USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1287 hydrogens (33 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 128 LYS NZ :NH3+ -144:sc= 0.82 (180deg=0.412) USER MOD Set 1.2: A 130 SER OG : rot 150:sc= -0.0647 USER MOD Set 2.1: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 115 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 88 HIS : no HD1:sc= -2.35! C(o=-2.9!,f=-8.8!) USER MOD Set 3.2: A 104 HIS : no HD1:sc= -1.76! C(o=-2.9!,f=-11!) USER MOD Set 3.3: A 116 TYR OH : rot 35:sc= 1.24 USER MOD Set 4.1: A 43 LYS NZ :NH3+ 162:sc= 1.87 (180deg=0) USER MOD Set 4.2: A 58 MET CE :methyl -116:sc= -0.874 (180deg=-0.0784) USER MOD Set 4.3: A 60 ASN : amide:sc= 1.32 K(o=-0.95,f=-21!) USER MOD Set 4.4: A 67 THR OG1 : rot -179:sc= -1.69! USER MOD Set 4.5: A 118 TYR OH : rot 167:sc= 1.3 USER MOD Set 4.6: A 127 MET CE :methyl -168:sc= -3.68! (180deg=-3.24!) USER MOD Set 4.7: A1001 OLA O2 : rot -136:sc= 0.816 USER MOD Set 5.1: A 65 LYS NZ :NH3+ 165:sc= 1.15 (180deg=0.785) USER MOD Set 5.2: A 85 SER OG : rot 180:sc= -0.531 USER MOD Single : A 0 SER OG : rot 138:sc= -0.886! USER MOD Single : A 1 LYS NZ :NH3+ -158:sc= -1.39 (180deg=-2.3!) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -2 HIS : no HD1:sc=-0.000804 X(o=-0.0008,f=-0.01) USER MOD Single : A -3 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD Single : A -4 HIS : no HE2:sc= -0.057 K(o=-0.057,f=-0.63) USER MOD Single : A -5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -6 HIS : no HD1:sc=-0.00962 X(o=-0.0096,f=-0.024) USER MOD Single : A -7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN :FLIP amide:sc=-0.000674 F(o=-1.1,f=-0.00067) USER MOD Single : A 22 TYR OH : rot 29:sc= 0.622 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 30:sc= -1.2 USER MOD Single : A 32 MET CE :methyl -145:sc= -2.74 (180deg=-4.73!) USER MOD Single : A 34 GLN : amide:sc= -0.318 X(o=-0.32,f=-0.2) USER MOD Single : A 37 LYS NZ :NH3+ -151:sc= 1.22 (180deg=1.05) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.14) USER MOD Single : A 47 ASN : amide:sc= -0.397 X(o=-0.4,f=-0.049) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 101:sc= -0.342 USER MOD Single : A 62 THR OG1 : rot 159:sc= 0.375 USER MOD Single : A 63 THR OG1 : rot 170:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD Single : A 69 HIS : +bothHN:sc= 1.18 K(o=1.2,f=-10!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 86 THR OG1 : rot 24:sc= 0.438 USER MOD Single : A 87 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.511 USER MOD Single : A 95 LYS NZ :NH3+ -115:sc= 1.07 (180deg=0.4) USER MOD Single : A 98 ASN : amide:sc= 0.528 K(o=0.53,f=-1.3) USER MOD Single : A 99 THR OG1 : rot 118:sc= 1.84 USER MOD Single : A -11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -11 MET N :NH3+ 146:sc= 1.25 (180deg=0.508) USER MOD Single : A 101 THR OG1 : rot -8:sc= 0.761 USER MOD Single : A 106 LYS NZ :NH3+ 141:sc= 2.48 (180deg=-0.407) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 MET CE :methyl -133:sc= -5.27! (180deg=-9.13!) USER MOD Single : A 132 LYS NZ :NH3+ -162:sc= -0.108 (180deg=-0.417) USER MOD Single : A 135 SER OG : rot -140:sc= -0.0766 USER MOD Single : A 136 THR OG1 : rot 33:sc= 1.24 USER MOD Single : A 137 SER OG : rot 117:sc= 1.23 USER MOD Single : A 139 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 TYR OH : rot -147:sc= 1.21 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 GLN :FLIP amide:sc= -1.51 F(o=-4.2!,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -11 4.309 -18.209 -20.891 1.00 13.25 N ATOM 2 CA MET A -11 3.120 -17.828 -21.688 1.00 13.08 C ATOM 3 C MET A -11 2.044 -17.252 -20.780 1.00 12.76 C ATOM 4 O MET A -11 1.540 -17.942 -19.893 1.00 12.82 O ATOM 5 CB MET A -11 2.551 -19.045 -22.429 1.00 13.51 C ATOM 6 CG MET A -11 3.493 -19.657 -23.453 1.00 13.65 C ATOM 7 SD MET A -11 4.929 -20.458 -22.709 1.00 14.00 S ATOM 8 CE MET A -11 5.743 -21.098 -24.168 1.00 14.47 C ATOM 0 H1 MET A -11 4.752 -19.051 -21.310 1.00 13.25 H new ATOM 0 H2 MET A -11 4.991 -17.424 -20.888 1.00 13.25 H new ATOM 0 H3 MET A -11 4.019 -18.420 -19.915 1.00 13.25 H new ATOM 0 HA MET A -11 3.428 -17.078 -22.416 1.00 13.08 H new ATOM 0 HB2 MET A -11 2.285 -19.808 -21.697 1.00 13.51 H new ATOM 0 HB3 MET A -11 1.630 -18.750 -22.932 1.00 13.51 H new ATOM 0 HG2 MET A -11 2.946 -20.387 -24.049 1.00 13.65 H new ATOM 0 HG3 MET A -11 3.833 -18.878 -24.136 1.00 13.65 H new ATOM 0 HE1 MET A -11 6.653 -21.623 -23.876 1.00 14.47 H new ATOM 0 HE2 MET A -11 5.075 -21.788 -24.684 1.00 14.47 H new ATOM 0 HE3 MET A -11 5.998 -20.273 -24.834 1.00 14.47 H new ATOM 20 N ARG A -10 1.696 -15.986 -20.996 1.00 12.64 N ATOM 21 CA ARG A -10 0.632 -15.350 -20.229 1.00 12.57 C ATOM 22 C ARG A -10 -0.720 -15.904 -20.660 1.00 12.08 C ATOM 23 O ARG A -10 -1.626 -16.066 -19.841 1.00 12.07 O ATOM 24 CB ARG A -10 0.645 -13.830 -20.410 1.00 13.16 C ATOM 25 CG ARG A -10 -0.455 -13.129 -19.625 1.00 13.66 C ATOM 26 CD ARG A -10 -0.527 -11.645 -19.936 1.00 14.28 C ATOM 27 NE ARG A -10 -1.669 -11.010 -19.270 1.00 14.70 N ATOM 28 CZ ARG A -10 -2.341 -9.971 -19.763 1.00 15.36 C ATOM 29 NH1 ARG A -10 -1.960 -9.400 -20.901 1.00 15.68 N ATOM 30 NH2 ARG A -10 -3.388 -9.491 -19.107 1.00 15.82 N ATOM 0 H ARG A -10 2.134 -15.384 -21.693 1.00 12.64 H new ATOM 0 HA ARG A -10 0.802 -15.569 -19.175 1.00 12.57 H new ATOM 0 HB2 ARG A -10 1.613 -13.440 -20.096 1.00 13.16 H new ATOM 0 HB3 ARG A -10 0.535 -13.595 -21.469 1.00 13.16 H new ATOM 0 HG2 ARG A -10 -1.414 -13.593 -19.854 1.00 13.66 H new ATOM 0 HG3 ARG A -10 -0.281 -13.267 -18.558 1.00 13.66 H new ATOM 0 HD2 ARG A -10 0.396 -11.161 -19.618 1.00 14.28 H new ATOM 0 HD3 ARG A -10 -0.607 -11.502 -21.014 1.00 14.28 H new ATOM 0 HE ARG A -10 -1.968 -11.388 -18.371 1.00 14.70 H new ATOM 0 HH11 ARG A -10 -1.147 -9.757 -21.404 1.00 15.68 H new ATOM 0 HH12 ARG A -10 -2.480 -8.605 -21.272 1.00 15.68 H new ATOM 0 HH21 ARG A -10 -3.677 -9.917 -18.227 1.00 15.82 H new ATOM 0 HH22 ARG A -10 -3.904 -8.695 -19.483 1.00 15.82 H new ATOM 44 N GLY A -9 -0.845 -16.191 -21.947 1.00 11.88 N ATOM 45 CA GLY A -9 -2.070 -16.762 -22.461 1.00 11.61 C ATOM 46 C GLY A -9 -2.202 -18.218 -22.083 1.00 11.09 C ATOM 47 O GLY A -9 -1.235 -18.980 -22.199 1.00 10.90 O ATOM 0 H GLY A -9 -0.117 -16.038 -22.645 1.00 11.88 H new ATOM 0 HA2 GLY A -9 -2.923 -16.205 -22.073 1.00 11.61 H new ATOM 0 HA3 GLY A -9 -2.092 -16.663 -23.546 1.00 11.61 H new ATOM 51 N SER A -8 -3.391 -18.599 -21.624 1.00 11.06 N ATOM 52 CA SER A -8 -3.658 -19.960 -21.174 1.00 10.81 C ATOM 53 C SER A -8 -2.832 -20.291 -19.928 1.00 10.32 C ATOM 54 O SER A -8 -2.210 -19.405 -19.335 1.00 10.27 O ATOM 55 CB SER A -8 -3.371 -20.954 -22.302 1.00 11.27 C ATOM 56 OG SER A -8 -4.154 -20.659 -23.447 1.00 11.68 O ATOM 0 H SER A -8 -4.194 -17.974 -21.554 1.00 11.06 H new ATOM 0 HA SER A -8 -4.712 -20.038 -20.906 1.00 10.81 H new ATOM 0 HB2 SER A -8 -2.313 -20.920 -22.561 1.00 11.27 H new ATOM 0 HB3 SER A -8 -3.584 -21.968 -21.962 1.00 11.27 H new ATOM 0 HG SER A -8 -3.953 -21.305 -24.156 1.00 11.68 H new ATOM 62 N HIS A -7 -2.850 -21.561 -19.522 1.00 10.19 N ATOM 63 CA HIS A -7 -2.089 -22.023 -18.359 1.00 9.96 C ATOM 64 C HIS A -7 -2.568 -21.344 -17.078 1.00 9.39 C ATOM 65 O HIS A -7 -1.769 -21.002 -16.207 1.00 9.36 O ATOM 66 CB HIS A -7 -0.583 -21.779 -18.533 1.00 10.47 C ATOM 67 CG HIS A -7 0.055 -22.613 -19.598 1.00 10.82 C ATOM 68 ND1 HIS A -7 0.614 -23.845 -19.353 1.00 11.40 N ATOM 69 CD2 HIS A -7 0.233 -22.378 -20.918 1.00 10.91 C ATOM 70 CE1 HIS A -7 1.110 -24.332 -20.474 1.00 11.79 C ATOM 71 NE2 HIS A -7 0.891 -23.462 -21.439 1.00 11.52 N ATOM 0 H HIS A -7 -3.388 -22.294 -19.985 1.00 10.19 H new ATOM 0 HA HIS A -7 -2.261 -23.096 -18.279 1.00 9.96 H new ATOM 0 HB2 HIS A -7 -0.422 -20.727 -18.766 1.00 10.47 H new ATOM 0 HB3 HIS A -7 -0.083 -21.976 -17.585 1.00 10.47 H new ATOM 0 HD2 HIS A -7 -0.084 -21.500 -21.461 1.00 10.91 H new ATOM 0 HE1 HIS A -7 1.611 -25.283 -20.582 1.00 11.79 H new ATOM 0 HE2 HIS A -7 1.166 -23.576 -22.415 1.00 11.52 H new ATOM 80 N HIS A -6 -3.875 -21.154 -16.960 1.00 9.18 N ATOM 81 CA HIS A -6 -4.431 -20.515 -15.777 1.00 8.88 C ATOM 82 C HIS A -6 -4.530 -21.517 -14.631 1.00 8.15 C ATOM 83 O HIS A -6 -4.601 -21.138 -13.463 1.00 8.11 O ATOM 84 CB HIS A -6 -5.805 -19.907 -16.072 1.00 9.21 C ATOM 85 CG HIS A -6 -6.381 -19.159 -14.910 1.00 9.81 C ATOM 86 ND1 HIS A -6 -7.625 -19.421 -14.383 1.00 10.31 N ATOM 87 CD2 HIS A -6 -5.859 -18.163 -14.157 1.00 10.25 C ATOM 88 CE1 HIS A -6 -7.843 -18.621 -13.357 1.00 10.98 C ATOM 89 NE2 HIS A -6 -6.786 -17.849 -13.199 1.00 10.96 N ATOM 0 H HIS A -6 -4.563 -21.430 -17.661 1.00 9.18 H new ATOM 0 HA HIS A -6 -3.761 -19.707 -15.483 1.00 8.88 H new ATOM 0 HB2 HIS A -6 -5.721 -19.233 -16.924 1.00 9.21 H new ATOM 0 HB3 HIS A -6 -6.492 -20.702 -16.361 1.00 9.21 H new ATOM 0 HD2 HIS A -6 -4.891 -17.702 -14.287 1.00 10.25 H new ATOM 0 HE1 HIS A -6 -8.736 -18.602 -12.750 1.00 10.98 H new ATOM 0 HE2 HIS A -6 -6.676 -17.134 -12.480 1.00 10.96 H new ATOM 98 N HIS A -5 -4.516 -22.800 -14.970 1.00 7.83 N ATOM 99 CA HIS A -5 -4.552 -23.852 -13.966 1.00 7.37 C ATOM 100 C HIS A -5 -3.139 -24.275 -13.594 1.00 7.17 C ATOM 101 O HIS A -5 -2.888 -25.435 -13.266 1.00 7.21 O ATOM 102 CB HIS A -5 -5.349 -25.055 -14.458 1.00 7.73 C ATOM 103 CG HIS A -5 -6.805 -24.770 -14.652 1.00 8.16 C ATOM 104 ND1 HIS A -5 -7.418 -24.772 -15.884 1.00 8.81 N ATOM 105 CD2 HIS A -5 -7.771 -24.475 -13.752 1.00 8.33 C ATOM 106 CE1 HIS A -5 -8.697 -24.488 -15.735 1.00 9.31 C ATOM 107 NE2 HIS A -5 -8.938 -24.304 -14.450 1.00 9.05 N ATOM 0 H HIS A -5 -4.480 -23.136 -15.933 1.00 7.83 H new ATOM 0 HA HIS A -5 -5.049 -23.456 -13.080 1.00 7.37 H new ATOM 0 HB2 HIS A -5 -4.926 -25.399 -15.402 1.00 7.73 H new ATOM 0 HB3 HIS A -5 -5.239 -25.870 -13.743 1.00 7.73 H new ATOM 0 HD2 HIS A -5 -7.646 -24.390 -12.683 1.00 8.33 H new ATOM 0 HE1 HIS A -5 -9.425 -24.418 -16.530 1.00 9.31 H new ATOM 0 HE2 HIS A -5 -9.844 -24.072 -14.043 1.00 9.05 H new ATOM 116 N HIS A -4 -2.221 -23.324 -13.652 1.00 7.32 N ATOM 117 CA HIS A -4 -0.832 -23.567 -13.298 1.00 7.52 C ATOM 118 C HIS A -4 -0.671 -23.481 -11.785 1.00 6.89 C ATOM 119 O HIS A -4 -0.129 -22.505 -11.264 1.00 6.96 O ATOM 120 CB HIS A -4 0.070 -22.542 -13.999 1.00 8.42 C ATOM 121 CG HIS A -4 1.534 -22.805 -13.839 1.00 9.12 C ATOM 122 ND1 HIS A -4 2.283 -22.292 -12.804 1.00 9.86 N ATOM 123 CD2 HIS A -4 2.390 -23.527 -14.595 1.00 9.44 C ATOM 124 CE1 HIS A -4 3.534 -22.687 -12.932 1.00 10.54 C ATOM 125 NE2 HIS A -4 3.628 -23.439 -14.011 1.00 10.32 N ATOM 0 H HIS A -4 -2.416 -22.366 -13.944 1.00 7.32 H new ATOM 0 HA HIS A -4 -0.539 -24.564 -13.625 1.00 7.52 H new ATOM 0 HB2 HIS A -4 -0.172 -22.529 -15.062 1.00 8.42 H new ATOM 0 HB3 HIS A -4 -0.155 -21.549 -13.608 1.00 8.42 H new ATOM 0 HD1 HIS A -4 1.926 -21.699 -12.055 1.00 9.86 H new ATOM 0 HD2 HIS A -4 2.145 -24.073 -15.494 1.00 9.44 H new ATOM 0 HE1 HIS A -4 4.346 -22.437 -12.265 1.00 10.54 H new ATOM 134 N HIS A -3 -1.157 -24.512 -11.092 1.00 6.56 N ATOM 135 CA HIS A -3 -1.196 -24.531 -9.631 1.00 6.26 C ATOM 136 C HIS A -3 -2.016 -23.363 -9.108 1.00 5.53 C ATOM 137 O HIS A -3 -1.476 -22.307 -8.774 1.00 5.80 O ATOM 138 CB HIS A -3 0.213 -24.504 -9.027 1.00 7.01 C ATOM 139 CG HIS A -3 0.967 -25.786 -9.197 1.00 7.57 C ATOM 140 ND1 HIS A -3 2.158 -25.874 -9.879 1.00 8.09 N ATOM 141 CD2 HIS A -3 0.697 -27.035 -8.750 1.00 8.00 C ATOM 142 CE1 HIS A -3 2.587 -27.120 -9.849 1.00 8.73 C ATOM 143 NE2 HIS A -3 1.721 -27.846 -9.169 1.00 8.69 N ATOM 0 H HIS A -3 -1.533 -25.354 -11.527 1.00 6.56 H new ATOM 0 HA HIS A -3 -1.670 -25.464 -9.326 1.00 6.26 H new ATOM 0 HB2 HIS A -3 0.780 -23.696 -9.488 1.00 7.01 H new ATOM 0 HB3 HIS A -3 0.138 -24.275 -7.964 1.00 7.01 H new ATOM 0 HD2 HIS A -3 -0.164 -27.337 -8.172 1.00 8.00 H new ATOM 0 HE1 HIS A -3 3.495 -27.485 -10.305 1.00 8.73 H new ATOM 0 HE2 HIS A -3 1.800 -28.846 -8.985 1.00 8.69 H new ATOM 152 N HIS A -2 -3.326 -23.562 -9.040 1.00 4.92 N ATOM 153 CA HIS A -2 -4.245 -22.513 -8.613 1.00 4.50 C ATOM 154 C HIS A -2 -4.213 -22.362 -7.090 1.00 3.71 C ATOM 155 O HIS A -2 -5.233 -22.484 -6.408 1.00 3.80 O ATOM 156 CB HIS A -2 -5.663 -22.830 -9.104 1.00 4.97 C ATOM 157 CG HIS A -2 -6.596 -21.656 -9.090 1.00 5.64 C ATOM 158 ND1 HIS A -2 -7.838 -21.684 -8.494 1.00 6.23 N ATOM 159 CD2 HIS A -2 -6.473 -20.421 -9.634 1.00 6.23 C ATOM 160 CE1 HIS A -2 -8.438 -20.523 -8.672 1.00 7.04 C ATOM 161 NE2 HIS A -2 -7.631 -19.737 -9.359 1.00 7.06 N ATOM 0 H HIS A -2 -3.779 -24.445 -9.276 1.00 4.92 H new ATOM 0 HA HIS A -2 -3.932 -21.565 -9.051 1.00 4.50 H new ATOM 0 HB2 HIS A -2 -5.605 -23.221 -10.120 1.00 4.97 H new ATOM 0 HB3 HIS A -2 -6.083 -23.620 -8.482 1.00 4.97 H new ATOM 0 HD2 HIS A -2 -5.622 -20.045 -10.182 1.00 6.23 H new ATOM 0 HE1 HIS A -2 -9.423 -20.260 -8.316 1.00 7.04 H new ATOM 0 HE2 HIS A -2 -7.834 -18.778 -9.640 1.00 7.06 H new ATOM 170 N GLY A -1 -3.021 -22.108 -6.574 1.00 3.50 N ATOM 171 CA GLY A -1 -2.831 -21.898 -5.159 1.00 3.30 C ATOM 172 C GLY A -1 -1.970 -20.684 -4.907 1.00 2.92 C ATOM 173 O GLY A -1 -1.105 -20.356 -5.720 1.00 3.15 O ATOM 0 H GLY A -1 -2.166 -22.043 -7.126 1.00 3.50 H new ATOM 0 HA2 GLY A -1 -3.798 -21.770 -4.673 1.00 3.30 H new ATOM 0 HA3 GLY A -1 -2.365 -22.778 -4.716 1.00 3.30 H new ATOM 177 N SER A 0 -2.198 -20.018 -3.792 1.00 2.55 N ATOM 178 CA SER A 0 -1.504 -18.778 -3.495 1.00 2.25 C ATOM 179 C SER A 0 -0.200 -19.041 -2.765 1.00 1.76 C ATOM 180 O SER A 0 -0.071 -20.016 -2.017 1.00 1.80 O ATOM 181 CB SER A 0 -2.387 -17.881 -2.632 1.00 2.52 C ATOM 182 OG SER A 0 -3.724 -17.877 -3.100 1.00 3.11 O ATOM 0 H SER A 0 -2.860 -20.315 -3.075 1.00 2.55 H new ATOM 0 HA SER A 0 -1.282 -18.284 -4.441 1.00 2.25 H new ATOM 0 HB2 SER A 0 -2.362 -18.227 -1.599 1.00 2.52 H new ATOM 0 HB3 SER A 0 -1.994 -16.864 -2.638 1.00 2.52 H new ATOM 0 HG SER A 0 -4.338 -17.934 -2.338 1.00 3.11 H new ATOM 188 N LYS A 1 0.775 -18.189 -3.018 1.00 1.47 N ATOM 189 CA LYS A 1 1.966 -18.143 -2.198 1.00 1.17 C ATOM 190 C LYS A 1 1.603 -17.431 -0.905 1.00 1.02 C ATOM 191 O LYS A 1 0.920 -16.411 -0.935 1.00 1.17 O ATOM 192 CB LYS A 1 3.093 -17.403 -2.924 1.00 1.31 C ATOM 193 CG LYS A 1 3.416 -17.986 -4.295 1.00 1.65 C ATOM 194 CD LYS A 1 4.563 -17.248 -4.977 1.00 2.03 C ATOM 195 CE LYS A 1 5.931 -17.777 -4.554 1.00 2.38 C ATOM 196 NZ LYS A 1 6.185 -17.630 -3.096 1.00 2.99 N ATOM 0 H LYS A 1 0.764 -17.519 -3.787 1.00 1.47 H new ATOM 0 HA LYS A 1 2.323 -19.151 -1.989 1.00 1.17 H new ATOM 0 HB2 LYS A 1 2.814 -16.356 -3.039 1.00 1.31 H new ATOM 0 HB3 LYS A 1 3.991 -17.428 -2.306 1.00 1.31 H new ATOM 0 HG2 LYS A 1 3.676 -19.039 -4.188 1.00 1.65 H new ATOM 0 HG3 LYS A 1 2.529 -17.939 -4.927 1.00 1.65 H new ATOM 0 HD2 LYS A 1 4.459 -17.341 -6.058 1.00 2.03 H new ATOM 0 HD3 LYS A 1 4.499 -16.186 -4.741 1.00 2.03 H new ATOM 0 HE2 LYS A 1 6.007 -18.830 -4.826 1.00 2.38 H new ATOM 0 HE3 LYS A 1 6.706 -17.247 -5.108 1.00 2.38 H new ATOM 0 HZ1 LYS A 1 7.210 -17.644 -2.919 1.00 2.99 H new ATOM 0 HZ2 LYS A 1 5.789 -16.728 -2.764 1.00 2.99 H new ATOM 0 HZ3 