1.00 0.28 C ATOM 2438 O LYS A 172 0.514 4.173 7.365 1.00 0.25 O ATOM 2439 CB LYS A 172 -2.880 4.535 6.934 1.00 0.47 C ATOM 2440 CG LYS A 172 -2.940 6.009 7.341 1.00 0.89 C ATOM 2441 CD LYS A 172 -3.380 6.851 6.141 1.00 0.84 C ATOM 2442 CE LYS A 172 -3.256 8.337 6.484 1.00 1.73 C ATOM 2443 NZ LYS A 172 -2.908 9.101 5.252 1.00 2.83 N ATOM 0 H LYS A 172 -2.803 3.009 4.963 1.00 0.21 H new ATOM 0 HA LYS A 172 -1.177 5.199 5.790 1.00 0.32 H new ATOM 0 HB2 LYS A 172 -3.734 4.286 6.305 1.00 0.47 H new ATOM 0 HB3 LYS A 172 -2.940 3.900 7.818 1.00 0.47 H new ATOM 0 HG2 LYS A 172 -3.638 6.141 8.167 1.00 0.89 H new ATOM 0 HG3 LYS A 172 -1.963 6.340 7.693 1.00 0.89 H new ATOM 0 HD2 LYS A 172 -2.764 6.615 5.273 1.00 0.84 H new ATOM 0 HD3 LYS A 172 -4.410 6.613 5.875 1.00 0.84 H new ATOM 0 HE2 LYS A 172 -4.193 8.705 6.901 1.00 1.73 H new ATOM 0 HE3 LYS A 172 -2.489 8.483 7.245 1.00 1.73 H new ATOM 0 HZ1 LYS A 172 -2.436 9.989 5.516 1.00 2.83 H new ATOM 0 HZ2 LYS A 172 -2.270 8.532 4.660 1.00 2.83 H new ATOM 0 HZ3 LYS A 172 -3.775 9.315 4.720 1.00 2.83 H new ATOM 2457 N GLU A 173 -0.877 2.505 7.713 1.00 0.28 N ATOM 2458 CA GLU A 173 0.071 1.852 8.668 1.00 0.25 C ATOM 2459 C GLU A 173 1.292 1.313 7.915 1.00 0.21 C ATOM 2460 O GLU A 173 2.387 1.799 8.079 1.00 0.19 O ATOM 2461 CB GLU A 173 -0.639 0.697 9.377 1.00 0.28 C ATOM 2462 CG GLU A 173 -0.809 1.036 10.860 1.00 0.52 C ATOM 2463 CD GLU A 173 -1.791 2.201 11.009 1.00 2.38 C ATOM 2464 OE1 GLU A 173 -2.006 2.899 10.033 1.00 3.67 O ATOM 2465 OE2 GLU A 173 -2.311 2.373 12.100 1.00 2.62 O ATOM 0 H GLU A 173 -1.754 2.006 7.563 1.00 0.28 H new ATOM 0 HA GLU A 173 0.402 2.588 9.400 1.00 0.25 H new ATOM 0 HB2 GLU A 173 -1.612 0.519 8.920 1.00 0.28 H new ATOM 0 HB3 GLU A 173 -0.062 -0.221 9.267 1.00 0.28 H new ATOM 0 HG2 GLU A 173 -1.176 0.165 11.403 1.00 0.52 H new ATOM 0 HG3 GLU A 173 0.154 1.301 11.296 1.00 0.52 H new ATOM 2472 N PHE A 174 1.101 0.300 7.111 1.00 0.20 N ATOM 2473 CA PHE A 174 2.233 -0.315 6.333 1.00 0.19 C ATOM 2474 C PHE A 174 3.228 0.751 5.836 1.00 0.16 C ATOM 2475 O PHE A 174 4.398 0.708 6.165 1.00 0.18 O ATOM 2476 CB PHE A 174 1.655 -1.062 5.129 1.00 0.16 C ATOM 2477 CG PHE A 174 2.563 -2.199 4.746 1.00 0.24 C ATOM 2478 CD1 PHE A 174 