USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 930 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 57 TYR OH : rot 15:sc= -0.0134 USER MOD Set 1.2: A 97 GLN : amide:sc= -6.76! C(o=-6.9!,f=-9.2!) USER MOD Set 1.3: A 107 MET CE :methyl -151:sc= -0.159 (180deg=-1.55) USER MOD Set 2.1: A 93 TYR OH : rot -137:sc= 0.00563 USER MOD Set 2.2: A 112 GLN :FLIP amide:sc= -0.195 F(o=-0.78,f=-0.19) USER MOD Set 3.1: A 87 THR OG1 : rot 88:sc= 1.28 USER MOD Set 3.2: A 92 TYR OH : rot 180:sc= 1.05 USER MOD Set 4.1: A 30 LYS NZ :NH3+ 180:sc= 0.225 (180deg=0) USER MOD Set 4.2: A 82 GLN :FLIP amide:sc= 0.206 F(o=-0.65,f=0.43) USER MOD Set 5.1: A 26 THR OG1 : rot 99:sc= -0.0919 USER MOD Set 5.2: A 40 ASN : amide:sc= 0.15 X(o=0.058,f=0.027) USER MOD Single : A 1 GLY N :NH3+ 132:sc= 0.0233 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.523 X(o=-0.52,f=-0.5) USER MOD Single : A 12 THR OG1 : rot 43:sc= 1.08 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -140:sc= -0.317 (180deg=-1.4!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 173:sc= -0.368 (180deg=-0.396) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.183 K(o=0.18,f=-0.78) USER MOD Single : A 50 LYS NZ :NH3+ -152:sc= -0.246 (180deg=-1.13) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.025) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -4.05! C(o=-6!,f=-4!) USER MOD Single : A 77 ASN : amide:sc= 0.118 K(o=0.12,f=-5!) USER MOD Single : A 80 THR OG1 : rot -150:sc= -0.997 USER MOD Single : A 81 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-4.7!) USER MOD Single : A 84 GLN : amide:sc= -0.0939 K(o=-0.094,f=-2!) USER MOD Single : A 90 THR OG1 : rot 67:sc= 0.941 USER MOD Single : A 95 LYS NZ :NH3+ -140:sc= -0.0212 (180deg=-0.953) USER MOD Single : A 100 ASN : amide:sc= -6.21! C(o=-6.2!,f=-16!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -113:sc= -1.95! (180deg=-4.89!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot -81:sc= 0.197 USER MOD Single : A 115 THR OG1 : rot -132:sc= 0.551 USER MOD Single : A 117 LYS NZ :NH3+ -156:sc= -0.167 (180deg=-0.578) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.485 -26.072 -10.676 1.00 0.00 N ATOM 2 CA GLY A 1 -14.421 -26.268 -9.584 1.00 0.00 C ATOM 3 C GLY A 1 -15.634 -25.364 -9.691 1.00 0.00 C ATOM 4 O GLY A 1 -15.534 -24.235 -10.172 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.522 -25.975 -10.295 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.523 -26.890 -11.317 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.739 -25.210 -11.200 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.747 -27.308 -9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.914 -26.081 -8.637 1.00 0.00 H new ATOM 8 N SER A 2 -16.782 -25.861 -9.242 1.00 0.00 N ATOM 9 CA SER A 2 -18.020 -25.092 -9.294 1.00 0.00 C ATOM 10 C SER A 2 -18.841 -25.299 -8.025 1.00 0.00 C ATOM 11 O SER A 2 -18.842 -26.384 -7.443 1.00 0.00 O ATOM 12 CB SER A 2 -18.843 -25.494 -10.519 1.00 0.00 C ATOM 13 OG SER A 2 -19.895 -24.573 -10.750 1.00 0.00 O ATOM 0 H SER A 2 -16.881 -26.792 -8.838 1.00 0.00 H new ATOM 0 HA SER A 2 -17.761 -24.036 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.197 -25.541 -11.396 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.255 -26.493 -10.373 1.00 0.00 H new ATOM 0 HG SER A 2 -20.405 -24.851 -11.539 1.00 0.00 H new ATOM 19 N SER A 3 -19.540 -24.250 -7.602 1.00 0.00 N ATOM 20 CA SER A 3 -20.363 -24.314 -6.400 1.00 0.00 C ATOM 21 C SER A 3 -21.715 -23.646 -6.631 1.00 0.00 C ATOM 22 O SER A 3 -21.819 -22.672 -7.376 1.00 0.00 O ATOM 23 CB SER A 3 -19.644 -23.644 -5.228 1.00 0.00 C ATOM 24 OG SER A 3 -19.224 -22.334 -5.568 1.00 0.00 O ATOM 0 H SER A 3 -19.553 -23.346 -8.074 1.00 0.00 H new ATOM 0 HA SER A 3 -20.532 -25.364 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.309 -23.604 -4.365 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.780 -24.242 -4.937 1.00 0.00 H new ATOM 0 HG SER A 3 -18.769 -21.927 -4.801 1.00 0.00 H new ATOM 30 N GLY A 4 -22.749 -24.177 -5.987 1.00 0.00 N ATOM 31 CA GLY A 4 -24.081 -23.621 -6.135 1.00 0.00 C ATOM 32 C GLY A 4 -25.116 -24.367 -5.316 1.00 0.00 C ATOM 33 O GLY A 4 -25.999 -25.022 -5.868 1.00 0.00 O ATOM 0 H GLY A 4 -22.688 -24.983 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.070 -22.574 -5.833 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.367 -23.647 -7.186 1.00 0.00 H new ATOM 37 N SER A 5 -25.005 -24.270 -3.995 1.00 0.00 N ATOM 38 CA SER A 5 -25.935 -24.946 -3.098 1.00 0.00 C ATOM 39 C SER A 5 -27.297 -24.258 -3.108 1.00 0.00 C ATOM 40 O SER A 5 -27.461 -23.190 -3.699 1.00 0.00 O ATOM 41 CB SER A 5 -25.375 -24.973 -1.674 1.00 0.00 C ATOM 42 OG SER A 5 -24.519 -26.086 -1.484 1.00 0.00 O ATOM 0 H SER A 5 -24.280 -23.730 -3.522 1.00 0.00 H new ATOM 0 HA SER A 5 -26.062 -25.970 -3.450 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.827 -24.051 -1.478 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.196 -25.015 -0.958 1.00 0.00 H new ATOM 0 HG SER A 5 -24.173 -26.080 -0.567 1.00 0.00 H new ATOM 48 N SER A 6 -28.271 -24.878 -2.450 1.00 0.00 N ATOM 49 CA SER A 6 -29.620 -24.329 -2.386 1.00 0.00 C ATOM 50 C SER A 6 -30.069 -24.157 -0.938 1.00 0.00 C ATOM 51 O SER A 6 -29.701 -24.943 -0.065 1.00 0.00 O ATOM 52 CB SER A 6 -30.600 -25.238 -3.131 1.00 0.00 C ATOM 53 OG SER A 6 -30.637 -24.923 -4.512 1.00 0.00 O ATOM 0 H SER A 6 -28.151 -25.761 -1.954 1.00 0.00 H new ATOM 0 HA SER A 6 -29.609 -23.349 -2.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 -30.307 -26.280 -3.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.597 -25.131 -2.703 1.00 0.00 H new ATOM 0 HG SER A 6 -31.269 -25.518 -4.967 1.00 0.00 H new ATOM 59 N GLY A 7 -30.866 -23.123 -0.690 1.00 0.00 N ATOM 60 CA GLY A 7 -31.352 -22.866 0.653 1.00 0.00 C ATOM 61 C GLY A 7 -30.804 -21.576 1.231 1.00 0.00 C ATOM 62 O GLY A 7 -29.903 -20.963 0.658 1.00 0.00 O ATOM 0 H GLY A 7 -31.184 -22.458 -1.395 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -32.441 -22.821 0.640 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -31.076 -23.697 1.301 1.00 0.00 H new ATOM 66 N THR A 8 -31.349 -21.161 2.371 1.00 0.00 N ATOM 67 CA THR A 8 -30.910 -19.935 3.025 1.00 0.00 C ATOM 68 C THR A 8 -29.410 -19.727 2.855 1.00 0.00 C ATOM 69 O THR A 8 -28.630 -20.675 2.933 1.00 0.00 O ATOM 70 CB THR A 8 -31.248 -19.949 4.528 1.00 0.00 C ATOM 71 OG1 THR A 8 -30.852 -18.712 5.131 1.00 0.00 O ATOM 72 CG2 THR A 8 -30.552 -21.107 5.228 1.00 0.00 C ATOM 0 H THR A 8 -32.095 -21.656 2.860 1.00 0.00 H new ATOM 0 HA THR A 8 -31.444 -19.113 2.547 1.00 0.00 H new ATOM 0 HB THR A 8 -32.325 -20.075 4.635 1.00 0.00 H new ATOM 0 HG1 THR A 8 -31.072 -18.728 6.086 1.00 0.00 H new ATOM 0 HG21 THR A 8 -30.805 -21.097 6.288 1.00 0.00 H new ATOM 0 HG22 THR A 8 -30.878 -22.048 4.786 1.00 0.00 H new ATOM 0 HG23 THR A 8 -29.473 -21.007 5.112 1.00 0.00 H new ATOM 80 N ALA A 9 -29.013 -18.480 2.624 1.00 0.00 N ATOM 81 CA ALA A 9 -27.605 -18.148 2.445 1.00 0.00 C ATOM 82 C ALA A 9 -27.184 -17.022 3.384 1.00 0.00 C ATOM 83 O ALA A 9 -28.003 -16.481 4.128 1.00 0.00 O ATOM 84 CB ALA A 9 -27.333 -17.761 0.999 1.00 0.00 C ATOM 0 H ALA A 9 -29.646 -17.683 2.556 1.00 0.00 H new ATOM 0 HA ALA A 9 -27.015 -19.031 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -26.278 -17.516 0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -27.587 -18.595 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -27.939 -16.894 0.734 1.00 0.00 H new ATOM 90 N HIS A 10 -25.901 -16.673 3.345 1.00 0.00 N ATOM 91 CA HIS A 10 -25.372 -15.611 4.192 1.00 0.00 C ATOM 92 C HIS A 10 -24.312 -14.802 3.451 1.00 0.00 C ATOM 93 O HIS A 10 -23.789 -15.237 2.426 1.00 0.00 O ATOM 94 CB HIS A 10 -24.777 -16.200 5.472 1.00 0.00 C ATOM 95 CG HIS A 10 -24.445 -15.170 6.507 1.00 0.00 C ATOM 96 ND1 HIS A 10 -23.172 -14.986 7.005 1.00 0.00 N ATOM 97 CD2 HIS A 10 -25.228 -14.263 7.137 1.00 0.00 C ATOM 98 CE1 HIS A 10 -23.188 -14.013 7.898 1.00 0.00 C ATOM 99 NE2 HIS A 10 -24.423 -13.557 7.997 1.00 0.00 N ATOM 0 H HIS A 10 -25.210 -17.111 2.736 1.00 0.00 H new ATOM 0 HA HIS A 10 -26.195 -14.946 4.454 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -25.483 -16.915 5.896 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -23.873 -16.755 5.221 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -26.289 -14.121 6.991 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -22.335 -13.652 8.453 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -24.729 -12.803 8.612 1.00 0.00 H new ATOM 108 N GLY A 11 -24.001 -13.621 3.976 1.00 0.00 N ATOM 109 CA GLY A 11 -23.006 -12.769 3.350 1.00 0.00 C ATOM 110 C GLY A 11 -23.623 -11.747 2.417 1.00 0.00 C ATOM 111 O GLY A 11 -24.535 -11.013 2.801 1.00 0.00 O ATOM 0 H GLY A 11 -24.420 -13.239 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -22.436 -12.253 4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -22.302 -13.387 2.793 1.00 0.00 H new ATOM 115 N THR A 12 -23.125 -11.695 1.185 1.00 0.00 N ATOM 116 CA THR A 12 -23.631 -10.753 0.195 1.00 0.00 C ATOM 117 C THR A 12 -25.085 -11.048 -0.153 1.00 0.00 C ATOM 118 O THR A 12 -25.376 -11.953 -0.936 1.00 0.00 O ATOM 119 CB THR A 12 -22.789 -10.788 -1.095 1.00 0.00 C ATOM 120 OG1 THR A 12 -22.859 -12.088 -1.690 1.00 0.00 O ATOM 121 CG2 THR A 12 -21.338 -10.435 -0.804 1.00 0.00 C ATOM 0 H THR A 12 -22.371 -12.295 0.849 1.00 0.00 H new ATOM 0 HA THR A 12 -23.561 -9.760 0.639 1.00 0.00 H new ATOM 0 HB THR A 12 -23.194 -10.050 -1.787 1.00 0.00 H new ATOM 0 HG1 THR A 12 -23.784 -12.412 -1.661 1.00 0.00 H new ATOM 0 HG21 THR A 12 -20.763 -10.466 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.286 -9.433 -0.378 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.924 -11.152 -0.095 1.00 0.00 H new ATOM 129 N THR A 13 -25.997 -10.279 0.434 1.00 0.00 N ATOM 130 CA THR A 13 -27.422 -10.459 0.187 1.00 0.00 C ATOM 131 C THR A 13 -27.988 -9.304 -0.631 1.00 0.00 C ATOM 132 O THR A 13 -28.713 -9.516 -1.604 1.00 0.00 O ATOM 133 CB THR A 13 -28.211 -10.574 1.505 1.00 0.00 C ATOM 134 OG1 THR A 13 -29.590 -10.842 1.229 1.00 0.00 O ATOM 135 CG2 THR A 13 -28.090 -9.297 2.321 1.00 0.00 C ATOM 0 H THR A 13 -25.774 -9.525 1.084 1.00 0.00 H new ATOM 0 HA THR A 13 -27.530 -11.387 -0.375 1.00 0.00 H new ATOM 0 HB THR A 13 -27.791 -11.397 2.084 1.00 0.00 H new ATOM 0 HG1 THR A 13 -30.084 -10.915 2.072 1.00 0.00 H new ATOM 0 HG21 THR A 13 -28.655 -9.402 3.247 1.00 0.00 H new ATOM 0 HG22 THR A 13 -27.041 -9.113 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 13 -28.486 -8.459 1.747 1.00 0.00 H new ATOM 143 N PHE A 14 -27.652 -8.082 -0.232 1.00 0.00 N ATOM 144 CA PHE A 14 -28.128 -6.892 -0.929 1.00 0.00 C ATOM 145 C PHE A 14 -26.993 -5.894 -1.138 1.00 0.00 C ATOM 146 O PHE A 14 -27.196 -4.683 -1.063 1.00 0.00 O ATOM 147 CB PHE A 14 -29.262 -6.233 -0.141 1.00 0.00 C ATOM 148 CG PHE A 14 -30.257 -5.517 -1.009 1.00 0.00 C ATOM 149 CD1 PHE A 14 -29.862 -4.931 -2.201 1.00 0.00 C ATOM 150 CD2 PHE A 14 -31.588 -5.429 -0.633 1.00 0.00 C ATOM 151 CE1 PHE A 14 -30.775 -4.272 -3.002 1.00 0.00 C ATOM 152 CE2 PHE A 14 -32.505 -4.770 -1.430 1.00 0.00 C ATOM 153 CZ PHE A 14 -32.098 -4.190 -2.615 1.00 0.00 C ATOM 0 H PHE A 14 -27.052 -7.889 0.570 1.00 0.00 H new ATOM 0 HA PHE A 14 -28.503 -7.199 -1.905 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -29.781 -6.995 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -28.836 -5.525 0.570 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -28.828 -4.990 -2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -31.912 -5.880 0.293 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -30.454 -3.822 -3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -33.540 -4.709 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 14 -32.813 -3.673 -3.238 1.00 0.00 H new ATOM 163 N GLU A 15 -25.798 -6.414 -1.401 1.00 0.00 N ATOM 164 CA GLU A 15 -24.630 -5.568 -1.620 1.00 0.00 C ATOM 165 C GLU A 15 -23.657 -6.226 -2.595 1.00 0.00 C ATOM 166 O GLU A 15 -23.413 -7.431 -2.528 1.00 0.00 O ATOM 167 CB GLU A 15 -23.924 -5.282 -0.293 1.00 0.00 C ATOM 168 CG GLU A 15 -24.457 -4.055 0.428 1.00 0.00 C ATOM 169 CD GLU A 15 -23.825 -3.860 1.792 1.00 0.00 C ATOM 170 OE1 GLU A 15 -24.316 -4.467 2.767 1.00 0.00 O ATOM 171 OE2 GLU A 15 -22.837 -3.100 1.885 1.00 0.00 O ATOM 0 H GLU A 15 -25.613 -7.415 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 15 -24.970 -4.627 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.028 -6.150 0.359 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.858 -5.149 -0.479 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -24.274 -3.171 -0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -25.537 -4.146 0.542 1.00 0.00 H new ATOM 178 N LEU A 16 -23.105 -5.426 -3.500 1.00 0.00 N ATOM 179 CA LEU A 16 -22.159 -5.929 -4.490 1.00 0.00 C ATOM 180 C LEU A 16 -20.778 -5.314 -4.285 1.00 0.00 C ATOM 181 O LEU A 16 -20.606 -4.099 -4.390 1.00 0.00 O ATOM 182 CB LEU A 16 -22.660 -5.626 -5.904 1.00 0.00 C ATOM 183 CG LEU A 16 -23.952 -6.328 -6.322 1.00 0.00 C ATOM 184 CD1 LEU A 16 -23.765 -7.837 -6.318 1.00 0.00 C ATOM 185 CD2 LEU A 16 -25.098 -5.929 -5.404 1.00 0.00 C ATOM 0 H LEU A 16 -23.296 -4.426 -3.569 1.00 0.00 H new ATOM 0 HA LEU A 16 -22.078 -7.009 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.810 -4.550 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.877 -5.898 -6.612 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.200 -6.015 -7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -24.695 -8.320 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -22.974 -8.107 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -23.492 -8.167 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -26.009 -6.439 -5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -24.858 -6.211 -4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.249 -4.851 -5.458 1.00 0.00 H new ATOM 197 N VAL A 17 -19.796 -6.161 -3.995 1.00 0.00 N ATOM 198 CA VAL A 17 -18.429 -5.702 -3.779 1.00 0.00 C ATOM 199 C VAL A 17 -17.909 -4.936 -4.990 1.00 0.00 C ATOM 200 O VAL A 17 -18.353 -5.136 -6.121 1.00 0.00 O ATOM 201 CB VAL A 17 -17.481 -6.880 -3.485 1.00 0.00 C ATOM 202 CG1 VAL A 17 -17.735 -7.434 -2.091 1.00 0.00 C ATOM 203 CG2 VAL A 17 -17.640 -7.967 -4.537 1.00 0.00 C ATOM 0 H VAL A 17 -19.922 -7.169 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.451 -5.038 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.454 -6.516 -3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.056 -8.265 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.566 -6.651 -1.352 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -18.765 -7.783 