LYS A 1 5.734 -18.415 -2.584 1.00 2.99 H new ATOM 210 N THR A 2 2.017 -17.971 0.222 1.00 0.86 N ATOM 211 CA THR A 2 1.580 -17.443 1.500 1.00 0.81 C ATOM 212 C THR A 2 2.334 -16.163 1.847 1.00 0.66 C ATOM 213 O THR A 2 3.559 -16.100 1.733 1.00 0.64 O ATOM 214 CB THR A 2 1.769 -18.475 2.617 1.00 0.86 C ATOM 215 OG1 THR A 2 1.427 -19.781 2.130 1.00 0.99 O ATOM 216 CG2 THR A 2 0.885 -18.140 3.806 1.00 0.92 C ATOM 0 H THR A 2 2.650 -18.769 0.281 1.00 0.86 H new ATOM 0 HA THR A 2 0.518 -17.214 1.413 1.00 0.81 H new ATOM 0 HB THR A 2 2.812 -18.457 2.933 1.00 0.86 H new ATOM 0 HG1 THR A 2 1.550 -20.439 2.845 1.00 0.99 H new ATOM 0 HG21 THR A 2 1.032 -18.883 4.590 1.00 0.92 H new ATOM 0 HG22 THR A 2 1.147 -17.153 4.188 1.00 0.92 H new ATOM 0 HG23 THR A 2 -0.160 -18.143 3.495 1.00 0.92 H new ATOM 224 N LEU A 3 1.583 -15.145 2.247 1.00 0.59 N ATOM 225 CA LEU A 3 2.157 -13.856 2.613 1.00 0.50 C ATOM 226 C LEU A 3 3.043 -13.999 3.842 1.00 0.49 C ATOM 227 O LEU A 3 2.584 -14.448 4.894 1.00 0.53 O ATOM 228 CB LEU A 3 1.060 -12.833 2.919 1.00 0.49 C ATOM 229 CG LEU A 3 1.058 -11.556 2.068 1.00 0.35 C ATOM 230 CD1 LEU A 3 0.275 -10.472 2.775 1.00 0.51 C ATOM 231 CD2 LEU A 3 2.463 -11.060 1.781 1.00 0.49 C ATOM 0 H LEU A 3 0.567 -15.188 2.327 1.00 0.59 H new ATOM 0 HA LEU A 3 2.749 -13.509 1.766 1.00 0.50 H new ATOM 0 HB2 LEU A 3 0.094 -13.323 2.801 1.00 0.49 H new ATOM 0 HB3 LEU A 3 1.145 -12.545 3.967 1.00 0.49 H new ATOM 0 HG LEU A 3 0.589 -11.798 1.114 1.00 0.35 H new ATOM 0 HD11 LEU A 3 0.276 -9.567 2.167 1.00 0.51 H new ATOM 0 HD12 LEU A 3 -0.752 -10.805 2.928 1.00 0.51 H new ATOM 0 HD13 LEU A 3 0.735 -10.261 3.740 1.00 0.51 H new ATOM 0 HD21 LEU A 3 2.413 -10.155 1.176 1.00 0.49 H new ATOM 0 HD22 LEU A 3 2.971 -10.841 2.720 1.00 0.49 H new ATOM 0 HD23 LEU A 3 3.016 -11.828 1.240 1.00 0.49 H new ATOM 243 N PRO A 4 4.327 -13.646 3.719 1.00 0.50 N ATOM 244 CA PRO A 4 5.235 -13.594 4.860 1.00 0.54 C ATOM 245 C PRO A 4 4.686 -12.666 5.934 1.00 0.47 C ATOM 246 O PRO A 4 4.373 -11.506 5.658 1.00 0.42 O ATOM 247 CB PRO A 4 6.533 -13.033 4.271 1.00 0.60 C ATOM 248 CG PRO A 4 6.451 -13.327 2.813 1.00 0.61 C ATOM 249 CD PRO A 4 4.991 -13.266 2.462 1.00 0.52 C ATOM 0 HA PRO A 4 5.375 -14.565 5.336 1.00 0.54 H new ATOM 0 HB2 PRO A 4 6.619 -11.962 4.454 1.00 0.60 H new ATOM 0 HB3 PRO A 4 7.407 -13.504 4.721 1.00 0.60 H new ATOM 0 HG2 PRO A 4 7.022 -12.600 2.235 1.00 0.61 H new ATOM 0 HG3 PRO A 4 6.866 -14.310 2.589 1.00 0.61 H new ATOM 0 HD2 PRO A 4 4.696 -12.268 2.137 1.00 0.52 H new ATOM 0 HD3 PRO A 4 4.743 -13.952 1.652 1.00 0.52 H new ATOM 257 N ASP A 5 4.561 -13.188 7.150 1.00 0.51 N ATOM 258 CA ASP A 5 3.957 -12.449 8.257 1.00 0.51 C ATOM 259 C ASP A 5 4.684 -11.135 8.518 1.00 0.45 C ATOM 260 O ASP A 5 4.133 -10.225 9.132 1.00 0.44 O ATOM 261 CB ASP A 5 3.953 -13.293 9.536 1.00 0.63 C ATOM 262 CG ASP A 5 5.329 -13.409 10.162 1.00 1.50 C ATOM 263 OD1 ASP A 5 5.595 -12.709 11.160 1.00 2.09 O ATOM 264 OD2 ASP A 5 6.150 -14.203 9.661 1.00 2.19 O ATOM 0 H ASP A 5 4.872 -14.128 7.396 1.00 0.51 H new ATOM 0 HA ASP A 5 2.930 -12.224 7.969 1.00 0.51 H new ATOM 0 HB2 ASP A 5 3.266 -12.850 10.257 1.00 0.63 H new ATOM 0 HB3 ASP A 5 3.576 -14.290 9.308 1.00 0.63 H new ATOM 269 N LYS A 6 5.923 -11.045 8.055 1.00 0.45 N ATOM 270 CA LYS A 6 6.720 -9.841 8.219 1.00 0.45 C ATOM 271 C LYS A 6 6.109 -8.655 7.467 1.00 0.38 C ATOM 272 O LYS A 6 6.464 -7.507 7.721 1.00 0.42 O ATOM 273 CB LYS A 6 8.149 -10.106 7.742 1.00 0.56 C ATOM 274 CG LYS A 6 9.184 -9.159 8.326 1.00 1.10 C ATOM 275 CD LYS A 6 10.593 -9.610 7.983 1.00 1.64 C ATOM 276 CE LYS A 6 11.639 -8.802 8.731 1.00 2.01 C ATOM 277 NZ LYS A 6 13.010 -9.323 8.495 1.00 2.53 N ATOM 0 H LYS A 6 6.399 -11.799 7.559 1.00 0.45 H new ATOM 0 HA LYS A 6 6.735 -9.578 9.277 1.00 0.45 H new ATOM 0 HB2 LYS A 6 8.423 -11.129 7.999 1.00 0.56 H new ATOM 0 HB3 LYS A 6 8.177 -10.032 6.655 1.00 0.56 H new ATOM 0 HG2 LYS A 6 9.018 -8.152 7.943 1.00 1.10 H new ATOM 0 HG3 LYS A 6 9.068 -9.111 9.409 1.00 1.10 H new ATOM 0 HD2 LYS A 6 10.706 -10.666 8.227 1.00 1.64 H new ATOM 0 HD3 LYS A 6 10.756 -9.511 6.910 1.00 1.64 H new ATOM 0 HE2 LYS A 6 11.587 -7.760 8.416 1.00 2.01 H new ATOM 0 HE3 LYS A 6 11.420 -8.824 9.799 1.00 2.01 H new ATOM 0 HZ1 LYS A 6 13.696 -8.746 9.022 1.00 2.53 H new ATOM 0 HZ2 LYS A 6 13.067 -10.310 8.818 1.00 2.53 H new ATOM 0 HZ3 LYS A 6 13.228 -9.279 7.479 1.00 2.53 H new ATOM 291 N PHE A 7 5.186 -8.922 6.543 1.00 0.36 N ATOM 292 CA PHE A 7 4.505 -7.851 5.825 1.00 0.35 C ATOM 293 C PHE A 7 3.154 -7.557 6.461 1.00 0.32 C ATOM 294 O PHE A 7 2.439 -6.656 6.028 1.00 0.35 O ATOM 295 CB PHE A 7 4.297 -8.221 4.350 1.00 0.39 C ATOM 296 CG PHE A 7 5.572 -8.433 3.586 1.00 0.42 C ATOM 297 CD1 PHE A 7 6.573 -7.477 3.600 1.00 0.52 C ATOM 298 CD2 PHE A 7 5.772 -9.592 2.855 1.00 0.48 C ATOM 299 CE1 PHE A 7 7.745 -7.669 2.898 1.00 0.60 C ATOM 300 CE2 PHE A 7 6.942 -9.789 2.151 1.00 0.54 C ATOM 301 CZ PHE A 7 7.929 -8.825 2.172 1.00 0.57 C ATOM 0 H PHE A 7 4.896 -9.863 6.277 1.00 0.36 H new ATOM 0 HA PHE A 7 5.136 -6.964 5.882 1.00 0.35 H new ATOM 0 HB2 PHE A 7 3.698 -9.130 4.295 1.00 0.39 H new ATOM 0 HB3 PHE A 7 3.723 -7.431 3.866 1.00 0.39 H new ATOM 0 HD1 PHE A 7 6.435 -6.569 4.168 1.00 0.52 H new ATOM 0 HD2 PHE A 7 5.003 -10.350 2.836 1.00 0.48 H new ATOM 0 HE1 PHE A 7 8.517 -6.914 2.918 1.00 0.60 H new ATOM 0 HE2 PHE A 7 7.085 -10.697 1.584 1.00 0.54 H new ATOM 0 HZ PHE A 7 8.845 -8.977 1.620 1.00 0.57 H new ATOM 311 N LEU A 8 2.816 -8.311 7.498 1.00 0.30 N ATOM 312 CA LEU A 8 1.504 -8.212 8.115 1.00 0.29 C ATOM 313 C LEU A 8 1.557 -7.369 9.384 1.00 0.29 C ATOM 314 O LEU A 8 2.577 -7.322 10.076 1.00 0.33 O ATOM 315 CB LEU A 8 0.968 -9.611 8.425 1.00 0.34 C ATOM 316 CG LEU A 8 0.834 -10.528 7.209 1.00 0.37 C ATOM 317 CD1 LEU A 8 0.414 -11.923 7.627 1.00 0.46 C ATOM 318 CD2 LEU A 8 -0.163 -9.952 6.219 1.00 0.35 C ATOM 0 H LEU A 8 3.434 -8.998 7.929 1.00 0.30 H new ATOM 0 HA LEU A 8 0.830 -7.719 7.414 1.00 0.29 H new ATOM 0 HB2 LEU A 8 1.629 -10.086 9.150 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -0.009 -9.514 8.899 1.00 0.34 H new ATOM 0 HG LEU A 8 1.809 -10.596 6.726 1.00 0.37 H new ATOM 0 HD11 LEU A 8 0.326 -12.556 6.744 1.00 0.46 H new ATOM 0 HD12 LEU A 8 1.162 -12.342 8.300 1.00 0.46 H new ATOM 0 HD13 LEU A 8 -0.548 -11.876 8.137 1.00 0.46 H new ATOM 0 HD21 LEU A 8 -0.247 -10.616 5.359 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -1.137 -9.854 6.699 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.178 -8.971 5.888 1.00 0.35 H new ATOM 330 N GLY A 9 0.445 -6.718 9.681 1.00 0.32 N ATOM 331 CA GLY A 9 0.362 -5.858 10.841 1.00 0.33 C ATOM 332 C GLY A 9 -0.277 -4.528 10.515 1.00 0.31 C ATOM 333 O GLY A 9 -0.686 -4.291 9.378 1.00 0.52 O ATOM 0 H GLY A 9 -0.413 -6.771 9.131 1.00 0.32 H new ATOM 0 HA2 GLY A 9 -0.214 -6.356 11.621 1.00 0.33 H new ATOM 0 HA3 GLY A 9 1.362 -5.691 11.241 1.00 0.33 H new ATOM 337 N THR A 10 -0.379 -3.667 11.512 1.00 0.34 N ATOM 338 CA THR A 10 -0.905 -2.331 11.326 1.00 0.35 C ATOM 339 C THR A 10 0.212 -1.307 11.492 1.00 0.32 C ATOM 340 O THR A 10 0.932 -1.325 12.492 1.00 0.40 O ATOM 341 CB THR A 10 -2.029 -2.052 12.338 1.00 0.38 C ATOM 342 OG1 THR A 10 -3.037 -3.061 12.219 1.00 1.05 O ATOM 343 CG2 THR A 10 -2.642 -0.683 12.109 1.00 0.99 C ATOM 0 H THR A 10 -0.100 -3.876 12.470 1.00 0.34 H new ATOM 0 HA THR A 10 -1.316 -2.253 10.319 1.00 0.35 H new ATOM 0 HB THR A 10 -1.604 -2.070 13.342 1.00 0.38 H new ATOM 0 HG1 THR A 10 -3.753 -2.886 12.864 1.00 1.05 H new ATOM 0 HG21 THR A 10 -3.434 -0.512 12.838 1.00 0.99 H new ATOM 0 HG22 THR A 10 -1.874 0.083 12.221 1.00 0.99 H new ATOM 0 HG23 THR A 10 -3.059 -0.635 11.103 1.00 0.99 H new ATOM 351 N PHE A 11 0.370 -0.440 10.501 1.00 0.27 N ATOM 352 CA PHE A 11 1.457 0.532 10.499 1.00 0.27 C ATOM 353 C PHE A 11 0.928 1.948 10.294 1.00 0.28 C ATOM 354 O PHE A 11 0.100 2.180 9.412 1.00 0.32 O ATOM 355 CB PHE A 11 2.450 0.199 9.376 1.00 0.31 C ATOM 356 CG PHE A 11 2.912 -1.232 9.368 1.00 0.33 C ATOM 357 CD1 PHE A 11 3.986 -1.629 10.154 1.00 0.42 C ATOM 358 CD2 PHE A 11 2.278 -2.177 8.580 1.00 0.38 C ATOM 359 CE1 PHE A 11 4.414 -2.943 10.151 1.00 0.47 C ATOM 360 CE2 PHE A 11 2.704 -3.491 8.573 1.00 0.43 C ATOM 361 CZ PHE A 11 3.761 -3.878 9.352 1.00 0.44 C ATOM 0 H PHE A 11 -0.242 -0.389 9.686 1.00 0.27 H new ATOM 0 HA PHE A 11 1.956 0.482 11.467 1.00 0.27 H new ATOM 0 HB2 PHE A 11 1.985 0.425 8.416 1.00 0.31 H new ATOM 0 HB3 PHE A 11 3.319 0.850 9.470 1.00 0.31 H new ATOM 0 HD1 PHE A 11 4.492 -0.903 10.774 1.00 0.42 H new ATOM 0 HD2 PHE A 11 1.441 -1.884 7.964 1.00 0.38 H new ATOM 0 HE1 PHE A 11 5.250 -3.243 10.765 1.00 0.47 H new ATOM 0 HE2 PHE A 11 2.201 -4.216 7.950 1.00 0.43 H new ATOM 0 HZ PHE A 11 4.088 -4.907 9.347 1.00 0.44 H new ATOM 371 N LYS A 12 1.400 2.894 11.103 1.00 0.29 N ATOM 372 CA LYS A 12 1.074 4.297 10.877 1.00 0.33 C ATOM 373 C LYS A 12 2.164 4.971 10.040 1.00 0.27 C ATOM 374 O LYS A 12 3.353 4.714 10.232 1.00 0.69 O ATOM 375 CB LYS A 12 0.921 5.039 12.199 1.00 0.48 C ATOM 376 CG LYS A 12 2.196 5.083 13.019 1.00 0.78 C ATOM 377 CD LYS A 12 2.084 6.059 14.172 1.00 1.28 C ATOM 378 CE LYS A 12 1.873 7.484 13.682 1.00 1.72 C ATOM 379 NZ LYS A 12 1.850 8.455 14.804 1.00 2.19 N ATOM 0 H LYS A 12 2.000 2.717 11.909 1.00 0.29 H new ATOM 0 HA LYS A 12 0.128 4.337 10.338 1.00 0.33 H new ATOM 0 HB2 LYS A 12 0.592 6.059 11.998 1.00 0.48 H new ATOM 0 HB3 LYS A 12 0.137 4.561 12.786 1.00 0.48 H new ATOM 0 HG2 LYS A 12 2.416 4.087 13.404 1.00 0.78 H new ATOM 0 HG3 LYS A 12 3.031 5.369 12.379 1.00 0.78 H new ATOM 0 HD2 LYS A 12 1.254 5.768 14.816 1.00 1.28 H new ATOM 0 HD3 LYS A 12 2.989 6.012 14.778 1.00 1.28 H new ATOM 0 HE2 LYS A 12 2.669 7.751 12.987 1.00 1.72 H new ATOM 0 HE3 LYS A 12 0.935 7.544 13.131 1.00 1.72 H new ATOM 0 HZ1 LYS A 12 1.704 9.414 14.430 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 1.075 8.216 15.454 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 2.755 8.416 15.315 1.00 2.19 H new ATOM 393 N LEU A 13 1.754 5.803 9.090 1.00 0.60 N ATOM 394 CA LEU A 13 2.700 6.588 8.297 1.00 0.50 C ATOM 395 C LEU A 13 3.606 7.413 9.209 1.00 0.46 C ATOM 396 O LEU A 13 3.128 8.226 10.001 1.00 0.52 O ATOM 397 CB LEU A 13 1.934 7.506 7.332 1.00 0.52 C ATOM 398 CG LEU A 13 2.735 8.049 6.139 1.00 0.55 C ATOM 399 CD1 LEU A 13 1.797 8.652 5.114 1.00 1.14 C ATOM 400 CD2 LEU A 13 3.747 9.091 6.574 1.00 1.04 C ATOM 0 H LEU A 13 0.775 5.953 8.848 1.00 0.60 H new ATOM 0 HA LEU A 13 3.325 5.908 7.718 1.00 0.50 H new ATOM 0 HB2 LEU A 13 1.074 6.958 6.947 1.00 0.52 H new ATOM 0 HB3 LEU A 13 1.546 8.352 7.899 1.00 0.52 H new ATOM 0 HG LEU A 13 3.276 7.212 5.697 1.00 0.55 H new ATOM 0 HD11 LEU A 13 2.375 9.034 4.272 1.00 1.14 H new ATOM 0 HD12 LEU A 13 1.104 7.888 4.761 1.00 1.14 H new ATOM 0 HD13 LEU A 13 1.236 9.468 5.570 1.00 1.14 H new ATOM 0 HD21 LEU A 13 4.295 9.452 5.703 1.00 1.04 H new ATOM 0 HD22 LEU A 13 3.230 9.925 7.049 1.00 1.04 H new ATOM 0 HD23 LEU A 13 4.445 8.646 7.283 1.00 1.04 H new ATOM 412 N GLU A 14 4.910 7.195 9.096 1.00 0.45 N ATOM 413 CA GLU A 14 5.879 7.928 9.893 1.00 0.48 C ATOM 414 C GLU A 14 6.399 9.138 9.118 1.00 0.45 C ATOM 415 O GLU A 14 6.349 10.269 9.604 1.00 0.49 O ATOM 416 CB GLU A 14 7.036 7.003 10.275 1.00 0.55 C ATOM 417 CG GLU A 14 8.031 7.614 11.251 1.00 0.67 C ATOM 418 CD GLU A 14 7.410 7.960 12.590 1.00 1.17 C ATOM 419 OE1 GLU A 14 6.831 9.056 12.714 1.00 2.08 O ATOM 420 OE2 GLU A 14 7.481 7.128 13.521 1.00 1.56 O ATOM 0 H GLU A 14 5.320 6.514 8.457 1.00 0.45 H new ATOM 0 HA GLU A 14 5.395 8.286 10.802 1.00 0.48 H new ATOM 0 HB2 GLU A 14 6.628 6.092 10.713 1.00 0.55 H new ATOM 0 HB3 GLU A 14 7.567 6.711 9.369 1.00 0.55 H new ATOM 0 HG2 GLU A 14 8.854 6.916 11.408 1.00 0.67 H new ATOM 0 HG3 GLU A 14 8.457 8.515 10.810 1.00 0.67 H new ATOM 427 N ARG A 15 6.878 8.896 7.899 1.00 0.42 N ATOM 428 CA ARG A 15 7.447 9.955 7.070 1.00 0.44 C ATOM 429 C ARG A 15 7.535 9.492 5.617 1.00 0.37 C ATOM 430 O ARG A 15 6.991 8.445 5.263 1.00 0.38 O ATOM 431 CB ARG A 15 8.835 10.338 7.587 1.00 0.51 C ATOM 432 CG ARG A 15 9.889 9.272 7.358 1.00 0.53 C ATOM 433 CD ARG A 15 11.203 9.643 8.014 1.00 0.77 C ATOM 434 NE ARG A 15 11.680 10.964 7.599 1.00 1.68 N ATOM 435 CZ ARG A 15 12.685 11.607 8.191 1.00 2.34 C ATOM 436 NH1 ARG A 15 13.319 11.051 9.213 1.00 2.45 N ATOM 437 NH2 ARG A 15 13.050 12.811 7.765 1.00 3.36 N ATOM 0 H ARG A 15 6.883 7.974 7.464 1.00 0.42 H new ATOM 0 HA ARG A 15 6.800 10.830 7.121 1.00 0.44 H new ATOM 0 HB2 ARG A 15 9.152 11.260 7.100 1.00 0.51 H new ATOM 0 HB3 ARG A 15 8.770 10.548 8.655 1.00 0.51 H new ATOM 0 HG2 ARG A 15 9.538 8.320 7.756 1.00 0.53 H new ATOM 0 HG3 ARG A 15 10.042 9.133 6.288 1.00 0.53 H new ATOM 0 HD2 ARG A 15 11.083 9.627 9.097 1.00 0.77 H new ATOM 0 HD3 ARG A 15 11.955 8.894 7.766 1.00 0.77 H new ATOM 0 HE ARG A 15 11.216 11.417 6.812 1.00 1.68 H new ATOM 0 HH11 ARG A 15 13.038 10.129 9.547 1.00 2.45 H new ATOM 0 HH12 ARG A 15 14.088 11.545 9.665 1.00 2.45 H new ATOM 0 HH21 ARG A 15 12.560 13.245 6.983 1.00 3.36 H new ATOM 0 HH22 ARG A 15 13.820 13.301 8.220 1.00 3.36 H new ATOM 451 N ASP A 16 8.225 10.258 4.780 1.00 0.38 N ATOM 452 CA ASP A 16 8.322 9.934 3.360 1.00 0.43 C ATOM 453 C ASP A 16 9.666 10.361 2.791 1.00 0.39 C ATOM 454 O ASP A 16 10.546 10.814 3.523 1.00 0.52 O ATOM 455 CB ASP A 16 7.195 10.611 2.571 1.00 0.66 C ATOM 456 CG ASP A 16 7.361 12.117 2.479 1.00 0.68 C ATOM 457 OD1 ASP A 16 6.802 12.834 3.333 1.00 1.19 O ATOM 458 OD2 ASP A 16 8.043 12.594 1.546 1.00 0.72 O ATOM 0 H ASP A 16 8.723 11.104 5.057 1.00 0.38 H new ATOM 0 HA ASP A 16 8.228 8.852 3.264 1.00 0.43 H new ATOM 0 HB2 ASP A 16 7.160 10.192 1.565 1.00 0.66 H new ATOM 0 HB3 ASP A 16 6.240 10.384 3.044 1.00 0.66 H new ATOM 463 N GLU A 17 9.810 10.216 1.479 1.00 0.36 N ATOM 464 CA GLU A 17 11.038 10.571 0.787 1.00 0.38 C ATOM 465 C GLU A 17 10.775 10.708 -0.711 1.00 0.40 C ATOM 466 O GLU A 17 10.511 9.709 -1.379 1.00 0.83 O ATOM 467 CB GLU A 17 12.101 9.499 1.038 1.00 0.48 C ATOM 468 CG GLU A 17 13.422 9.757 0.337 1.00 1.18 C ATOM 469 CD GLU A 17 14.397 8.615 0.520 1.00 1.83 C ATOM 470 OE1 GLU A 17 14.311 7.624 -0.236 1.00 2.66 O ATOM 471 OE2 GLU A 17 15.261 8.708 1.419 1.00 2.13 O ATOM 0 H GLU A 17 9.080 9.850 0.868 1.00 0.36 H new ATOM 0 HA GLU A 17 11.398 11.527 1.168 1.00 0.38 H new ATOM 0 HB2 GLU A 17 12.280 9.425 2.111 1.00 0.48 H new ATOM 0 HB3 GLU A 17 11.712 8.534 0.712 1.00 0.48 H new ATOM 0 HG2 GLU A 17 13.243 9.913 -0.727 1.00 1.18 H new ATOM 0 HG3 GLU A 17 13.864 10.675 0.724 1.00 1.18 H new ATOM 478 N ASN A 18 10.819 11.945 -1.219 1.00 0.34 N ATOM 479 CA ASN A 18 10.651 12.222 -2.656 1.00 0.30 C ATOM 480 C ASN A 18 9.205 11.947 -3.097 1.00 0.28 C ATOM 481 O ASN A 18 8.919 11.705 -4.276 1.00 0.27 O ATOM 482 CB ASN A 18 11.643 11.382 -3.477 1.00 0.32 C ATOM 483 CG ASN A 18 11.976 11.993 -4.827 1.00 0.42 C ATOM 484 OD1 ASN A 18 11.224 11.630 -5.849 1.00 0.76 O flip ATOM 485 ND2 ASN A 18 12.920 12.770 -4.949 1.00 0.66 N flip ATOM 0 H ASN A 18 10.971 12.779 -0.652 1.00 0.34 H new ATOM 0 HA ASN A 18 