3.863 -1.933 4.313 1.00 0.75 C ATOM 2479 CD2 PHE A 174 2.100 -3.518 4.822 1.00 0.80 C ATOM 2480 CE1 PHE A 174 4.709 -2.987 3.953 1.00 0.74 C ATOM 2481 CE2 PHE A 174 2.945 -4.573 4.462 1.00 0.90 C ATOM 2482 CZ PHE A 174 4.251 -4.308 4.027 1.00 0.46 C ATOM 0 H PHE A 174 0.194 -0.139 6.954 1.00 0.20 H new ATOM 0 HA PHE A 174 2.771 -0.996 6.992 1.00 0.19 H new ATOM 0 HB2 PHE A 174 0.662 -1.443 5.369 1.00 0.16 H new ATOM 0 HB3 PHE A 174 1.539 -0.379 4.288 1.00 0.16 H new ATOM 0 HD1 PHE A 174 4.215 -0.914 4.256 1.00 0.75 H new ATOM 0 HD2 PHE A 174 1.094 -3.720 5.158 1.00 0.80 H new ATOM 0 HE1 PHE A 174 5.715 -2.782 3.618 1.00 0.74 H new ATOM 0 HE2 PHE A 174 2.591 -5.592 4.519 1.00 0.90 H new ATOM 0 HZ PHE A 174 4.904 -5.122 3.749 1.00 0.46 H new ATOM 2492 N LEU A 175 2.791 1.701 5.047 1.00 0.13 N ATOM 2493 CA LEU A 175 3.746 2.741 4.551 1.00 0.13 C ATOM 2494 C LEU A 175 4.395 3.448 5.743 1.00 0.15 C ATOM 2495 O LEU A 175 5.573 3.745 5.731 1.00 0.17 O ATOM 2496 CB LEU A 175 3.007 3.778 3.702 1.00 0.12 C ATOM 2497 CG LEU A 175 2.523 3.142 2.395 1.00 0.11 C ATOM 2498 CD1 LEU A 175 1.321 3.919 1.861 1.00 0.14 C ATOM 2499 CD2 LEU A 175 3.640 3.190 1.352 1.00 0.15 C ATOM 0 H LEU A 175 1.827 1.802 4.728 1.00 0.13 H new ATOM 0 HA LEU A 175 4.509 2.254 3.943 1.00 0.13 H new ATOM 0 HB2 LEU A 175 2.158 4.176 4.258 1.00 0.12 H new ATOM 0 HB3 LEU A 175 3.667 4.618 3.484 1.00 0.12 H new ATOM 0 HG LEU A 175 2.242 2.107 2.589 1.00 0.11 H new ATOM 0 HD11 LEU A 175 0.978 3.465 0.931 1.00 0.14 H new ATOM 0 HD12 LEU A 175 0.516 3.894 2.595 1.00 0.14 H new ATOM 0 HD13 LEU A 175 1.610 4.953 1.675 1.00 0.14 H new ATOM 0 HD21 LEU A 175 3.291 2.737 0.424 1.00 0.15 H new ATOM 0 HD22 LEU A 175 3.920 4.227 1.166 1.00 0.15 H new ATOM 0 HD23 LEU A 175 4.506 2.641 1.721 1.00 0.15 H new ATOM 2511 N GLN A 176 3.637 3.729 6.772 1.00 0.17 N ATOM 2512 CA GLN A 176 4.221 4.422 7.959 1.00 0.20 C ATOM 2513 C GLN A 176 5.453 3.651 8.448 1.00 0.20 C ATOM 2514 O GLN A 176 6.498 4.223 8.687 1.00 0.26 O ATOM 2515 CB GLN A 176 3.180 4.490 9.079 1.00 0.23 C ATOM 2516 CG GLN A 176 2.636 5.915 9.184 1.00 0.26 C ATOM 2517 CD GLN A 176 2.499 6.303 10.657 1.00 0.53 C ATOM 2518 OE1 GLN A 176 3.438 6.783 11.260 1.00 1.75 O ATOM 2519 NE2 