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -16.963 -8.791 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -18.668 -8.330 -4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.404 -7.559 -5.520 1.00 0.00 H new ATOM 213 N PRO A 18 -16.944 -4.035 -4.751 1.00 0.00 N ATOM 214 CA PRO A 18 -16.341 -3.220 -5.810 1.00 0.00 C ATOM 215 C PRO A 18 -15.472 -4.046 -6.753 1.00 0.00 C ATOM 216 O PRO A 18 -14.306 -4.316 -6.463 1.00 0.00 O ATOM 217 CB PRO A 18 -15.485 -2.213 -5.038 1.00 0.00 C ATOM 218 CG PRO A 18 -15.171 -2.891 -3.750 1.00 0.00 C ATOM 219 CD PRO A 18 -16.367 -3.744 -3.428 1.00 0.00 C ATOM 0 HA PRO A 18 -17.094 -2.759 -6.449 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.576 -1.964 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.024 -1.280 -4.873 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.271 -3.499 -3.839 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.987 -2.163 -2.960 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.081 -4.656 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.075 -3.218 -2.788 1.00 0.00 H new ATOM 227 N THR A 19 -16.047 -4.445 -7.883 1.00 0.00 N ATOM 228 CA THR A 19 -15.326 -5.240 -8.868 1.00 0.00 C ATOM 229 C THR A 19 -14.477 -4.355 -9.774 1.00 0.00 C ATOM 230 O THR A 19 -14.076 -4.768 -10.862 1.00 0.00 O ATOM 231 CB THR A 19 -16.291 -6.068 -9.738 1.00 0.00 C ATOM 232 OG1 THR A 19 -17.053 -5.202 -10.586 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.231 -6.891 -8.869 1.00 0.00 C ATOM 0 H THR A 19 -17.011 -4.230 -8.138 1.00 0.00 H new ATOM 0 HA THR A 19 -14.677 -5.917 -8.313 1.00 0.00 H new ATOM 0 HB THR A 19 -15.700 -6.747 -10.352 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.662 -5.737 -11.137 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.903 -7.467 -9.505 1.00 0.00 H new ATOM 0 HG22 THR A 19 -16.649 -7.570 -8.246 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.815 -6.226 -8.233 1.00 0.00 H new ATOM 241 N SER A 20 -14.205 -3.137 -9.317 1.00 0.00 N ATOM 242 CA SER A 20 -13.405 -2.193 -10.089 1.00 0.00 C ATOM 243 C SER A 20 -12.195 -1.723 -9.286 1.00 0.00 C ATOM 244 O SER A 20 -12.301 -1.349 -8.118 1.00 0.00 O ATOM 245 CB SER A 20 -14.255 -0.990 -10.502 1.00 0.00 C ATOM 246 OG SER A 20 -13.596 -0.214 -11.487 1.00 0.00 O ATOM 0 H SER A 20 -14.526 -2.781 -8.417 1.00 0.00 H new ATOM 0 HA SER A 20 -13.050 -2.703 -10.985 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.215 -1.334 -10.888 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.465 -0.372 -9.629 1.00 0.00 H new ATOM 0 HG SER A 20 -14.161 0.548 -11.735 1.00 0.00 H new ATOM 252 N PRO A 21 -11.017 -1.742 -9.927 1.00 0.00 N ATOM 253 CA PRO A 21 -9.764 -1.321 -9.293 1.00 0.00 C ATOM 254 C PRO A 21 -9.717 0.183 -9.046 1.00 0.00 C ATOM 255 O PRO A 21 -10.490 0.955 -9.613 1.00 0.00 O ATOM 256 CB PRO A 21 -8.697 -1.730 -10.311 1.00 0.00 C ATOM 257 CG PRO A 21 -9.408 -1.746 -11.620 1.00 0.00 C ATOM 258 CD PRO A 21 -10.818 -2.176 -11.320 1.00 0.00 C ATOM 0 HA PRO A 21 -9.631 -1.774 -8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.867 -1.023 -10.320 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.280 -2.709 -10.075 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.391 -0.760 -12.085 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.929 -2.435 -12.316 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.534 -1.705 -11.994 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.941 -3.254 -11.427 1.00 0.00 H new ATOM 266 N PRO A 22 -8.787 0.612 -8.180 1.00 0.00 N ATOM 267 CA PRO A 22 -8.615 2.027 -7.839 1.00 0.00 C ATOM 268 C PRO A 22 -8.049 2.839 -8.999 1.00 0.00 C ATOM 269 O PRO A 22 -7.711 2.289 -10.048 1.00 0.00 O ATOM 270 CB PRO A 22 -7.622 1.994 -6.675 1.00 0.00 C ATOM 271 CG PRO A 22 -6.862 0.726 -6.862 1.00 0.00 C ATOM 272 CD PRO A 22 -7.830 -0.252 -7.467 1.00 0.00 C ATOM 0 HA PRO A 22 -9.564 2.505 -7.594 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.960 2.859 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.137 2.009 -5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.003 0.879 -7.515 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.478 0.357 -5.911 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.331 -0.944 -8.145 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.323 -0.854 -6.704 1.00 0.00 H new ATOM 280 N LYS A 23 -7.949 4.149 -8.805 1.00 0.00 N ATOM 281 CA LYS A 23 -7.422 5.037 -9.835 1.00 0.00 C ATOM 282 C LYS A 23 -6.363 5.972 -9.258 1.00 0.00 C ATOM 283 O LYS A 23 -6.085 5.945 -8.059 1.00 0.00 O ATOM 284 CB LYS A 23 -8.554 5.856 -10.459 1.00 0.00 C ATOM 285 CG LYS A 23 -9.763 5.024 -10.849 1.00 0.00 C ATOM 286 CD LYS A 23 -10.670 5.774 -11.811 1.00 0.00 C ATOM 287 CE LYS A 23 -10.258 5.546 -13.257 1.00 0.00 C ATOM 288 NZ LYS A 23 -9.165 6.468 -13.675 1.00 0.00 N ATOM 0 H LYS A 23 -8.226 4.620 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.958 4.422 -10.606 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.866 6.626 -9.753 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.176 6.369 -11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.432 4.094 -11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.324 4.754 -9.954 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.701 5.449 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.639 6.840 -11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.930 4.514 -13.383 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.121 5.688 -13.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.341 6.797 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.135 7.285 -13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.255 5.966 -13.639 1.00 0.00 H new ATOM 302 N ASP A 24 -5.777 6.797 -10.118 1.00 0.00 N ATOM 303 CA ASP A 24 -4.751 7.742 -9.693 1.00 0.00 C ATOM 304 C ASP A 24 -3.668 7.038 -8.880 1.00 0.00 C ATOM 305 O ASP A 24 -3.144 7.593 -7.914 1.00 0.00 O ATOM 306 CB ASP A 24 -5.374 8.869 -8.868 1.00 0.00 C ATOM 307 CG ASP A 24 -4.496 10.103 -8.818 1.00 0.00 C ATOM 308 OD1 ASP A 24 -3.935 10.476 -9.869 1.00 0.00 O ATOM 309 OD2 ASP A 24 -4.372 10.698 -7.727 1.00 0.00 O ATOM 0 H ASP A 24 -5.995 6.831 -11.114 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.292 8.168 -10.585 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.343 9.133 -9.292 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.556 8.515 -7.853 1.00 0.00 H new ATOM 314 N VAL A 25 -3.339 5.813 -9.277 1.00 0.00 N ATOM 315 CA VAL A 25 -2.320 5.034 -8.585 1.00 0.00 C ATOM 316 C VAL A 25 -0.936 5.646 -8.776 1.00 0.00 C ATOM 317 O VAL A 25 -0.334 5.528 -9.844 1.00 0.00 O ATOM 318 CB VAL A 25 -2.296 3.575 -9.080 1.00 0.00 C ATOM 319 CG1 VAL A 25 -1.174 2.801 -8.407 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.640 2.907 -8.832 1.00 0.00 C ATOM 0 H VAL A 25 -3.763 5.339 -10.074 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.577 5.047 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.109 3.577 -10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.173 1.773 -8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.218 3.269 -8.641 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.326 2.805 -7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.606 1.877 -9.188 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.859 2.915 -7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.420 3.449 -9.366 1.00 0.00 H new ATOM 330 N THR A 26 -0.436 6.301 -7.733 1.00 0.00 N ATOM 331 CA THR A 26 0.876 6.933 -7.785 1.00 0.00 C ATOM 332 C THR A 26 1.698 6.596 -6.546 1.00 0.00 C ATOM 333 O THR A 26 1.154 6.428 -5.455 1.00 0.00 O ATOM 334 CB THR A 26 0.758 8.464 -7.909 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.164 8.964 -6.934 1.00 0.00 O ATOM 336 CG2 THR A 26 0.295 8.860 -9.302 1.00 0.00 C ATOM 0 H THR A 26 -0.920 6.408 -6.842 1.00 0.00 H new ATOM 0 HA THR A 26 1.380 6.543 -8.669 1.00 0.00 H new ATOM 0 HB THR A 26 1.743 8.898 -7.734 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.331 9.308 -6.162 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.219 9.946 -9.365 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.014 8.503 -10.040 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.680 8.416 -9.501 1.00 0.00 H new ATOM 344 N VAL A 27 3.012 6.500 -6.722 1.00 0.00 N ATOM 345 CA VAL A 27 3.910 6.186 -5.617 1.00 0.00 C ATOM 346 C VAL A 27 5.023 7.221 -5.501 1.00 0.00 C ATOM 347 O VAL A 27 5.903 7.302 -6.358 1.00 0.00 O ATOM 348 CB VAL A 27 4.539 4.790 -5.785 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.389 4.437 -4.574 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.458 3.743 -6.011 1.00 0.00 C ATOM 0 H VAL A 27 3.478 6.635 -7.619 1.00 0.00 H new ATOM 0 HA VAL A 27 3.309 6.200 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 27 5.187 4.806 -6.661 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.825 3.447 -4.711 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.186 5.172 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.766 4.438 -3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.920 2.763 -6.128 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.783 3.727 -5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.896 3.989 -6.912 1.00 0.00 H new ATOM 360 N VAL A 28 4.978 8.013 -4.434 1.00 0.00 N ATOM 361 CA VAL A 28 5.983 9.044 -4.204 1.00 0.00 C ATOM 362 C VAL A 28 6.844 8.711 -2.990 1.00 0.00 C ATOM 363 O VAL A 28 6.505 7.831 -2.199 1.00 0.00 O ATOM 364 CB VAL A 28 5.333 10.425 -3.995 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.446 10.781 -5.178 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.542 10.450 -2.697 1.00 0.00 C ATOM 0 H VAL A 28 4.256 7.960 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 28 6.612 9.077 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 28 6.123 11.173 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.995 11.760 -5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.046 10.806 -6.088 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.661 10.032 -5.282 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.090 11.433 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.759 9.692 -2.733 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.209 10.243 -1.860 1.00 0.00 H new ATOM 376 N SER A 29 7.958 9.421 -2.850 1.00 0.00 N ATOM 377 CA SER A 29 8.871 9.199 -1.734 1.00 0.00 C ATOM 378 C SER A 29 8.852 10.383 -0.773 1.00 0.00 C ATOM 379 O SER A 29 8.330 11.451 -1.094 1.00 0.00 O ATOM 380 CB SER A 29 10.293 8.967 -2.248 1.00 0.00 C ATOM 381 OG SER A 29 10.811 10.136 -2.858 1.00 0.00 O ATOM 0 H SER A 29 8.251 10.155 -3.495 1.00 0.00 H new ATOM 0 HA SER A 29 8.538 8.311 -1.196 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.938 8.668 -1.422 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.294 8.147 -2.966 1.00 0.00 H new ATOM 0 HG SER A 29 11.721 9.963 -3.177 1.00 0.00 H new ATOM 387 N LYS A 30 9.425 10.187 0.410 1.00 0.00 N ATOM 388 CA LYS A 30 9.477 11.237 1.420 1.00 0.00 C ATOM 389 C LYS A 30 10.846 11.909 1.436 1.00 0.00 C ATOM 390 O LYS A 30 11.876 11.241 1.347 1.00 0.00 O ATOM 391 CB LYS A 30 9.163 10.660 2.802 1.00 0.00 C ATOM 392 CG LYS A 30 8.853 11.718 3.846 1.00 0.00 C ATOM 393 CD LYS A 30 8.007 11.155 4.977 1.00 0.00 C ATOM 394 CE LYS A 30 7.633 12.232 5.983 1.00 0.00 C ATOM 395 NZ LYS A 30 7.091 11.650 7.242 1.00 0.00 N ATOM 0 H LYS A 30 9.860 9.309 0.693 1.00 0.00 H new ATOM 0 HA LYS A 30 8.727 11.987 1.168 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.313 9.983 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.012 10.066 3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.784 12.116 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.328 12.550 3.377 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.101 10.708 4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.555 10.359 5.481 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.511 12.837 6.211 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.892 12.899 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.848 12.416 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.239 11.093 7.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.807 11.033 7.676 1.00 0.00 H new ATOM 409 N GLU A 31 10.849 13.233 1.551 1.00 0.00 N ATOM 410 CA GLU A 31 12.093 13.994 1.580 1.00 0.00 C ATOM 411 C GLU A 31 12.862 13.731 2.872 1.00 0.00 C ATOM 412 O GLU A 31 13.977 13.213 2.849 1.00 0.00 O ATOM 413 CB GLU A 31 11.805 15.490 1.441 1.00 0.00 C ATOM 414 CG GLU A 31 13.056 16.340 1.297 1.00 0.00 C ATOM 415 CD GLU A 31 12.744 17.812 1.106 1.00 0.00 C ATOM 416 OE1 GLU A 31 11.975 18.139 0.178 1.00 0.00 O ATOM 417 OE2 GLU A 31 13.267 18.636 1.885 1.00 0.00 O ATOM 0 H GLU A 31 10.005 13.801 1.626 1.00 0.00 H new ATOM 0 HA GLU A 31 12.707 13.670 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.166 15.649 0.572 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.246 15.826 2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.678 16.217 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.637 15.983 0.447 1.00 0.00 H new ATOM 424 N GLY A 32 12.256 14.093 3.999 1.00 0.00 N ATOM 425 CA GLY A 32 12.898 13.890 5.284 1.00 0.00 C ATOM 426 C GLY A 32 13.528 12.517 5.407 1.00 0.00 C ATOM 427 O GLY A 32 14.597 12.366 5.999 1.00 0.00 O ATOM 0 H GLY A 32 11.332 14.523 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.664 14.652 5.428 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.163 14.022 6.078 1.00 0.00 H new ATOM 431 N LYS A 33 12.864 11.511 4.848 1.00 0.00 N ATOM 432 CA LYS A 33 13.365 10.142 4.897 1.00 0.00 C ATOM 433 C LYS A 33 13.205 9.456 3.544 1.00 0.00 C ATOM 434 O LYS A 33 12.130 9.459 2.943 1.00 0.00 O ATOM 435 CB LYS A 33 12.627 9.346 5.975 1.00 0.00 C ATOM 436 CG LYS A 33 13.528 8.412 6.765 1.00 0.00 C ATOM 437 CD LYS A 33 13.692 7.072 6.067 1.00 0.00 C ATOM 438 CE LYS A 33 14.747 6.214 6.748 1.00 0.00 C ATOM 439 NZ LYS A 33 16.127 6.670 6.423 1.00 0.00 N ATOM 0 H LYS A 33 11.977 11.618 4.355 1.00 0.00 H new ATOM 0 HA LYS A 33 14.426 10.178 5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.146 10.041 6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.835 8.763 5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.505 8.875 6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 33 13.110 8.256 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.739 6.544 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.970 7.235 5.026 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.599 6.245 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.625 5.176 6.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 16.812 6.138 6.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.318 6.506 5.