10.861 13.277 -2.834 1.00 0.30 H new ATOM 0 HB2 ASN A 18 12.563 11.258 -2.906 1.00 0.32 H new ATOM 0 HB3 ASN A 18 11.226 10.387 -3.630 1.00 0.32 H new ATOM 0 HD21 ASN A 18 13.478 13.027 -4.135 1.00 0.66 H new ATOM 0 HD22 ASN A 18 13.146 13.159 -5.865 1.00 0.66 H new ATOM 492 N PHE A 19 8.294 12.021 -2.138 1.00 0.30 N ATOM 493 CA PHE A 19 6.902 11.668 -2.378 1.00 0.31 C ATOM 494 C PHE A 19 6.194 12.735 -3.203 1.00 0.31 C ATOM 495 O PHE A 19 5.416 12.418 -4.104 1.00 0.32 O ATOM 496 CB PHE A 19 6.160 11.444 -1.060 1.00 0.37 C ATOM 497 CG PHE A 19 4.737 11.013 -1.257 1.00 0.36 C ATOM 498 CD1 PHE A 19 4.448 9.750 -1.749 1.00 0.45 C ATOM 499 CD2 PHE A 19 3.692 11.870 -0.968 1.00 0.45 C ATOM 500 CE1 PHE A 19 3.142 9.352 -1.948 1.00 0.49 C ATOM 501 CE2 PHE A 19 2.383 11.477 -1.161 1.00 0.48 C ATOM 502 CZ PHE A 19 2.107 10.216 -1.654 1.00 0.44 C ATOM 0 H PHE A 19 8.494 12.323 -1.184 1.00 0.30 H new ATOM 0 HA PHE A 19 6.895 10.737 -2.945 1.00 0.31 H new ATOM 0 HB2 PHE A 19 6.686 10.688 -0.477 1.00 0.37 H new ATOM 0 HB3 PHE A 19 6.178 12.365 -0.478 1.00 0.37 H new ATOM 0 HD1 PHE A 19 5.254 9.069 -1.979 1.00 0.45 H new ATOM 0 HD2 PHE A 19 3.902 12.858 -0.587 1.00 0.45 H new ATOM 0 HE1 PHE A 19 2.930 8.366 -2.333 1.00 0.49 H new ATOM 0 HE2 PHE A 19 1.575 12.155 -0.927 1.00 0.48 H new ATOM 0 HZ PHE A 19 1.084 9.907 -1.809 1.00 0.44 H new ATOM 512 N ASP A 20 6.463 13.997 -2.895 1.00 0.33 N ATOM 513 CA ASP A 20 5.860 15.107 -3.623 1.00 0.37 C ATOM 514 C ASP A 20 6.175 15.012 -5.112 1.00 0.33 C ATOM 515 O ASP A 20 5.281 15.106 -5.956 1.00 0.33 O ATOM 516 CB ASP A 20 6.361 16.440 -3.062 1.00 0.46 C ATOM 517 CG ASP A 20 5.708 17.635 -3.725 1.00 1.08 C ATOM 518 OD1 ASP A 20 6.338 18.245 -4.615 1.00 1.22 O ATOM 519 OD2 ASP A 20 4.557 17.958 -3.376 1.00 2.04 O ATOM 0 H ASP A 20 7.095 14.278 -2.146 1.00 0.33 H new ATOM 0 HA ASP A 20 4.779 15.053 -3.497 1.00 0.37 H new ATOM 0 HB2 ASP A 20 6.168 16.474 -1.990 1.00 0.46 H new ATOM 0 HB3 ASP A 20 7.441 16.502 -3.193 1.00 0.46 H new ATOM 524 N GLU A 21 7.447 14.801 -5.428 1.00 0.34 N ATOM 525 CA GLU A 21 7.880 14.658 -6.813 1.00 0.35 C ATOM 526 C GLU A 21 7.200 13.477 -7.492 1.00 0.31 C ATOM 527 O GLU A 21 6.896 13.536 -8.688 1.00 0.34 O ATOM 528 CB GLU A 21 9.396 14.521 -6.892 1.00 0.41 C ATOM 529 CG GLU A 21 10.107 15.797 -6.509 1.00 0.51 C ATOM 530 CD GLU A 21 11.613 15.697 -6.564 1.00 1.14 C ATOM 531 OE1 GLU A 21 12.167 15.637 -7.683 1.00 1.65 O ATOM 532 OE2 GLU A 21 12.251 15.712 -5.493 1.00 1.79 O ATOM 0 H GLU A 21 8.198 14.725 -4.742 1.00 0.34 H new ATOM 0 HA GLU A 21 7.584 15.562 -7.345 1.00 0.35 H new ATOM 0 HB2 GLU A 21 9.721 13.715 -6.234 1.00 0.41 H new ATOM 0 HB3 GLU A 21 9.681 14.239 -7.906 1.00 0.41 H new ATOM 0 HG2 GLU A 21 9.781 16.597 -7.174 1.00 0.51 H new ATOM 0 HG3 GLU A 21 9.808 16.080 -5.500 1.00 0.51 H new ATOM 539 N TYR A 22 6.965 12.407 -6.740 1.00 0.29 N ATOM 540 CA TYR A 22 6.212 11.276 -7.265 1.00 0.28 C ATOM 541 C TYR A 22 4.801 11.707 -7.665 1.00 0.30 C ATOM 542 O TYR A 22 4.280 11.285 -8.700 1.00 0.33 O ATOM 543 CB TYR A 22 6.138 10.152 -6.230 1.00 0.30 C ATOM 544 CG TYR A 22 5.243 9.013 -6.653 1.00 0.34 C ATOM 545 CD1 TYR A 22 3.944 8.915 -6.178 1.00 0.41 C ATOM 546 CD2 TYR A 22 5.699 8.028 -7.522 1.00 0.38 C ATOM 547 CE1 TYR A 22 3.126 7.870 -6.556 1.00 0.48 C ATOM 548 CE2 TYR A 22 4.886 6.981 -7.902 1.00 0.44 C ATOM 549 CZ TYR A 22 3.594 6.923 -7.447 1.00 0.50 C ATOM 550 OH TYR A 22 2.780 5.871 -7.798 1.00 0.57 O ATOM 0 H TYR A 22 7.281 12.300 -5.776 1.00 0.29 H new ATOM 0 HA TYR A 22 6.731 10.907 -8.150 1.00 0.28 H new ATOM 0 HB2 TYR A 22 7.142 9.768 -6.047 1.00 0.30 H new ATOM 0 HB3 TYR A 22 5.776 10.559 -5.286 1.00 0.30 H new ATOM 0 HD1 TYR A 22 3.567 9.668 -5.502 1.00 0.41 H new ATOM 0 HD2 TYR A 22 6.707 8.084 -7.906 1.00 0.38 H new ATOM 0 HE1 TYR A 22 2.125 7.793 -6.158 1.00 0.48 H new ATOM 0 HE2 TYR A 22 5.266 6.210 -8.556 1.00 0.44 H new ATOM 0 HH TYR A 22 1.842 6.149 -7.740 1.00 0.57 H new ATOM 560 N LEU A 23 4.196 12.563 -6.847 1.00 0.28 N ATOM 561 CA LEU A 23 2.835 13.026 -7.090 1.00 0.30 C ATOM 562 C LEU A 23 2.763 13.824 -8.386 1.00 0.34 C ATOM 563 O LEU A 23 1.804 13.704 -9.147 1.00 0.37 O ATOM 564 CB LEU A 23 2.351 13.882 -5.921 1.00 0.30 C ATOM 565 CG LEU A 23 2.208 13.139 -4.597 1.00 0.28 C ATOM 566 CD1 LEU A 23 1.855 14.105 -3.481 1.00 0.33 C ATOM 567 CD2 LEU A 23 1.151 12.055 -4.714 1.00 0.32 C ATOM 0 H LEU A 23 4.628 12.950 -6.008 1.00 0.28 H new ATOM 0 HA LEU A 23 2.187 12.154 -7.183 1.00 0.30 H new ATOM 0 HB2 LEU A 23 3.047 14.710 -5.783 1.00 0.30 H new ATOM 0 HB3 LEU A 23 1.386 14.317 -6.183 1.00 0.30 H new ATOM 0 HG LEU A 23 3.162 12.670 -4.357 1.00 0.28 H new ATOM 0 HD11 LEU A 23 1.757 13.558 -2.544 1.00 0.33 H new ATOM 0 HD12 LEU A 23 2.642 14.852 -3.384 1.00 0.33 H new ATOM 0 HD13 LEU A 23 0.912 14.600 -3.713 1.00 0.33 H new ATOM 0 HD21 LEU A 23 1.059 11.532 -3.762 1.00 0.32 H new ATOM 0 HD22 LEU A 23 0.194 12.507 -4.974 1.00 0.32 H new ATOM 0 HD23 LEU A 23 1.441 11.347 -5.490 1.00 0.32 H new ATOM 579 N LYS A 24 3.799 14.619 -8.636 1.00 0.34 N ATOM 580 CA LYS A 24 3.874 15.423 -9.853 1.00 0.39 C ATOM 581 C LYS A 24 3.892 14.519 -11.079 1.00 0.40 C ATOM 582 O LYS A 24 3.144 14.731 -12.033 1.00 0.44 O ATOM 583 CB LYS A 24 5.130 16.295 -9.839 1.00 0.41 C ATOM 584 CG LYS A 24 5.193 17.271 -8.675 1.00 0.45 C ATOM 585 CD LYS A 24 6.482 18.076 -8.698 1.00 0.55 C ATOM 586 CE LYS A 24 6.544 19.065 -7.547 1.00 1.35 C ATOM 587 NZ LYS A 24 7.815 19.839 -7.541 1.00 1.88 N ATOM 0 H LYS A 24 4.599 14.724 -8.012 1.00 0.34 H new ATOM 0 HA LYS A 24 2.996 16.067 -9.895 1.00 0.39 H new ATOM 0 HB2 LYS A 24 6.008 15.649 -9.806 1.00 0.41 H new ATOM 0 HB3 LYS A 24 5.181 16.855 -10.773 1.00 0.41 H new ATOM 0 HG2 LYS A 24 4.339 17.947 -8.718 1.00 0.45 H new ATOM 0 HG3 LYS A 24 5.120 16.724 -7.735 1.00 0.45 H new ATOM 0 HD2 LYS A 24 7.335 17.400 -8.644 1.00 0.55 H new ATOM 0 HD3 LYS A 24 6.560 18.612 -9.644 1.00 0.55 H new ATOM 0 HE2 LYS A 24 5.701 19.753 -7.615 1.00 1.35 H new ATOM 0 HE3 LYS A 24 6.442 18.529 -6.603 1.00 1.35 H new ATOM 0 HZ1 LYS A 24 7.814 20.501 -6.739 1.00 1.88 H new ATOM 0 HZ2 LYS A 24 8.619 19.186 -7.450 1.00 1.88 H new ATOM 0 HZ3 LYS A 24 7.901 20.372 -8.430 1.00 1.88 H new ATOM 601 N ALA A 25 4.747 13.505 -11.027 1.00 0.40 N ATOM 602 CA ALA A 25 4.874 12.535 -12.113 1.00 0.43 C ATOM 603 C ALA A 25 3.551 11.813 -12.363 1.00 0.43 C ATOM 604 O ALA A 25 3.199 11.512 -13.504 1.00 0.44 O ATOM 605 CB ALA A 25 5.971 11.532 -11.793 1.00 0.43 C ATOM 0 H ALA A 25 5.369 13.330 -10.238 1.00 0.40 H new ATOM 0 HA ALA A 25 5.140 13.074 -13.022 1.00 0.43 H new ATOM 0 HB1 ALA A 25 6.057 10.814 -12.609 1.00 0.43 H new ATOM 0 HB2 ALA A 25 6.919 12.056 -11.670 1.00 0.43 H new ATOM 0 HB3 ALA A 25 5.725 11.006 -10.871 1.00 0.43 H new ATOM 611 N ARG A 26 2.820 11.554 -11.288 1.00 0.43 N ATOM 612 CA ARG A 26 1.529 10.870 -11.373 1.00 0.45 C ATOM 613 C ARG A 26 0.439 11.790 -11.910 1.00 0.47 C ATOM 614 O ARG A 26 -0.659 11.340 -12.237 1.00 0.51 O ATOM 615 CB ARG A 26 1.128 10.321 -10.005 1.00 0.48 C ATOM 616 CG ARG A 26 1.888 9.070 -9.607 1.00 0.85 C ATOM 617 CD ARG A 26 1.491 7.882 -10.468 1.00 0.72 C ATOM 618 NE ARG A 26 0.101 7.493 -10.249 1.00 0.76 N ATOM 619 CZ ARG A 26 -0.753 7.162 -11.218 1.00 0.78 C ATOM 620 NH1 ARG A 26 -0.353 7.141 -12.485 1.00 1.29 N ATOM 621 NH2 ARG A 26 -2.001 6.835 -10.912 1.00 1.06 N ATOM 0 H ARG A 26 3.098 11.807 -10.340 1.00 0.43 H new ATOM 0 HA ARG A 26 1.640 10.042 -12.073 1.00 0.45 H new ATOM 0 HB2 ARG A 26 1.292 11.091 -9.251 1.00 0.48 H new ATOM 0 HB3 ARG A 26 0.060 10.102 -10.009 1.00 0.48 H new ATOM 0 HG2 ARG A 26 2.959 9.248 -9.701 1.00 0.85 H new ATOM 0 HG3 ARG A 26 1.694 8.843 -8.559 1.00 0.85 H new ATOM 0 HD2 ARG A 26 1.638 8.130 -11.519 1.00 0.72 H new ATOM 0 HD3 ARG A 26 2.144 7.038 -10.246 1.00 0.72 H new ATOM 0 HE ARG A 26 -0.241 7.473 -9.288 1.00 0.76 H new ATOM 0 HH11 ARG A 26 0.611 7.379 -12.720 1.00 1.29 H new ATOM 0 HH12 ARG A 26 -1.010 6.887 -13.223 1.00 1.29 H new ATOM 0 HH21 ARG A 26 -2.305 6.837 -9.938 1.00 1.06 H new ATOM 0 HH22 ARG A 26 -2.657 6.581 -11.650 1.00 1.06 H new ATOM 635 N GLY A 27 0.739 13.076 -11.998 1.00 0.46 N ATOM 636 CA GLY A 27 -0.203 14.012 -12.573 1.00 0.49 C ATOM 637 C GLY A 27 -0.977 14.786 -11.529 1.00 0.50 C ATOM 638 O GLY A 27 -1.962 15.451 -11.847 1.00 0.62 O ATOM 0 H GLY A 27 1.617 13.488 -11.682 1.00 0.46 H new ATOM 0 HA2 GLY A 27 0.334 14.712 -13.213 1.00 0.49 H new ATOM 0 HA3 GLY A 27 -0.903 13.470 -13.209 1.00 0.49 H new ATOM 642 N TYR A 28 -0.544 14.705 -10.279 1.00 0.48 N ATOM 643 CA TYR A 28 -1.182 15.456 -9.211 1.00 0.53 C ATOM 644 C TYR A 28 -0.610 16.862 -9.145 1.00 0.56 C ATOM 645 O TYR A 28 0.601 17.047 -8.996 1.00 0.54 O ATOM 646 CB TYR A 28 -1.000 14.754 -7.862 1.00 0.51 C ATOM 647 CG TYR A 28 -1.693 13.414 -7.776 1.00 0.53 C ATOM 648 CD1 TYR A 28 -0.987 12.233 -7.941 1.00 0.52 C ATOM 649 CD2 TYR A 28 -3.058 13.334 -7.533 1.00 0.59 C ATOM 650 CE1 TYR A 28 -1.619 11.007 -7.871 1.00 0.54 C ATOM 651 CE2 TYR A 28 -3.698 12.114 -7.458 1.00 0.63 C ATOM 652 CZ TYR A 28 -2.974 10.953 -7.629 1.00 0.60 C ATOM 653 OH TYR A 28 -3.609 9.735 -7.569 1.00 0.64 O ATOM 0 H TYR A 28 0.243 14.129 -9.982 1.00 0.48 H new ATOM 0 HA TYR A 28 -2.249 15.513 -9.427 1.00 0.53 H new ATOM 0 HB2 TYR A 28 0.065 14.615 -7.676 1.00 0.51 H new ATOM 0 HB3 TYR A 28 -1.380 15.401 -7.072 1.00 0.51 H new ATOM 0 HD1 TYR A 28 0.076 12.272 -8.128 1.00 0.52 H new ATOM 0 HD2 TYR A 28 -3.628 14.242 -7.401 1.00 0.59 H new ATOM 0 HE1 TYR A 28 -1.054 10.096 -8.005 1.00 0.54 H new ATOM 0 HE2 TYR A 28 -4.760 12.069 -7.266 1.00 0.63 H new ATOM 0 HH TYR A 28 -2.983 9.055 -7.244 1.00 0.64 H new ATOM 663 N GLY A 29 -1.486 17.844 -9.282 1.00 0.68 N ATOM 664 CA GLY A 29 -1.078 19.227 -9.181 1.00 0.80 C ATOM 665 C GLY A 29 -0.885 19.658 -7.743 1.00 0.88 C ATOM 666 O GLY A 29 -1.016 18.843 -6.824 1.00 1.54 O ATOM 0 H GLY A 29 -2.480 17.705 -9.463 1.00 0.68 H new ATOM 0 HA2 GLY A 29 -0.148 19.372 -9.731 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -1.829 19.862 -9.652 1.00 0.80 H new ATOM 670 N TRP A 30 -0.583 20.937 -7.549 1.00 0.54 N ATOM 671 CA TRP A 30 -0.344 21.489 -6.218 1.00 0.56 C ATOM 672 C TRP A 30 -1.472 21.138 -5.253 1.00 0.54 C ATOM 673 O TRP A 30 -1.220 20.749 -4.112 1.00 0.52 O ATOM 674 CB TRP A 30 -0.181 23.013 -6.300 1.00 0.65 C ATOM 675 CG TRP A 30 -0.302 23.698 -4.971 1.00 0.75 C ATOM 676 CD1 TRP A 30 0.676 23.848 -4.030 1.00 0.84 C ATOM 677 CD2 TRP A 30 -1.477 24.315 -4.432 1.00 0.86 C ATOM 678 NE1 TRP A 30 0.176 24.516 -2.937 1.00 0.98 N ATOM 679 CE2 TRP A 30 -1.143 24.811 -3.163 1.00 0.99 C ATOM 680 CE3 TRP A 30 -2.781 24.493 -4.901 1.00 0.91 C ATOM 681 CZ2 TRP A 30 -2.067 25.471 -2.360 1.00 1.14 C ATOM 682 CZ3 TRP A 30 -3.695 25.148 -4.103 1.00 1.07 C ATOM 683 CH2 TRP A 30 -3.334 25.629 -2.843 1.00 1.18 C ATOM 0 H TRP A 30 -0.497 21.618 -8.304 1.00 0.54 H new ATOM 0 HA TRP A 30 0.575 21.045 -5.835 1.00 0.56 H new ATOM 0 HB2 TRP A 30 0.793 23.244 -6.732 1.00 0.65 H new ATOM 0 HB3 TRP A 30 -0.934 23.415 -6.978 1.00 0.65 H new ATOM 0 HD1 TRP A 30 1.692 23.494 -4.129 1.00 0.84 H new ATOM 0 HE1 TRP A 30 0.701 24.753 -2.095 1.00 0.98 H new ATOM 0 HE3 TRP A 30 -3.069 24.123 -5.874 1.00 0.91 H new ATOM 0 HZ2 TRP A 30 -1.791 25.846 -1.386 1.00 1.14 H new ATOM 0 HZ3 TRP A 30 -4.705 25.291 -4.458 1.00 1.07 H new ATOM 0 HH2 TRP A 30 -4.072 26.136 -2.239 1.00 1.18 H new ATOM 694 N ILE A 31 -2.705 21.260 -5.731 1.00 0.60 N ATOM 695 CA ILE A 31 -3.887 21.054 -4.900 1.00 0.63 C ATOM 696 C ILE A 31 -3.851 19.681 -4.285 1.00 0.53 C ATOM 697 O ILE A 31 -3.854 19.525 -3.065 1.00 0.51 O ATOM 698 CB ILE A 31 -5.207 21.167 -5.694 1.00 0.76 C ATOM 699 CG1 ILE A 31 -5.364 22.541 -6.328 1.00 1.05 C ATOM 700 CG2 ILE A 31 -6.390 20.853 -4.800 1.00 0.69 C ATOM 701 CD1 ILE A 31 -4.490 22.718 -7.539 1.00 2.16 C ATOM 0 H ILE A 31 -2.914 21.503 -6.699 1.00 0.60 H new ATOM 0 HA ILE A 31 -3.864 21.838 -4.143 1.00 0.63 H new ATOM 0 HB ILE A 31 -5.173 20.435 -6.501 1.00 0.76 H new ATOM 0 HG12 ILE A 31 -6.406 22.691 -6.611 1.00 1.05 H new ATOM 0 HG13 ILE A 31 -5.120 23.307 -5.592 1.00 1.05 H new ATOM 0 HG21 ILE A 31 -7.313 20.937 -5.374 1.00 0.69 H new ATOM 0 HG22 ILE A 31 -6.295 19.838 -4.413 1.00 0.69 H new ATOM 0 HG23 ILE A 31 -6.415 21.557 -3.969 1.00 0.69 H new ATOM 0 HD11 ILE A 31 -4.640 23.715 -7.953 1.00 2.16 H new ATOM 0 HD12 ILE A 31 -3.445 22.597 -7.254 1.00 2.16 H new ATOM 0 HD13 ILE A 31 -4.751 21.971 -8.288 1.00 2.16 H new ATOM 713 N MET A 32 -3.811 18.683 -5.146 1.00 0.48 N ATOM 714 CA MET A 32 -3.822 17.329 -4.695 1.00 0.43 C ATOM 715 C MET A 32 -2.596 17.027 -3.864 1.00 0.38 C ATOM 716 O MET A 32 -2.701 16.378 -2.834 1.00 0.39 O ATOM 717 CB MET A 32 -3.948 16.363 -5.861 1.00 0.48 C ATOM 718 CG MET A 32 -5.368 16.275 -6.377 1.00 0.55 C ATOM 719 SD MET A 32 -6.081 14.640 -6.179 1.00 0.97 S ATOM 720 CE MET A 32 -6.106 14.561 -4.395 1.00 0.48 C ATOM 0 H MET A 32 -3.771 18.797 -6.159 1.00 0.48 H new ATOM 0 HA MET A 32 -4.698 17.194 -4.060 1.00 0.43 H new ATOM 0 HB2 MET A 32 -3.289 16.682 -6.668 1.00 0.48 H new ATOM 0 HB3 MET A 32 -3.614 15.373 -5.549 1.00 0.48 H new ATOM 0 HG2 MET A 32 -5.986 17.002 -5.851 1.00 0.55 H new ATOM 0 HG3 MET A 32 -5.384 16.548 -7.432 1.00 0.55 H new ATOM 0 HE1 MET A 32 -5.908 13.539 -4.073 1.00 0.48 H new ATOM 0 HE2 MET A 32 -5.341 15.224 -3.991 1.00 0.48 H new ATOM 0 HE3 MET A 32 -7.085 14.872 -4.031 1.00 0.48 H new ATOM 730 N ARG A 33 -1.443 17.536 -4.290 1.00 0.39 N ATOM 731 CA ARG A 33 -0.205 17.326 -3.549 1.00 0.41 C ATOM 732 C ARG A 33 -0.333 17.834 -2.118 1.00 0.45 C ATOM 733 O ARG A 33 0.292 17.295 -1.207 1.00 0.60 O ATOM 734 CB ARG A 33 0.981 17.999 -4.239 1.00 0.49 C ATOM 735 CG ARG A 33 1.399 17.316 -5.532 1.00 0.90 C ATOM 736 CD ARG A 33 2.714 17.865 -6.058 1.00 0.71 C ATOM 737 NE ARG A 33 2.596 19.243 -6.530 1.00 0.77 N ATOM 738 CZ ARG A 33 3.193 20.288 -5.958 1.00 0.99 C ATOM 739 NH1 ARG A 33 3.915 20.135 -4.856 1.00 1.87 N ATOM 740 NH2 ARG A 33 3.069 21.489 -6.498 1.00 1.03 N ATOM 0 H ARG A 33 -1.341 18.093 -5.139 1.00 0.39 H new ATOM 0 HA ARG A 33 -0.021 16.252 -3.525 1.00 0.41 H new ATOM 0 HB2 ARG A 33 0.726 19.037 -4.452 1.00 0.49 H new ATOM 0 HB3 ARG A 33 1.829 18.013 -3.554 1.00 0.49 H new ATOM 0 HG2 ARG A 33 1.494 16.243 -5.363 1.00 0.90 H new ATOM 0 HG3 ARG A 33 0.621 17.452 -6.283 1.00 0.90 H new ATOM 0 HD2 ARG A 33 3.465 17.817 -5.270 1.00 0.71 H new ATOM 0 HD3 ARG A 33 3.067 17.234 -6.874 1.00 0.71 H new ATOM 0 HE ARG A 33 2.018 19.417 -7.352 1.00 0.77 H new ATOM 0 HH11 ARG A 33 4.018 19.210 -4.438 1.00 1.87 H new ATOM 0 HH12 ARG A 33 4.368 20.942 -4.427 1.00 1.87 H new ATOM 0 HH21 ARG A 33 2.519 21.612 -7.348 1.00 1.03 H new ATOM 0 HH22 ARG A 33 3.524 22.293 -6.064 1.00 1.03 H new ATOM 754 N GLN A 34 -1.156 18.858 -1.920 1.00 0.41 N ATOM 755 CA GLN A 34 -1.438 19.342 -0.579 1.00 0.46 C ATOM 756 C GLN A 34 -2.207 18.278 0.188 1.00 0.47 C ATOM 757 O GLN A 34 -1.858 17.935 1.310 1.00 0.58 O ATOM 758 CB GLN A 34 -2.242 20.645 -0.604 1.00 0.51 C ATOM 759 CG GLN A 34 -1.502 21.822 -1.216 1.00 