GLN A 176 1.362 6.111 11.266 1.00 0.63 N ATOM 0 H GLN A 176 2.643 3.510 6.841 1.00 0.17 H new ATOM 0 HA GLN A 176 4.515 5.434 7.678 1.00 0.20 H new ATOM 0 HB2 GLN A 176 2.367 3.793 8.877 1.00 0.23 H new ATOM 0 HB3 GLN A 176 3.629 4.190 10.026 1.00 0.23 H new ATOM 0 HG2 GLN A 176 3.305 6.609 8.675 1.00 0.26 H new ATOM 0 HG3 GLN A 176 1.668 5.983 8.688 1.00 0.26 H new ATOM 0 HE21 GLN A 176 0.574 5.708 10.759 1.00 0.63 H new ATOM 0 HE22 GLN A 176 1.261 6.364 12.249 1.00 0.63 H new ATOM 2528 N SER A 177 5.342 2.356 8.591 1.00 0.15 N ATOM 2529 CA SER A 177 6.509 1.556 9.054 1.00 0.14 C ATOM 2530 C SER A 177 7.632 1.684 8.028 1.00 0.13 C ATOM 2531 O SER A 177 8.797 1.633 8.359 1.00 0.14 O ATOM 2532 CB SER A 177 6.103 0.088 9.189 1.00 0.13 C ATOM 2533 OG SER A 177 4.733 0.010 9.556 1.00 0.67 O ATOM 0 H SER A 177 4.494 1.820 8.407 1.00 0.15 H new ATOM 0 HA SER A 177 6.849 1.923 10.023 1.00 0.14 H new ATOM 0 HB2 SER A 177 6.269 -0.435 8.247 1.00 0.13 H new ATOM 0 HB3 SER A 177 6.721 -0.404 9.940 1.00 0.13 H new ATOM 0 HG SER A 177 4.470 -0.930 9.641 1.00 0.67 H new ATOM 2539 N SER A 178 7.285 1.853 6.783 1.00 0.15 N ATOM 2540 CA SER A 178 8.324 1.995 5.727 1.00 0.16 C ATOM 2541 C SER A 178 9.219 3.192 6.053 1.00 0.13 C ATOM 2542 O SER A 178 10.426 3.132 5.930 1.00 0.18 O ATOM 2543 CB SER A 178 7.644 2.226 4.376 1.00 0.31 C ATOM 2544 OG SER A 178 8.606 2.110 3.336 1.00 0.93 O ATOM 0 H SER A 178 6.322 1.899 6.450 1.00 0.15 H new ATOM 0 HA SER A 178 8.927 1.088 5.684 1.00 0.16 H new ATOM 0 HB2 SER A 178 6.845 1.499 4.230 1.00 0.31 H new ATOM 0 HB3 SER A 178 7.184 3.214 4.352 1.00 0.31 H new ATOM 0 HG SER A 178 8.171 2.256 2.470 1.00 0.93 H new ATOM 2550 N LEU A 179 8.633 4.285 6.463 1.00 0.23 N ATOM 2551 CA LEU A 179 9.443 5.491 6.792 1.00 0.32 C ATOM 2552 C LEU A 179 10.271 5.235 8.055 1.00 0.30 C ATOM 2553 O LEU A 179 11.402 5.667 8.163 1.00 0.32 O ATOM 2554 CB LEU A 179 8.507 6.678 7.033 1.00 0.43 C ATOM 2555 CG LEU A 179 7.913 7.141 5.702 1.00 0.47 C ATOM 2556 CD1 LEU A 179 6.638 6.346 5.408 1.00 0.71 C ATOM 2557 CD2 LEU A 179 7.575 8.632 5.786 1.00 0.30 C ATOM 0 H LEU A 179 7.626 4.394 6.584 1.00 0.23 H new ATOM 0 HA LEU A 179 10.114 5.711 5.961 1.00 0.32 H new ATOM 0 HB2 LEU A 179 7.710 