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.215 7.685 6.631 1.00 0.00 H new ATOM 453 N PRO A 34 14.297 8.851 3.053 1.00 0.00 N ATOM 454 CA PRO A 34 14.301 8.147 1.767 1.00 0.00 C ATOM 455 C PRO A 34 13.487 6.859 1.809 1.00 0.00 C ATOM 456 O PRO A 34 12.645 6.616 0.943 1.00 0.00 O ATOM 457 CB PRO A 34 15.782 7.836 1.538 1.00 0.00 C ATOM 458 CG PRO A 34 16.377 7.800 2.904 1.00 0.00 C ATOM 459 CD PRO A 34 15.611 8.807 3.716 1.00 0.00 C ATOM 0 HA PRO A 34 13.849 8.743 0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 34 15.912 6.883 1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.256 8.599 0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.295 6.804 3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.438 8.048 2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 34 15.525 8.501 4.759 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.097 9.782 3.709 1.00 0.00 H new ATOM 467 N LYS A 35 13.741 6.035 2.820 1.00 0.00 N ATOM 468 CA LYS A 35 13.031 4.772 2.976 1.00 0.00 C ATOM 469 C LYS A 35 11.522 4.994 2.990 1.00 0.00 C ATOM 470 O LYS A 35 10.766 4.238 2.379 1.00 0.00 O ATOM 471 CB LYS A 35 13.466 4.074 4.266 1.00 0.00 C ATOM 472 CG LYS A 35 14.953 3.768 4.320 1.00 0.00 C ATOM 473 CD LYS A 35 15.278 2.773 5.422 1.00 0.00 C ATOM 474 CE LYS A 35 16.761 2.777 5.757 1.00 0.00 C ATOM 475 NZ LYS A 35 17.546 1.930 4.816 1.00 0.00 N ATOM 0 H LYS A 35 14.435 6.220 3.545 1.00 0.00 H new ATOM 0 HA LYS A 35 13.280 4.137 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.202 4.703 5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.908 3.144 4.372 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.278 3.368 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.509 4.690 4.486 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.702 3.016 6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.977 1.773 5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.137 3.799 5.725 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.904 2.416 6.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.552 1.960 5.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.204 0.949 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.431 2.289 3.847 1.00 0.00 H new ATOM 489 N THR A 36 11.089 6.038 3.690 1.00 0.00 N ATOM 490 CA THR A 36 9.670 6.360 3.783 1.00 0.00 C ATOM 491 C THR A 36 9.120 6.814 2.436 1.00 0.00 C ATOM 492 O THR A 36 9.736 7.626 1.745 1.00 0.00 O ATOM 493 CB THR A 36 9.412 7.462 4.828 1.00 0.00 C ATOM 494 OG1 THR A 36 10.166 7.197 6.017 1.00 0.00 O ATOM 495 CG2 THR A 36 7.932 7.549 5.169 1.00 0.00 C ATOM 0 H THR A 36 11.700 6.675 4.201 1.00 0.00 H new ATOM 0 HA THR A 36 9.158 5.449 4.093 1.00 0.00 H new ATOM 0 HB THR A 36 9.727 8.415 4.403 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.998 7.903 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.775 8.334 5.909 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.364 7.780 4.268 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.595 6.595 5.575 1.00 0.00 H new ATOM 503 N ILE A 37 7.957 6.286 2.069 1.00 0.00 N ATOM 504 CA ILE A 37 7.324 6.639 0.805 1.00 0.00 C ATOM 505 C ILE A 37 5.816 6.800 0.972 1.00 0.00 C ATOM 506 O ILE A 37 5.202 6.150 1.818 1.00 0.00 O ATOM 507 CB ILE A 37 7.598 5.579 -0.278 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.026 4.224 0.146 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.092 5.469 -0.544 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.611 3.352 -1.018 1.00 0.00 C ATOM 0 H ILE A 37 7.434 5.613 2.629 1.00 0.00 H new ATOM 0 HA ILE A 37 7.757 7.589 0.490 1.00 0.00 H new ATOM 0 HB ILE A 37 7.105 5.887 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.771 3.694 0.739 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.163 4.389 0.792 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.270 4.716 -1.312 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.473 6.432 -0.885 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.605 5.180 0.374 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.215 2.408 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.843 3.862 -1.599 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.476 3.156 -1.652 1.00 0.00 H new ATOM 522 N ILE A 38 5.226 7.669 0.158 1.00 0.00 N ATOM 523 CA ILE A 38 3.790 7.913 0.213 1.00 0.00 C ATOM 524 C ILE A 38 3.108 7.475 -1.078 1.00 0.00 C ATOM 525 O ILE A 38 3.460 7.934 -2.165 1.00 0.00 O ATOM 526 CB ILE A 38 3.481 9.400 0.465 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.201 9.887 1.725 1.00 0.00 C ATOM 528 CG2 ILE A 38 1.981 9.616 0.589 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.663 10.202 1.502 1.00 0.00 C ATOM 0 H ILE A 38 5.720 8.216 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 38 3.402 7.324 1.044 1.00 0.00 H new ATOM 0 HB ILE A 38 3.843 9.980 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.698 10.779 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.116 9.125 2.500 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.779 10.672 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.491 9.303 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.596 9.028 1.422 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.109 10.541 2.437 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.180 9.306 1.157 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.756 10.986 0.751 1.00 0.00 H new ATOM 541 N VAL A 39 2.128 6.586 -0.952 1.00 0.00 N ATOM 542 CA VAL A 39 1.394 6.088 -2.109 1.00 0.00 C ATOM 543 C VAL A 39 -0.009 6.682 -2.166 1.00 0.00 C ATOM 544 O VAL A 39 -0.835 6.434 -1.288 1.00 0.00 O ATOM 545 CB VAL A 39 1.289 4.551 -2.088 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.454 4.057 -3.260 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.674 3.923 -2.107 1.00 0.00 C ATOM 0 H VAL A 39 1.824 6.196 -0.060 1.00 0.00 H new ATOM 0 HA VAL A 39 1.952 6.394 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 39 0.791 4.250 -1.166 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.391 2.969 -3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.548 4.481 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.920 4.367 -4.195 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.581 2.837 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.200 4.230 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.235 4.252 -1.232 1.00 0.00 H new ATOM 557 N ASN A 40 -0.272 7.467 -3.206 1.00 0.00 N ATOM 558 CA ASN A 40 -1.576 8.096 -3.378 1.00 0.00 C ATOM 559 C ASN A 40 -2.448 7.289 -4.336 1.00 0.00 C ATOM 560 O ASN A 40 -1.950 6.452 -5.088 1.00 0.00 O ATOM 561 CB ASN A 40 -1.411 9.524 -3.902 1.00 0.00 C ATOM 562 CG ASN A 40 -0.097 10.149 -3.473 1.00 0.00 C ATOM 563 OD1 ASN A 40 0.891 10.110 -4.206 1.00 0.00 O ATOM 564 ND2 ASN A 40 -0.081 10.729 -2.278 1.00 0.00 N ATOM 0 H ASN A 40 0.401 7.682 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 40 -2.068 8.127 -2.406 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.469 9.518 -4.990 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.237 10.138 -3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.774 11.166 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.924 10.738 -1.704 1.00 0.00 H new ATOM 571 N TRP A 41 -3.750 7.548 -4.302 1.00 0.00 N ATOM 572 CA TRP A 41 -4.691 6.846 -5.167 1.00 0.00 C ATOM 573 C TRP A 41 -6.097 7.416 -5.017 1.00 0.00 C ATOM 574 O TRP A 41 -6.307 8.392 -4.297 1.00 0.00 O ATOM 575 CB TRP A 41 -4.696 5.351 -4.844 1.00 0.00 C ATOM 576 CG TRP A 41 -5.250 5.039 -3.487 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.568 4.923 -3.146 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.502 4.804 -2.289 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.684 4.631 -1.809 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.431 4.551 -1.260 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.138 4.780 -1.985 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.038 4.280 0.047 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.750 4.511 -0.686 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.696 4.264 0.317 1.00 0.00 C ATOM 0 H TRP A 41 -4.178 8.238 -3.685 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.371 6.986 -6.199 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.283 4.826 -5.598 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.677 4.969 -4.909 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.397 5.043 -3.828 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.561 4.496 -1.306 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.401 4.968 -2.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.766 4.089 0.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.699 4.491 -0.440 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.360 4.057 1.322 1.00 0.00 H new ATOM 595 N GLN A 42 -7.057 6.800 -5.700 1.00 0.00 N ATOM 596 CA GLN A 42 -8.443 7.247 -5.641 1.00 0.00 C ATOM 597 C GLN A 42 -9.402 6.069 -5.774 1.00 0.00 C ATOM 598 O GLN A 42 -9.053 5.009 -6.295 1.00 0.00 O ATOM 599 CB GLN A 42 -8.718 8.270 -6.745 1.00 0.00 C ATOM 600 CG GLN A 42 -8.248 9.675 -6.403 1.00 0.00 C ATOM 601 CD GLN A 42 -9.073 10.749 -7.084 1.00 0.00 C ATOM 602 OE1 GLN A 42 -9.092 10.848 -8.311 1.00 0.00 O ATOM 603 NE2 GLN A 42 -9.761 11.560 -6.290 1.00 0.00 N ATOM 0 H GLN A 42 -6.900 5.990 -6.300 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.606 7.716 -4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.226 7.944 -7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.789 8.293 -6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.295 9.817 -5.323 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.203 9.785 -6.694 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -9.716 11.442 -5.278 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.335 12.301 -6.692 1.00 0.00 H new ATOM 612 N PRO A 43 -10.640 6.255 -5.292 1.00 0.00 N ATOM 613 CA PRO A 43 -11.674 5.217 -5.346 1.00 0.00 C ATOM 614 C PRO A 43 -12.161 4.957 -6.768 1.00 0.00 C ATOM 615 O PRO A 43 -12.123 5.833 -7.632 1.00 0.00 O ATOM 616 CB PRO A 43 -12.804 5.799 -4.492 1.00 0.00 C ATOM 617 CG PRO A 43 -12.609 7.274 -4.560 1.00 0.00 C ATOM 618 CD PRO A 43 -11.125 7.492 -4.658 1.00 0.00 C ATOM 0 HA PRO A 43 -11.305 4.255 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.781 5.511 -4.879 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.749 5.439 -3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -13.123 7.696 -5.423 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.018 7.763 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.887 8.371 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.675 7.644 -3.677 1.00 0.00 H new ATOM 626 N PRO A 44 -12.630 3.726 -7.017 1.00 0.00 N ATOM 627 CA PRO A 44 -13.134 3.323 -8.334 1.00 0.00 C ATOM 628 C PRO A 44 -14.454 4.002 -8.682 1.00 0.00 C ATOM 629 O PRO A 44 -15.372 4.052 -7.863 1.00 0.00 O ATOM 630 CB PRO A 44 -13.332 1.812 -8.190 1.00 0.00 C ATOM 631 CG PRO A 44 -13.540 1.594 -6.731 1.00 0.00 C ATOM 632 CD PRO A 44 -12.705 2.632 -6.034 1.00 0.00 C ATOM 0 HA PRO A 44 -12.450 3.603 -9.135 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.190 1.468 -8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.463 1.263 -8.552 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.592 1.698 -6.467 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.236 0.589 -6.439 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.166 2.960 -5.102 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.716 2.249 -5.782 1.00 0.00 H new ATOM 640 N SER A 45 -14.543 4.523 -9.901 1.00 0.00 N ATOM 641 CA SER A 45 -15.750 5.203 -10.356 1.00 0.00 C ATOM 642 C SER A 45 -16.994 4.387 -10.017 1.00 0.00 C ATOM 643 O SER A 45 -18.027 4.939 -9.641 1.00 0.00 O ATOM 644 CB SER A 45 -15.684 5.450 -11.865 1.00 0.00 C ATOM 645 OG SER A 45 -14.882 6.580 -12.162 1.00 0.00 O ATOM 0 H SER A 45 -13.793 4.487 -10.592 1.00 0.00 H new ATOM 0 HA SER A 45 -15.813 6.161 -9.840 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.277 4.570 -12.363 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.690 5.601 -12.256 1.00 0.00 H new ATOM 0 HG SER A 45 -14.854 6.716 -13.132 1.00 0.00 H new ATOM 651 N GLU A 46 -16.884 3.069 -10.153 1.00 0.00 N ATOM 652 CA GLU A 46 -18.000 2.177 -9.862 1.00 0.00 C ATOM 653 C GLU A 46 -17.977 1.735 -8.401 1.00 0.00 C ATOM 654 O GLU A 46 -17.325 0.752 -8.049 1.00 0.00 O ATOM 655 CB GLU A 46 -17.954 0.951 -10.777 1.00 0.00 C ATOM 656 CG GLU A 46 -18.170 1.280 -12.245 1.00 0.00 C ATOM 657 CD GLU A 46 -17.998 0.071 -13.144 1.00 0.00 C ATOM 658 OE1 GLU A 46 -17.133 -0.777 -12.839 1.00 0.00 O ATOM 659 OE2 GLU A 46 -18.727 -0.027 -14.153 1.00 0.00 O ATOM 0 H GLU A 46 -16.035 2.596 -10.462 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.925 2.724 -10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.989 0.458 -10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.715 0.240 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -19.172 1.688 -12.379 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -17.467 2.056 -12.547 1.00 0.00 H new ATOM 666 N ALA A 47 -18.692 2.470 -7.556 1.00 0.00 N ATOM 667 CA ALA A 47 -18.755 2.154 -6.134 1.00 0.00 C ATOM 668 C ALA A 47 -20.065 1.457 -5.784 1.00 0.00 C ATOM 669 O ALA A 47 -20.888 1.995 -5.045 1.00 0.00 O ATOM 670 CB ALA A 47 -18.591 3.420 -5.305 1.00 0.00 C ATOM 0 H ALA A 47 -19.236 3.288 -7.831 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.937 1.471 -5.902 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -18.640 3.170 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.626 3.877 -5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.389 4.121 -5.550 1.00 0.00 H new ATOM 676 N ASN A 48 -20.252 0.255 -6.321 1.00 0.00 N ATOM 677 CA ASN A 48 -21.463 -0.516 -6.066 1.00 0.00 C ATOM 678 C ASN A 48 -21.950 -0.306 -4.636 1.00 0.00 C ATOM 679 O ASN A 48 -23.149 -0.184 -4.389 1.00 0.00 O ATOM 680 CB ASN A 48 -21.208 -2.003 -6.317 1.00 0.00 C ATOM 681 CG ASN A 48 -20.821 -2.289 -7.755 1.00 0.00 C ATOM 682 OD1 ASN A 48 -21.200 -1.556 -8.669 1.00 0.00 O ATOM 683 ND2 ASN A 48 -20.063 -3.359 -7.963 1.00 0.00 N ATOM 0 H ASN A 48 -19.580 -0.206 -6.935 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.237 -0.167 -6.749 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.415 -2.350 -5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.104 -2.570 -6.065 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.772 -3.601 -8.910 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.772 -3.939 -7.176 1.00 0.00 H new ATOM 690 N GLY A 49 -21.011 -0.266 -3.696 1.00 0.00 N ATOM 691 CA GLY A 49 -21.364 -0.071 -2.302 1.00 0.00 C ATOM 692 C GLY A 49 -20.607 1.080 -1.668 1.00 0.00 C ATOM 693 O GLY A 49 -20.366 2.103 -2.309 1.00 0.00 O ATOM 0 H GLY A 49 -20.012 -0.365 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.435 0.116 -2.224 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.159 -0.986 -1.747 1.00 0.00 H new ATOM 697 N LYS A 50 -20.232 0.914 -0.404 1.00 0.00 N ATOM 698 CA LYS A 50 -19.499 1.947 0.319 1.00 0.00 C ATOM 699 C LYS A 50 -18.090 1.474 0.662 1.00 0.00 C ATOM 700 O LYS A 50 -17.907 0.385 1.208 1.00 0.00 O ATOM 701 CB LYS A 50 -20.246 2.331 1.598 1.00 0.00 C ATOM 702 CG LYS A 50 -20.116 1.304 2.710 1.00 0.00 C ATOM 703 CD LYS A 50 -21.335 1.307 3.617 1.00 0.00 C ATOM 704 CE LYS A 50 -22.436 0.408 3.074 1.00 0.00 C ATOM 705 NZ LYS A 50 -23.343 1.139 2.147 1.00 0.00 N ATOM 0 H LYS A 50 -20.424 0.074 0.141 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.423 2.823 -0.326 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.870 3.290 1.955 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -21.302 2.470 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.986 0.312 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.223 1.515 3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.049 0.972 4.614 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.712 2.325 3.719 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.989 -0.438 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -23.015 0.002 3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -24.287 0.703 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -23.414 2.134 2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -22.963 1.092 1.180 1.00 0.00 H new ATOM 719 N ILE A 51 -17.099 2.298 0.341 1.00 0.00 N ATOM 720 CA ILE A 51 -15.708 1.965 0.619 1.00 0.00 C ATOM 721 C ILE A 51 -15.357 2.238 2.078 1.00 0.00 C ATOM 722 O ILE A 51 -15.291 3.390 2.507 1.00 0.00 O ATOM 723 CB ILE A 51 -14.747 2.759 -0.285 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.224 2.711 -1.739 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.333 2.210 -0.168 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.112 1.340 -2.366 1.00 0.00 C ATOM 0 H ILE A 51 -17.234 3.202 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.592 0.901 0.413 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.740 3.799 0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.263 3.038 -1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.641 3.420 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.666 2.782 -0.813 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.996 2.291 0.865 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.323 1.163 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.467 1.381 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.071 1.018 -2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.717 0.631 -1.801 1.00 0.00 H new ATOM 738 N THR A 52 -15.132 1.170 2.837 1.00 0.00 N ATOM 739 CA THR A 52 -14.787 1.294 4.248 1.00 0.00 C ATOM 740 C THR A 52 -13.294 1.538 4.429 1.00 0.00 C ATOM 741 O THR A 52 -12.881 2.305 5.298 1.00 0.00 O ATOM 742 CB THR A 52 -15.190 0.034 5.037 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.465 -1.101 4.550 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.685 -0.224 4.919 1.00 0.00 C ATOM 0 H THR A 52 -15.183 0.209 2.498 1.00 0.00 H new ATOM 0 HA THR A 52 -15.341 2.149 4.636 1.00 0.00 H new ATOM 0 HB THR A 52 -14.948 0.197 6.087 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.725 -1.898 5.058 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.946 -1.119 5.484 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.234 0.629 5.317 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.948 -0.368 3.871 1.00 0.00 H new ATOM 752 N GLY A 53 -12.486 0.880 3.603 1.00 0.00 N ATOM 753 CA GLY A 53 -11.046 1.040 3.689 1.00 0.00 C ATOM 754 C GLY A 53 -10.329 0.499 2.468 1.00 0.00 C ATOM 755 O GLY A 53 -10.965 0.075 1.503 1.00 0.00 O ATOM 0 H GLY A 53 -12.803 0.239 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.807 2.097 3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.679 0.528 4.579 1.00 0.00 H new ATOM 759 N TYR A 54 -9.001 0.514 2.509 1.00 0.00 N ATOM 760 CA TYR A 54 -8.197 0.025 1.396 1.00 0.00 C ATOM 761 C TYR A 54 -7.005 -0.784 1.899 1.00 0.00 C ATOM 762 O TYR A 54 -6.475 -0.523 2.979 1.00 0.00 O ATOM 763 CB TYR A 54 -7.708 1.195 0.540 1.00 0.00 C ATOM 764 CG TYR A 54 -8.735 2.292 0.371 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.021 3.169 1.409 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.418 2.451 -0.829 1.00 0.00 C ATOM 767 CE1 TYR A 54 -9.959 4.172 1.259 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.356 3.453 -0.988 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.624 4.310 0.059 1.00 0.00 C ATOM 770 OH TYR A 54 -11.557 5.309 -0.095 1.00 0.00 O ATOM 0 H TYR A 54 -8.459 0.860 3.301 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.824 -0.626 0.787 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.810 1.616 0.993 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.423 0.821 -0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.501 3.065 2.350 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.212 1.781 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.170 4.844 2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.877 3.565 -1.928 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.932 5.269 -0.999 1.00 0.00 H new ATOM 780 N ILE A 55 -6.590 -1.767 1.108 1.00 0.00 N ATOM 781 CA ILE A 55 -5.460 -2.614 1.471 1.00 0.00 C ATOM 782 C ILE A 55 -4.336 -2.501 0.446 1.00 0.00 C ATOM 783 O ILE A 55 -4.585 -2.448 -0.759 1.00 0.00 O ATOM 784 CB ILE A 55 -5.880 -4.091 1.594 1.00 0.00 C ATOM 785 CG1 ILE A 55 -7.073 -4.227 2.543 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.711 -4.935 2.080 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.755 -5.575 2.467 1.00 0.00 C ATOM 0 H ILE A 55 -7.019 -1.997 0.212 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.102 -2.264 2.439 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.179 -4.452 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.735 -4.057 3.565 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.800 -3.448 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.023 -5.976 2.162 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.887 -4.858 1.371 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.384 -4.576 3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.591 -5.600 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.124 -5.740 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.042 -6.358 2.725 1.00 0.00 H new ATOM 799 N ILE A 56 -3.101 -2.466 0.933 1.00 0.00 N ATOM 800 CA ILE A 56 -1.938 -2.363 0.060 1.00 0.00 C ATOM 801 C ILE A 56 -1.028 -3.577 0.209 1.00 0.00 C ATOM 802 O ILE A 56 -0.723 -4.004 1.323 1.00 0.00 O ATOM 803 CB ILE A 56 -1.126 -1.088 0.352 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.999 0.154 0.163 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.100 -1.022 -0.547 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.355 1.428 0.664 1.00 0.00 C ATOM 0 H ILE A 56 -2.879 -2.507 1.928 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.315 -2.318 -0.962 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.791 -1.119 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.232 0.266 -0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.945 0.006 0.684 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.663 -0.115 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.730 -1.893 -0.367 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.214 -1.011 -1.591 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.031 2.267 0.498 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.147 1.336 1.730 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.423 1.600 0.126 1.00 0.00 H new ATOM 818 N TYR A 57 -0.597 -4.129 -0.920 1.00 0.00 N ATOM 819 CA TYR A 57 0.278 -5.295 -0.915 1.00 0.00 C ATOM 820 C TYR A 57 1.605 -4.983 -1.600 1.00 0.00 C ATOM 821 O TYR A 57 1.634 -4.444 -2.707 1.00 0.00 O ATOM 822 CB TYR A 57 -0.404 -6.473 -1.613 1.00 0.00 C ATOM 823 CG TYR A 57 -1.812 -6.731 -1.128 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.051 -7.526 -0.014 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.906 -6.178 -1.784 1.00 0.00 C ATOM 826 CE1 TYR A 57 -3.336 -7.765 0.432 1.00 0.00 C ATOM 827 CE2 TYR A 57 -4.195 -6.411 -1.345 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.405 -7.205 -0.237 1.00 0.00 C ATOM 829 OH TYR A 57 -5.687 -7.439 0.205 1.00 0.00 O ATOM 0 H TYR A 57 -0.839 -3.788 -1.850 1.00 0.00 H new ATOM 0 HA TYR A 57 0.479 -5.562 0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.427 -6.285 -2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.194 -7.371 -1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.217 -7.965 0.513 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.745 -5.555 -2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.503 -8.387 1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -5.034 -5.974 -1.867 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.658 -7.807 1.113 1.00 0.00 H new ATOM 839 N TYR A 58 2.702 -5.326 -0.934 1.00 0.00 N ATOM 840 CA TYR A 58 4.033 -5.081 -1.476 1.00 0.00 C ATOM 841 C TYR A 58 5.011 -6.163 -1.027 1.00 0.00 C ATOM 842 O TYR A 58 4.889 -6.710 0.069 1.00 0.00 O ATOM 843 CB TYR A 58 4.540 -3.706 -1.038 1.00 0.00 C ATOM 844 CG TYR A 58 5.018 -3.665 0.396 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.164 -4.346 0.787 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.323 -2.944 1.359 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.603 -4.311 2.097 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.756 -2.902 2.671 1.00 0.00 C ATOM 849 CZ TYR A 58 5.896 -3.588 3.034 1.00 0.00 C ATOM 850 OH TYR A 58 6.331 -3.550 4.339 1.00 0.00 O ATOM 0 H TYR A 58 2.696 -5.775 -0.018 1.00 0.00 H new ATOM 0 HA TYR A 58 3.965 -5.106 -2.564 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.357 -3.404 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.741 -2.976 -1.167 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.721 -4.912 0.055 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.429 -2.407 1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.495 -4.847 2.385 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.205 -2.336 3.407 1.00 0.00 H new ATOM 0 HH TYR A 58 5.722 -2.996 4.871 1.00 0.00 H new ATOM 860 N SER A 59 5.983 -6.465 -1.882 1.00 0.00 N ATOM 861 CA SER A 59 6.981 -7.483 -1.576 1.00 0.00 C ATOM 862 C SER A 59 8.058 -7.529 -2.656 1.00 0.00 C ATOM 863 O SER A 59 7.757 -7.557 -3.850 1.00 0.00 O ATOM 864 CB SER A 59 6.317 -8.855 -1.443 1.00 0.00 C ATOM 865 OG SER A 59 7.287 -9.882 -1.335 1.00 0.00 O ATOM 0 H SER A 59 6.100 -6.019 -2.792 1.00 0.00 H new ATOM 0 HA SER A 59 7.452 -7.222 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.671 -8.866 -0.565 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.681 -9.040 -2.309 1.00 0.00 H new ATOM 0 HG SER A 59 6.838 -10.749 -1.249 1.00 0.00 H new ATOM 871 N THR A 60 9.317 -7.537 -2.228 1.00 0.00 N ATOM 872 CA THR A 60 10.439 -7.579 -3.156 1.00 0.00 C ATOM 873 C THR A 60 10.184 -8.573 -4.284 1.00 0.00 C ATOM 874 O THR A 60 10.598 -8.354 -5.422 1.00 0.00 O ATOM 875 CB THR A 60 11.748 -7.960 -2.438 1.00 0.00 C ATOM 876 OG1 THR A 60 11.600 -9.230 -1.792 1.00 0.00 O ATOM 877 CG2 THR A 60 12.130 -6.904 -1.412 1.00 0.00 C ATOM 0 H THR A 60 9.584 -7.515 -1.244 1.00 0.00 H new ATOM 0 HA THR A 60 10.540 -6.577 -3.574 1.00 0.00 H new ATOM 0 HB THR A 60 12.541 -8.022 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.436 -9.466 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 60 13.057 -7.195 -0.918 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.270 -5.945 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.337 -6.814 -0.670 1.00 0.00 H new ATOM 885 N ASP A 61 9.499 -9.664 -3.960 1.00 0.00 N ATOM 886 CA ASP A 61 9.186 -10.691 -4.948 1.00 0.00 C ATOM 887 C ASP A 61 7.836 -10.420 -5.604 1.00 0.00 C ATOM 888 O ASP A 61 6.842 -10.168 -4.923 1.00 0.00 O ATOM 889 CB ASP A 61 9.181 -12.073 -4.293 1.00 0.00 C ATOM 890 CG ASP A 61 8.897 -13.183 -5.286 1.00 0.00 C ATOM 891 OD1 ASP A 61 8.691 -12.874 -6.478 1.00 0.00 O ATOM 892 OD2 ASP A 61 8.881 -14.361 -4.871 1.00 0.00 O ATOM 0 H ASP A 61 9.150 -9.860 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 61 9.956 -10.666 -5.719 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.147 -12.251 -3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.430 -12.095 -3.503 1.00 0.00 H new ATOM 897 N VAL A 62 7.808 -10.473 -6.932 1.00 0.00 N ATOM 898 CA VAL A 62 6.581 -10.234 -7.681 1.00 0.00 C ATOM 899 C VAL A 62 5.878 -11.544 -8.018 1.00 0.00 C ATOM 900 O VAL A 62 4.665 -11.576 -8.218 1.00 0.00 O ATOM 901 CB VAL A 62 6.860 -9.464 -8.986 1.00 0.00 C ATOM 902 CG1 VAL A 62 7.793 -10.259 -9.886 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.558 -9.143 -9.704 1.00 0.00 C ATOM 0 H VAL A 62 8.622 -10.680 -7.511 1.00 0.00 H new ATOM 0 HA VAL A 62 5.934 -9.631 -7.043 1.00 0.00 H new ATOM 0 HB VAL A 62 7.351 -8.524 -8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.979 -9.699 -10.803 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.737 -10.432 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.333 -11.216 -10.132 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.774 -8.599 -10.624 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.037 -10.070 -9.945 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.928 -8.530 -9.059 1.00 0.00 H new ATOM 913 N ASN A 63 6.650 -12.624 -8.079 1.00 0.00 N ATOM 914 CA ASN A 63 6.102 -13.939 -8.392 1.00 0.00 C ATOM 915 C ASN A 63 5.570 -14.620 -7.134 1.00 0.00 C ATOM 916 O ASN A 63 4.818 -15.591 -7.212 1.00 0.00 O ATOM 917 CB ASN A 63 7.169 -14.817 -9.048 1.00 0.00 C ATOM 918 CG ASN A 63 8.018 -14.048 -10.042 1.00 0.00 C ATOM 919 OD1 ASN A 63 9.226 -13.899 -9.859 1.00 0.00 O ATOM 920 ND2 ASN A 63 7.388 -13.556 -11.103 1.00 0.00 N ATOM 0 H ASN A 63 7.657 -12.615 -7.916 1.00 0.00 H new ATOM 0 HA ASN A 63 5.275 -13.804 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.812 -15.241 -8.276 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.687 -15.652 -9.556 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.907 -13.031 -11.806 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.385 -13.704 -11.214 1.00 0.00 H new ATOM 927 N ALA A 64 5.966 -14.103 -5.975 1.00 0.00 N ATOM 928 CA ALA A 64 5.528 -14.659 -4.701 1.00 0.00 C ATOM 929 C ALA A 64 4.007 -14.722 -4.624 1.00 0.00 C ATOM 930 O ALA A 64 3.312 -13.900 -5.220 1.00 0.00 O ATOM 931 CB ALA A 64 