0.80 C ATOM 760 CD GLN A 34 -0.175 22.097 -0.539 1.00 1.39 C ATOM 761 OE1 GLN A 34 -0.102 22.848 0.436 1.00 1.88 O ATOM 762 NE2 GLN A 34 0.887 21.510 -1.066 1.00 1.97 N ATOM 0 H GLN A 34 -1.635 19.363 -2.666 1.00 0.41 H new ATOM 0 HA GLN A 34 -0.488 19.548 -0.086 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -3.163 20.480 -1.162 1.00 0.51 H new ATOM 0 HB3 GLN A 34 -2.529 20.901 0.416 1.00 0.51 H new ATOM 0 HG2 GLN A 34 -1.331 21.627 -2.275 1.00 0.80 H new ATOM 0 HG3 GLN A 34 -2.128 22.712 -1.153 1.00 0.80 H new ATOM 0 HE21 GLN A 34 0.782 20.895 -1.873 1.00 1.97 H new ATOM 0 HE22 GLN A 34 1.811 21.672 -0.665 1.00 1.97 H new ATOM 771 N VAL A 35 -3.227 17.721 -0.449 1.00 0.42 N ATOM 772 CA VAL A 35 -4.077 16.729 0.184 1.00 0.42 C ATOM 773 C VAL A 35 -3.294 15.462 0.509 1.00 0.40 C ATOM 774 O VAL A 35 -3.233 15.047 1.662 1.00 0.44 O ATOM 775 CB VAL A 35 -5.267 16.361 -0.728 1.00 0.45 C ATOM 776 CG1 VAL A 35 -6.156 15.315 -0.077 1.00 0.68 C ATOM 777 CG2 VAL A 35 -6.072 17.599 -1.084 1.00 0.65 C ATOM 0 H VAL A 35 -3.485 17.943 -1.410 1.00 0.42 H new ATOM 0 HA VAL A 35 -4.450 17.168 1.109 1.00 0.42 H new ATOM 0 HB VAL A 35 -4.864 15.934 -1.646 1.00 0.45 H new ATOM 0 HG11 VAL A 35 -6.985 15.077 -0.743 1.00 0.68 H new ATOM 0 HG12 VAL A 35 -5.575 14.413 0.117 1.00 0.68 H new ATOM 0 HG13 VAL A 35 -6.547 15.704 0.863 1.00 0.68 H new ATOM 0 HG21 VAL A 35 -6.906 17.318 -1.727 1.00 0.65 H new ATOM 0 HG22 VAL A 35 -6.455 18.058 -0.173 1.00 0.65 H new ATOM 0 HG23 VAL A 35 -5.433 18.310 -1.608 1.00 0.65 H new ATOM 787 N ILE A 36 -2.715 14.850 -0.526 1.00 0.38 N ATOM 788 CA ILE A 36 -1.980 13.588 -0.386 1.00 0.39 C ATOM 789 C ILE A 36 -0.994 13.626 0.785 1.00 0.46 C ATOM 790 O ILE A 36 -0.947 12.706 1.605 1.00 0.51 O ATOM 791 CB ILE A 36 -1.168 13.214 -1.641 1.00 0.42 C ATOM 792 CG1 ILE A 36 -1.802 13.703 -2.949 1.00 0.47 C ATOM 793 CG2 ILE A 36 -1.002 11.713 -1.680 1.00 0.48 C ATOM 794 CD1 ILE A 36 -3.235 13.290 -3.167 1.00 0.51 C ATOM 0 H ILE A 36 -2.741 15.211 -1.480 1.00 0.38 H new ATOM 0 HA ILE A 36 -2.757 12.843 -0.218 1.00 0.39 H new ATOM 0 HB ILE A 36 -0.203 13.716 -1.566 1.00 0.42 H new ATOM 0 HG12 ILE A 36 -1.747 14.791 -2.975 1.00 0.47 H new ATOM 0 HG13 ILE A 36 -1.205 13.334 -3.783 1.00 0.47 H new ATOM 0 HG21 ILE A 36 -0.429 11.433 -2.564 1.00 0.48 H new ATOM 0 HG22 ILE A 36 -0.475 11.382 -0.785 1.00 0.48 H new ATOM 0 HG23 ILE A 36 -1.983 11.239 -1.719 1.00 0.48 H new ATOM 0 HD11 ILE A 36 -3.587 13.687 -4.119 1.00 0.51 H new ATOM 0 HD12 ILE A 36 -3.302 12.202 -3.180 1.00 0.51 H new ATOM 0 HD13 ILE A 36 -3.853 13.682 -2.360 1.00 0.51 H new ATOM 806 N LYS A 37 -0.207 14.691 0.854 1.00 0.52 N ATOM 807 CA LYS A 37 0.853 14.795 1.851 1.00 0.67 C ATOM 808 C LYS A 37 0.299 15.152 3.228 1.00 0.66 C ATOM 809 O LYS A 37 0.834 14.720 4.248 1.00 0.79 O ATOM 810 CB LYS A 37 1.895 15.828 1.417 1.00 0.91 C ATOM 811 CG LYS A 37 2.565 15.488 0.094 1.00 0.75 C ATOM 812 CD LYS A 37 3.686 16.460 -0.249 1.00 0.94 C ATOM 813 CE LYS A 37 3.186 17.894 -0.356 1.00 0.70 C ATOM 814 NZ LYS A 37 4.242 18.813 -0.851 1.00 0.97 N ATOM 0 H LYS A 37 -0.282 15.496 0.232 1.00 0.52 H new ATOM 0 HA LYS A 37 1.330 13.818 1.927 1.00 0.67 H new ATOM 0 HB2 LYS A 37 1.416 16.804 1.334 1.00 0.91 H new ATOM 0 HB3 LYS A 37 2.657 15.912 2.191 1.00 0.91 H new ATOM 0 HG2 LYS A 37 2.966 14.476 0.141 1.00 0.75 H new ATOM 0 HG3 LYS A 37 1.820 15.499 -0.702 1.00 0.75 H new ATOM 0 HD2 LYS A 37 4.462 16.403 0.515 1.00 0.94 H new ATOM 0 HD3 LYS A 37 4.145 16.165 -1.192 1.00 0.94 H new ATOM 0 HE2 LYS A 37 2.329 17.930 -1.028 1.00 0.70 H new ATOM 0 HE3 LYS A 37 2.840 18.232 0.621 1.00 0.70 H new ATOM 0 HZ1 LYS A 37 4.079 19.767 -0.470 1.00 0.97 H new ATOM 0 HZ2 LYS A 37 5.174 18.471 -0.541 1.00 0.97 H new ATOM 0 HZ3 LYS A 37 4.214 18.846 -1.890 1.00 0.97 H new ATOM 828 N LEU A 38 -0.780 15.920 3.252 1.00 0.63 N ATOM 829 CA LEU A 38 -1.364 16.384 4.507 1.00 0.70 C ATOM 830 C LEU A 38 -2.607 15.577 4.862 1.00 0.65 C ATOM 831 O LEU A 38 -3.548 16.098 5.465 1.00 0.91 O ATOM 832 CB LEU A 38 -1.730 17.861 4.390 1.00 0.82 C ATOM 833 CG LEU A 38 -0.581 18.783 3.993 1.00 1.08 C ATOM 834 CD1 LEU A 38 -1.127 20.067 3.400 1.00 2.08 C ATOM 835 CD2 LEU A 38 0.304 19.078 5.192 1.00 1.61 C ATOM 0 H LEU A 38 -1.272 16.237 2.416 1.00 0.63 H new ATOM 0 HA LEU A 38 -0.627 16.249 5.298 1.00 0.70 H new ATOM 0 HB2 LEU A 38 -2.529 17.964 3.655 1.00 0.82 H new ATOM 0 HB3 LEU A 38 -2.131 18.197 5.346 1.00 0.82 H new ATOM 0 HG LEU A 38 0.027 18.283 3.239 1.00 1.08 H new ATOM 0 HD11 LEU A 38 -0.300 20.719 3.120 1.00 2.08 H new ATOM 0 HD12 LEU A 38 -1.722 19.836 2.517 1.00 2.08 H new ATOM 0 HD13 LEU A 38 -1.752 20.571 4.137 1.00 2.08 H new ATOM 0 HD21 LEU A 38 1.118 19.737 4.890 1.00 1.61 H new ATOM 0 HD22 LEU A 38 -0.286 19.563 5.969 1.00 1.61 H new ATOM 0 HD23 LEU A 38 0.716 18.146 5.578 1.00 1.61 H new ATOM 847 N ALA A 39 -2.612 14.309 4.488 1.00 0.52 N ATOM 848 CA ALA A 39 -3.749 13.452 4.744 1.00 0.53 C ATOM 849 C ALA A 39 -3.609 12.748 6.074 1.00 0.60 C ATOM 850 O ALA A 39 -4.048 13.248 7.106 1.00 1.03 O ATOM 851 CB ALA A 39 -3.928 12.444 3.613 1.00 0.55 C ATOM 0 H ALA A 39 -1.838 13.853 4.005 1.00 0.52 H new ATOM 0 HA ALA A 39 -4.641 14.078 4.789 1.00 0.53 H new ATOM 0 HB1 ALA A 39 -4.788 11.809 3.824 1.00 0.55 H new ATOM 0 HB2 ALA A 39 -4.091 12.975 2.675 1.00 0.55 H new ATOM 0 HB3 ALA A 39 -3.033 11.827 3.530 1.00 0.55 H new ATOM 857 N GLY A 40 -2.914 11.640 6.049 1.00 0.43 N ATOM 858 CA GLY A 40 -2.911 10.721 7.165 1.00 0.46 C ATOM 859 C GLY A 40 -3.455 9.374 6.748 1.00 0.46 C ATOM 860 O GLY A 40 -4.623 9.267 6.373 1.00 0.84 O ATOM 0 H GLY A 40 -2.336 11.348 5.261 1.00 0.43 H new ATOM 0 HA2 GLY A 40 -1.896 10.607 7.546 1.00 0.46 H new ATOM 0 HA3 GLY A 40 -3.513 11.126 7.978 1.00 0.46 H new ATOM 864 N VAL A 41 -2.617 8.350 6.787 1.00 0.44 N ATOM 865 CA VAL A 41 -3.011 7.031 6.321 1.00 0.45 C ATOM 866 C VAL A 41 -2.372 5.924 7.152 1.00 0.36 C ATOM 867 O VAL A 41 -1.193 5.986 7.510 1.00 0.41 O ATOM 868 CB VAL A 41 -2.697 6.838 4.813 1.00 0.67 C ATOM 869 CG1 VAL A 41 -1.411 7.529 4.422 1.00 0.95 C ATOM 870 CG2 VAL A 41 -2.632 5.362 4.435 1.00 1.30 C ATOM 0 H VAL A 41 -1.660 8.407 7.136 1.00 0.44 H new ATOM 0 HA VAL A 41 -4.091 6.962 6.449 1.00 0.45 H new ATOM 0 HB VAL A 41 -3.518 7.297 4.261 1.00 0.67 H new ATOM 0 HG11 VAL A 41 -1.222 7.373 3.360 1.00 0.95 H new ATOM 0 HG12 VAL A 41 -1.496 8.597 4.622 1.00 0.95 H new ATOM 0 HG13 VAL A 41 -0.585 7.116 5.002 1.00 0.95 H new ATOM 0 HG21 VAL A 41 -2.410 5.268 3.372 1.00 1.30 H new ATOM 0 HG22 VAL A 41 -1.849 4.872 5.014 1.00 1.30 H new ATOM 0 HG23 VAL A 41 -3.591 4.889 4.649 1.00 1.30 H new ATOM 880 N THR A 42 -3.184 4.930 7.471 1.00 0.31 N ATOM 881 CA THR A 42 -2.749 3.781 8.236 1.00 0.30 C ATOM 882 C THR A 42 -2.836 2.513 7.385 1.00 0.29 C ATOM 883 O THR A 42 -3.889 2.212 6.817 1.00 0.32 O ATOM 884 CB THR A 42 -3.625 3.623 9.489 1.00 0.35 C ATOM 885 OG1 THR A 42 -3.649 4.864 10.208 1.00 0.40 O ATOM 886 CG2 THR A 42 -3.098 2.516 10.391 1.00 0.45 C ATOM 0 H THR A 42 -4.168 4.900 7.204 1.00 0.31 H new ATOM 0 HA THR A 42 -1.713 3.935 8.537 1.00 0.30 H new ATOM 0 HB THR A 42 -4.634 3.353 9.177 1.00 0.35 H new ATOM 0 HG1 THR A 42 -4.208 4.768 11.007 1.00 0.40 H new ATOM 0 HG21 THR A 42 -3.737 2.427 11.269 1.00 0.45 H new ATOM 0 HG22 THR A 42 -3.097 1.572 9.846 1.00 0.45 H new ATOM 0 HG23 THR A 42 -2.082 2.755 10.705 1.00 0.45 H new ATOM 894 N LYS A 43 -1.728 1.792 7.280 1.00 0.31 N ATOM 895 CA LYS A 43 -1.691 0.548 6.523 1.00 0.35 C ATOM 896 C LYS A 43 -2.067 -0.626 7.414 1.00 0.33 C ATOM 897 O LYS A 43 -1.584 -0.735 8.544 1.00 0.41 O ATOM 898 CB LYS A 43 -0.293 0.313 5.942 1.00 0.50 C ATOM 899 CG LYS A 43 0.143 1.348 4.918 1.00 0.77 C ATOM 900 CD LYS A 43 -0.612 1.208 3.606 1.00 0.53 C ATOM 901 CE LYS A 43 -0.130 2.232 2.592 1.00 0.59 C ATOM 902 NZ LYS A 43 -0.776 2.066 1.265 1.00 0.79 N ATOM 0 H LYS A 43 -0.840 2.048 7.711 1.00 0.31 H new ATOM 0 HA LYS A 43 -2.410 0.628 5.707 1.00 0.35 H new ATOM 0 HB2 LYS A 43 0.429 0.301 6.758 1.00 0.50 H new ATOM 0 HB3 LYS A 43 -0.267 -0.673 5.478 1.00 0.50 H new ATOM 0 HG2 LYS A 43 -0.017 2.347 5.323 1.00 0.77 H new ATOM 0 HG3 LYS A 43 1.212 1.246 4.733 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -0.474 0.203 3.208 1.00 0.53 H new ATOM 0 HD3 LYS A 43 -1.680 1.338 3.781 1.00 0.53 H new ATOM 0 HE2 LYS A 43 -0.333 3.235 2.968 1.00 0.59 H new ATOM 0 HE3 LYS A 43 0.951 2.146 2.480 1.00 0.59 H new ATOM 0 HZ1 LYS A 43 -0.661 2.939 0.711 1.00 0.79 H new ATOM 0 HZ2 LYS A 43 -0.331 1.274 0.759 1.00 0.79 H new ATOM 0 HZ3 LYS A 43 -1.789 1.869 1.394 1.00 0.79 H new ATOM 916 N LYS A 44 -2.929 -1.496 6.914 1.00 0.31 N ATOM 917 CA LYS A 44 -3.325 -2.688 7.648 1.00 0.35 C ATOM 918 C LYS A 44 -3.183 -3.921 6.765 1.00 0.34 C ATOM 919 O LYS A 44 -3.835 -4.026 5.728 1.00 0.47 O ATOM 920 CB LYS A 44 -4.773 -2.574 8.129 1.00 0.44 C ATOM 921 CG LYS A 44 -5.046 -1.374 9.022 1.00 0.90 C ATOM 922 CD LYS A 44 -6.518 -1.283 9.400 1.00 0.88 C ATOM 923 CE LYS A 44 -6.950 -2.453 10.269 1.00 1.39 C ATOM 924 NZ LYS A 44 -8.421 -2.475 10.474 1.00 1.96 N ATOM 0 H LYS A 44 -3.370 -1.399 5.999 1.00 0.31 H new ATOM 0 HA LYS A 44 -2.671 -2.783 8.515 1.00 0.35 H new ATOM 0 HB2 LYS A 44 -5.429 -2.521 7.260 1.00 0.44 H new ATOM 0 HB3 LYS A 44 -5.035 -3.482 8.671 1.00 0.44 H new ATOM 0 HG2 LYS A 44 -4.441 -1.447 9.926 1.00 0.90 H new ATOM 0 HG3 LYS A 44 -4.744 -0.461 8.509 1.00 0.90 H new ATOM 0 HD2 LYS A 44 -6.700 -0.349 9.931 1.00 0.88 H new ATOM 0 HD3 LYS A 44 -7.125 -1.259 8.495 1.00 0.88 H new ATOM 0 HE2 LYS A 44 -6.634 -3.387 9.804 1.00 1.39 H new ATOM 0 HE3 LYS A 44 -6.449 -2.392 11.235 1.00 1.39 H new ATOM 0 HZ1 LYS A 44 -8.642 -2.991 11.350 1.00 1.96 H new ATOM 0 HZ2 LYS A 44 -8.776 -1.500 10.548 1.00 1.96 H new ATOM 0 HZ3 LYS A 44 -8.877 -2.949 9.668 1.00 1.96 H new ATOM 938 N PHE A 45 -2.311 -4.829 7.163 1.00 0.29 N ATOM 939 CA PHE A 45 -2.157 -6.105 6.477 1.00 0.29 C ATOM 940 C PHE A 45 -2.481 -7.236 7.436 1.00 0.30 C ATOM 941 O PHE A 45 -1.978 -7.256 8.561 1.00 0.37 O ATOM 942 CB PHE A 45 -0.731 -6.280 5.949 1.00 0.32 C ATOM 943 CG PHE A 45 -0.347 -5.333 4.848 1.00 0.36 C ATOM 944 CD1 PHE A 45 0.039 -4.034 5.134 1.00 0.40 C ATOM 945 CD2 PHE A 45 -0.358 -5.750 3.526 1.00 0.44 C ATOM 946 CE1 PHE A 45 0.405 -3.167 4.124 1.00 0.49 C ATOM 947 CE2 PHE A 45 0.006 -4.888 2.512 1.00 0.52 C ATOM 948 CZ PHE A 45 0.387 -3.595 2.813 1.00 0.54 C ATOM 0 H PHE A 45 -1.692 -4.707 7.965 1.00 0.29 H new ATOM 0 HA PHE A 45 -2.842 -6.123 5.629 1.00 0.29 H new ATOM 0 HB2 PHE A 45 -0.034 -6.154 6.777 1.00 0.32 H new ATOM 0 HB3 PHE A 45 -0.615 -7.302 5.587 1.00 0.32 H new ATOM 0 HD1 PHE A 45 0.054 -3.695 6.159 1.00 0.40 H new ATOM 0 HD2 PHE A 45 -0.655 -6.761 3.287 1.00 0.44 H new ATOM 0 HE1 PHE A 45 0.705 -2.157 4.360 1.00 0.49 H new ATOM 0 HE2 PHE A 45 -0.007 -5.223 1.486 1.00 0.52 H new ATOM 0 HZ PHE A 45 0.671 -2.918 2.021 1.00 0.54 H new ATOM 958 N ARG A 46 -3.330 -8.161 7.017 1.00 0.31 N ATOM 959 CA ARG A 46 -3.701 -9.282 7.868 1.00 0.33 C ATOM 960 C ARG A 46 -4.293 -10.427 7.060 1.00 0.31 C ATOM 961 O ARG A 46 -4.614 -10.277 5.884 1.00 0.33 O ATOM 962 CB ARG A 46 -4.719 -8.835 8.918 1.00 0.39 C ATOM 963 CG ARG A 46 -5.968 -8.207 8.318 1.00 0.50 C ATOM 964 CD ARG A 46 -7.019 -7.928 9.376 1.00 0.64 C ATOM 965 NE ARG A 46 -6.515 -7.057 10.437 1.00 1.51 N ATOM 966 CZ ARG A 46 -6.774 -7.236 11.732 1.00 2.03 C ATOM 967 NH1 ARG A 46 -7.520 -8.263 12.126 1.00 1.85 N ATOM 968 NH2 ARG A 46 -6.281 -6.394 12.635 1.00 3.17 N ATOM 0 H ARG A 46 -3.773 -8.159 6.098 1.00 0.31 H new ATOM 0 HA ARG A 46 -2.792 -9.634 8.356 1.00 0.33 H new ATOM 0 HB2 ARG A 46 -5.008 -9.695 9.523 1.00 0.39 H new ATOM 0 HB3 ARG A 46 -4.247 -8.118 9.589 1.00 0.39 H new ATOM 0 HG2 ARG A 46 -5.702 -7.277 7.815 1.00 0.50 H new ATOM 0 HG3 ARG A 46 -6.382 -8.872 7.560 1.00 0.50 H new ATOM 0 HD2 ARG A 46 -7.888 -7.464 8.909 1.00 0.64 H new ATOM 0 HD3 ARG A 46 -7.355 -8.870 9.810 1.00 0.64 H new ATOM 0 HE ARG A 46 -5.930 -6.265 10.170 1.00 1.51 H new ATOM 0 HH11 ARG A 46 -7.895 -8.915 11.437 1.00 1.85 H new ATOM 0 HH12 ARG A 46 -7.718 -8.399 13.117 1.00 1.85 H new ATOM 0 HH21 ARG A 46 -5.703 -5.608 12.337 1.00 3.17 H new ATOM 0 HH22 ARG A 46 -6.481 -6.534 13.625 1.00 3.17 H new ATOM 982 N ASN A 47 -4.414 -11.570 7.716 1.00 0.33 N ATOM 983 CA ASN A 47 -5.146 -12.706 7.166 1.00 0.37 C ATOM 984 C ASN A 47 -6.614 -12.323 7.073 1.00 0.39 C ATOM 985 O ASN A 47 -7.097 -11.565 7.919 1.00 0.54 O ATOM 986 CB ASN A 47 -4.965 -13.950 8.047 1.00 0.50 C ATOM 987 CG ASN A 47 -5.426 -13.733 9.478 1.00 0.92 C ATOM 988 OD1 ASN A 47 -6.581 -13.985 9.824 1.00 1.85 O ATOM 989 ND2 ASN A 47 -4.520 -13.270 10.325 1.00 1.44 N ATOM 0 H ASN A 47 -4.012 -11.739 8.638 1.00 0.33 H new ATOM 0 HA ASN A 47 -4.761 -12.951 6.176 1.00 0.37 H new ATOM 0 HB2 ASN A 47 -5.522 -14.780 7.613 1.00 0.50 H new ATOM 0 HB3 ASN A 47 -3.914 -14.238 8.049 1.00 0.50 H new ATOM 0 HD21 ASN A 47 -4.769 -13.110 11.301 1.00 1.44 H new ATOM 0 HD22 ASN A 47 -3.573 -13.073 10.001 1.00 1.44 H new ATOM 996 N ALA A 48 -7.315 -12.828 6.051 1.00 0.36 N ATOM 997 CA ALA A 48 -8.689 -12.412 5.768 1.00 0.41 C ATOM 998 C ALA A 48 -9.547 -12.415 7.021 1.00 0.64 C ATOM 999 O ALA A 48 -9.753 -13.455 7.648 1.00 0.87 O ATOM 1000 CB ALA A 48 -9.306 -13.302 4.699 1.00 0.49 C ATOM 0 H ALA A 48 -6.949 -13.528 5.405 1.00 0.36 H new ATOM 0 HA ALA A 48 -8.652 -11.388 5.397 1.00 0.41 H new ATOM 0 HB1 ALA A 48 -10.328 -12.978 4.501 1.00 0.49 H new ATOM 0 HB2 ALA A 48 -8.719 -13.231 3.783 1.00 0.49 H new ATOM 0 HB3 ALA A 48 -9.314 -14.335 5.046 1.00 0.49 H new ATOM 1006 N ALA A 49 -10.018 -11.223 7.361 1.00 0.83 N ATOM 1007 CA ALA A 49 -10.784 -10.958 8.569 1.00 1.18 C ATOM 1008 C ALA A 49 -11.896 -11.968 8.817 1.00 1.17 C ATOM 1009 O ALA A 49 -12.159 -12.331 9.963 1.00 1.46 O ATOM 1010 CB ALA A 49 -11.368 -9.566 8.484 1.00 1.48 C ATOM 0 H ALA A 49 -9.873 -10.392 6.788 1.00 0.83 H new ATOM 0 HA ALA A 49 -10.097 -11.045 9.411 1.00 1.18 H new ATOM 0 HB1 ALA A 49 -11.944 -9.358 9.385 1.00 1.48 H new ATOM 0 HB2 ALA A 49 -10.562 -8.838 8.392 1.00 1.48 H new ATOM 0 HB3 ALA A 49 -12.019 -9.497 7.613 1.00 1.48 H new ATOM 1016 N SER A 50 -12.566 -12.407 7.760 1.00 1.12 N ATOM 1017 CA SER A 50 -13.656 -13.366 7.889 1.00 1.50 C ATOM 1018 C SER A 50 -13.162 -14.784 8.197 1.00 1.66 C ATOM 1019 O SER A 50 -13.921 -15.744 8.086 1.00 2.19 O ATOM 1020 CB SER A 50 -14.474 -13.367 6.599 1.00 1.77 C ATOM 1021 OG SER A 50 -15.009 -12.078 6.341 1.00 2.37 O ATOM 0 H SER A 50 -12.374 -12.114 6.802 1.00 1.12 H new ATOM 0 HA SER A 50 -14.272 -13.057 8.733 1.00 1.50 H new ATOM 0 HB2 SER A 50 -13.846 -13.679 5.765 1.00 1.77 H new ATOM 0 HB3 SER A 50 -15.283 -14.093 6.677 1.00 1.77 H new ATOM 0 HG SER A 50 -15.528 -12.100 5.510 1.00 2.37 H new ATOM 1027 N GLY A 51 -11.901 -14.914 8.587 1.00 1.42 N ATOM 1028 CA GLY A 51 -11.362 -16.214 8.939 1.00 1.68 C ATOM 1029 C GLY A 51 -11.168 -17.115 7.734 1.00 1.70 C ATOM 1030 O GLY A 51 -11.120 -18.338 7.866 1.00 1.91 O ATOM 0 H GLY A 51 -11.240 -14.141 8.666 1.00 1.42 H new ATOM 0 HA2 GLY A 51 -10.406 -16.081 9.445 1.00 1.68 H new ATOM 0 HA3 GLY A 51 -12.033 -16.701 9.647 1.00 1.68 H new ATOM 1034 N LYS A 52 -11.061 -16.513 6.559 1.00 1.54 N ATOM 1035 CA LYS A 52 -10.837 -17.253 5.336 1.00 1.60 C ATOM 1036 C LYS A 52 -9.346 -17.552 5.182 1.00 1.44 C ATOM 1037 O LYS A 52 -8.529 -16.633 5.133 1.00 1.37 O ATOM 1038 CB LYS A 52 -11.346 -16.432 4.151 1.00 1.62 C ATOM 1039 CG LYS A 52 -11.129 -17.092 2.807 1.00 1.92 C ATOM 1040 CD LYS A 52 -12.084 -18.254 2.577 1.00 1.94 C ATOM 1041 CE LYS A 52 -11.850 -18.900 1.221 1.00 2.59 C ATOM 1042 NZ LYS A 52 -12.781 -20.032 0.970 1.00 3.17 N ATOM 0 H LYS A 52 -11.127 -15.503 6.431 1.00 1.54 H new ATOM 0 HA LYS A 52 -11.378 -18.199 5.370 1.00 1.60 H new ATOM 0 HB2 LYS A 52 -12.411 -16.243 4.284 1.00 1.62 H new ATOM 0 HB3 LYS A 52 -10.848 -15.463 4.153 1.00 1.62 H new ATOM 0 HG2 LYS A 52 -11.261 -16.354 2.016 1.00 1.92 H new ATOM 0 HG3 LYS A 52 -10.101 -17.450 2.741 1.00 1.92 H new ATOM 0 HD2 LYS A 52 -11.953 -18.997 3.364 1.00 1.94 H new ATOM 0 HD3 LYS A 52 -13.113 -17.900 2.641 1.00 1.94 H new ATOM 0 HE2 LYS A 52 -11.971 -18.151 0.438 1.00 2.59 H new ATOM 0 HE3 LYS A 52 -10.822 -19.258 1.163 1.00 2.59 H new ATOM 0 HZ1 LYS A 52 -12.585 -20.442 0.034 1.00 3.17 H new ATOM 0 HZ2 LYS A 52 -12.648 -20.759 1.701 1.00 3.17 H new ATOM 0 HZ3 LYS A 52 -13.762 -19.688 0.998 1.00 3.17 H new ATOM 1056 N PRO A 53 -8.968 -18.837 5.132 1.00 1.49 N ATOM 1057 CA PRO A 53 -7.566 -19.239 5.015 1.00 1.40 C ATOM 1058 C PRO A 53 -7.001 -18.973 3.622 1.00 1.15 C ATOM 1059 O PRO A 53 -7.735 -19.014 2.626 1.00 1.15 O ATOM 1060 CB PRO A 53 -7.602 -20.738 5.304 1.00 1.68 C ATOM 1061 CG PRO A 53 -8.964 -21.163 4.895 1.00 1.84 C ATOM 1062 CD PRO A 53 -9.872 -20.001 5.193 1.00 1.76 C ATOM 0 HA PRO A 53 -6.922 -18.678 5.692 1.00 1.40 H new ATOM 0 HB2 PRO A 53 -6.835 -21.269 4.741 1.00 1.68 H new ATOM 0 HB3 PRO A 53 -7.422 -20.943 6.359 1.00 1.68 H new ATOM 0 HG2 PRO A 53 -8.991 -21.417 3.835 1.00 1.84 H new ATOM 0 HG3 PRO A 53 -9.276 -22.052 5.444 1.00 1.84 H new ATOM 0 HD2 PRO A 53 -10.678 -19.923 4.463 1.00 1.76 H new ATOM 0 HD3 PRO A 53 -10.339 -20.097 6.173 1.00 1.76 H new ATOM 1070 N ASP A 54 -5.702 -18.661 3.588 1.00 1.04 N ATOM 1071 CA ASP A 54 -4.953 -18.400 2.357 1.00 0.90 C ATOM 1072 C ASP A 54 -5.179 -16.962 1.920 1.00 0.68 C ATOM 1073 O ASP A 54 -4.237 -16.220 1.658 1.00 0.97 O ATOM 1074 CB ASP A 54 -5.328 -19.384 1.239 1.00 1.06 C ATOM 1075 CG ASP A 54 -4.599 -19.115 -0.059 1.00 1.60 C ATOM 1076 OD1 ASP A 54 -5.203 -18.520 -0.973 1.00 2.44 O ATOM 1077 OD2 ASP A 54 -3.403 -19.466 -0.159 1.00 1.60 O ATOM 0 H ASP A 54 -5.132 -18.582 4.430 1.00 1.04 H new ATOM 0 HA ASP A 54 -3.893 -18.549 2.562 1.00 0.90 H new ATOM 0 HB2 ASP A 54 -5.108 -20.399 1.568 1.00 1.06 H new ATOM 0 HB3 ASP A 54 -6.402 -19.332 1.063 1.00 1.06 H new ATOM 1082 N ARG A 55 -6.441 -16.591 1.828 1.00 0.63 N ATOM 1083 CA ARG A 55 -6.827 -15.212 1.566 1.00 0.47 C ATOM 1084 C ARG A 55 -6.410 -14.272 2.691 1.00 0.41 C ATOM 1085 O ARG A 55 -6.466 -14.617 3.875 1.00 0.51 O ATOM 1086 CB ARG A 55 -8.336 -15.111 1.348 1.00 0.64 C ATOM 1087 CG ARG A 55 -8.773 -15.304 -0.095 1.00 1.24 C ATOM 1088 CD ARG A 55 -8.331 -16.641 -0.667 1.00 1.87 C ATOM 1089 NE ARG A 55 -8.900 -16.861 -1.992 1.00 2.57 N ATOM 1090 CZ ARG A 55 -8.375 -17.653 -2.923 1.00 3.35 C ATOM 1091 NH1 ARG A 55 -7.236 -18.299 -2.704 1.00 3.78 N ATOM 1092 NH2 ARG A 55 -8.989 -17.790 -4.090 1.00 4.10 N ATOM 0 H ARG A 55 -7.228 -17.232 1.932 1.00 0.63 H new ATOM 0 HA ARG A 55 -6.303 -14.903 0.661 1.00 0.47 H new ATOM 0 HB2 ARG A 55 -8.832 -15.857 1.969 1.00 0.64 H new ATOM 0 HB3 ARG A 55 -8.676 -14.134 1.691 1.00 0.64 H new ATOM 0 HG2 ARG A 55 -9.859 -15.229 -0.155 1.00 1.24 H new ATOM 0 HG3 ARG A 55 -8.364 -14.499 -0.705 1.00 1.24 H new ATOM 0 HD2 ARG A 55 -7.243 -16.673 -0.726 1.00 1.87 H new ATOM 0 HD3 ARG A 55 -8.638 -17.445 0.002 1.00 1.87 H new ATOM 0 HE ARG A 55 -9.765 -16.371 -2.222 1.00 2.57 H new ATOM 0 HH11 ARG A 55 -6.752 -18.191 -1.813 1.00 3.78 H new ATOM 0 HH12 ARG A 55 -6.845 -18.903 -3.427 1.00 3.78 H new ATOM 0 HH21 ARG A 55 -9.859 -17.289 -4.270 1.00 4.10 H new ATOM 0 HH22 ARG A 55 -8.591 -18.396 -4.808 1.00 4.10 H new ATOM 1106 N TYR A 56 -5.984 -13.085 2.300 1.00 0.35 N ATOM 1107 CA TYR A 56 -5.657 -12.025 3.235 1.00 0.32 C ATOM 1108 C TYR A 56 -6.542 -10.816 2.954 1.00 0.33 C ATOM 1109 O TYR A 56 -7.243 -10.781 1.943 1.00 0.41 O ATOM 1110 CB TYR A 56 -4.180 -11.634 3.096 1.00 0.34 C ATOM 1111 CG TYR A 56 -3.211 -12.696 3.569 1.00 0.41 C ATOM 1112 CD1 TYR A 56 -2.776 -13.690 2.705 1.00 0.55 C ATOM 1113 CD2 TYR A 56 -2.731 -12.708 4.872 1.00 0.53 C ATOM 1114 CE1 TYR A 56 -1.890 -14.662 3.120 1.00 0.72 C ATOM 1115 CE2 TYR A 56 -1.843 -13.678 5.295 1.00 0.69 C ATOM 1116 CZ TYR A 56 -1.435 -14.641 4.456 1.00 0.77 C ATOM 1117 OH TYR A 56 -0.548 -15.621 4.830 1.00 0.97 O ATOM 0 H TYR A 56 -5.855 -12.828 1.321 1.00 0.35 H new ATOM 0 HA TYR A 56 -5.830 -12.376 4.252 1.00 0.32 H new ATOM 0 HB2 TYR A 56 -3.972 -11.408 2.050 1.00 0.34 H new ATOM 0 HB3 TYR A 56 -4.003 -10.719 3.661 1.00 0.34 H new ATOM 0 HD1 TYR A 56 -3.138 -13.703 1.688 1.00 0.55 H new ATOM 0 HD2 TYR A 56 -3.057 -11.947 5.566 1.00 0.53 H new ATOM 0 HE1 TYR A 56 -1.551 -15.425 2.435 1.00 0.72 H new ATOM 0 HE2 TYR A 56 -1.474 -13.661 6.310 1.00 0.69 H new ATOM 0 HH TYR A 56 0.360 -15.254 4.840 1.00 0.97 H new ATOM 1127 N ASP A 57 -6.529 -9.837 3.846 1.00 0.32 N ATOM 1128 CA ASP A 57 -7.196 -8.573 3.575 1.00 0.34 C ATOM 1129 C ASP A 57 -6.296 -7.427 4.002 1.00 0.29 C ATOM 1130 O ASP A 57 -5.466 -7.574 4.900 1.00 0.32 O ATOM 1131 CB ASP A 57 -8.584 -8.480 4.235 1.00 0.43 C ATOM 1132 CG ASP A 57 -8.560 -8.143 5.712 1.00 0.68 C ATOM 1133 OD1 ASP A 57 -8.610 -6.948 6.048 1.00 1.10 O ATOM 1134 OD2 ASP A 57 -8.431 -9.080 6.537 1.00 0.99 O ATOM 0 H ASP A 57 -6.069 -9.892 4.755 1.00 0.32 H new ATOM 0 HA ASP A 57 -7.375 -8.509 2.502 1.00 0.34 H new ATOM 0 HB2 ASP A 57 -9.170 -7.724 3.713 1.00 0.43 H new ATOM 0 HB3 ASP A 57 -9.100 -9.431 4.101 1.00 0.43 H new ATOM 1139 N MET A 58 -6.441 -6.300 3.332 1.00 0.27 N ATOM 1140 CA MET A 58 -5.523 -5.188 3.505 1.00 0.26 C ATOM 1141 C MET A 58 -6.282 -3.869 3.431 1.00 0.27 C ATOM 1142 O MET A 58 -7.165 -3.708 2.593 1.00 0.33 O ATOM 1143 CB MET A 58 -4.433 -5.274 2.424 1.00 0.30 C ATOM 1144 CG MET A 58 -3.395 -4.171 2.484 1.00 0.51 C ATOM 1145 SD MET A 58 -3.944 -2.647 1.701 1.00 0.98 S ATOM 1146 CE MET A 58 -2.584 -1.574 2.128 1.00 0.36 C ATOM 0 H MET A 58 -7.189 -6.129 2.660 1.00 0.27 H new ATOM 0 HA MET A 58 -5.049 -5.238 4.485 1.00 0.26 H new ATOM 0 HB2 MET A 58 -3.927 -6.236 2.512 1.00 0.30 H new ATOM 0 HB3 MET A 58 -4.910 -5.253 1.444 1.00 0.30 H new ATOM 0 HG2 MET A 58 -3.147 -3.969 3.526 1.00 0.51 H new ATOM 0 HG3 MET A 58 -2.481 -4.513 1.999 1.00 0.51 H new ATOM 0 HE1 MET A 58 -2.942 -0.773 2.775 1.00 0.36 H new ATOM 0 HE2 MET A 58 -1.818 -2.147 2.650 1.00 0.36 H new ATOM 0 HE3 MET A 58 -2.160 -1.145 1.220 1.00 0.36 H new ATOM 1156 N GLU A 59 -5.949 -2.926 4.302 1.00 0.29 N ATOM 1157 CA GLU A 59 -6.686 -1.670 4.361 1.00 0.32 C ATOM 1158 C GLU A 59 -5.783 -0.454 4.281 1.00 0.31 C ATOM 1159 O GLU A 59 -4.617 -0.487 4.686 1.00 0.31 O ATOM 1160 CB GLU A 59 -7.533 -1.583 5.634 1.00 0.46 C ATOM 1161 CG GLU A 59 -8.592 -2.665 5.748 1.00 1.03 C ATOM 1162 CD GLU A 59 -9.374 -2.584 7.042 1.00 0.87 C ATOM 1163 OE1 GLU A 59 -9.058 -3.343 7.981 1.00 1.05 O ATOM 1164 OE2 GLU A 59 -10.313 -1.770 7.128 1.00 1.11 O ATOM 0 H GLU A 59 -5.183 -3.004 4.970 1.00 0.29 H new ATOM 0 HA GLU A 59 -7.336 -1.666 3.486 1.00 0.32 H new ATOM 0 HB2 GLU A 59 -6.874 -1.641 6.501 1.00 0.46 H new ATOM 0 HB3 GLU A 59 -8.019 -0.608 5.668 1.00 0.46 H new ATOM 0 HG2 GLU A 59 -9.280 -2.584 4.907 1.00 1.03 H new ATOM 0 HG3 GLU A 59 -8.116 -3.643 5.677 1.00 1.03 H new ATOM 1171 N ASN A 60 -6.353 0.615 3.740 1.00 0.36 N ATOM 1172 CA ASN A 60 -5.701 1.912 3.677 1.00 0.42 C ATOM 1173 C ASN A 60 -6.619 2.954 4.290 1.00 0.46 C ATOM 1174 O ASN A 60 -7.400 3.603 3.588 1.00 0.60 O ATOM 1175 CB ASN A 60 -5.385 2.307 2.234 1.00 0.44 C ATOM 1176 CG ASN A 60 -4.491 1.314 1.529 1.00 0.57 C ATOM 1177 OD1 ASN A 60 -3.274 1.413 1.594 1.00 1.17 O ATOM 1178 ND2 ASN A 60 -5.088 0.355 0.840 1.00 1.02 N ATOM 0 H ASN A 60 -7.287 0.604 3.330 1.00 0.36 H new ATOM 0 HA ASN A 60 -4.762 1.854 4.228 1.00 0.42 H new ATOM 0 HB2 ASN A 60 -6.317 2.405 1.678 1.00 0.44 H new ATOM 0 HB3 ASN A 60 -4.906 3.286 2.228 1.00 0.44 H new ATOM 0 HD21 ASN A 60 -4.530 -0.336 0.338 1.00 1.02 H new ATOM 0 HD22 ASN A 60 -6.106 0.307 0.810 1.00 1.02 H new ATOM 1185 N LEU A 61 -6.548 3.092 5.597 1.00 0.38 N ATOM 1186 CA LEU A 61 -7.396 4.034 6.306 1.00 0.39 C ATOM 1187 C LEU A 61 -6.786 5.422 6.280 1.00 0.39 C ATOM 1188 O LEU A 61 -5.778 5.679 6.938 1.00 0.50 O ATOM 1189 CB LEU A 61 -7.610 3.567 7.745 1.00 0.42 C ATOM 1190 CG LEU A 61 -8.562 2.380 7.894 1.00 1.12 C ATOM 1191 CD1 LEU A 61 -8.644 1.949 9.348 1.00 1.67 C ATOM 1192 CD2 LEU A 61 -9.945 2.735 7.362 1.00 1.66 C ATOM 0 H LEU A 61 -5.911 2.564 6.194 1.00 0.38 H new ATOM 0 HA LEU A 61 -8.364 4.079 5.807 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -6.644 3.297 8.173 1.00 0.42 H new ATOM 0 HB3 LEU A 61 -7.996 4.401 8.330 1.00 0.42 H new ATOM 0 HG LEU A 61 -8.173 1.547 7.308 1.00 1.12 H new ATOM 0 HD11 LEU A 61 -9.325 1.103 9.439 1.00 1.67 H new ATOM 0 HD12 LEU A 61 -7.654 1.656 9.697 1.00 1.67 H new ATOM 0 HD13 LEU A 61 -9.012 2.778 9.953 1.00 1.67 H new ATOM 0 HD21 LEU A 61 -10.610 1.879 7.476 1.00 1.66 H new ATOM 0 HD22 LEU A 61 -10.344 3.581 7.922 1.00 1.66 H new ATOM 0 HD23 LEU A 61 -9.872 3.000 6.307 1.00 1.66 H new ATOM 1204 N THR A 62 -7.395 6.314 5.518 1.00 0.34 N ATOM 1205 CA THR A 62 -6.871 7.651 5.359 1.00 0.35 C ATOM 1206 C THR A 62 -7.903 8.665 5.807 1.00 0.37 C ATOM 1207 O THR A 62 -8.999 8.301 6.236 1.00 0.43 O ATOM 1208 CB THR A 62 -6.459 7.943 3.900 1.00 0.36 C ATOM 1209 OG1 THR A 62 -7.617 8.091 3.074 1.00 0.34 O ATOM 1210 CG2 THR A 62 -5.604 6.820 3.346 1.00 0.45 C ATOM 0 H THR A 62 -8.255 6.132 5.000 1.00 0.34 H new ATOM 0 HA THR A 62 -5.978 7.728 5.979 1.00 0.35 H new ATOM 0 HB THR A 62 -5.884 8.869 3.898 1.00 0.36 H new ATOM 0 HG1 THR A 62 -7.380 8.592 2.266 1.00 0.34 H new ATOM 0 HG21 THR A 62 -5.326 7.048 2.317 1.00 0.45 H new ATOM 0 HG22 THR A 62 -4.703 6.716 3.951 1.00 0.45 H new ATOM 0 HG23 THR A 62 -6.167 5.887 3.371 1.00 0.45 H new ATOM 1218 N THR A 63 -7.560 9.929 5.700 1.00 0.42 N ATOM 1219 CA THR A 63 -8.439 10.987 6.142 1.00 0.46 C ATOM 1220 C THR A 63 -9.428 11.377 5.051 1.00 0.46 C ATOM 1221 O THR A 63 -10.529 11.851 5.335 1.00 0.54 O ATOM 1222 CB THR A 63 -7.610 12.206 6.570 1.00 0.50 C ATOM 1223 OG1 THR A 63 -7.033 12.841 5.418 1.00 0.52 O ATOM 1224 CG2 THR A 63 -6.492 11.758 7.493 1.00 0.50 C ATOM 0 H THR A 63 -6.674 10.250 5.309 1.00 0.42 H new ATOM 0 HA THR A 63 -9.012 10.622 6.995 1.00 0.46 H new ATOM 0 HB THR A 63 -8.262 12.911 7.085 1.00 0.50 H new ATOM 0 HG1 THR A 63 -6.644 13.702 5.679 1.00 0.52 H new ATOM 0 HG21 THR A 63 -5.903 12.623 7.797 1.00 0.50 H new ATOM 0 HG22 THR A 63 -6.918 11.280 8.375 1.00 0.50 H new ATOM 0 HG23 THR A 63 -5.851 11.048 6.970 1.00 0.50 H new ATOM 1232 N LYS A 64 -9.044 11.150 3.802 1.00 0.46 N ATOM 1233 CA LYS A 64 -9.872 11.536 2.670 1.00 0.50 C ATOM 1234 C LYS A 64 -10.567 10.323 2.069 1.00 0.49 C ATOM 1235 O LYS A 64 -11.534 10.454 1.321 1.00 0.60 O ATOM 1236 CB LYS A 64 -9.014 12.219 1.599 1.00 0.59 C ATOM 1237 CG LYS A 64 -8.232 13.422 2.107 1.00 0.83 C ATOM 1238 CD LYS A 64 -9.145 14.546 2.576 1.00 0.88 C ATOM 1239 CE LYS A 64 -9.952 15.138 1.429 1.00 1.64 C ATOM 1240 NZ LYS A 64 -10.819 16.256 1.885 1.00 2.24 N ATOM 0 H LYS A 64 -8.164 10.700 3.548 1.00 0.46 H new ATOM 0 HA LYS A 64 -10.631 12.233 3.026 1.00 0.50 H new ATOM 0 HB2 LYS A 64 -8.314 11.490 1.189 1.00 0.59 H new ATOM 0 HB3 LYS A 64 -9.659 12.537 0.780 1.00 0.59 H new ATOM 0 HG2 LYS A 64 -7.587 13.113 2.930 1.00 0.83 H new ATOM 0 HG3 LYS A 64 -7.582 13.792 1.314 1.00 0.83 H new ATOM 0 HD2 LYS A 64 -9.824 14.167 3.340 1.00 0.88 H new ATOM 0 HD3 LYS A 64 -8.547 15.329 3.041 1.00 0.88 H new ATOM 0 HE2 LYS A 64 -9.274 15.496 0.654 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -10.568 14.360 0.978 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -11.353 16.633 1.076 1.00 2.24 H new ATOM 0 HZ2 LYS A 64 -11.483 15.909 2.606 1.00 2.24 H new ATOM 0 HZ3 LYS A 64 -10.229 17.009 2.292 1.00 2.24 H new ATOM 1254 N LYS A 65 -10.060 9.139 2.385 1.00 0.49 N ATOM 1255 CA LYS A 65 -10.588 7.909 1.824 1.00 0.49 C ATOM 1256 C LYS A 65 -10.704 6.825 2.889 1.00 0.52 C ATOM 1257 O LYS A 65 -10.759 7.113 4.086 1.00 1.09 O ATOM 1258 CB LYS A 65 -9.688 7.441 0.673 1.00 0.73 C ATOM 1259 CG LYS A 65 -9.793 8.286 -0.588 1.00 1.18 C ATOM 1260 CD LYS A 65 -10.828 7.727 -1.559 1.00 1.22 C ATOM 1261 CE LYS A 65 -12.261 7.973 -1.109 1.00 1.36 C ATOM 1262 NZ LYS A 65 -12.585 9.420 -1.031 1.00 1.82 N ATOM 0 H LYS A 65 -9.281 9.007 3.030 1.00 0.49 H new ATOM 0 HA LYS A 65 -11.590 8.102 1.440 1.00 0.49 H new ATOM 0 HB2 LYS A 65 -8.652 7.444 1.013 1.00 0.73 H new ATOM 0 HB3 LYS A 65 -9.940 6.409 0.427 1.00 0.73 H new ATOM 0 HG2 LYS A 65 -10.061 9.308 -0.320 1.00 1.18 H new ATOM 0 HG3 LYS A 65 -8.821 8.330 -1.078 1.00 1.18 H new ATOM 0 HD2 LYS A 65 -10.679 8.178 -2.540 1.00 1.22 H new ATOM 0 HD3 LYS A 65 -10.668 6.655 -1.674 1.00 1.22 H new ATOM 0 HE2 LYS A 65 -12.946 7.486 -1.803 1.00 1.36 H new ATOM 0 HE3 LYS A 65 -12.417 7.515 -0.132 1.00 1.36 H new ATOM 0 HZ1 LYS A 65 -13.616 9.542 -0.972 1.00 1.82 H new ATOM 0 HZ2 LYS A 65 -12.139 9.831 -0.186 1.00 1.82 H new ATOM 0 HZ3 LYS A 65 -12.227 9.902 -1.880 1.00 1.82 H new ATOM 1276 N ASP A 66 -10.671 5.589 2.422 1.00 0.47 N ATOM 1277 CA ASP A 66 -10.929 4.397 3.228 1.00 0.39 C ATOM 1278 C ASP A 66 -11.132 3.223 2.299 1.00 0.43 C ATOM 1279 O ASP A 66 -12.191 3.040 1.705 1.00 0.66 O ATOM 1280 CB ASP A 66 -12.128 4.537 4.185 1.00 0.57 C ATOM 1281 CG ASP A 66 -13.439 4.909 3.508 1.00 1.40 C ATOM 1282 OD1 ASP A 66 -14.277 4.007 3.274 1.00 2.03 O ATOM 1283 OD2 ASP A 66 -13.656 6.108 3.232 1.00 2.12 O ATOM 0 H ASP A 66 -10.459 5.376 1.447 1.00 0.47 H new ATOM 0 HA ASP A 66 -10.062 4.245 3.870 1.00 0.39 H new ATOM 0 HB2 ASP A 66 -12.263 3.595 4.717 1.00 0.57 H new ATOM 0 HB3 ASP A 66 -11.893 5.294 4.933 1.00 0.57 H new ATOM 1288 N THR A 67 -10.088 2.455 2.130 1.00 0.35 N ATOM 1289 CA THR A 67 -10.133 1.337 1.218 1.00 0.32 C ATOM 1290 C THR A 67 -9.848 0.048 1.959 1.00 0.26 C ATOM 1291 O THR A 67 -9.059 0.024 2.906 1.00 0.30 O ATOM 1292 CB THR A 67 -9.133 1.516 0.060 1.00 0.38 C ATOM 1293 OG1 THR A 67 -7.789 1.473 0.547 1.00 0.38 O ATOM 1294 CG2 THR A 67 -9.371 2.843 -0.641 1.00 0.56 C ATOM 0 H THR A 67 -9.197 2.581 2.610 1.00 0.35 H new ATOM 0 HA THR A 67 -11.135 1.292 0.792 1.00 0.32 H new ATOM 0 HB THR A 67 -9.283 0.701 -0.648 1.00 0.38 H new ATOM 0 HG1 THR A 67 -7.167 1.602 -0.199 1.00 0.38 H new ATOM 0 HG21 THR A 67 -8.657 2.956 -1.457 1.00 0.56 H new ATOM 0 HG22 THR A 67 -10.385 2.867 -1.040 1.00 0.56 H new ATOM 0 HG23 THR A 67 -9.241 3.659 0.070 1.00 0.56 H new