6.392 7.719 1.00 0.43 H new ATOM 0 HB3 LEU A 179 9.054 7.496 7.503 1.00 0.43 H new ATOM 0 HG LEU A 179 8.637 6.976 4.904 1.00 0.47 H new ATOM 0 HD11 LEU A 179 6.214 6.676 4.459 1.00 0.71 H new ATOM 0 HD12 LEU A 179 6.877 5.284 5.349 1.00 0.71 H new ATOM 0 HD13 LEU A 179 5.914 6.511 6.206 1.00 0.71 H new ATOM 0 HD21 LEU A 179 7.152 8.963 4.838 1.00 0.30 H new ATOM 0 HD22 LEU A 179 6.851 8.797 6.584 1.00 0.30 H new ATOM 0 HD23 LEU A 179 8.482 9.199 5.996 1.00 0.30 H new ATOM 2569 N ARG A 180 9.714 4.548 9.015 1.00 0.35 N ATOM 2570 CA ARG A 180 10.463 4.276 10.277 1.00 0.41 C ATOM 2571 C ARG A 180 11.652 3.348 10.000 1.00 0.41 C ATOM 2572 O ARG A 180 12.651 3.379 10.694 1.00 0.41 O ATOM 2573 CB ARG A 180 9.526 3.608 11.287 1.00 0.56 C ATOM 2574 CG ARG A 180 9.620 4.332 12.632 1.00 0.85 C ATOM 2575 CD ARG A 180 8.278 4.229 13.360 1.00 0.70 C ATOM 2576 NE ARG A 180 8.148 2.877 13.972 1.00 2.18 N ATOM 2577 CZ ARG A 180 7.044 2.541 14.583 1.00 2.66 C ATOM 2578 NH1 ARG A 180 6.510 3.350 15.457 1.00 2.10 N ATOM 2579 NH2 ARG A 180 6.477 1.395 14.321 1.00 3.93 N ATOM 0 H ARG A 180 8.770 4.162 8.980 1.00 0.35 H new ATOM 0 HA ARG A 180 10.834 5.219 10.679 1.00 0.41 H new ATOM 0 HB2 ARG A 180 8.500 3.635 10.919 1.00 0.56 H new ATOM 0 HB3 ARG A 180 9.794 2.558 11.408 1.00 0.56 H new ATOM 0 HG2 ARG A 180 10.411 3.892 13.240 1.00 0.85 H new ATOM 0 HG3 ARG A 180 9.882 5.378 12.477 1.00 0.85 H new ATOM 0 HD2 ARG A 180 8.210 4.997 14.131 1.00 0.70 H new ATOM 0 HD3 ARG A 180 7.459 4.404 12.662 1.00 0.70 H new ATOM 0 HE ARG A 180 8.921 2.214 13.914 1.00 2.18 H new ATOM 0 HH11 ARG A 180 6.955 4.244 15.663 1.00 2.10 H new ATOM 0 HH12 ARG A 180 5.648 3.088 15.934 1.00 2.10 H new ATOM 0 HH21 ARG A 180 6.896 0.763 13.639 1.00 3.93 H new ATOM 0 HH22 ARG A 180 5.615 1.132 14.798 1.00 3.93 H new ATOM 2593 N ALA A 181 11.557 2.521 8.996 1.00 0.41 N ATOM 2594 CA ALA A 181 12.680 1.594 8.690 1.00 0.43 C ATOM 2595 C ALA A 181 13.716 2.321 7.840 1.00 0.38 C ATOM 2596 O ALA A 181 14.893 2.019 7.884 1.00 0.50 O ATOM 2597 CB ALA A 181 12.147 0.380 7.925 1.00 0.46 C ATOM 0 H ALA A 181 10.751 2.448 8.375 1.00 0.41 H new ATOM 0 HA ALA A 181 13.142 1.259 9.619 1.00 0.43 H new ATOM 0 HB1 ALA A 181 12.970 -0.299 7.701 1.00 