6.084 -13.837 -3.548 1.00 0.00 C ATOM 0 H ALA A 64 6.589 -13.300 -5.893 1.00 0.00 H new ATOM 0 HA ALA A 64 5.911 -15.676 -4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.749 -14.263 -2.602 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.173 -13.848 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.729 -12.810 -3.629 1.00 0.00 H new ATOM 937 N GLU A 65 3.496 -15.702 -3.885 1.00 0.00 N ATOM 938 CA GLU A 65 2.056 -15.872 -3.732 1.00 0.00 C ATOM 939 C GLU A 65 1.436 -14.659 -3.044 1.00 0.00 C ATOM 940 O GLU A 65 1.960 -14.162 -2.047 1.00 0.00 O ATOM 941 CB GLU A 65 1.751 -17.138 -2.929 1.00 0.00 C ATOM 942 CG GLU A 65 1.730 -18.402 -3.772 1.00 0.00 C ATOM 943 CD GLU A 65 3.116 -18.970 -4.009 1.00 0.00 C ATOM 944 OE1 GLU A 65 4.080 -18.178 -4.064 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.236 -20.206 -4.138 1.00 0.00 O ATOM 0 H GLU A 65 4.058 -16.390 -3.383 1.00 0.00 H new ATOM 0 HA GLU A 65 1.620 -15.968 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.498 -17.248 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.785 -17.023 -2.438 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.114 -19.153 -3.278 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.261 -18.186 -4.732 1.00 0.00 H new ATOM 952 N ILE A 66 0.317 -14.188 -3.584 1.00 0.00 N ATOM 953 CA ILE A 66 -0.375 -13.034 -3.023 1.00 0.00 C ATOM 954 C ILE A 66 -0.345 -13.063 -1.499 1.00 0.00 C ATOM 955 O ILE A 66 -0.386 -12.020 -0.846 1.00 0.00 O ATOM 956 CB ILE A 66 -1.840 -12.971 -3.496 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.487 -11.659 -3.048 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.620 -14.162 -2.961 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.916 -10.439 -3.736 1.00 0.00 C ATOM 0 H ILE A 66 -0.130 -14.588 -4.409 1.00 0.00 H new ATOM 0 HA ILE A 66 0.151 -12.147 -3.378 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.857 -13.009 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.559 -11.707 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.362 -11.551 -1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.653 -14.104 -3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.169 -15.085 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.598 -14.152 -1.871 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.421 -9.545 -3.370 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.850 -10.366 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.065 -10.525 -4.812 1.00 0.00 H new ATOM 971 N HIS A 67 -0.272 -14.266 -0.937 1.00 0.00 N ATOM 972 CA HIS A 67 -0.234 -14.432 0.512 1.00 0.00 C ATOM 973 C HIS A 67 1.082 -13.912 1.084 1.00 0.00 C ATOM 974 O HIS A 67 1.095 -13.204 2.091 1.00 0.00 O ATOM 975 CB HIS A 67 -0.419 -15.903 0.883 1.00 0.00 C ATOM 976 CG HIS A 67 0.868 -16.664 0.974 1.00 0.00 C ATOM 977 ND1 HIS A 67 1.934 -16.506 1.793 1.00 0.00 N flip ATOM 978 CD2 HIS A 67 1.170 -17.732 0.156 1.00 0.00 C flip ATOM 979 CE1 HIS A 67 2.851 -17.471 1.459 1.00 0.00 C flip ATOM 980 NE2 HIS A 67 2.366 -18.199 0.468 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.238 -15.139 -1.463 1.00 0.00 H new ATOM 0 HA HIS A 67 -1.051 -13.852 0.941 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.937 -15.965 1.840 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.061 -16.378 0.141 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.529 -18.126 -0.619 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.813 -17.613 1.929 1.00 0.00 H new ATOM 0 HE2 HIS A 67 2.835 -18.987 0.021 1.00 0.00 H new ATOM 989 N ASP A 68 2.185 -14.268 0.435 1.00 0.00 N ATOM 990 CA ASP A 68 3.506 -13.838 0.879 1.00 0.00 C ATOM 991 C ASP A 68 3.584 -12.316 0.956 1.00 0.00 C ATOM 992 O ASP A 68 4.398 -11.764 1.695 1.00 0.00 O ATOM 993 CB ASP A 68 4.583 -14.369 -0.067 1.00 0.00 C ATOM 994 CG ASP A 68 5.936 -14.492 0.606 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.193 -15.541 1.233 1.00 0.00 O ATOM 996 OD2 ASP A 68 6.737 -13.540 0.506 1.00 0.00 O ATOM 0 H ASP A 68 2.191 -14.853 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 68 3.677 -14.244 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 68 4.280 -15.344 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.667 -13.704 -0.927 1.00 0.00 H new ATOM 1001 N TRP A 69 2.733 -11.646 0.188 1.00 0.00 N ATOM 1002 CA TRP A 69 2.707 -10.188 0.168 1.00 0.00 C ATOM 1003 C TRP A 69 2.158 -9.636 1.479 1.00 0.00 C ATOM 1004 O TRP A 69 1.125 -10.091 1.972 1.00 0.00 O ATOM 1005 CB TRP A 69 1.861 -9.688 -1.004 1.00 0.00 C ATOM 1006 CG TRP A 69 2.447 -10.019 -2.343 1.00 0.00 C ATOM 1007 CD1 TRP A 69 2.873 -11.244 -2.771 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.673 -9.112 -3.428 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.350 -11.153 -4.056 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.238 -9.856 -4.482 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.452 -7.745 -3.612 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.584 -9.276 -5.700 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 2.796 -7.171 -4.820 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.356 -7.936 -5.852 1.00 0.00 C ATOM 0 H TRP A 69 2.052 -12.089 -0.429 1.00 0.00 H new ATOM 0 HA TRP A 69 3.730 -9.833 0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.864 -10.122 -0.934 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.744 -8.607 -0.924 1.00 0.00 H new ATOM 0 HD1 TRP A 69 2.840 -12.151 -2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 69 3.727 -11.926 -4.604 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.020 -7.147 -2.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.017 -9.863 -6.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.631 -6.115 -4.972 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.613 -7.458 -6.786 1.00 0.00 H new ATOM 1025 N VAL A 70 2.854 -8.652 2.040 1.00 0.00 N ATOM 1026 CA VAL A 70 2.435 -8.037 3.294 1.00 0.00 C ATOM 1027 C VAL A 70 1.100 -7.318 3.134 1.00 0.00 C ATOM 1028 O VAL A 70 0.805 -6.766 2.074 1.00 0.00 O ATOM 1029 CB VAL A 70 3.487 -7.036 3.807 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.556 -5.820 2.896 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.176 -6.624 5.238 1.00 0.00 C ATOM 0 H VAL A 70 3.711 -8.264 1.646 1.00 0.00 H new ATOM 0 HA VAL A 70 2.326 -8.842 4.021 1.00 0.00 H new ATOM 0 HB VAL A 70 4.462 -7.523 3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.305 -5.124 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.829 -6.135 1.889 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.583 -5.329 2.871 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.929 -5.917 5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.193 -6.155 5.276 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.183 -7.505 5.880 1.00 0.00 H new ATOM 1041 N ILE A 71 0.298 -7.328 4.193 1.00 0.00 N ATOM 1042 CA ILE A 71 -1.004 -6.675 4.170 1.00 0.00 C ATOM 1043 C ILE A 71 -0.969 -5.351 4.925 1.00 0.00 C ATOM 1044 O ILE A 71 -0.863 -5.327 6.151 1.00 0.00 O ATOM 1045 CB ILE A 71 -2.095 -7.573 4.783 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.177 -8.901 4.027 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.440 -6.862 4.764 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.853 -10.003 4.813 1.00 0.00 C ATOM 0 H ILE A 71 0.527 -7.781 5.078 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.244 -6.488 3.123 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.832 -7.782 5.820 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.719 -8.746 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.170 -9.221 3.761 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.200 -7.510 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.373 -5.941 5.342 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.712 -6.625 3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.876 -10.915 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.299 -10.186 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.872 -9.703 5.057 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.060 -4.251 4.185 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.039 -2.922 4.785 1.00 0.00 C ATOM 1062 C GLU A 72 -2.425 -2.285 4.745 1.00 0.00 C ATOM 1063 O GLU A 72 -2.757 -1.519 3.840 1.00 0.00 O ATOM 1064 CB GLU A 72 -0.032 -2.026 4.060 1.00 0.00 C ATOM 1065 CG GLU A 72 1.392 -2.176 4.569 1.00 0.00 C ATOM 1066 CD GLU A 72 1.494 -2.020 6.074 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.391 -0.873 6.559 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.676 -3.043 6.766 1.00 0.00 O ATOM 0 H GLU A 72 -1.149 -4.254 3.169 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.736 -3.027 5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.054 -2.256 2.995 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.340 -0.986 4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.775 -3.155 4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.026 -1.432 4.087 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.254 -2.608 5.748 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.617 -2.079 5.851 1.00 0.00 C ATOM 1077 C PRO A 73 -4.637 -0.590 6.182 1.00 0.00 C ATOM 1078 O PRO A 73 -3.946 -0.138 7.095 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.227 -2.890 6.996 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.062 -3.315 7.822 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.924 -3.514 6.861 1.00 0.00 C ATOM 0 HA PRO A 73 -5.161 -2.168 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.927 -2.290 7.578 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.781 -3.750 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.816 -2.559 8.567 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.282 -4.236 8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.966 -3.260 7.315 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.855 -4.550 6.529 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.435 0.167 5.436 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.547 1.604 5.651 1.00 0.00 C ATOM 1091 C VAL A 74 -6.879 1.960 6.302 1.00 0.00 C ATOM 1092 O VAL A 74 -7.933 1.875 5.671 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.409 2.383 4.330 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.554 3.877 4.572 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.078 2.069 3.664 1.00 0.00 C ATOM 0 H VAL A 74 -6.014 -0.192 4.677 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.733 1.888 6.317 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.209 2.070 3.659 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.453 4.410 3.627 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.534 4.082 5.002 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.778 4.211 5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.997 2.628 2.732 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.262 2.353 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.020 1.001 3.453 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.825 2.361 7.568 1.00 0.00 N ATOM 1106 CA VAL A 75 -8.027 2.732 8.304 1.00 0.00 C ATOM 1107 C VAL A 75 -8.679 3.973 7.704 1.00 0.00 C ATOM 1108 O VAL A 75 -8.026 4.759 7.019 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.717 2.997 9.789 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -7.194 1.735 10.459 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.719 4.137 9.929 1.00 0.00 C ATOM 0 H VAL A 75 -5.961 2.437 8.105 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.716 1.890 8.228 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.641 3.289 10.289 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.980 1.942 11.508 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.945 0.948 10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.281 1.410 9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.511 4.311 10.985 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.794 3.876 9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.136 5.042 9.487 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.971 4.142 7.966 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.690 5.289 7.444 1.00 0.00 C ATOM 1123 C GLY A 76 -10.675 5.343 5.929 1.00 0.00 C ATOM 1124 O GLY A 76 -10.122 4.459 5.276 1.00 0.00 O ATOM 0 H GLY A 76 -10.533 3.505 8.531 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.722 5.256 7.793 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.248 6.203 7.841 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.286 6.382 5.369 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.343 6.546 3.921 1.00 0.00 C ATOM 1130 C ASN A 77 -10.095 7.255 3.404 1.00 0.00 C ATOM 1131 O ASN A 77 -10.180 8.152 2.566 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.592 7.335 3.525 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.684 8.669 4.240 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -11.866 8.980 5.105 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -13.685 9.465 3.880 1.00 0.00 N ATOM 0 H ASN A 77 -11.749 7.123 5.896 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.389 5.555 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.586 7.503 2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.479 6.743 3.751 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.798 10.375 4.326 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.340 9.166 3.158 1.00 0.00 H new ATOM 1142 N ARG A 78 -8.936 6.845 3.911 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.670 7.442 3.501 1.00 0.00 C ATOM 1144 C ARG A 78 -7.272 6.968 2.107 1.00 0.00 C ATOM 1145 O ARG A 78 -7.396 5.786 1.782 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.569 7.092 4.504 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.493 8.159 4.624 1.00 0.00 C ATOM 1148 CD ARG A 78 -5.801 9.137 5.748 1.00 0.00 C ATOM 1149 NE ARG A 78 -4.721 10.099 5.948 1.00 0.00 N ATOM 1150 CZ ARG A 78 -4.738 11.039 6.886 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -5.775 11.143 7.705 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -3.717 11.878 7.005 1.00 0.00 N ATOM 0 H ARG A 78 -8.848 6.103 4.605 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.798 8.524 3.475 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.019 6.930 5.483 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.105 6.151 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.528 7.686 4.806 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.409 8.701 3.682 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.724 9.670 5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.970 8.585 6.672 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.909 10.046 5.333 