ATOM 1302 N HIS A 68 -10.488 -1.016 1.526 1.00 0.25 N ATOM 1303 CA HIS A 68 -10.376 -2.294 2.197 1.00 0.23 C ATOM 1304 C HIS A 68 -10.314 -3.412 1.173 1.00 0.22 C ATOM 1305 O HIS A 68 -11.341 -3.935 0.747 1.00 0.27 O ATOM 1306 CB HIS A 68 -11.560 -2.515 3.150 1.00 0.32 C ATOM 1307 CG HIS A 68 -11.427 -3.725 4.035 1.00 0.81 C ATOM 1308 ND1 HIS A 68 -12.241 -3.953 5.118 1.00 1.05 N ATOM 1309 CD2 HIS A 68 -10.561 -4.769 3.999 1.00 1.43 C ATOM 1310 CE1 HIS A 68 -11.885 -5.078 5.709 1.00 1.69 C ATOM 1311 NE2 HIS A 68 -10.862 -5.596 5.050 1.00 1.95 N ATOM 0 H HIS A 68 -11.096 -1.022 0.707 1.00 0.25 H new ATOM 0 HA HIS A 68 -9.458 -2.296 2.785 1.00 0.23 H new ATOM 0 HB2 HIS A 68 -11.675 -1.631 3.778 1.00 0.32 H new ATOM 0 HB3 HIS A 68 -12.472 -2.609 2.561 1.00 0.32 H new ATOM 0 HD2 HIS A 68 -9.776 -4.921 3.273 1.00 1.43 H new ATOM 0 HE1 HIS A 68 -12.351 -5.505 6.585 1.00 1.69 H new ATOM 0 HE2 HIS A 68 -10.379 -6.463 5.284 1.00 1.95 H new ATOM 1320 N HIS A 69 -9.101 -3.772 0.790 1.00 0.23 N ATOM 1321 CA HIS A 69 -8.878 -4.902 -0.094 1.00 0.26 C ATOM 1322 C HIS A 69 -9.242 -6.176 0.654 1.00 0.29 C ATOM 1323 O HIS A 69 -8.400 -6.778 1.312 1.00 0.33 O ATOM 1324 CB HIS A 69 -7.410 -4.968 -0.532 1.00 0.32 C ATOM 1325 CG HIS A 69 -6.883 -3.711 -1.166 1.00 0.31 C ATOM 1326 ND1 HIS A 69 -7.674 -2.793 -1.817 1.00 0.32 N ATOM 1327 CD2 HIS A 69 -5.620 -3.234 -1.252 1.00 0.39 C ATOM 1328 CE1 HIS A 69 -6.923 -1.815 -2.279 1.00 0.37 C ATOM 1329 NE2 HIS A 69 -5.668 -2.055 -1.952 1.00 0.39 N ATOM 0 H HIS A 69 -8.249 -3.293 1.081 1.00 0.23 H new ATOM 0 HA HIS A 69 -9.496 -4.790 -0.985 1.00 0.26 H new ATOM 0 HB2 HIS A 69 -6.797 -5.204 0.338 1.00 0.32 H new ATOM 0 HB3 HIS A 69 -7.293 -5.791 -1.238 1.00 0.32 H new ATOM 0 HD1 HIS A 69 -8.686 -2.860 -1.925 1.00 0.32 H new ATOM 0 HD2 HIS A 69 -4.734 -3.697 -0.844 1.00 0.39 H new ATOM 0 HE1 HIS A 69 -7.276 -0.958 -2.834 1.00 0.37 H new ATOM 0 HE2 HIS A 69 -4.869 -1.464 -2.181 1.00 0.39 H new ATOM 1338 N LYS A 70 -10.508 -6.546 0.592 1.00 0.31 N ATOM 1339 CA LYS A 70 -11.020 -7.656 1.370 1.00 0.37 C ATOM 1340 C LYS A 70 -10.977 -8.973 0.600 1.00 0.31 C ATOM 1341 O LYS A 70 -11.476 -9.069 -0.521 1.00 0.33 O ATOM 1342 CB LYS A 70 -12.443 -7.326 1.813 1.00 0.49 C ATOM 1343 CG LYS A 70 -13.317 -6.792 0.686 1.00 1.01 C ATOM 1344 CD LYS A 70 -14.585 -6.163 1.220 1.00 1.00 C ATOM 1345 CE LYS A 70 -14.321 -4.784 1.799 1.00 1.43 C ATOM 1346 NZ LYS A 70 -15.546 -4.181 2.387 1.00 2.30 N ATOM 0 H LYS A 70 -11.205 -6.088 0.005 1.00 0.31 H new ATOM 0 HA LYS A 70 -10.381 -7.794 2.242 1.00 0.37 H new ATOM 0 HB2 LYS A 70 -12.904 -8.223 2.227 1.00 0.49 H new ATOM 0 HB3 LYS A 70 -12.405 -6.588 2.614 1.00 0.49 H new ATOM 0 HG2 LYS A 70 -12.759 -6.055 0.109 1.00 1.01 H new ATOM 0 HG3 LYS A 70 -13.571 -7.604 0.005 1.00 1.01 H new ATOM 0 HD2 LYS A 70 -15.320 -6.088 0.419 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.015 -6.805 1.988 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.549 -4.855 2.565 1.00 1.43 H new ATOM 0 HE3 LYS A 70 -13.935 -4.130 1.017 1.00 1.43 H new ATOM 0 HZ1 LYS A 70 -15.321 -3.241 2.770 1.00 2.30 H new ATOM 0 HZ2 LYS A 70 -16.275 -4.089 1.651 1.00 2.30 H new ATOM 0 HZ3 LYS A 70 -15.900 -4.791 3.151 1.00 2.30 H new ATOM 1360 N ASP A 71 -10.341 -9.967 1.220 1.00 0.33 N ATOM 1361 CA ASP A 71 -10.310 -11.338 0.703 1.00 0.37 C ATOM 1362 C ASP A 71 -9.562 -11.403 -0.628 1.00 0.33 C ATOM 1363 O ASP A 71 -10.150 -11.629 -1.686 1.00 0.42 O ATOM 1364 CB ASP A 71 -11.741 -11.883 0.560 1.00 0.51 C ATOM 1365 CG ASP A 71 -11.802 -13.357 0.189 1.00 1.10 C ATOM 1366 OD1 ASP A 71 -11.859 -14.208 1.101 1.00 1.47 O ATOM 1367 OD2 ASP A 71 -11.749 -13.674 -1.017 1.00 2.07 O ATOM 0 H ASP A 71 -9.832 -9.846 2.096 1.00 0.33 H new ATOM 0 HA ASP A 71 -9.772 -11.965 1.414 1.00 0.37 H new ATOM 0 HB2 ASP A 71 -12.273 -11.732 1.499 1.00 0.51 H new ATOM 0 HB3 ASP A 71 -12.266 -11.304 -0.200 1.00 0.51 H new ATOM 1372 N TRP A 72 -8.258 -11.180 -0.570 1.00 0.29 N ATOM 1373 CA TRP A 72 -7.416 -11.283 -1.749 1.00 0.30 C ATOM 1374 C TRP A 72 -6.353 -12.343 -1.542 1.00 0.31 C ATOM 1375 O TRP A 72 -5.965 -12.633 -0.409 1.00 0.29 O ATOM 1376 CB TRP A 72 -6.762 -9.937 -2.083 1.00 0.30 C ATOM 1377 CG TRP A 72 -5.914 -9.356 -0.986 1.00 0.26 C ATOM 1378 CD1 TRP A 72 -6.321 -8.490 -0.015 1.00 0.27 C ATOM 1379 CD2 TRP A 72 -4.512 -9.576 -0.763 1.00 0.29 C ATOM 1380 NE1 TRP A 72 -5.265 -8.165 0.802 1.00 0.30 N ATOM 1381 CE2 TRP A 72 -4.148 -8.817 0.363 1.00 0.30 C ATOM 1382 CE3 TRP A 72 -3.525 -10.338 -1.396 1.00 0.36 C ATOM 1383 CZ2 TRP A 72 -2.849 -8.806 0.860 1.00 0.38 C ATOM 1384 CZ3 TRP A 72 -2.240 -10.312 -0.887 1.00 0.43 C ATOM 1385 CH2 TRP A 72 -1.919 -9.552 0.224 1.00 0.43 C ATOM 0 H TRP A 72 -7.760 -10.926 0.283 1.00 0.29 H new ATOM 0 HA TRP A 72 -8.047 -11.570 -2.590 1.00 0.30 H new ATOM 0 HB2 TRP A 72 -6.145 -10.060 -2.973 1.00 0.30 H new ATOM 0 HB3 TRP A 72 -7.545 -9.222 -2.335 1.00 0.30 H new ATOM 0 HD1 TRP A 72 -7.327 -8.114 0.096 1.00 0.27 H new ATOM 0 HE1 TRP A 72 -5.308 -7.539 1.606 1.00 0.30 H new ATOM 0 HE3 TRP A 72 -3.762 -10.935 -2.265 1.00 0.36 H new ATOM 0 HZ2 TRP A 72 -2.591 -8.218 1.729 1.00 0.38 H new ATOM 0 HZ3 TRP A 72 -1.470 -10.898 -1.367 1.00 0.43 H new ATOM 0 HH2 TRP A 72 -0.903 -9.555 0.591 1.00 0.43 H new ATOM 1396 N ALA A 73 -5.895 -12.941 -2.628 1.00 0.41 N ATOM 1397 CA ALA A 73 -4.860 -13.948 -2.545 1.00 0.50 C ATOM 1398 C ALA A 73 -3.604 -13.474 -3.258 1.00 0.48 C ATOM 1399 O ALA A 73 -3.678 -12.848 -4.313 1.00 0.42 O ATOM 1400 CB ALA A 73 -5.363 -15.246 -3.151 1.00 0.55 C ATOM 0 H ALA A 73 -6.224 -12.745 -3.573 1.00 0.41 H new ATOM 0 HA ALA A 73 -4.611 -14.121 -1.498 1.00 0.50 H new ATOM 0 HB1 ALA A 73 -4.582 -16.004 -3.088 1.00 0.55 H new ATOM 0 HB2 ALA A 73 -6.243 -15.585 -2.605 1.00 0.55 H new ATOM 0 HB3 ALA A 73 -5.625 -15.082 -4.196 1.00 0.55 H new ATOM 1406 N LEU A 74 -2.456 -13.727 -2.647 1.00 0.60 N ATOM 1407 CA LEU A 74 -1.173 -13.417 -3.256 1.00 0.67 C ATOM 1408 C LEU A 74 -1.054 -14.113 -4.614 1.00 0.57 C ATOM 1409 O LEU A 74 -1.286 -15.317 -4.731 1.00 0.56 O ATOM 1410 CB LEU A 74 -0.056 -13.861 -2.302 1.00 0.95 C ATOM 1411 CG LEU A 74 1.315 -13.198 -2.485 1.00 0.68 C ATOM 1412 CD1 LEU A 74 2.223 -13.561 -1.322 1.00 1.28 C ATOM 1413 CD2 LEU A 74 1.955 -13.615 -3.796 1.00 1.71 C ATOM 0 H LEU A 74 -2.388 -14.150 -1.721 1.00 0.60 H new ATOM 0 HA LEU A 74 -1.087 -12.344 -3.428 1.00 0.67 H new ATOM 0 HB2 LEU A 74 -0.389 -13.677 -1.281 1.00 0.95 H new ATOM 0 HB3 LEU A 74 0.071 -14.939 -2.406 1.00 0.95 H new ATOM 0 HG LEU A 74 1.172 -12.118 -2.509 1.00 0.68 H new ATOM 0 HD11 LEU A 74 3.195 -13.087 -1.458 1.00 1.28 H new ATOM 0 HD12 LEU A 74 1.777 -13.214 -0.390 1.00 1.28 H new ATOM 0 HD13 LEU A 74 2.349 -14.643 -1.283 1.00 1.28 H new ATOM 0 HD21 LEU A 74 2.925 -13.129 -3.898 1.00 1.71 H new ATOM 0 HD22 LEU A 74 2.088 -14.697 -3.808 1.00 1.71 H new ATOM 0 HD23 LEU A 74 1.312 -13.319 -4.625 1.00 1.71 H new ATOM 1425 N GLY A 75 -0.687 -13.340 -5.629 1.00 0.58 N ATOM 1426 CA GLY A 75 -0.607 -13.857 -6.981 1.00 0.56 C ATOM 1427 C GLY A 75 -1.917 -13.722 -7.728 1.00 0.51 C ATOM 1428 O GLY A 75 -2.011 -14.083 -8.904 1.00 0.59 O ATOM 0 H GLY A 75 -0.441 -12.354 -5.537 1.00 0.58 H new ATOM 0 HA2 GLY A 75 0.175 -13.326 -7.525 1.00 0.56 H new ATOM 0 HA3 GLY A 75 -0.316 -14.907 -6.949 1.00 0.56 H new ATOM 1432 N GLU A 76 -2.919 -13.179 -7.051 1.00 0.42 N ATOM 1433 CA GLU A 76 -4.249 -13.059 -7.623 1.00 0.40 C ATOM 1434 C GLU A 76 -4.609 -11.601 -7.863 1.00 0.36 C ATOM 1435 O GLU A 76 -3.913 -10.687 -7.416 1.00 0.47 O ATOM 1436 CB GLU A 76 -5.299 -13.723 -6.726 1.00 0.44 C ATOM 1437 CG GLU A 76 -5.129 -15.229 -6.592 1.00 0.92 C ATOM 1438 CD GLU A 76 -5.071 -15.943 -7.928 1.00 1.46 C ATOM 1439 OE1 GLU A 76 -6.099 -15.985 -8.639 1.00 2.37 O ATOM 1440 OE2 GLU A 76 -4.003 -16.492 -8.262 1.00 1.59 O ATOM 0 H GLU A 76 -2.834 -12.814 -6.102 1.00 0.42 H new ATOM 0 HA GLU A 76 -4.241 -13.576 -8.582 1.00 0.40 H new ATOM 0 HB2 GLU A 76 -5.254 -13.272 -5.735 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -6.291 -13.513 -7.127 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -4.215 -15.437 -6.036 1.00 0.92 H new ATOM 0 HG3 GLU A 76 -5.956 -15.631 -6.008 1.00 0.92 H new ATOM 1447 N GLU A 77 -5.709 -11.400 -8.561 1.00 0.39 N ATOM 1448 CA GLU A 77 -6.157 -10.075 -8.951 1.00 0.43 C ATOM 1449 C GLU A 77 -7.631 -9.931 -8.613 1.00 0.44 C ATOM 1450 O GLU A 77 -8.432 -10.816 -8.915 1.00 0.54 O ATOM 1451 CB GLU A 77 -5.944 -9.882 -10.450 1.00 0.53 C ATOM 1452 CG GLU A 77 -6.352 -8.513 -10.964 1.00 0.74 C ATOM 1453 CD GLU A 77 -6.296 -8.431 -12.470 1.00 0.91 C ATOM 1454 OE1 GLU A 77 -5.188 -8.518 -13.028 1.00 1.40 O ATOM 1455 OE2 GLU A 77 -7.361 -8.262 -13.106 1.00 0.90 O ATOM 0 H GLU A 77 -6.321 -12.153 -8.876 1.00 0.39 H new ATOM 0 HA GLU A 77 -5.585 -9.318 -8.414 1.00 0.43 H new ATOM 0 HB2 GLU A 77 -4.891 -10.046 -10.680 1.00 0.53 H new ATOM 0 HB3 GLU A 77 -6.510 -10.643 -10.987 1.00 0.53 H new ATOM 0 HG2 GLU A 77 -7.363 -8.286 -10.627 1.00 0.74 H new ATOM 0 HG3 GLU A 77 -5.696 -7.755 -10.536 1.00 0.74 H new ATOM 1462 N PHE A 78 -7.986 -8.838 -7.973 1.00 0.39 N ATOM 1463 CA PHE A 78 -9.351 -8.617 -7.542 1.00 0.41 C ATOM 1464 C PHE A 78 -9.777 -7.190 -7.841 1.00 0.42 C ATOM 1465 O PHE A 78 -8.938 -6.315 -8.037 1.00 0.42 O ATOM 1466 CB PHE A 78 -9.460 -8.887 -6.039 1.00 0.44 C ATOM 1467 CG PHE A 78 -8.531 -8.041 -5.208 1.00 0.41 C ATOM 1468 CD1 PHE A 78 -7.197 -8.392 -5.062 1.00 0.38 C ATOM 1469 CD2 PHE A 78 -8.989 -6.894 -4.583 1.00 0.51 C ATOM 1470 CE1 PHE A 78 -6.340 -7.616 -4.311 1.00 0.43 C ATOM 1471 CE2 PHE A 78 -8.136 -6.114 -3.828 1.00 0.57 C ATOM 1472 CZ PHE A 78 -6.810 -6.475 -3.693 1.00 0.52 C ATOM 0 H PHE A 78 -7.343 -8.082 -7.738 1.00 0.39 H new ATOM 0 HA PHE A 78 -10.008 -9.296 -8.084 1.00 0.41 H new ATOM 0 HB2 PHE A 78 -10.486 -8.707 -5.719 1.00 0.44 H new ATOM 0 HB3 PHE A 78 -9.247 -9.939 -5.850 1.00 0.44 H new ATOM 0 HD1 PHE A 78 -6.825 -9.285 -5.543 1.00 0.38 H new ATOM 0 HD2 PHE A 78 -10.025 -6.606 -4.687 1.00 0.51 H new ATOM 0 HE1 PHE A 78 -5.303 -7.900 -4.207 1.00 0.43 H new ATOM 0 HE2 PHE A 78 -8.505 -5.222 -3.343 1.00 0.57 H new ATOM 0 HZ PHE A 78 -6.141 -5.865 -3.104 1.00 0.52 H new ATOM 1482 N GLN A 79 -11.076 -6.959 -7.895 1.00 0.46 N ATOM 1483 CA GLN A 79 -11.596 -5.611 -8.017 1.00 0.51 C ATOM 1484 C GLN A 79 -11.845 -5.033 -6.639 1.00 0.50 C ATOM 1485 O GLN A 79 -12.235 -5.752 -5.715 1.00 0.54 O ATOM 1486 CB GLN A 79 -12.874 -5.586 -8.850 1.00 0.62 C ATOM 1487 CG GLN A 79 -12.614 -5.746 -10.333 1.00 1.00 C ATOM 1488 CD GLN A 79 -13.886 -5.927 -11.137 1.00 1.39 C ATOM 1489 OE1 GLN A 79 -14.949 -5.425 -10.769 1.00 1.95 O ATOM 1490 NE2 GLN A 79 -13.782 -6.646 -12.241 1.00 1.94 N ATOM 0 H GLN A 79 -11.789 -7.687 -7.856 1.00 0.46 H new ATOM 0 HA GLN A 79 -10.856 -4.999 -8.532 1.00 0.51 H new ATOM 0 HB2 GLN A 79 -13.536 -6.384 -8.514 1.00 0.62 H new ATOM 0 HB3 GLN A 79 -13.396 -4.645 -8.677 1.00 0.62 H new ATOM 0 HG2 GLN A 79 -12.079 -4.870 -10.700 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -11.964 -6.606 -10.492 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -12.881 -7.043 -12.508 1.00 1.94 H new ATOM 0 HE22 GLN A 79 -14.602 -6.804 -12.826 1.00 1.94 H new ATOM 1499 N ASP A 80 -11.629 -3.741 -6.515 1.00 0.49 N ATOM 1500 CA ASP A 80 -11.710 -3.073 -5.223 1.00 0.49 C ATOM 1501 C ASP A 80 -11.720 -1.568 -5.425 1.00 0.52 C ATOM 1502 O ASP A 80 -11.375 -1.081 -6.506 1.00 0.63 O ATOM 1503 CB ASP A 80 -10.514 -3.470 -4.351 1.00 0.63 C ATOM 1504 CG ASP A 80 -10.754 -3.232 -2.875 1.00 0.74 C ATOM 1505 OD1 ASP A 80 -11.509 -4.006 -2.260 1.00 1.09 O ATOM 1506 OD2 ASP A 80 -10.171 -2.280 -2.319 1.00 1.26 O ATOM 0 H ASP A 80 -11.395 -3.125 -7.294 1.00 0.49 H new ATOM 0 HA ASP A 80 -12.630 -3.376 -4.723 1.00 0.49 H new ATOM 0 HB2 ASP A 80 -10.288 -4.524 -4.512 1.00 0.63 H new ATOM 0 HB3 ASP A 80 -9.637 -2.905 -4.667 1.00 0.63 H new ATOM 1511 N GLU A 81 -12.091 -0.831 -4.388 1.00 0.53 N ATOM 1512 CA GLU A 81 -12.133 0.618 -4.463 1.00 0.65 C ATOM 1513 C GLU A 81 -10.875 1.185 -3.841 1.00 0.63 C ATOM 1514 O GLU A 81 -10.596 0.958 -2.665 1.00 0.82 O ATOM 1515 CB GLU A 81 -13.371 1.174 -3.760 1.00 0.81 C ATOM 1516 CG GLU A 81 -13.515 2.681 -3.895 1.00 1.64 C ATOM 1517 CD GLU A 81 -14.713 3.222 -3.147 1.00 1.78 C ATOM 1518 OE1 GLU A 81 -15.856 2.948 -3.573 1.00 2.13 O ATOM 1519 OE2 GLU A 81 -14.523 3.934 -2.141 1.00 1.81 O ATOM 0 H GLU A 81 -12.367 -1.215 -3.484 1.00 0.53 H new ATOM 0 HA GLU A 81 -12.190 0.913 -5.511 1.00 0.65 H new ATOM 0 HB2 GLU A 81 -14.259 0.693 -4.170 1.00 0.81 H new ATOM 0 HB3 GLU A 81 -13.327 0.914 -2.702 1.00 0.81 H new ATOM 0 HG2 GLU A 81 -12.611 3.163 -3.522 1.00 1.64 H new ATOM 0 HG3 GLU A 81 -13.603 2.940 -4.950 1.00 1.64 H new ATOM 1526 N ALA A 82 -10.113 1.896 -4.648 1.00 0.61 N ATOM 1527 CA ALA A 82 -8.811 2.380 -4.230 1.00 0.67 C ATOM 1528 C ALA A 82 -8.863 3.815 -3.718 1.00 0.60 C ATOM 1529 O ALA A 82 -9.922 4.442 -3.710 1.00 0.59 O ATOM 1530 CB ALA A 82 -7.838 2.239 -5.377 1.00 0.95 C ATOM 0 H ALA A 82 -10.374 2.152 -5.600 1.00 0.61 H new ATOM 0 HA ALA A 82 -8.472 1.773 -3.390 1.00 0.67 H new ATOM 0 HB1 ALA A 82 -6.857 2.601 -5.069 1.00 0.95 H new ATOM 0 HB2 ALA A 82 -7.764 1.190 -5.664 1.00 0.95 H new ATOM 0 HB3 ALA A 82 -8.190 2.824 -6.227 1.00 0.95 H new ATOM 1536 N LEU A 83 -7.712 4.330 -3.282 1.00 0.60 N ATOM 1537 CA LEU A 83 -7.626 5.679 -2.720 1.00 0.58 C ATOM 1538 C LEU A 83 -7.989 6.734 -3.759 1.00 0.59 C ATOM 1539 O LEU A 83 -8.285 7.877 -3.420 1.00 0.62 O ATOM 1540 CB LEU A 83 -6.219 5.964 -2.169 1.00 0.66 C ATOM 1541 CG LEU A 83 -5.786 5.158 -0.931 1.00 0.64 C ATOM 1542 CD1 LEU A 83 -6.844 5.223 0.161 1.00 1.10 C ATOM 1543 CD2 LEU A 83 -5.471 3.713 -1.296 1.00 1.34 C ATOM 0 H LEU A 83 -6.823 3.831 -3.308 1.00 0.60 H new ATOM 0 HA LEU A 83 -8.343 5.730 -1.900 1.00 0.58 H new ATOM 0 HB2 LEU A 83 -5.498 5.779 -2.965 1.00 0.66 H new ATOM 0 HB3 LEU A 83 -6.158 7.024 -1.923 1.00 0.66 H new ATOM 0 HG LEU A 83 -4.873 5.611 -0.544 1.00 0.64 H new ATOM 0 HD11 LEU A 83 -6.512 4.645 1.024 1.00 1.10 H new ATOM 0 HD12 LEU A 83 -6.998 6.261 0.457 1.00 1.10 H new ATOM 0 HD13 LEU A 83 -7.780 4.810 -0.214 1.00 1.10 H new ATOM 0 HD21 LEU A 83 -5.168 3.169 -0.401 1.00 1.34 H new ATOM 0 HD22 LEU A 83 -6.358 3.244 -1.723 1.00 1.34 H new ATOM 0 HD23 LEU A 83 -4.662 3.690 -2.026 1.00 1.34 H new ATOM 1555 N ASP A 84 -7.980 6.341 -5.024 1.00 0.60 N ATOM 1556 CA ASP A 84 -8.353 7.247 -6.106 1.00 0.67 C ATOM 1557 C ASP A 84 -9.872 7.352 -6.233 1.00 0.69 C ATOM 1558 O ASP A 84 -10.389 7.824 -7.250 1.00 0.78 O ATOM 1559 CB ASP A 84 -7.709 6.819 -7.431 1.00 0.70 C ATOM 1560 CG ASP A 84 -8.141 5.443 -7.899 1.00 1.09 C ATOM 1561 OD1 ASP A 84 -7.591 4.442 -7.397 1.00 1.55 O ATOM 1562 OD2 ASP A 84 -9.004 5.348 -8.792 1.00 1.39 O ATOM 0 H ASP A 84 -7.719 5.403 -5.329 1.00 0.60 H new ATOM 0 HA ASP A 84 -7.973 8.239 -5.861 1.00 0.67 H new ATOM 0 HB2 ASP A 84 -7.959 7.550 -8.200 1.00 0.70 H new ATOM 0 HB3 ASP A 84 -6.625 6.832 -7.319 1.00 0.70 H new ATOM 1567 N SER A 85 -10.570 6.884 -5.195 1.00 0.67 N ATOM 1568 