0.46 H new ATOM 0 HB2 ALA A 181 11.406 -0.137 8.534 1.00 0.46 H new ATOM 0 HB3 ALA A 181 11.686 0.710 6.994 1.00 0.46 H new ATOM 2603 N LEU A 182 13.292 3.283 7.070 1.00 0.25 N ATOM 2604 CA LEU A 182 14.258 4.032 6.225 1.00 0.22 C ATOM 2605 C LEU A 182 15.017 5.030 7.102 1.00 0.21 C ATOM 2606 O LEU A 182 16.136 5.403 6.814 1.00 0.29 O ATOM 2607 CB LEU A 182 13.505 4.780 5.123 1.00 0.14 C ATOM 2608 CG LEU A 182 14.000 4.305 3.757 1.00 0.57 C ATOM 2609 CD1 LEU A 182 13.760 2.800 3.620 1.00 1.14 C ATOM 2610 CD2 LEU A 182 13.238 5.045 2.656 1.00 0.73 C ATOM 0 H LEU A 182 12.320 3.582 6.990 1.00 0.25 H new ATOM 0 HA LEU A 182 14.962 3.338 5.766 1.00 0.22 H new ATOM 0 HB2 LEU A 182 12.433 4.603 5.215 1.00 0.14 H new ATOM 0 HB3 LEU A 182 13.661 5.854 5.225 1.00 0.14 H new ATOM 0 HG LEU A 182 15.066 4.511 3.665 1.00 0.57 H new ATOM 0 HD11 LEU A 182 14.113 2.462 2.646 1.00 1.14 H new ATOM 0 HD12 LEU A 182 14.301 2.272 4.405 1.00 1.14 H new ATOM 0 HD13 LEU A 182 12.694 2.592 3.711 1.00 1.14 H new ATOM 0 HD21 LEU A 182 13.589 4.708 1.681 1.00 0.73 H new ATOM 0 HD22 LEU A 182 12.172 4.838 2.749 1.00 0.73 H new ATOM 0 HD23 LEU A 182 13.409 6.117 2.753 1.00 0.73 H new ATOM 2622 N ARG A 183 14.413 5.457 8.178 1.00 0.25 N ATOM 2623 CA ARG A 183 15.094 6.424 9.085 1.00 0.25 C ATOM 2624 C ARG A 183 16.031 5.659 10.021 1.00 0.37 C ATOM 2625 O ARG A 183 17.074 6.151 10.407 1.00 0.44 O ATOM 2626 CB ARG A 183 14.048 7.177 9.911 1.00 0.36 C ATOM 2627 CG ARG A 183 13.226 6.178 10.729 1.00 2.78 C ATOM 2628 CD ARG A 183 12.321 6.934 11.702 1.00 3.28 C ATOM 2629 NE ARG A 183 11.312 7.714 10.932 1.00 3.58 N ATOM 2630 CZ ARG A 183 10.074 7.758 11.340 1.00 4.84 C ATOM 2631 NH1 ARG A 183 9.794 8.221 12.528 1.00 5.09 N ATOM 2632 NH2 ARG A 183 9.115 7.339 10.560 1.00 6.05 N ATOM 0 H ARG A 183 13.476 5.177 8.468 1.00 0.25 H new ATOM 0 HA ARG A 183 15.668 7.138 8.495 1.00 0.25 H new ATOM 0 HB2 ARG A 183 14.538 7.890 10.574 1.00 0.36 H new ATOM 0 HB3 ARG A 183 13.394 7.750 9.254 1.00 0.36 H new ATOM 0 HG2 ARG A 183 12.625 5.557 10.065 1.00 2.78 H new ATOM 0 HG3 ARG A 183 13.889 5.509 11.278 1.00 2.78 H new ATOM 0 HD2 ARG A 183 11.822 6.233 12.372 1.00 3.28 H new ATOM 0 HD3 ARG A 183 12.916 7.602 12.325 1.00 3.28 H new