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.562 10.500 7.616 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.786 11.866 8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.918 11.801 6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.731 12.600 7.726 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.793 7.896 1.286 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.377 7.574 -0.074 1.00 0.00 C ATOM 1168 C LEU A 79 -4.856 7.570 -0.191 1.00 0.00 C ATOM 1169 O LEU A 79 -4.306 7.467 -1.289 1.00 0.00 O ATOM 1170 CB LEU A 79 -6.973 8.578 -1.062 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.499 8.629 -1.129 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -8.958 9.801 -1.982 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.053 7.321 -1.676 1.00 0.00 C ATOM 0 H LEU A 79 -6.683 8.878 1.539 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.744 6.576 -0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.607 9.572 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.593 8.347 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.883 8.770 -0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.047 9.820 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.592 10.732 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.564 9.692 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.141 7.375 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.660 7.151 -2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.755 6.499 -1.025 1.00 0.00 H new ATOM 1185 N THR A 80 -4.179 7.679 0.948 1.00 0.00 N ATOM 1186 CA THR A 80 -2.722 7.687 0.973 1.00 0.00 C ATOM 1187 C THR A 80 -2.187 6.809 2.099 1.00 0.00 C ATOM 1188 O THR A 80 -2.864 6.592 3.105 1.00 0.00 O ATOM 1189 CB THR A 80 -2.171 9.115 1.145 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.743 9.079 1.256 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.763 9.779 2.379 1.00 0.00 C ATOM 0 H THR A 80 -4.617 7.763 1.865 1.00 0.00 H new ATOM 0 HA THR A 80 -2.387 7.289 0.015 1.00 0.00 H new ATOM 0 HB THR A 80 -2.453 9.697 0.268 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.439 9.827 1.811 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.359 10.786 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.847 9.831 2.279 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.508 9.196 3.264 1.00 0.00 H new ATOM 1199 N HIS A 81 -0.969 6.307 1.925 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.343 5.453 2.928 1.00 0.00 C ATOM 1201 C HIS A 81 1.144 5.769 3.059 1.00 0.00 C ATOM 1202 O HIS A 81 1.786 6.184 2.095 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.533 3.980 2.564 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.464 3.059 3.743 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -1.199 3.253 4.894 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.256 1.930 3.944 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.932 2.285 5.753 1.00 0.00 C ATOM 1208 NE2 HIS A 81 -0.052 1.469 5.201 1.00 0.00 N ATOM 0 H HIS A 81 -0.396 6.477 1.099 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.824 5.648 3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.498 3.857 2.073 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.231 3.691 1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.944 1.476 3.246 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -1.360 2.179 6.739 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.336 0.633 5.637 1.00 0.00 H new ATOM 1217 N GLN A 82 1.682 5.571 4.258 1.00 0.00 N ATOM 1218 CA GLN A 82 3.093 5.837 4.515 1.00 0.00 C ATOM 1219 C GLN A 82 3.840 4.548 4.839 1.00 0.00 C ATOM 1220 O GLN A 82 3.710 4.004 5.936 1.00 0.00 O ATOM 1221 CB GLN A 82 3.244 6.833 5.666 1.00 0.00 C ATOM 1222 CG GLN A 82 3.274 8.284 5.216 1.00 0.00 C ATOM 1223 CD GLN A 82 3.659 9.234 6.334 1.00 0.00 C ATOM 1224 OE1 GLN A 82 4.592 10.136 6.049 1.00 0.00 O flip ATOM 1225 NE2 GLN A 82 3.125 9.158 7.440 1.00 0.00 N flip ATOM 0 H GLN A 82 1.163 5.228 5.066 1.00 0.00 H new ATOM 0 HA GLN A 82 3.526 6.268 3.612 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.419 6.695 6.365 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.163 6.611 6.209 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.981 8.391 4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.293 8.561 4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.413 8.449 7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.395 9.804 8.182 1.00 0.00 H new ATOM 1234 N ILE A 83 4.621 4.065 3.879 1.00 0.00 N ATOM 1235 CA ILE A 83 5.389 2.840 4.064 1.00 0.00 C ATOM 1236 C ILE A 83 6.874 3.142 4.232 1.00 0.00 C ATOM 1237 O ILE A 83 7.536 3.588 3.295 1.00 0.00 O ATOM 1238 CB ILE A 83 5.204 1.875 2.878 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.730 1.490 2.731 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.064 0.635 3.065 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.443 0.659 1.500 1.00 0.00 C ATOM 0 H ILE A 83 4.739 4.503 2.965 1.00 0.00 H new ATOM 0 HA ILE A 83 5.012 2.366 4.970 1.00 0.00 H new ATOM 0 HB ILE A 83 5.522 2.379 1.965 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.418 0.935 3.615 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.127 2.398 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.922 -0.037 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.113 0.925 3.126 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.774 0.127 3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.380 0.423 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.724 1.220 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.019 -0.266 1.543 1.00 0.00 H new ATOM 1253 N GLN A 84 7.391 2.894 5.431 1.00 0.00 N ATOM 1254 CA GLN A 84 8.798 3.139 5.721 1.00 0.00 C ATOM 1255 C GLN A 84 9.510 1.843 6.095 1.00 0.00 C ATOM 1256 O GLN A 84 8.919 0.765 6.052 1.00 0.00 O ATOM 1257 CB GLN A 84 8.938 4.157 6.855 1.00 0.00 C ATOM 1258 CG GLN A 84 8.126 3.807 8.091 1.00 0.00 C ATOM 1259 CD GLN A 84 8.712 4.392 9.360 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.774 5.015 9.337 1.00 0.00 O ATOM 1261 NE2 GLN A 84 8.023 4.194 10.477 1.00 0.00 N ATOM 0 H GLN A 84 6.856 2.524 6.217 1.00 0.00 H new ATOM 0 HA GLN A 84 9.263 3.542 4.821 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.989 4.237 7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.628 5.137 6.492 1.00 0.00 H new ATOM 0 HG2 GLN A 84 7.106 4.170 7.966 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.069 2.723 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 84 7.147 3.672 10.450 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.369 4.564 11.362 1.00 0.00 H new ATOM 1270 N GLU A 85 10.783 1.958 6.462 1.00 0.00 N ATOM 1271 CA GLU A 85 11.575 0.794 6.842 1.00 0.00 C ATOM 1272 C GLU A 85 11.729 -0.167 5.667 1.00 0.00 C ATOM 1273 O GLU A 85 11.514 -1.373 5.804 1.00 0.00 O ATOM 1274 CB GLU A 85 10.927 0.072 8.024 1.00 0.00 C ATOM 1275 CG GLU A 85 10.865 0.910 9.290 1.00 0.00 C ATOM 1276 CD GLU A 85 12.096 0.744 10.160 1.00 0.00 C ATOM 1277 OE1 GLU A 85 13.216 0.745 9.608 1.00 0.00 O ATOM 1278 OE2 GLU A 85 11.940 0.614 11.392 1.00 0.00 O ATOM 0 H GLU A 85 11.287 2.844 6.504 1.00 0.00 H new ATOM 0 HA GLU A 85 12.565 1.141 7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.916 -0.227 7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.484 -0.842 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.754 1.960 9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.980 0.632 9.862 1.00 0.00 H new ATOM 1285 N LEU A 86 12.101 0.374 4.512 1.00 0.00 N ATOM 1286 CA LEU A 86 12.283 -0.435 3.312 1.00 0.00 C ATOM 1287 C LEU A 86 13.718 -0.341 2.804 1.00 0.00 C ATOM 1288 O LEU A 86 14.491 0.509 3.248 1.00 0.00 O ATOM 1289 CB LEU A 86 11.313 0.015 2.218 1.00 0.00 C ATOM 1290 CG LEU A 86 9.845 0.131 2.629 1.00 0.00 C ATOM 1291 CD1 LEU A 86 9.083 1.007 1.646 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.207 -1.247 2.724 1.00 0.00 C ATOM 0 H LEU A 86 12.282 1.369 4.381 1.00 0.00 H new ATOM 0 HA LEU A 86 12.075 -1.474 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.643 0.984 1.844 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.383 -0.687 1.387 1.00 0.00 H new ATOM 0 HG LEU A 86 9.799 0.599 3.612 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.040 1.078 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.525 2.003 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.137 0.568 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.162 -1.145 3.018 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.265 -1.742 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.736 -1.843 3.468 1.00 0.00 H new ATOM 1304 N THR A 87 14.069 -1.218 1.869 1.00 0.00 N ATOM 1305 CA THR A 87 15.411 -1.234 1.300 1.00 0.00 C ATOM 1306 C THR A 87 15.572 -0.149 0.242 1.00 0.00 C ATOM 1307 O THR A 87 14.608 0.230 -0.425 1.00 0.00 O ATOM 1308 CB THR A 87 15.738 -2.602 0.671 1.00 0.00 C ATOM 1309 OG1 THR A 87 15.193 -3.654 1.475 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.242 -2.788 0.535 1.00 0.00 C ATOM 0 H THR A 87 13.442 -1.927 1.489 1.00 0.00 H new ATOM 0 HA THR A 87 16.104 -1.044 2.119 1.00 0.00 H new ATOM 0 HB THR A 87 15.291 -2.637 -0.323 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.273 -3.839 1.192 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.449 -3.761 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.650 -2.002 -0.101 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.706 -2.734 1.520 1.00 0.00 H new ATOM 1318 N LEU A 88 16.795 0.347 0.092 1.00 0.00 N ATOM 1319 CA LEU A 88 17.082 1.390 -0.888 1.00 0.00 C ATOM 1320 C LEU A 88 17.701 0.796 -2.149 1.00 0.00 C ATOM 1321 O LEU A 88 18.146 -0.352 -2.153 1.00 0.00 O ATOM 1322 CB LEU A 88 18.024 2.435 -0.287 1.00 0.00 C ATOM 1323 CG LEU A 88 17.565 3.080 1.021 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.733 3.757 1.721 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.447 4.078 0.759 1.00 0.00 C ATOM 0 H LEU A 88 17.603 0.045 0.635 1.00 0.00 H new ATOM 0 HA LEU A 88 16.142 1.870 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.993 1.966 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.176 3.224 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 88 17.181 2.297 1.675 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.387 4.210 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.503 3.018 1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.148 4.529 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.132 4.528 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.805 4.858 0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.601 3.565 0.302 1.00 0.00 H new ATOM 1337 N ASP A 89 17.727 1.585 -3.217 1.00 0.00 N ATOM 1338 CA ASP A 89 18.294 1.139 -4.484 1.00 0.00 C ATOM 1339 C ASP A 89 17.834 -0.277 -4.817 1.00 0.00 C ATOM 1340 O ASP A 89 18.629 -1.117 -5.239 1.00 0.00 O ATOM 1341 CB ASP A 89 19.822 1.193 -4.431 1.00 0.00 C ATOM 1342 CG ASP A 89 20.448 1.242 -5.811 1.00 0.00 C ATOM 1343 OD1 ASP A 89 19.816 0.745 -6.767 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.569 1.778 -5.935 1.00 0.00 O ATOM 0 H ASP A 89 17.362 2.537 -3.231 1.00 0.00 H new ATOM 0 HA ASP A 89 17.942 1.810 -5.267 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.132 2.070 -3.863 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.195 0.319 -3.897 1.00 0.00 H new ATOM 1349 N THR A 90 16.544 -0.536 -4.623 1.00 0.00 N ATOM 1350 CA THR A 90 15.978 -1.850 -4.900 1.00 0.00 C ATOM 1351 C THR A 90 14.570 -1.733 -5.472 1.00 0.00 C ATOM 1352 O THR A 90 13.750 -0.941 -5.008 1.00 0.00 O ATOM 1353 CB THR A 90 15.934 -2.721 -3.630 1.00 0.00 C ATOM 1354 OG1 THR A 90 17.254 -2.881 -3.099 1.00 0.00 O ATOM 1355 CG2 THR A 90 15.334 -4.086 -3.932 1.00 0.00 C ATOM 0 H THR A 90 15.872 0.148 -4.275 1.00 0.00 H new ATOM 0 HA THR A 90 16.627 -2.325 -5.636 1.00 0.00 H new ATOM 0 HB THR A 90 15.306 -2.220 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.580 -2.018 -2.769 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.313 -4.684 -3.021 1.00 0.00 H new ATOM 0 HG22 THR A 90 14.319 -3.962 -4.308 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.940 -4.592 -4.684 1.00 0.00 H new ATOM 1363 N PRO A 91 14.281 -2.539 -6.504 1.00 0.00 N ATOM 1364 CA PRO A 91 12.971 -2.545 -7.161 1.00 0.00 C ATOM 1365 C PRO A 91 11.879 -3.130 -6.271 1.00 0.00 C ATOM 1366 O PRO A 91 11.968 -4.277 -5.835 1.00 0.00 O ATOM 1367 CB PRO A 91 13.193 -3.433 -8.388 1.00 0.00 C ATOM 1368 CG PRO A 91 14.327 -4.323 -8.011 1.00 0.00 C ATOM 1369 CD PRO A 91 15.211 -3.508 -7.108 1.00 0.00 C ATOM 0 HA PRO A 91 12.632 -1.538 -7.403 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.299 -4.010 -8.626 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.433 -2.838 -9.269 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.968 -5.218 -7.502 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.872 -4.656 -8.894 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.693 -4.127 -6.352 1.00 0.00 H new ATOM 0 HD3 PRO A 91 16.004 -3.010 -7.665 1.00 0.00 H new ATOM 1377 N TYR A 92 10.849 -2.333 -6.006 1.00 0.00 N ATOM 1378 CA TYR A 92 9.740 -2.772 -5.167 1.00 0.00 C ATOM 1379 C TYR A 92 8.417 -2.680 -5.920 1.00 0.00 C ATOM 1380 O TYR A 92 8.194 -1.749 -6.695 1.00 0.00 O ATOM 1381 CB TYR A 92 9.674 -1.928 -3.892 1.00 0.00 C ATOM 1382 CG TYR A 92 10.490 -2.491 -2.751 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.879 -2.479 -2.791 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.873 -3.034 -1.631 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.629 -2.993 -1.751 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.614 -3.549 -0.585 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.992 -3.527 -0.650 1.00 0.00 C ATOM 1388 OH TYR A 92 12.735 -4.038 0.389 1.00 0.00 O ATOM 0 H TYR A 92 10.759 -1.381 -6.360 1.00 0.00 H new ATOM 0 HA TYR A 92 9.911 -3.814 -4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.024 -0.920 -4.115 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.634 -1.842 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.381 -2.060 -3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.795 -3.054 -1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.708 -2.977 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.118 -3.966 0.279 1.00 0.00 H new ATOM 0 HH TYR A 92 12.134 -4.374 1.087 1.00 0.00 H new ATOM 1398 N TYR A 93 7.542 -3.652 -5.687 1.00 0.00 N ATOM 1399 CA TYR A 93 6.241 -3.683 -6.344 1.00 0.00 C ATOM 1400 C TYR A 93 5.116 -3.478 -5.334 1.00 0.00 C ATOM 1401 O TYR A 93 5.018 -4.199 -4.340 1.00 0.00 O ATOM 1402 CB TYR A 93 6.048 -5.012 -7.076 1.00 0.00 C ATOM 1403 CG TYR A 93 7.282 -5.483 -7.811 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.238 -6.265 -7.175 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.493 -5.145 -9.143 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.367 -6.697 -7.843 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.619 -5.574 -9.819 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.553 -6.349 -9.165 1.00 0.00 C ATOM 1409 OH TYR A 93 10.677 -6.778 -9.834 1.00 0.00 O ATOM 0 H TYR A 93 7.710 -4.429 -5.048 1.00 0.00 H new ATOM 0 HA TYR A 93 6.208 -2.869 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.751 -5.774 -6.356 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.229 -4.910 -7.787 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.096 -6.540 -6.140 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.764 -4.537 -9.658 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.100 -7.304 -7.333 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.767 -5.304 -10.854 1.00 0.00 H new ATOM 0 HH TYR A 93 11.042 -6.041 -10.366 1.00 0.00 H new ATOM 1419 N PHE A 94 4.267 -2.490 -5.596 1.00 0.00 N ATOM 1420 CA PHE A 94 3.148 -2.188 -4.711 1.00 0.00 C ATOM 1421 C PHE A 94 1.817 -2.395 -5.428 1.00 0.00 C ATOM 1422 O PHE A 94 1.722 -2.236 -6.645 1.00 0.00 O ATOM 1423 CB PHE A 94 3.247 -0.749 -4.201 1.00 0.00 C ATOM 1424 CG PHE A 94 4.569 -0.427 -3.567 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.629 0.028 -4.334 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.754 -0.582 -2.202 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.847 0.325 -3.753 1.00 0.00 C ATOM 1428 CE2 PHE A 94 5.970 -0.286 -1.615 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.018 0.167 -2.392 1.00 0.00 C ATOM 0 H PHE A 94 4.333 -1.885 -6.414 1.00 0.00 H new ATOM 0 HA PHE A 94 3.194 -2.870 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.076 -0.065 -5.032 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.453 -0.574 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.502 0.152 -5.399 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.939 -0.938 -1.590 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.664 0.680 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.100 -0.409 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 94 7.970 0.397 -1.936 1.00 0.00 H new ATOM 1439 N LYS A 95 0.790 -2.753 -4.664 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.537 -2.982 -5.224 1.00 0.00 C ATOM 1441 C LYS A 95 -1.620 -2.438 -4.296 1.00 0.00 C ATOM 1442 O LYS A 95 -1.647 -2.755 -3.107 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.760 -4.477 -5.465 1.00 0.00 C ATOM 1444 CG LYS A 95 0.158 -5.066 -6.521 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.501 -6.227 -7.248 1.00 0.00 C ATOM 1446 CE LYS A 95 -0.221 -7.550 -6.553 1.00 0.00 C ATOM 1447 NZ LYS A 95 -1.190 -7.815 -5.454 1.00 0.00 N ATOM 0 H LYS A 95 0.851 -2.891 -3.655 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.599 -2.454 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.613 -5.013 -4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.795 -4.638 -5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 95 0.430 -4.293 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.082 -5.406 -6.053 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.577 -6.062 -7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.136 -6.269 -8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.267 -8.360 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.792 -7.541 -6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -0.690 -8.233 -4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -1.637 -6.922 -5.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.921 -8.475 -5.787 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.510 -1.621 -4.849 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.595 -1.037 -4.071 1.00 0.00 C ATOM 1463 C ILE A 96 -4.933 -1.676 -4.428 1.00 0.00 C ATOM 1464 O ILE A 96 -5.173 -2.033 -5.581 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.691 0.484 -4.293 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.400 1.169 -3.839 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -4.889 1.053 -3.548 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.186 2.530 -4.464 1.00 0.00 C ATOM 0 H ILE A 96 -2.501 -1.349 -5.832 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.371 -1.230 -3.022 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.826 0.674 -5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.416 1.275 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.553 0.528 -4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.944 2.129 -3.714 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.802 0.582 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.781 0.856 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.252 2.956 -4.097 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.137 2.429 -5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.014 3.187 -4.198 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.801 -1.816 -3.431 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.115 -2.411 -3.641 1.00 0.00 C ATOM 1482 C GLN A 97 -8.172 -1.707 -2.796 1.00 0.00 C ATOM 1483 O GLN A 97 -7.864 -1.127 -1.756 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.083 -3.902 -3.300 1.00 0.00 C ATOM 1485 CG GLN A 97 -7.032 -4.185 -1.808 1.00 0.00 C ATOM 1486 CD GLN A 97 -7.736 -5.474 -1.433 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.232 -5.621 -0.315 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -7.784 -6.416 -2.367 1.00 0.00 N ATOM 0 H GLN A 97 -5.618 -1.526 -2.471 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.377 -2.291 -4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.966 -4.381 -3.722 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.215 -4.357 -3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.991 -4.238 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.490 -3.356 -1.269 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.360 -6.251 -3.280 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.245 -7.305 -2.172 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.420 -1.762 -3.252 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.522 -1.132 -2.537 1.00 0.00 C ATOM 1499 C ALA A 98 -11.463 -2.177 -1.946 1.00 0.00 C ATOM 1500 O ALA A 98 -12.083 -2.951 -2.675 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.285 -0.197 -3.464 1.00 0.00 C ATOM 0 H ALA A 98 -9.692 -2.236 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.104 -0.551 -1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.106 0.267 -2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.612 0.577 -3.835 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.684 -0.764 -4.305 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.562 -2.194 -0.621 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.425 -3.146 0.068 1.00 0.00 C ATOM 1509 C ARG A 99 -13.542 -2.424 0.817 1.00 0.00 C ATOM 1510 O ARG A 99 -13.369 -1.292 1.268 1.00 0.00 O ATOM 1511 CB ARG A 99 -11.608 -3.994 1.044 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.277 -3.279 2.344 1.00 0.00 C ATOM 1513 CD ARG A 99 -10.848 -4.259 3.425 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.800 -3.633 4.743 1.00 0.00 N ATOM 1515 CZ ARG A 99 -11.846 -3.554 5.558 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -13.016 -4.060 5.192 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -11.724 -2.969 6.742 1.00 0.00 N ATOM 0 H ARG A 99 -11.056 -1.560 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.875 -3.798 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.161 -4.905 1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -10.680 -4.297 0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.480 -2.556 2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.148 -2.718 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -11.541 -5.100 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.866 -4.663 3.179 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.915 -3.234 5.055 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -13.114 -4.511 4.283 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.817 -3.998 5.820 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.826 -2.579 7.028 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.528 -2.909 7.367 1.00 0.00 H new ATOM 1531 N ASN A 100 -14.686 -3.087 0.946 1.00 0.00 N ATOM 1532 CA ASN A 100 -15.831 -2.508 1.639 1.00 0.00 C ATOM 1533 C ASN A 100 -16.273 -3.398 2.797 1.00 0.00 C ATOM 1534 O ASN A 100 -15.640 -4.412 3.091 1.00 0.00 O ATOM 1535 CB ASN A 100 -16.994 -2.304 0.666 1.00 0.00 C ATOM 1536 CG ASN A 100 -16.602 -1.465 -0.535 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -15.461 -1.016 -0.647 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -17.549 -1.249 -1.440 1.00 0.00 N ATOM 0 H ASN A 100 -14.845 -4.026 0.580 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.529 -1.541 2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -17.354 -3.275 0.326 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.821 -1.822 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.344 -0.691 -2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.481 -1.641 -1.306 1.00 0.00 H new ATOM 1545 N SER A 101 -17.365 -3.012 3.450 1.00 0.00 N ATOM 1546 CA SER A 101 -17.890 -3.773 4.577 1.00 0.00 C ATOM 1547 C SER A 101 -18.110 -5.233 4.192 1.00 0.00 C ATOM 1548 O SER A 101 -17.975 -6.134 5.020 1.00 0.00 O ATOM 1549 CB SER A 101 -19.203 -3.160 5.066 1.00 0.00 C ATOM 1550 OG SER A 101 -19.869 -4.029 5.966 1.00 0.00 O ATOM 0 H SER A 101 -17.903 -2.177 3.218 1.00 0.00 H new ATOM 0 HA SER A 101 -17.157 -3.734 5.382 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.003 -2.208 5.557 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.849 -2.950 4.214 1.00 0.00 H new ATOM 0 HG SER A 101 -20.704 -3.613 6.265 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.451 -5.460 2.928 1.00 0.00 N ATOM 1557 CA LYS A 102 -18.690 -6.809 2.429 1.00 0.00 C ATOM 1558 C LYS A 102 -17.377 -7.571 2.272 1.00 0.00 C ATOM 1559 O LYS A 102 -17.092 -8.498 3.028 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.425 -6.757 1.088 1.00 0.00 C ATOM 1561 CG LYS A 102 -20.688 -5.914 1.120 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.728 -6.501 2.060 1.00 0.00 C ATOM 1563 CE LYS A 102 -22.402 -7.721 1.453 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.785 -7.907 1.972 1.00 0.00 N ATOM 0 H LYS A 102 -18.568 -4.726 2.230 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.310 -7.334 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -18.751 -6.359 0.329 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.683 -7.772 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -20.442 -4.900 1.436 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.104 -5.842 0.115 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -21.254 -6.777 3.002 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -22.479 -5.746 2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -22.432 -7.617 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -21.810 -8.609 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.827 -8.773 2.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -24.048 -7.090 2.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -24.447 -7.988 1.174 1.00 0.00 H new ATOM 1578 N GLY A 103 -16.581 -7.171 1.285 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.308 -7.827 1.048 1.00 0.00 C ATOM 1580 C GLY A 103 -14.342 -6.952 0.273 1.00 0.00 C ATOM 1581 O GLY A 103 -14.502 -5.734 0.221 1.00 0.00 O ATOM 0 H GLY A 103 -16.795 -6.405 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -14.860 -8.100 2.003 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -15.476 -8.753 0.498 1.00 0.00 H new ATOM 1585 N MET A 104 -13.334 -7.576 -0.329 1.00 0.00 N ATOM 1586 CA MET A 104 -12.338 -6.846 -1.104 1.00 0.00 C ATOM 1587 C MET A 104 -12.570 -7.032 -2.600 1.00 0.00 C ATOM 1588 O MET A 104 -13.178 -8.012 -3.027 1.00 0.00 O ATOM 1589 CB MET A 104 -10.929 -7.313 -0.733 1.00 0.00 C ATOM 1590 CG MET A 104 -10.643 -7.255 0.759 1.00 0.00 C ATOM 1591 SD MET A 104 -9.045 -7.971 1.189 1.00 0.00 S ATOM 1592 CE MET A 104 -9.471 -9.707 1.301 1.00 0.00 C ATOM 0 H MET A 104 -13.186 -8.585 -0.295 1.00 0.00 H new ATOM 0 HA MET A 104 -12.436 -5.786 -0.868 1.00 0.00 H new ATOM 0 HB2 MET A 104 -10.791 -8.336 -1.082 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.200 -6.696 -1.259 1.00 0.00 H new ATOM 0 HG2 MET A 104 -10.673 -6.217 1.090 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.430 -7.784 1.297 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.583 -10.283 1.561 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.232 -9.846 2.069 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.858 -10.049 0.341 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.081 -6.083 -3.393 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.246 -6.161 -4.833 1.00 0.00 C ATOM 1604 C GLY A 105 -10.984 -6.619 -5.537 1.00 0.00 C ATOM 1605 O GLY A 105 -10.111 -7.253 -4.944 1.00 0.00 O ATOM 0 H GLY A 105 -11.574 -5.262 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.058 -6.849 -5.066 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.537 -5.183 -5.216 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.875 -6.296 -6.834 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.715 -6.669 -7.648 1.00 0.00 C ATOM 1611 C PRO A 106 -8.458 -5.902 -7.252 1.00 0.00 C ATOM 1612 O PRO A 106 -8.533 -4.872 -6.583 1.00 0.00 O ATOM 1613 CB PRO A 106 -10.143 -6.294 -9.069 1.00 0.00 C ATOM 1614 CG PRO A 106 -11.159 -5.220 -8.888 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.877 -5.541 -7.606 1.00 0.00 C ATOM 0 HA PRO A 106 -9.456 -7.721 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -9.296 -5.942 -9.658 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.563 -7.151 -9.595 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.685 -4.240 -8.835 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.853 -5.194 -9.728 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -12.190 -4.637 -7.083 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.775 -6.132 -7.785 1.00 0.00 H new ATOM 1623 N MET A 107 -7.303 -6.412 -7.668 1.00 0.00 N ATOM 1624 CA MET A 107 -6.030 -5.774 -7.357 1.00 0.00 C ATOM 1625 C MET A 107 -5.428 -5.126 -8.600 1.00 0.00 C ATOM 1626 O MET A 107 -5.590 -5.627 -9.712 1.00 0.00 O ATOM 1627 CB MET A 107 -5.051 -6.796 -6.776 1.00 0.00 C ATOM 1628 CG MET A 107 -5.569 -7.493 -5.529 1.00 0.00 C ATOM 1629 SD MET A 107 -4.295 -8.453 -4.689 1.00 0.00 S ATOM 1630 