CA SER A 85 -12.014 7.087 -5.013 1.00 0.74 C ATOM 1569 C SER A 85 -12.856 6.197 -5.930 1.00 0.77 C ATOM 1570 O SER A 85 -13.964 5.798 -5.568 1.00 1.09 O ATOM 1571 CB SER A 85 -12.381 8.563 -5.196 1.00 0.84 C ATOM 1572 OG SER A 85 -11.700 9.378 -4.251 1.00 1.21 O ATOM 0 H SER A 85 -10.142 6.344 -4.443 1.00 0.67 H new ATOM 0 HA SER A 85 -12.248 6.791 -3.990 1.00 0.74 H new ATOM 0 HB2 SER A 85 -12.127 8.882 -6.207 1.00 0.84 H new ATOM 0 HB3 SER A 85 -13.458 8.691 -5.083 1.00 0.84 H new ATOM 0 HG SER A 85 -11.949 10.316 -4.388 1.00 1.21 H new ATOM 1578 N THR A 86 -12.349 5.899 -7.111 1.00 0.67 N ATOM 1579 CA THR A 86 -13.022 4.976 -8.000 1.00 0.67 C ATOM 1580 C THR A 86 -12.531 3.557 -7.753 1.00 0.66 C ATOM 1581 O THR A 86 -11.501 3.347 -7.100 1.00 0.76 O ATOM 1582 CB THR A 86 -12.811 5.357 -9.478 1.00 0.76 C ATOM 1583 OG1 THR A 86 -11.437 5.686 -9.733 1.00 0.86 O ATOM 1584 CG2 THR A 86 -13.695 6.531 -9.861 1.00 0.93 C ATOM 0 H THR A 86 -11.476 6.282 -7.475 1.00 0.67 H new ATOM 0 HA THR A 86 -14.090 5.031 -7.789 1.00 0.67 H new ATOM 0 HB THR A 86 -13.083 4.493 -10.084 1.00 0.76 H new ATOM 0 HG1 THR A 86 -10.867 5.253 -9.063 1.00 0.86 H new ATOM 0 HG21 THR A 86 -13.530 6.784 -10.908 1.00 0.93 H new ATOM 0 HG22 THR A 86 -14.741 6.263 -9.712 1.00 0.93 H new ATOM 0 HG23 THR A 86 -13.449 7.390 -9.237 1.00 0.93 H new ATOM 1592 N GLN A 87 -13.251 2.579 -8.274 1.00 0.68 N ATOM 1593 CA GLN A 87 -12.861 1.200 -8.085 1.00 0.76 C ATOM 1594 C GLN A 87 -12.369 0.623 -9.383 1.00 0.66 C ATOM 1595 O GLN A 87 -12.754 1.072 -10.464 1.00 0.89 O ATOM 1596 CB GLN A 87 -13.999 0.346 -7.553 1.00 1.02 C ATOM 1597 CG GLN A 87 -15.252 0.381 -8.406 1.00 0.98 C ATOM 1598 CD GLN A 87 -16.308 -0.574 -7.899 1.00 1.13 C ATOM 1599 OE1 GLN A 87 -16.305 -0.819 -6.597 1.00 1.88 O flip ATOM 1600 NE2 GLN A 87 -17.114 -1.092 -8.672 1.00 1.33 N flip ATOM 0 H GLN A 87 -14.099 2.715 -8.825 1.00 0.68 H new ATOM 0 HA GLN A 87 -12.063 1.191 -7.342 1.00 0.76 H new ATOM 0 HB2 GLN A 87 -13.657 -0.686 -7.471 1.00 1.02 H new ATOM 0 HB3 GLN A 87 -14.249 0.680 -6.546 1.00 1.02 H new ATOM 0 HG2 GLN A 87 -15.655 1.394 -8.418 1.00 0.98 H new ATOM 0 HG3 GLN A 87 -14.997 0.127 -9.435 1.00 0.98 H new ATOM 0 HE21 GLN A 87 -17.079 -0.873 -9.668 1.00 1.33 H new ATOM 0 HE22 GLN A 87 -17.817 -1.740 -8.317 1.00 1.33 H new ATOM 1609 N HIS A 88 -11.501 -0.357 -9.276 1.00 0.54 N ATOM 1610 CA HIS A 88 -10.894 -0.949 -10.445 1.00 0.53 C ATOM 1611 C HIS A 88 -10.144 -2.219 -10.091 1.00 0.49 C ATOM 1612 O HIS A 88 -10.213 -2.684 -8.954 1.00 0.51 O ATOM 1613 CB HIS A 88 -9.959 0.059 -11.105 1.00 0.63 C ATOM 1614 CG HIS A 88 -9.135 0.845 -10.134 1.00 0.64 C ATOM 1615 ND1 HIS A 88 -8.192 0.275 -9.309 1.00 0.75 N ATOM 1616 CD2 HIS A 88 -9.156 2.163 -9.828 1.00 1.04 C ATOM 1617 CE1 HIS A 88 -7.676 1.210 -8.535 1.00 0.73 C ATOM 1618 NE2 HIS A 88 -8.240 2.361 -8.832 1.00 0.97 N ATOM 0 H HIS A 88 -11.199 -0.761 -8.389 1.00 0.54 H new ATOM 0 HA HIS A 88 -11.684 -1.218 -11.146 1.00 0.53 H new ATOM 0 HB2 HIS A 88 -9.293 -0.470 -11.787 1.00 0.63 H new ATOM 0 HB3 HIS A 88 -10.550 0.749 -11.707 1.00 0.63 H new ATOM 0 HD2 HIS A 88 -9.779 2.917 -10.285 1.00 1.04 H new ATOM 0 HE1 HIS A 88 -6.917 1.056 -7.782 1.00 0.73 H new ATOM 0 HE2 HIS A 88 -8.028 3.256 -8.391 1.00 0.97 H new ATOM 1627 N LYS A 89 -9.419 -2.766 -11.057 1.00 0.49 N ATOM 1628 CA LYS A 89 -8.709 -4.013 -10.854 1.00 0.49 C ATOM 1629 C LYS A 89 -7.430 -3.772 -10.071 1.00 0.45 C ATOM 1630 O LYS A 89 -6.769 -2.739 -10.233 1.00 0.50 O ATOM 1631 CB LYS A 89 -8.409 -4.682 -12.198 1.00 0.61 C ATOM 1632 CG LYS A 89 -7.708 -3.772 -13.194 1.00 1.06 C ATOM 1633 CD LYS A 89 -7.292 -4.519 -14.446 1.00 1.08 C ATOM 1634 CE LYS A 89 -6.126 -5.448 -14.167 1.00 1.15 C ATOM 1635 NZ LYS A 89 -5.785 -6.279 -15.349 1.00 1.49 N ATOM 0 H LYS A 89 -9.309 -2.363 -11.988 1.00 0.49 H new ATOM 0 HA LYS A 89 -9.342 -4.685 -10.274 1.00 0.49 H new ATOM 0 HB2 LYS A 89 -7.789 -5.562 -12.025 1.00 0.61 H new ATOM 0 HB3 LYS A 89 -9.344 -5.032 -12.636 1.00 0.61 H new ATOM 0 HG2 LYS A 89 -8.371 -2.951 -13.465 1.00 1.06 H new ATOM 0 HG3 LYS A 89 -6.828 -3.330 -12.726 1.00 1.06 H new ATOM 0 HD2 LYS A 89 -8.136 -5.094 -14.827 1.00 1.08 H new ATOM 0 HD3 LYS A 89 -7.015 -3.806 -15.223 1.00 1.08 H new ATOM 0 HE2 LYS A 89 -5.256 -4.861 -13.873 1.00 1.15 H new ATOM 0 HE3 LYS A 89 -6.372 -6.096 -13.326 1.00 1.15 H new ATOM 0 HZ1 LYS A 89 -4.984 -6.900 -15.117 1.00 1.49 H new ATOM 0 HZ2 LYS A 89 -6.607 -6.859 -15.614 1.00 1.49 H new ATOM 0 HZ3 LYS A 89 -5.526 -5.661 -16.144 1.00 1.49 H new ATOM 1649 N ILE A 90 -7.118 -4.710 -9.194 1.00 0.38 N ATOM 1650 CA ILE A 90 -5.942 -4.636 -8.353 1.00 0.35 C ATOM 1651 C ILE A 90 -5.305 -6.012 -8.210 1.00 0.34 C ATOM 1652 O ILE A 90 -5.964 -6.970 -7.804 1.00 0.46 O ATOM 1653 CB ILE A 90 -6.298 -4.106 -6.952 1.00 0.39 C ATOM 1654 CG1 ILE A 90 -6.749 -2.644 -7.028 1.00 0.47 C ATOM 1655 CG2 ILE A 90 -5.113 -4.268 -6.012 1.00 0.38 C ATOM 1656 CD1 ILE A 90 -7.136 -2.059 -5.693 1.00 0.54 C ATOM 0 H ILE A 90 -7.679 -5.549 -9.046 1.00 0.38 H new ATOM 0 HA ILE A 90 -5.240 -3.951 -8.828 1.00 0.35 H new ATOM 0 HB ILE A 90 -7.128 -4.690 -6.556 1.00 0.39 H new ATOM 0 HG12 ILE A 90 -5.945 -2.047 -7.457 1.00 0.47 H new ATOM 0 HG13 ILE A 90 -7.598 -2.570 -7.707 1.00 0.47 H new ATOM 0 HG21 ILE A 90 -5.377 -3.890 -5.025 1.00 0.38 H new ATOM 0 HG22 ILE A 90 -4.849 -5.323 -5.938 1.00 0.38 H new ATOM 0 HG23 ILE A 90 -4.262 -3.708 -6.399 1.00 0.38 H new ATOM 0 HD11 ILE A 90 -7.444 -1.022 -5.826 1.00 0.54 H new ATOM 0 HD12 ILE A 90 -7.962 -2.632 -5.270 1.00 0.54 H new ATOM 0 HD13 ILE A 90 -6.282 -2.100 -5.016 1.00 0.54 H new ATOM 1668 N THR A 91 -4.036 -6.108 -8.546 1.00 0.30 N ATOM 1669 CA THR A 91 -3.311 -7.350 -8.393 1.00 0.30 C ATOM 1670 C THR A 91 -2.321 -7.251 -7.239 1.00 0.28 C ATOM 1671 O THR A 91 -1.592 -6.262 -7.110 1.00 0.31 O ATOM 1672 CB THR A 91 -2.555 -7.713 -9.682 1.00 0.33 C ATOM 1673 OG1 THR A 91 -3.398 -7.502 -10.824 1.00 0.43 O ATOM 1674 CG2 THR A 91 -2.087 -9.160 -9.649 1.00 0.37 C ATOM 0 H THR A 91 -3.485 -5.339 -8.927 1.00 0.30 H new ATOM 0 HA THR A 91 -4.039 -8.133 -8.181 1.00 0.30 H new ATOM 0 HB THR A 91 -1.679 -7.068 -9.755 1.00 0.33 H new ATOM 0 HG1 THR A 91 -2.908 -7.734 -11.640 1.00 0.43 H new ATOM 0 HG21 THR A 91 -1.555 -9.392 -10.572 1.00 0.37 H new ATOM 0 HG22 THR A 91 -1.420 -9.308 -8.799 1.00 0.37 H new ATOM 0 HG23 THR A 91 -2.950 -9.819 -9.552 1.00 0.37 H new ATOM 1682 N PHE A 92 -2.312 -8.276 -6.403 1.00 0.30 N ATOM 1683 CA PHE A 92 -1.362 -8.377 -5.309 1.00 0.33 C ATOM 1684 C PHE A 92 -0.474 -9.580 -5.536 1.00 0.39 C ATOM 1685 O PHE A 92 -0.971 -10.676 -5.785 1.00 0.50 O ATOM 1686 CB PHE A 92 -2.072 -8.513 -3.961 1.00 0.37 C ATOM 1687 CG PHE A 92 -2.250 -7.219 -3.216 1.00 0.33 C ATOM 1688 CD1 PHE A 92 -3.225 -6.310 -3.604 1.00 0.49 C ATOM 1689 CD2 PHE A 92 -1.441 -6.902 -2.140 1.00 0.40 C ATOM 1690 CE1 PHE A 92 -3.387 -5.112 -2.932 1.00 0.60 C ATOM 1691 CE2 PHE A 92 -1.599 -5.710 -1.466 1.00 0.46 C ATOM 1692 CZ PHE A 92 -2.584 -4.843 -1.816 1.00 0.52 C ATOM 0 H PHE A 92 -2.962 -9.060 -6.464 1.00 0.30 H new ATOM 0 HA PHE A 92 -0.767 -7.464 -5.284 1.00 0.33 H new ATOM 0 HB2 PHE A 92 -3.052 -8.961 -4.125 1.00 0.37 H new ATOM 0 HB3 PHE A 92 -1.506 -9.203 -3.335 1.00 0.37 H new ATOM 0 HD1 PHE A 92 -3.866 -6.541 -4.442 1.00 0.49 H new ATOM 0 HD2 PHE A 92 -0.677 -7.596 -1.824 1.00 0.40 H new ATOM 0 HE1 PHE A 92 -4.122 -4.394 -3.263 1.00 0.60 H new ATOM 0 HE2 PHE A 92 -0.933 -5.463 -0.652 1.00 0.46 H new ATOM 0 HZ PHE A 92 -2.748 -3.948 -1.235 1.00 0.52 H new ATOM 1702 N ASP A 93 0.827 -9.386 -5.440 1.00 0.37 N ATOM 1703 CA ASP A 93 1.777 -10.456 -5.707 1.00 0.43 C ATOM 1704 C ASP A 93 3.163 -10.006 -5.290 1.00 0.36 C ATOM 1705 O ASP A 93 3.353 -8.852 -4.918 1.00 0.39 O ATOM 1706 CB ASP A 93 1.764 -10.858 -7.192 1.00 0.58 C ATOM 1707 CG ASP A 93 2.330 -9.797 -8.117 1.00 0.80 C ATOM 1708 OD1 ASP A 93 1.622 -8.805 -8.388 1.00 1.69 O ATOM 1709 OD2 ASP A 93 3.491 -9.931 -8.554 1.00 1.24 O ATOM 0 H ASP A 93 1.254 -8.497 -5.179 1.00 0.37 H new ATOM 0 HA ASP A 93 1.488 -11.334 -5.130 1.00 0.43 H new ATOM 0 HB2 ASP A 93 2.336 -11.777 -7.315 1.00 0.58 H new ATOM 0 HB3 ASP A 93 0.739 -11.078 -7.491 1.00 0.58 H new ATOM 1714 N LEU A 94 4.125 -10.909 -5.346 1.00 0.42 N ATOM 1715 CA LEU A 94 5.474 -10.590 -4.913 1.00 0.51 C ATOM 1716 C LEU A 94 6.423 -10.518 -6.089 1.00 0.56 C ATOM 1717 O LEU A 94 6.447 -11.403 -6.948 1.00 0.63 O ATOM 1718 CB LEU A 94 5.981 -11.593 -3.885 1.00 0.61 C ATOM 1719 CG LEU A 94 6.044 -11.039 -2.462 1.00 0.64 C ATOM 1720 CD1 LEU A 94 4.653 -10.745 -1.938 1.00 1.02 C ATOM 1721 CD2 LEU A 94 6.772 -11.995 -1.547 1.00 1.12 C ATOM 0 H LEU A 94 3.999 -11.863 -5.685 1.00 0.42 H new ATOM 0 HA LEU A 94 5.437 -9.609 -4.440 1.00 0.51 H new ATOM 0 HB2 LEU A 94 5.333 -12.469 -3.895 1.00 0.61 H new ATOM 0 HB3 LEU A 94 6.976 -11.929 -4.179 1.00 0.61 H new ATOM 0 HG LEU A 94 6.602 -10.103 -2.486 1.00 0.64 H new ATOM 0 HD11 LEU A 94 4.722 -10.352 -0.924 1.00 1.02 H new ATOM 0 HD12 LEU A 94 4.170 -10.009 -2.581 1.00 1.02 H new ATOM 0 HD13 LEU A 94 4.065 -11.663 -1.932 1.00 1.02 H new ATOM 0 HD21 LEU A 94 6.805 -11.580 -0.539 1.00 1.12 H new ATOM 0 HD22 LEU A 94 6.249 -12.951 -1.529 1.00 1.12 H new ATOM 0 HD23 LEU A 94 7.788 -12.144 -1.911 1.00 1.12 H new ATOM 1733 N LYS A 95 7.204 -9.453 -6.114 1.00 0.58 N ATOM 1734 CA LYS A 95 8.186 -9.238 -7.160 1.00 0.66 C ATOM 1735 C LYS A 95 9.481 -9.926 -6.757 1.00 0.69 C ATOM 1736 O LYS A 95 10.166 -10.541 -7.574 1.00 0.78 O ATOM 1737 CB LYS A 95 8.393 -7.732 -7.370 1.00 0.70 C ATOM 1738 CG LYS A 95 9.437 -7.371 -8.420 1.00 0.91 C ATOM 1739 CD LYS A 95 10.739 -6.896 -7.786 1.00 1.61 C ATOM 1740 CE LYS A 95 10.545 -5.613 -6.987 1.00 2.08 C ATOM 1741 NZ LYS A 95 10.131 -4.473 -7.845 1.00 3.03 N ATOM 0 H LYS A 95 7.175 -8.714 -5.411 1.00 0.58 H new ATOM 0 HA LYS A 95 7.842 -9.661 -8.104 1.00 0.66 H new ATOM 0 HB2 LYS A 95 7.441 -7.285 -7.656 1.00 0.70 H new ATOM 0 HB3 LYS A 95 8.683 -7.283 -6.420 1.00 0.70 H new ATOM 0 HG2 LYS A 95 9.635 -8.239 -9.049 1.00 0.91 H new ATOM 0 HG3 LYS A 95 9.043 -6.590 -9.070 1.00 0.91 H new ATOM 0 HD2 LYS A 95 11.130 -7.675 -7.132 1.00 1.61 H new ATOM 0 HD3 LYS A 95 11.483 -6.730 -8.565 1.00 1.61 H new ATOM 0 HE2 LYS A 95 9.792 -5.778 -6.217 1.00 2.08 H new ATOM 0 HE3 LYS A 95 11.474 -5.362 -6.476 1.00 2.08 H new ATOM 0 HZ1 LYS A 95 10.878 -3.749 -7.844 1.00 3.03 H new ATOM 0 HZ2 LYS A 95 9.975 -4.809 -8.817 1.00 3.03 H new ATOM 0 HZ3 LYS A 95 9.250 -4.062 -7.475 1.00 3.03 H new ATOM 1755 N ASP A 96 9.789 -9.820 -5.475 1.00 0.65 N ATOM 1756 CA ASP A 96 10.896 -10.535 -4.867 1.00 0.70 C ATOM 1757 C ASP A 96 10.492 -10.889 -3.441 1.00 0.65 C ATOM 1758 O ASP A 96 9.551 -10.299 -2.911 1.00 0.60 O ATOM 1759 CB ASP A 96 12.174 -9.681 -4.884 1.00 0.76 C ATOM 1760 CG ASP A 96 12.080 -8.435 -4.026 1.00 1.09 C ATOM 1761 OD1 ASP A 96 11.753 -7.360 -4.563 1.00 1.03 O ATOM 1762 OD2 ASP A 96 12.355 -8.521 -2.813 1.00 1.79 O ATOM 0 H ASP A 96 9.273 -9.230 -4.823 1.00 0.65 H new ATOM 0 HA ASP A 96 11.115 -11.443 -5.430 1.00 0.70 H new ATOM 0 HB2 ASP A 96 13.011 -10.288 -4.539 1.00 0.76 H new ATOM 0 HB3 ASP A 96 12.393 -9.390 -5.911 1.00 0.76 H new ATOM 1767 N PRO A 97 11.179 -11.862 -2.806 1.00 0.73 N ATOM 1768 CA PRO A 97 10.816 -12.381 -1.467 1.00 0.76 C ATOM 1769 C PRO A 97 10.890 -11.339 -0.347 1.00 0.66 C ATOM 1770 O PRO A 97 10.760 -11.675 0.832 1.00 0.73 O ATOM 1771 CB PRO A 97 11.850 -13.486 -1.217 1.00 0.91 C ATOM 1772 CG PRO A 97 12.379 -13.835 -2.563 1.00 0.98 C ATOM 1773 CD PRO A 97 12.358 -12.560 -3.347 1.00 0.87 C ATOM 0 HA PRO A 97 9.778 -12.714 -1.457 1.00 0.76 H new ATOM 0 HB2 PRO A 97 12.646 -13.139 -0.559 1.00 0.91 H new ATOM 0 HB3 PRO A 97 11.394 -14.351 -0.736 1.00 0.91 H new ATOM 0 HG2 PRO A 97 13.390 -14.237 -2.495 1.00 0.98 H new ATOM 0 HG3 PRO A 97 11.764 -14.598 -3.040 1.00 0.98 H new ATOM 0 HD2 PRO A 97 13.271 -11.982 -3.203 1.00 0.87 H new ATOM 0 HD3 PRO A 97 12.263 -12.745 -4.417 1.00 0.87 H new ATOM 1781 N ASN A 98 11.095 -10.084 -0.713 1.00 0.57 N ATOM 1782 CA ASN A 98 11.175 -9.001 0.251 1.00 0.55 C ATOM 1783 C ASN A 98 10.199 -7.879 -0.114 1.00 0.46 C ATOM 1784 O ASN A 98 9.943 -6.988 0.691 1.00 0.50 O ATOM 1785 CB ASN A 98 12.618 -8.475 0.320 1.00 0.68 C ATOM 1786 CG ASN A 98 12.770 -7.204 1.141 1.00 1.38 C ATOM 1787 OD1 ASN A 98 12.694 -6.095 0.609 1.00 2.32 O ATOM 1788 ND2 ASN A 98 12.995 -7.354 2.435 1.00 1.91 N ATOM 0 H ASN A 98 11.210 -9.789 -1.683 1.00 0.57 H new ATOM 0 HA ASN A 98 10.893 -9.378 1.234 1.00 0.55 H new ATOM 0 HB2 ASN A 98 13.257 -9.249 0.745 1.00 0.68 H new ATOM 0 HB3 ASN A 98 12.975 -8.287 -0.693 1.00 0.68 H new ATOM 0 HD21 ASN A 98 13.113 -6.534 3.031 1.00 1.91 H new ATOM 0 HD22 ASN A 98 13.051 -8.289 2.838 1.00 1.91 H new ATOM 1795 N THR A 99 9.618 -7.946 -1.310 1.00 0.43 N ATOM 1796 CA THR A 99 8.767 -6.866 -1.797 1.00 0.39 C ATOM 1797 C THR A 99 7.411 -7.366 -2.302 1.00 0.33 C ATOM 1798 O THR A 99 7.333 -8.072 -3.314 1.00 0.37 O ATOM 1799 CB THR A 99 9.449 -6.097 -2.943 1.00 0.48 C ATOM 1800 OG1 THR A 99 10.791 -5.761 -2.579 1.00 0.56 O ATOM 1801 CG2 THR A 99 8.683 -4.827 -3.279 1.00 0.51 C ATOM 0 H THR A 99 9.720 -8.730 -1.954 1.00 0.43 H new ATOM 0 HA THR A 99 8.604 -6.210 -0.942 1.00 0.39 H new ATOM 0 HB THR A 99 9.459 -6.742 -3.822 1.00 0.48 H new ATOM 0 HG1 THR A 99 11.416 -6.192 -3.199 1.00 0.56 H new ATOM 0 HG21 THR A 99 9.186 -4.303 -4.092 1.00 0.51 H new ATOM 0 HG22 THR A 99 7.669 -5.084 -3.586 1.00 0.51 H new ATOM 0 HG23 THR A 99 8.644 -4.183 -2.401 1.00 0.51 H new ATOM 1809 N LEU A 100 6.353 -6.989 -1.594 1.00 0.28 N ATOM 1810 CA LEU A 100 4.985 -7.181 -2.068 1.00 0.26 C ATOM 1811 C LEU A 100 4.697 -6.097 -3.104 1.00 0.27 C ATOM 1812 O LEU A 100 5.251 -5.010 -3.013 1.00 0.34 O ATOM 1813 CB LEU A 100 4.006 -7.045 -0.890 1.00 0.28 C ATOM 1814 CG LEU A 100 2.809 -8.005 -0.859 1.00 0.45 C ATOM 1815 CD1 LEU A 100 1.936 -7.708 0.350 1.00 1.10 C ATOM 1816 CD2 LEU A 100 1.980 -7.912 -2.131 1.00 1.10 C ATOM 0 H LEU A 100 6.417 -6.543 -0.679 1.00 0.28 H new ATOM 0 HA LEU A 100 4.866 -8.172 -2.507 1.00 0.26 H new ATOM 0 HB2 LEU A 100 4.569 -7.177 0.034 1.00 0.28 H new ATOM 0 HB3 LEU A 100 3.621 -6.025 -0.886 1.00 0.28 H new ATOM 0 HG LEU A 100 3.199 -9.020 -0.788 1.00 0.45 H new ATOM 0 HD11 LEU A 100 1.089 -8.394 0.364 1.00 1.10 H new ATOM 0 HD12 LEU A 100 2.521 -7.835 1.261 1.00 1.10 H new ATOM 0 HD13 LEU A 100 1.572 -6.682 0.292 1.00 1.10 H new ATOM 0 HD21 LEU A 100 1.142 -8.607 -2.071 1.00 1.10 H new ATOM 0 HD22 LEU A 100 1.602 -6.896 -2.245 1.00 1.10 H new ATOM 0 HD23 LEU A 100 2.601 -8.167 -2.990 1.00 1.10 H new ATOM 1828 N THR A 101 3.869 -6.371 -4.094 1.00 0.29 N ATOM 1829 CA THR A 101 3.515 -5.350 -5.065 1.00 0.31 C ATOM 1830 C THR A 101 2.004 -5.244 -5.236 1.00 0.30 C ATOM 1831 O THR A 101 1.301 -6.258 -5.318 1.00 0.31 O ATOM 1832 CB THR A 101 4.175 -5.619 -6.434 1.00 0.36 C ATOM 1833 OG1 THR A 101 4.005 -6.990 -6.809 1.00 0.36 O ATOM 1834 CG2 THR A 101 5.654 -5.283 -6.397 1.00 0.41 C ATOM 0 H THR A 101 3.433 -7.280 -4.248 1.00 0.29 H new ATOM 0 HA THR A 