ATOM 0 HE ARG A 183 11.589 8.213 10.087 1.00 3.58 H new ATOM 0 HH11 ARG A 183 10.544 8.548 13.137 1.00 5.09 H new ATOM 0 HH12 ARG A 183 8.826 8.255 12.847 1.00 5.09 H new ATOM 0 HH21 ARG A 183 9.334 6.977 9.632 1.00 6.05 H new ATOM 0 HH22 ARG A 183 8.147 7.373 10.879 1.00 6.05 H new ATOM 2646 N GLN A 184 15.672 4.458 10.386 1.00 0.42 N ATOM 2647 CA GLN A 184 16.545 3.662 11.292 1.00 0.56 C ATOM 2648 C GLN A 184 17.700 3.075 10.483 1.00 0.57 C ATOM 2649 O GLN A 184 18.760 2.791 11.007 1.00 0.70 O ATOM 2650 CB GLN A 184 15.731 2.526 11.915 1.00 0.65 C ATOM 2651 CG GLN A 184 14.954 3.055 13.122 1.00 0.33 C ATOM 2652 CD GLN A 184 15.570 2.497 14.408 1.00 0.93 C ATOM 2653 OE1 GLN A 184 16.676 1.996 14.396 1.00 1.99 O ATOM 2654 NE2 GLN A 184 14.893 2.561 15.522 1.00 0.86 N ATOM 0 H GLN A 184 14.811 3.994 10.095 1.00 0.42 H new ATOM 0 HA GLN A 184 16.937 4.302 12.082 1.00 0.56 H new ATOM 0 HB2 GLN A 184 15.042 2.112 11.179 1.00 0.65 H new ATOM 0 HB3 GLN A 184 16.393 1.716 12.222 1.00 0.65 H new ATOM 0 HG2 GLN A 184 14.980 4.145 13.136 1.00 0.33 H new ATOM 0 HG3 GLN A 184 13.906 2.762 13.051 1.00 0.33 H new ATOM 0 HE21 GLN A 184 13.964 2.982 15.531 1.00 0.86 H new ATOM 0 HE22 GLN A 184 15.293 2.190 16.384 1.00 0.86 H new ATOM 2663 N MET A 185 17.504 2.892 9.207 1.00 0.46 N ATOM 2664 CA MET A 185 18.586 2.323 8.359 1.00 0.54 C ATOM 2665 C MET A 185 19.784 3.275 8.354 1.00 0.50 C ATOM 2666 O MET A 185 19.680 4.323 7.738 1.00 1.09 O ATOM 2667 CB MET A 185 18.070 2.142 6.931 1.00 0.73 C ATOM 2668 CG MET A 185 17.555 0.713 6.752 1.00 0.75 C ATOM 2669 SD MET A 185 16.617 0.596 5.208 1.00 0.77 S ATOM 2670 CE MET A 185 15.300 -0.481 5.824 1.00 0.51 C ATOM 2671 OXT MET A 185 20.784 2.940 8.967 1.00 1.10 O ATOM 0 H MET A 185 16.639 3.113 8.714 1.00 0.46 H new ATOM 0 HA MET A 185 18.893 1.357 8.759 1.00 0.54 H new ATOM 0 HB2 MET A 185 17.271 2.856 6.728 1.00 0.73 H new ATOM 0 HB3 MET A 185 18.868 2.345 6.216 1.00 0.73 H new ATOM 0 HG2 MET A 185 18.391 0.014 6.736 1.00 0.75 H new ATOM 0 HG3 MET A 185 16.923 0.435 7.595 1.00 0.75 H new ATOM 0 HE1 MET A 185 14.819 -0.984 4.985 1.00 0.51 H new ATOM 0 HE2 MET A 185 15.724 -1.225 6.498 1.00 0.51 H new ATOM 0 HE3 MET A 185 14.562 0.116 6.360 1.00 0.51 H new