CE MET A 107 -5.186 -9.001 -3.235 1.00 0.00 C ATOM 0 H MET A 107 -7.223 -7.265 -8.221 1.00 0.00 H new ATOM 0 HA MET A 107 -6.214 -4.996 -6.616 1.00 0.00 H new ATOM 0 HB2 MET A 107 -4.828 -7.546 -7.535 1.00 0.00 H new ATOM 0 HB3 MET A 107 -4.113 -6.294 -6.539 1.00 0.00 H new ATOM 0 HG2 MET A 107 -5.970 -6.748 -4.841 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.394 -8.151 -5.802 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.487 -9.138 -2.410 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.929 -8.253 -2.960 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.685 -9.946 -3.449 1.00 0.00 H new ATOM 1640 N SER A 108 -4.735 -4.009 -8.403 1.00 0.00 N ATOM 1641 CA SER A 108 -4.113 -3.290 -9.509 1.00 0.00 C ATOM 1642 C SER A 108 -2.821 -3.976 -9.944 1.00 0.00 C ATOM 1643 O SER A 108 -2.395 -4.960 -9.341 1.00 0.00 O ATOM 1644 CB SER A 108 -3.824 -1.843 -9.107 1.00 0.00 C ATOM 1645 OG SER A 108 -3.083 -1.787 -7.900 1.00 0.00 O ATOM 0 H SER A 108 -4.590 -3.582 -7.488 1.00 0.00 H new ATOM 0 HA SER A 108 -4.808 -3.294 -10.349 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.268 -1.346 -9.902 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.762 -1.301 -8.987 1.00 0.00 H new ATOM 0 HG SER A 108 -3.691 -1.891 -7.138 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.204 -3.448 -10.996 1.00 0.00 N ATOM 1652 CA GLU A 109 -0.961 -4.009 -11.514 1.00 0.00 C ATOM 1653 C GLU A 109 0.208 -3.690 -10.586 1.00 0.00 C ATOM 1654 O GLU A 109 0.195 -2.683 -9.879 1.00 0.00 O ATOM 1655 CB GLU A 109 -0.676 -3.469 -12.916 1.00 0.00 C ATOM 1656 CG GLU A 109 -0.394 -1.976 -12.948 1.00 0.00 C ATOM 1657 CD GLU A 109 -0.488 -1.394 -14.345 1.00 0.00 C ATOM 1658 OE1 GLU A 109 0.027 -2.030 -15.288 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -1.076 -0.303 -14.495 1.00 0.00 O ATOM 0 H GLU A 109 -2.544 -2.633 -11.506 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.076 -5.092 -11.567 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.179 -4.001 -13.334 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.530 -3.683 -13.559 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.101 -1.463 -12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.602 -1.790 -12.547 1.00 0.00 H new ATOM 1666 N ALA A 110 1.216 -4.555 -10.595 1.00 0.00 N ATOM 1667 CA ALA A 110 2.393 -4.365 -9.757 1.00 0.00 C ATOM 1668 C ALA A 110 3.137 -3.089 -10.135 1.00 0.00 C ATOM 1669 O ALA A 110 3.767 -3.014 -11.190 1.00 0.00 O ATOM 1670 CB ALA A 110 3.318 -5.568 -9.866 1.00 0.00 C ATOM 0 H ALA A 110 1.241 -5.395 -11.174 1.00 0.00 H new ATOM 0 HA ALA A 110 2.060 -4.268 -8.724 1.00 0.00 H new ATOM 0 HB1 ALA A 110 4.193 -5.413 -9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.790 -6.464 -9.540 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.635 -5.691 -10.902 1.00 0.00 H new ATOM 1676 N VAL A 111 3.058 -2.084 -9.268 1.00 0.00 N ATOM 1677 CA VAL A 111 3.723 -0.810 -9.511 1.00 0.00 C ATOM 1678 C VAL A 111 5.192 -0.871 -9.106 1.00 0.00 C ATOM 1679 O VAL A 111 5.524 -0.776 -7.925 1.00 0.00 O ATOM 1680 CB VAL A 111 3.038 0.336 -8.744 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.771 1.648 -8.977 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.577 0.452 -9.153 1.00 0.00 C ATOM 0 H VAL A 111 2.540 -2.128 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 111 3.652 -0.615 -10.581 1.00 0.00 H new ATOM 0 HB VAL A 111 3.077 0.111 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.272 2.446 -8.427 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.800 1.556 -8.630 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.767 1.883 -10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.108 1.267 -8.601 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.513 0.654 -10.222 1.00 0.00 H new ATOM 0 HG23 VAL A 111 1.061 -0.482 -8.929 1.00 0.00 H new ATOM 1692 N GLN A 112 6.066 -1.030 -10.094 1.00 0.00 N ATOM 1693 CA GLN A 112 7.500 -1.103 -9.840 1.00 0.00 C ATOM 1694 C GLN A 112 8.075 0.281 -9.560 1.00 0.00 C ATOM 1695 O GLN A 112 8.319 1.061 -10.481 1.00 0.00 O ATOM 1696 CB GLN A 112 8.219 -1.736 -11.033 1.00 0.00 C ATOM 1697 CG GLN A 112 9.679 -2.059 -10.762 1.00 0.00 C ATOM 1698 CD GLN A 112 10.238 -3.086 -11.727 1.00 0.00 C ATOM 1699 OE1 GLN A 112 11.209 -3.866 -11.265 1.00 0.00 O flip ATOM 1700 NE2 GLN A 112 9.803 -3.178 -12.875 1.00 0.00 N flip ATOM 0 H GLN A 112 5.807 -1.111 -11.077 1.00 0.00 H new ATOM 0 HA GLN A 112 7.656 -1.725 -8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.699 -2.652 -11.316 1.00 0.00 H new ATOM 0 HB3 GLN A 112 8.157 -1.059 -11.885 1.00 0.00 H new ATOM 0 HG2 GLN A 112 10.268 -1.144 -10.829 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.782 -2.430 -9.742 1.00 0.00 H new ATOM 0 HE21 GLN A 112 9.056 -2.558 -13.189 1.00 0.00 H new ATOM 0 HE22 GLN A 112 10.190 -3.874 -13.513 1.00 0.00 H new ATOM 1709 N PHE A 113 8.291 0.580 -8.284 1.00 0.00 N ATOM 1710 CA PHE A 113 8.836 1.871 -7.882 1.00 0.00 C ATOM 1711 C PHE A 113 10.220 1.708 -7.261 1.00 0.00 C ATOM 1712 O PHE A 113 10.367 1.114 -6.193 1.00 0.00 O ATOM 1713 CB PHE A 113 7.897 2.559 -6.889 1.00 0.00 C ATOM 1714 CG PHE A 113 8.485 3.792 -6.264 1.00 0.00 C ATOM 1715 CD1 PHE A 113 8.312 5.034 -6.854 1.00 0.00 C ATOM 1716 CD2 PHE A 113 9.209 3.710 -5.086 1.00 0.00 C ATOM 1717 CE1 PHE A 113 8.852 6.170 -6.282 1.00 0.00 C ATOM 1718 CE2 PHE A 113 9.751 4.843 -4.508 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.571 6.074 -5.107 1.00 0.00 C ATOM 0 H PHE A 113 8.097 -0.055 -7.510 1.00 0.00 H new ATOM 0 HA PHE A 113 8.928 2.491 -8.774 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.972 2.826 -7.401 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.633 1.853 -6.102 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.748 5.115 -7.772 1.00 0.00 H new ATOM 0 HD2 PHE A 113 9.352 2.749 -4.613 1.00 0.00 H new ATOM 0 HE1 PHE A 113 8.712 7.132 -6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 113 10.314 4.765 -3.590 1.00 0.00 H new ATOM 0 HZ PHE A 113 9.992 6.961 -4.657 1.00 0.00 H new ATOM 1729 N ARG A 114 11.233 2.239 -7.939 1.00 0.00 N ATOM 1730 CA ARG A 114 12.606 2.150 -7.455 1.00 0.00 C ATOM 1731 C ARG A 114 12.817 3.062 -6.251 1.00 0.00 C ATOM 1732 O ARG A 114 12.682 4.282 -6.350 1.00 0.00 O ATOM 1733 CB ARG A 114 13.586 2.523 -8.569 1.00 0.00 C ATOM 1734 CG ARG A 114 14.944 1.854 -8.434 1.00 0.00 C ATOM 1735 CD ARG A 114 15.685 1.824 -9.761 1.00 0.00 C ATOM 1736 NE ARG A 114 17.132 1.752 -9.579 1.00 0.00 N ATOM 1737 CZ ARG A 114 17.983 1.466 -10.558 1.00 0.00 C ATOM 1738 NH1 ARG A 114 17.534 1.227 -11.782 1.00 0.00 N ATOM 1739 NH2 ARG A 114 19.287 1.420 -10.313 1.00 0.00 N ATOM 0 H ARG A 114 11.129 2.735 -8.824 1.00 0.00 H new ATOM 0 HA ARG A 114 12.791 1.121 -7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.150 2.251 -9.531 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.722 3.604 -8.575 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.541 2.387 -7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.814 0.836 -8.065 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.350 0.966 -10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 114 15.436 2.716 -10.335 1.00 0.00 H new ATOM 0 HE ARG A 114 17.510 1.931 -8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.533 1.262 -11.974 1.00 0.00 H new ATOM 0 HH12 ARG A 114 18.190 1.008 -12.532 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.636 1.604 -9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 114 19.940 1.200 -11.065 1.00 0.00 H new ATOM 1753 N THR A 115 13.150 2.463 -5.112 1.00 0.00 N ATOM 1754 CA THR A 115 13.379 3.219 -3.888 1.00 0.00 C ATOM 1755 C THR A 115 14.431 4.302 -4.099 1.00 0.00 C ATOM 1756 O THR A 115 15.369 4.145 -4.880 1.00 0.00 O ATOM 1757 CB THR A 115 13.827 2.302 -2.735 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.811 1.372 -3.203 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.643 1.544 -2.154 1.00 0.00 C ATOM 0 H THR A 115 13.267 1.455 -5.012 1.00 0.00 H new ATOM 0 HA THR A 115 12.430 3.685 -3.623 1.00 0.00 H new ATOM 0 HB THR A 115 14.259 2.925 -1.952 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.576 0.469 -2.904 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.985 0.903 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.909 2.253 -1.772 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.186 0.932 -2.931 1.00 0.00 H new ATOM 1767 N PRO A 116 14.274 5.428 -3.387 1.00 0.00 N ATOM 1768 CA PRO A 116 15.203 6.558 -3.479 1.00 0.00 C ATOM 1769 C PRO A 116 16.563 6.243 -2.865 1.00 0.00 C ATOM 1770 O PRO A 116 16.898 5.081 -2.636 1.00 0.00 O ATOM 1771 CB PRO A 116 14.500 7.661 -2.683 1.00 0.00 C ATOM 1772 CG PRO A 116 13.619 6.934 -1.727 1.00 0.00 C ATOM 1773 CD PRO A 116 13.179 5.683 -2.436 1.00 0.00 C ATOM 0 HA PRO A 116 15.414 6.828 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.219 8.291 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 116 13.922 8.314 -3.337 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.155 6.694 -0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.761 7.545 -1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.048 4.853 -1.742 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.227 5.825 -2.948 1.00 0.00 H new ATOM 1781 N LYS A 117 17.343 7.285 -2.601 1.00 0.00 N ATOM 1782 CA LYS A 117 18.667 7.121 -2.012 1.00 0.00 C ATOM 1783 C LYS A 117 18.952 8.223 -0.998 1.00 0.00 C ATOM 1784 O LYS A 117 18.375 9.308 -1.067 1.00 0.00 O ATOM 1785 CB LYS A 117 19.739 7.129 -3.105 1.00 0.00 C ATOM 1786 CG LYS A 117 19.746 5.873 -3.959 1.00 0.00 C ATOM 1787 CD LYS A 117 20.793 4.881 -3.483 1.00 0.00 C ATOM 1788 CE LYS A 117 20.310 4.098 -2.271 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.319 3.102 -1.816 1.00 0.00 N ATOM 0 H LYS A 117 17.081 8.253 -2.786 1.00 0.00 H new ATOM 0 HA LYS A 117 18.691 6.162 -1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.583 7.995 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.718 7.248 -2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.761 5.406 -3.929 1.00 0.00 H new ATOM 0 HG3 LYS A 117 19.941 6.139 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 117 21.035 4.190 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.711 5.412 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.089 4.789 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.380 3.586 -2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.843 2.340 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.808 2.701 -2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 22.012 3.568 -1.196 1.00 0.00 H new ATOM 1803 N ALA A 118 19.846 7.939 -0.057 1.00 0.00 N ATOM 1804 CA ALA A 118 20.210 8.908 0.970 1.00 0.00 C ATOM 1805 C ALA A 118 21.111 9.999 0.400 1.00 0.00 C ATOM 1806 O ALA A 118 22.264 9.746 0.052 1.00 0.00 O ATOM 1807 CB ALA A 118 20.896 8.210 2.135 1.00 0.00 C ATOM 0 H ALA A 118 20.332 7.045 0.016 1.00 0.00 H new ATOM 0 HA ALA A 118 19.296 9.379 1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.162 8.946 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.220 7.472 2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.798 7.712 1.780 1.00 0.00 H new ATOM 1813 N SER A 119 20.576 11.212 0.306 1.00 0.00 N ATOM 1814 CA SER A 119 21.330 12.341 -0.226 1.00 0.00 C ATOM 1815 C SER A 119 21.380 13.485 0.783 1.00 0.00 C ATOM 1816 O SER A 119 20.761 13.419 1.844 1.00 0.00 O ATOM 1817 CB SER A 119 20.706 12.827 -1.535 1.00 0.00 C ATOM 1818 OG SER A 119 20.876 11.871 -2.567 1.00 0.00 O ATOM 0 H SER A 119 19.623 11.438 0.591 1.00 0.00 H new ATOM 0 HA SER A 119 22.349 12.006 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 119 19.644 13.020 -1.385 1.00 0.00 H new ATOM 0 HB3 SER A 119 21.163 13.771 -1.831 1.00 0.00 H new ATOM 0 HG SER A 119 20.467 12.205 -3.393 1.00 0.00 H new ATOM 1824 N GLY A 120 22.123 14.533 0.442 1.00 0.00 N ATOM 1825 CA GLY A 120 22.241 15.677 1.328 1.00 0.00 C ATOM 1826 C GLY A 120 21.073 16.635 1.197 1.00 0.00 C ATOM 1827 O GLY A 120 20.680 17.021 0.096 1.00 0.00 O ATOM 0 H GLY A 120 22.645 14.611 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 120 22.308 15.329 2.359 1.00 0.00 H new ATOM 0 HA3 GLY A 120 23.168 16.207 1.110 1.00 0.00 H new ATOM 1831 N PRO A 121 20.497 17.031 2.341 1.00 0.00 N ATOM 1832 CA PRO A 121 19.358 17.953 2.376 1.00 0.00 C ATOM 1833 C PRO A 121 19.746 19.370 1.966 1.00 0.00 C ATOM 1834 O PRO A 121 20.324 20.118 2.754 1.00 0.00 O ATOM 1835 CB PRO A 121 18.921 17.922 3.843 1.00 0.00 C ATOM 1836 CG PRO A 121 20.147 17.535 4.595 1.00 0.00 C ATOM 1837 CD PRO A 121 20.914 16.611 3.690 1.00 0.00 C ATOM 0 HA PRO A 121 18.575 17.659 1.677 1.00 0.00 H new ATOM 0 HB2 PRO A 121 18.549 18.894 4.166 1.00 0.00 H new ATOM 0 HB3 PRO A 121 18.116 17.204 4.001 1.00 0.00 H new ATOM 0 HG2 PRO A 121 20.741 18.412 4.851 1.00 0.00 H new ATOM 0 HG3 PRO A 121 19.890 17.040 5.531 1.00 0.00 H new ATOM 0 HD2 PRO A 121 21.990 16.715 3.828 1.00 0.00 H new ATOM 0 HD3 PRO A 121 20.667 15.566 3.880 1.00 0.00 H new ATOM 1845 N SER A 122 19.424 19.732 0.728 1.00 0.00 N ATOM 1846 CA SER A 122 19.742 21.058 0.212 1.00 0.00 C ATOM 1847 C SER A 122 18.519 21.969 0.264 1.00 0.00 C ATOM 1848 O SER A 122 17.402 21.513 0.506 1.00 0.00 O ATOM 1849 CB SER A 122 20.258 20.959 -1.225 1.00 0.00 C ATOM 1850 OG SER A 122 19.192 20.761 -2.137 1.00 0.00 O ATOM 0 H SER A 122 18.943 19.125 0.064 1.00 0.00 H new ATOM 0 HA SER A 122 20.521 21.489 0.841 1.00 0.00 H new ATOM 0 HB2 SER A 122 20.798 21.870 -1.484 1.00 0.00 H new ATOM 0 HB3 SER A 122 20.967 20.134 -1.304 1.00 0.00 H new ATOM 0 HG SER A 122 19.548 20.703 -3.048 1.00 0.00 H new ATOM 1856 N SER A 123 18.740 23.259 0.035 1.00 0.00 N ATOM 1857 CA SER A 123 17.658 24.236 0.059 1.00 0.00 C ATOM 1858 C SER A 123 16.724 24.042 -1.132 1.00 0.00 C ATOM 1859 O SER A 123 17.094 24.304 -2.275 1.00 0.00 O ATOM 1860 CB SER A 123 18.224 25.657 0.050 1.00 0.00 C ATOM 1861 OG SER A 123 17.230 26.605 0.397 1.00 0.00 O ATOM 0 H SER A 123 19.659 23.652 -0.169 1.00 0.00 H new ATOM 0 HA SER A 123 17.087 24.086 0.975 1.00 0.00 H new ATOM 0 HB2 SER A 123 19.056 25.725 0.751 1.00 0.00 H new ATOM 0 HB3 SER A 123 18.621 25.887 -0.939 1.00 0.00 H new ATOM 0 HG SER A 123 17.618 27.505 0.386 1.00 0.00 H new ATOM 1867 N GLY A 124 15.509 23.579 -0.854 1.00 0.00 N ATOM 1868 CA GLY A 124 14.540 23.356 -1.911 1.00 0.00 C ATOM 1869 C GLY A 124 13.118 23.625 -1.461 1.00 0.00 C ATOM 1870 O GLY A 124 12.697 24.778 -1.368 1.00 0.00 O ATOM 0 H GLY A 124 15.179 23.354 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 124 14.777 23.999 -2.759 1.00 0.00 H new ATOM 0 HA3 GLY A 124 14.619 22.326 -2.260 1.00 0.00 H new TER 1874 GLY A 124