101 3.890 -4.403 -4.677 1.00 0.31 H new ATOM 0 HB THR A 101 3.688 -4.981 -7.172 1.00 0.36 H new ATOM 0 HG1 THR A 101 3.623 -7.490 -6.057 1.00 0.36 H new ATOM 0 HG21 THR A 101 6.097 -5.481 -7.373 1.00 0.41 H new ATOM 0 HG22 THR A 101 5.782 -4.230 -6.148 1.00 0.41 H new ATOM 0 HG23 THR A 101 6.148 -5.897 -5.644 1.00 0.41 H new ATOM 1842 N GLU A 102 1.518 -4.011 -5.267 1.00 0.31 N ATOM 1843 CA GLU A 102 0.107 -3.727 -5.496 1.00 0.33 C ATOM 1844 C GLU A 102 -0.060 -2.930 -6.784 1.00 0.35 C ATOM 1845 O GLU A 102 0.312 -1.758 -6.853 1.00 0.40 O ATOM 1846 CB GLU A 102 -0.489 -2.948 -4.315 1.00 0.39 C ATOM 1847 CG GLU A 102 -1.897 -2.421 -4.572 1.00 0.56 C ATOM 1848 CD GLU A 102 -2.525 -1.761 -3.354 1.00 0.70 C ATOM 1849 OE1 GLU A 102 -1.853 -1.697 -2.300 1.00 1.31 O ATOM 1850 OE2 GLU A 102 -3.680 -1.293 -3.450 1.00 0.98 O ATOM 0 H GLU A 102 2.091 -3.178 -5.134 1.00 0.31 H new ATOM 0 HA GLU A 102 -0.426 -4.673 -5.588 1.00 0.33 H new ATOM 0 HB2 GLU A 102 -0.508 -3.595 -3.438 1.00 0.39 H new ATOM 0 HB3 GLU A 102 0.165 -2.109 -4.078 1.00 0.39 H new ATOM 0 HG2 GLU A 102 -1.864 -1.701 -5.390 1.00 0.56 H new ATOM 0 HG3 GLU A 102 -2.532 -3.245 -4.898 1.00 0.56 H new ATOM 1857 N THR A 103 -0.605 -3.567 -7.806 1.00 0.36 N ATOM 1858 CA THR A 103 -0.818 -2.909 -9.082 1.00 0.39 C ATOM 1859 C THR A 103 -2.300 -2.625 -9.277 1.00 0.39 C ATOM 1860 O THR A 103 -3.116 -3.545 -9.278 1.00 0.42 O ATOM 1861 CB THR A 103 -0.314 -3.781 -10.249 1.00 0.43 C ATOM 1862 OG1 THR A 103 1.057 -4.137 -10.031 1.00 0.51 O ATOM 1863 CG2 THR A 103 -0.445 -3.049 -11.579 1.00 0.46 C ATOM 0 H THR A 103 -0.908 -4.540 -7.776 1.00 0.36 H new ATOM 0 HA THR A 103 -0.256 -1.975 -9.075 1.00 0.39 H new ATOM 0 HB THR A 103 -0.927 -4.681 -10.290 1.00 0.43 H new ATOM 0 HG1 THR A 103 1.373 -4.693 -10.774 1.00 0.51 H new ATOM 0 HG21 THR A 103 -0.082 -3.688 -12.384 1.00 0.46 H new ATOM 0 HG22 THR A 103 -1.492 -2.801 -11.757 1.00 0.46 H new ATOM 0 HG23 THR A 103 0.145 -2.133 -11.550 1.00 0.46 H new ATOM 1871 N HIS A 104 -2.654 -1.358 -9.423 1.00 0.40 N ATOM 1872 CA HIS A 104 -4.046 -1.005 -9.632 1.00 0.45 C ATOM 1873 C HIS A 104 -4.235 -0.289 -10.962 1.00 0.40 C ATOM 1874 O HIS A 104 -3.528 0.676 -11.273 1.00 0.48 O ATOM 1875 CB HIS A 104 -4.598 -0.167 -8.466 1.00 0.70 C ATOM 1876 CG HIS A 104 -4.072 1.236 -8.355 1.00 0.62 C ATOM 1877 ND1 HIS A 104 -4.667 2.317 -8.981 1.00 1.17 N ATOM 1878 CD2 HIS A 104 -3.045 1.744 -7.634 1.00 1.22 C ATOM 1879 CE1 HIS A 104 -4.031 3.423 -8.644 1.00 1.60 C ATOM 1880 NE2 HIS A 104 -3.047 3.102 -7.831 1.00 1.69 N ATOM 0 H HIS A 104 -2.007 -0.569 -9.401 1.00 0.40 H new ATOM 0 HA HIS A 104 -4.618 -1.932 -9.666 1.00 0.45 H new ATOM 0 HB2 HIS A 104 -5.683 -0.120 -8.560 1.00 0.70 H new ATOM 0 HB3 HIS A 104 -4.381 -0.690 -7.535 1.00 0.70 H new ATOM 0 HD2 HIS A 104 -2.354 1.186 -7.020 1.00 1.22 H new ATOM 0 HE1 HIS A 104 -4.276 4.420 -8.978 1.00 1.60 H new ATOM 0 HE2 HIS A 104 -2.389 3.760 -7.413 1.00 1.69 H new ATOM 1889 N ILE A 105 -5.178 -0.788 -11.747 1.00 0.45 N ATOM 1890 CA ILE A 105 -5.489 -0.223 -13.051 1.00 0.52 C ATOM 1891 C ILE A 105 -6.989 0.009 -13.173 1.00 0.54 C ATOM 1892 O ILE A 105 -7.788 -0.854 -12.804 1.00 0.55 O ATOM 1893 CB ILE A 105 -5.021 -1.160 -14.181 1.00 0.61 C ATOM 1894 CG1 ILE A 105 -3.526 -1.443 -14.036 1.00 0.65 C ATOM 1895 CG2 ILE A 105 -5.328 -0.556 -15.548 1.00 0.72 C ATOM 1896 CD1 ILE A 105 -2.977 -2.345 -15.111 1.00 0.75 C ATOM 0 H ILE A 105 -5.749 -1.596 -11.498 1.00 0.45 H new ATOM 0 HA ILE A 105 -4.963 0.727 -13.144 1.00 0.52 H new ATOM 0 HB ILE A 105 -5.565 -2.101 -14.103 1.00 0.61 H new ATOM 0 HG12 ILE A 105 -2.982 -0.498 -14.053 1.00 0.65 H new ATOM 0 HG13 ILE A 105 -3.343 -1.898 -13.063 1.00 0.65 H new ATOM 0 HG21 ILE A 105 -4.989 -1.235 -16.330 1.00 0.72 H new ATOM 0 HG22 ILE A 105 -6.403 -0.400 -15.644 1.00 0.72 H new ATOM 0 HG23 ILE A 105 -4.812 0.399 -15.648 1.00 0.72 H new ATOM 0 HD11 ILE A 105 -1.911 -2.502 -14.945 1.00 0.75 H new ATOM 0 HD12 ILE A 105 -3.494 -3.304 -15.081 1.00 0.75 H new ATOM 0 HD13 ILE A 105 -3.128 -1.882 -16.086 1.00 0.75 H new ATOM 1908 N LYS A 106 -7.365 1.188 -13.645 1.00 0.59 N ATOM 1909 CA LYS A 106 -8.774 1.536 -13.804 1.00 0.63 C ATOM 1910 C LYS A 106 -9.482 0.640 -14.820 1.00 0.67 C ATOM 1911 O LYS A 106 -9.102 0.574 -15.986 1.00 0.70 O ATOM 1912 CB LYS A 106 -8.931 3.006 -14.188 1.00 0.73 C ATOM 1913 CG LYS A 106 -8.906 3.954 -12.996 1.00 0.81 C ATOM 1914 CD LYS A 106 -9.108 5.395 -13.430 1.00 1.05 C ATOM 1915 CE LYS A 106 -9.407 6.312 -12.254 1.00 1.47 C ATOM 1916 NZ LYS A 106 -8.329 6.304 -11.228 1.00 1.61 N ATOM 0 H LYS A 106 -6.715 1.923 -13.926 1.00 0.59 H new ATOM 0 HA LYS A 106 -9.252 1.371 -12.838 1.00 0.63 H new ATOM 0 HB2 LYS A 106 -8.132 3.280 -14.876 1.00 0.73 H new ATOM 0 HB3 LYS A 106 -9.871 3.134 -14.724 1.00 0.73 H new ATOM 0 HG2 LYS A 106 -9.686 3.673 -12.289 1.00 0.81 H new ATOM 0 HG3 LYS A 106 -7.954 3.860 -12.474 1.00 0.81 H new ATOM 0 HD2 LYS A 106 -8.214 5.747 -13.945 1.00 1.05 H new ATOM 0 HD3 LYS A 106 -9.928 5.446 -14.146 1.00 1.05 H new ATOM 0 HE2 LYS A 106 -9.547 7.329 -12.619 1.00 1.47 H new ATOM 0 HE3 LYS A 106 -10.345 6.007 -11.791 1.00 1.47 H new ATOM 0 HZ1 LYS A 106 -8.191 7.268 -10.862 1.00 1.61 H new ATOM 0 HZ2 LYS A 106 -8.598 5.672 -10.447 1.00 1.61 H new ATOM 0 HZ3 LYS A 106 -7.444 5.967 -11.657 1.00 1.61 H new ATOM 1930 N VAL A 107 -10.509 -0.061 -14.332 1.00 0.70 N ATOM 1931 CA VAL A 107 -11.360 -0.910 -15.167 1.00 0.78 C ATOM 1932 C VAL A 107 -12.038 -0.089 -16.254 1.00 0.86 C ATOM 1933 O VAL A 107 -12.324 -0.587 -17.343 1.00 0.92 O ATOM 1934 CB VAL A 107 -12.443 -1.630 -14.330 1.00 0.85 C ATOM 1935 CG1 VAL A 107 -11.800 -2.485 -13.264 1.00 1.32 C ATOM 1936 CG2 VAL A 107 -13.416 -0.644 -13.696 1.00 1.11 C ATOM 0 H VAL A 107 -10.773 -0.055 -13.347 1.00 0.70 H new ATOM 0 HA VAL A 107 -10.713 -1.660 -15.622 1.00 0.78 H new ATOM 0 HB VAL A 107 -13.011 -2.267 -15.007 1.00 0.85 H new ATOM 0 HG11 VAL A 107 -12.574 -2.986 -12.683 1.00 1.32 H new ATOM 0 HG12 VAL A 107 -11.159 -3.231 -13.734 1.00 1.32 H new ATOM 0 HG13 VAL A 107 -11.201 -1.856 -12.605 1.00 1.32 H new ATOM 0 HG21 VAL A 107 -14.161 -1.189 -13.117 1.00 1.11 H new ATOM 0 HG22 VAL A 107 -12.871 0.034 -13.039 1.00 1.11 H new ATOM 0 HG23 VAL A 107 -13.913 -0.070 -14.478 1.00 1.11 H new ATOM 1946 N ASP A 108 -12.281 1.176 -15.938 1.00 0.89 N ATOM 1947 CA ASP A 108 -12.915 2.101 -16.869 1.00 1.00 C ATOM 1948 C ASP A 108 -11.928 2.528 -17.941 1.00 0.97 C ATOM 1949 O ASP A 108 -12.139 2.296 -19.130 1.00 1.06 O ATOM 1950 CB ASP A 108 -13.432 3.341 -16.134 1.00 1.05 C ATOM 1951 CG ASP A 108 -14.587 3.045 -15.203 1.00 1.84 C ATOM 1952 OD1 ASP A 108 -14.345 2.850 -13.996 1.00 2.47 O ATOM 1953 OD2 ASP A 108 -15.739 2.981 -15.677 1.00 2.50 O ATOM 0 H ASP A 108 -12.046 1.588 -15.035 1.00 0.89 H new ATOM 0 HA ASP A 108 -13.757 1.587 -17.334 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -12.616 3.782 -15.561 1.00 1.05 H new ATOM 0 HB3 ASP A 108 -13.746 4.085 -16.866 1.00 1.05 H new ATOM 1958 N ASP A 109 -10.849 3.146 -17.501 1.00 0.91 N ATOM 1959 CA ASP A 109 -9.804 3.610 -18.392 1.00 0.92 C ATOM 1960 C ASP A 109 -8.448 3.210 -17.852 1.00 0.84 C ATOM 1961 O ASP A 109 -7.905 3.861 -16.956 1.00 0.85 O ATOM 1962 CB ASP A 109 -9.869 5.125 -18.587 1.00 1.03 C ATOM 1963 CG ASP A 109 -10.901 5.538 -19.614 1.00 1.63 C ATOM 1964 OD1 ASP A 109 -12.055 5.826 -19.229 1.00 2.39 O ATOM 1965 OD2 ASP A 109 -10.562 5.588 -20.811 1.00 1.94 O ATOM 0 H ASP A 109 -10.672 3.340 -16.515 1.00 0.91 H new ATOM 0 HA ASP A 109 -9.957 3.142 -19.364 1.00 0.92 H new ATOM 0 HB2 ASP A 109 -10.101 5.600 -17.634 1.00 1.03 H new ATOM 0 HB3 ASP A 109 -8.889 5.490 -18.895 1.00 1.03 H new ATOM 1970 N PRO A 110 -7.890 2.127 -18.397 1.00 0.80 N ATOM 1971 CA PRO A 110 -6.598 1.567 -17.975 1.00 0.78 C ATOM 1972 C PRO A 110 -5.417 2.471 -18.305 1.00 0.86 C ATOM 1973 O PRO A 110 -4.264 2.039 -18.276 1.00 0.90 O ATOM 1974 CB PRO A 110 -6.505 0.267 -18.772 1.00 0.80 C ATOM 1975 CG PRO A 110 -7.350 0.508 -19.965 1.00 0.84 C ATOM 1976 CD PRO A 110 -8.494 1.337 -19.479 1.00 0.83 C ATOM 0 HA PRO A 110 -6.553 1.437 -16.894 1.00 0.78 H new ATOM 0 HB2 PRO A 110 -5.475 0.045 -19.052 1.00 0.80 H new ATOM 0 HB3 PRO A 110 -6.868 -0.582 -18.192 1.00 0.80 H new ATOM 0 HG2 PRO A 110 -6.791 1.027 -20.744 1.00 0.84 H new ATOM 0 HG3 PRO A 110 -7.700 -0.431 -20.395 1.00 0.84 H new ATOM 0 HD2 PRO A 110 -8.896 1.973 -20.268 1.00 0.83 H new ATOM 0 HD3 PRO A 110 -9.316 0.719 -19.118 1.00 0.83 H new ATOM 1984 N THR A 111 -5.707 3.716 -18.631 1.00 0.93 N ATOM 1985 CA THR A 111 -4.679 4.704 -18.856 1.00 1.05 C ATOM 1986 C THR A 111 -4.037 5.072 -17.525 1.00 0.94 C ATOM 1987 O THR A 111 -2.840 5.363 -17.453 1.00 0.98 O ATOM 1988 CB THR A 111 -5.271 5.951 -19.537 1.00 1.30 C ATOM 1989 OG1 THR A 111 -6.426 6.404 -18.811 1.00 1.33 O ATOM 1990 CG2 THR A 111 -5.670 5.632 -20.969 1.00 1.47 C ATOM 0 H THR A 111 -6.658 4.066 -18.746 1.00 0.93 H new ATOM 0 HA THR A 111 -3.918 4.290 -19.518 1.00 1.05 H new ATOM 0 HB THR A 111 -4.513 6.735 -19.543 1.00 1.30 H new ATOM 0 HG1 THR A 111 -6.797 7.199 -19.249 1.00 1.33 H new ATOM 0 HG21 THR A 111 -6.087 6.523 -21.438 1.00 1.47 H new ATOM 0 HG22 THR A 111 -4.793 5.305 -21.527 1.00 1.47 H new ATOM 0 HG23 THR A 111 -6.417 4.838 -20.970 1.00 1.47 H new ATOM 1998 N ASP A 112 -4.853 5.026 -16.476 1.00 0.86 N ATOM 1999 CA ASP A 112 -4.390 5.234 -15.112 1.00 0.86 C ATOM 2000 C ASP A 112 -3.829 3.940 -14.539 1.00 0.79 C ATOM 2001 O ASP A 112 -4.575 3.023 -14.182 1.00 1.18 O ATOM 2002 CB ASP A 112 -5.541 5.741 -14.242 1.00 1.05 C ATOM 2003 CG ASP A 112 -5.166 5.885 -12.779 1.00 1.29 C ATOM 2004 OD1 ASP A 112 -5.904 5.358 -11.919 1.00 1.59 O ATOM 2005 OD2 ASP A 112 -4.142 6.539 -12.480 1.00 1.40 O ATOM 0 H ASP A 112 -5.854 4.843 -16.550 1.00 0.86 H new ATOM 0 HA ASP A 112 -3.597 5.981 -15.121 1.00 0.86 H new ATOM 0 HB2 ASP A 112 -5.876 6.706 -14.621 1.00 1.05 H new ATOM 0 HB3 ASP A 112 -6.383 5.054 -14.329 1.00 1.05 H new ATOM 2010 N VAL A 113 -2.512 3.868 -14.475 1.00 0.66 N ATOM 2011 CA VAL A 113 -1.819 2.722 -13.965 1.00 0.68 C ATOM 2012 C VAL A 113 -0.894 3.164 -12.836 1.00 0.60 C ATOM 2013 O VAL A 113 -0.189 4.158 -12.977 1.00 0.79 O ATOM 2014 CB VAL A 113 -0.991 2.070 -15.088 1.00 0.86 C ATOM 2015 CG1 VAL A 113 0.035 1.134 -14.508 1.00 1.60 C ATOM 2016 CG2 VAL A 113 -1.889 1.344 -16.076 1.00 1.23 C ATOM 0 H VAL A 113 -1.895 4.619 -14.782 1.00 0.66 H new ATOM 0 HA VAL A 113 -2.539 1.996 -13.589 1.00 0.68 H new ATOM 0 HB VAL A 113 -0.470 2.859 -15.630 1.00 0.86 H new ATOM 0 HG11 VAL A 113 0.612 0.681 -15.315 1.00 1.60 H new ATOM 0 HG12 VAL A 113 0.704 1.690 -13.851 1.00 1.60 H new ATOM 0 HG13 VAL A 113 -0.467 0.352 -13.938 1.00 1.60 H new ATOM 0 HG21 VAL A 113 -1.279 0.893 -16.859 1.00 1.23 H new ATOM 0 HG22 VAL A 113 -2.447 0.565 -15.556 1.00 1.23 H new ATOM 0 HG23 VAL A 113 -2.586 2.053 -16.523 1.00 1.23 H new ATOM 2026 N GLU A 114 -0.922 2.466 -11.713 1.00 0.45 N ATOM 2027 CA GLU A 114 -0.025 2.790 -10.614 1.00 0.47 C ATOM 2028 C GLU A 114 0.270 1.553 -9.777 1.00 0.44 C ATOM 2029 O GLU A 114 -0.589 0.678 -9.618 1.00 0.48 O ATOM 2030 CB GLU A 114 -0.640 3.899 -9.759 1.00 0.64 C ATOM 2031 CG GLU A 114 0.149 4.247 -8.507 1.00 0.96 C ATOM 2032 CD GLU A 114 -0.465 5.401 -7.749 1.00 1.94 C ATOM 2033 OE1 GLU A 114 -1.571 5.228 -7.194 1.00 2.78 O ATOM 2034 OE2 GLU A 114 0.149 6.487 -7.716 1.00 2.10 O ATOM 0 H GLU A 114 -1.548 1.680 -11.538 1.00 0.45 H new ATOM 0 HA GLU A 114 0.922 3.146 -11.020 1.00 0.47 H new ATOM 0 HB2 GLU A 114 -0.741 4.796 -10.370 1.00 0.64 H new ATOM 0 HB3 GLU A 114 -1.646 3.598 -9.466 1.00 0.64 H new ATOM 0 HG2 GLU A 114 0.200 3.373 -7.857 1.00 0.96 H new ATOM 0 HG3 GLU A 114 1.173 4.499 -8.783 1.00 0.96 H new ATOM 2041 N THR A 115 1.488 1.475 -9.264 1.00 0.45 N ATOM 2042 CA THR A 115 1.917 0.334 -8.479 1.00 0.45 C ATOM 2043 C THR A 115 2.587 0.776 -7.180 1.00 0.44 C ATOM 2044 O THR A 115 3.466 1.638 -7.178 1.00 0.51 O ATOM 2045 CB THR A 115 2.895 -0.547 -9.283 1.00 0.49 C ATOM 2046 OG1 THR A 115 2.308 -0.886 -10.547 1.00 0.53 O ATOM 2047 CG2 THR A 115 3.241 -1.821 -8.524 1.00 0.53 C ATOM 0 H THR A 115 2.200 2.196 -9.380 1.00 0.45 H new ATOM 0 HA THR A 115 1.026 -0.245 -8.236 1.00 0.45 H new ATOM 0 HB THR A 115 3.814 0.018 -9.439 1.00 0.49 H new ATOM 0 HG1 THR A 115 2.931 -1.444 -11.058 1.00 0.53 H new ATOM 0 HG21 THR A 115 3.932 -2.421 -9.116 1.00 0.53 H new ATOM 0 HG22 THR A 115 3.708 -1.563 -7.573 1.00 0.53 H new ATOM 0 HG23 THR A 115 2.331 -2.392 -8.338 1.00 0.53 H new ATOM 2055 N TYR A 116 2.146 0.189 -6.085 1.00 0.41 N ATOM 2056 CA TYR A 116 2.782 0.389 -4.793 1.00 0.43 C ATOM 2057 C TYR A 116 3.587 -0.860 -4.481 1.00 0.38 C ATOM 2058 O TYR A 116 3.252 -1.935 -4.979 1.00 0.39 O ATOM 2059 CB TYR A 116 1.739 0.597 -3.695 1.00 0.54 C ATOM 2060 CG TYR A 116 0.605 1.534 -4.057 1.00 0.57 C ATOM 2061 CD1 TYR A 116 0.838 2.892 -4.224 1.00 0.79 C ATOM 2062 CD2 TYR A 116 -0.688 1.064 -4.245 1.00 0.80 C ATOM 2063 CE1 TYR A 116 -0.183 3.754 -4.565 1.00 0.87 C ATOM 2064 CE2 TYR A 116 -1.715 1.924 -4.586 1.00 0.91 C ATOM 2065 CZ TYR A 116 -1.492 3.242 -4.697 1.00 0.80 C ATOM 2066 OH TYR A 116 -2.481 4.124 -5.082 1.00 0.96 O ATOM 0 H TYR A 116 1.341 -0.437 -6.063 1.00 0.41 H new ATOM 0 HA TYR A 116 3.416 1.275 -4.831 1.00 0.43 H new ATOM 0 HB2 TYR A 116 1.318 -0.372 -3.427 1.00 0.54 H new ATOM 0 HB3 TYR A 116 2.240 0.983 -2.807 1.00 0.54 H new ATOM 0 HD1 TYR A 116 1.836 3.280 -4.084 1.00 0.79 H new ATOM 0 HD2 TYR A 116 -0.894 0.011 -4.123 1.00 0.80 H new ATOM 0 HE1 TYR A 116 0.015 4.803 -4.728 1.00 0.87 H new ATOM 0 HE2 TYR A 116 -2.705 1.531 -4.765 1.00 0.91 H new ATOM 0 HH TYR A 116 -2.110 4.778 -5.710 1.00 0.96 H new ATOM 2076 N GLU A 117 4.632 -0.767 -3.669 1.00 0.37 N ATOM 2077 CA GLU A 117 5.421 -1.937 -3.334 1.00 0.35 C ATOM 2078 C GLU A 117 5.638 -1.963 -1.823 1.00 0.34 C ATOM 2079 O GLU A 117 6.038 -0.960 -1.234 1.00 0.44 O ATOM 2080 CB GLU A 117 6.774 -1.907 -4.057 1.00 0.44 C ATOM 2081 CG GLU A 117 6.668 -1.720 -5.565 1.00 0.92 C ATOM 2082 CD GLU A 117 7.999 -1.878 -6.271 1.00 0.83 C ATOM 2083 OE1 GLU A 117 8.485 -3.022 -6.397 1.00 1.27 O ATOM 2084 OE2 GLU A 117 8.563 -0.860 -6.726 1.00 1.18 O ATOM 0 H GLU A 117 4.948 0.100 -3.235 1.00 0.37 H new ATOM 0 HA GLU A 117 4.889 -2.834 -3.653 1.00 0.35 H new ATOM 0 HB2 GLU A 117 7.378 -1.099 -3.643 1.00 0.44 H new ATOM 0 HB3 GLU A 117 7.304 -2.838 -3.853 1.00 0.44 H new ATOM 0 HG2 GLU A 117 5.960 -2.445 -5.968 1.00 0.92 H new ATOM 0 HG3 GLU A 117 6.265 -0.729 -5.776 1.00 0.92 H new ATOM 2091 N TYR A 118 5.349 -3.092 -1.201 1.00 0.29 N ATOM 2092 CA TYR A 118 5.445 -3.219 0.245 1.00 0.29 C ATOM 2093 C TYR A 118 6.609 -4.121 0.638 1.00 0.31 C ATOM 2094 O TYR A 118 6.495 -5.346 0.606 1.00 0.41 O ATOM 2095 CB TYR A 118 4.134 -3.771 0.816 1.00 0.32 C ATOM 2096 CG TYR A 118 2.931 -2.918 0.481 1.00 0.35 C ATOM 2097 CD1 TYR A 118 2.719 -1.687 1.091 1.00 0.50 C ATOM 2098 CD2 TYR A 118 1.999 -3.352 -0.449 1.00 0.47 C ATOM 2099 CE1 TYR A 118 1.622 -0.923 0.782 1.00 0.58 C ATOM 2100 CE2 TYR A 118 0.898 -2.588 -0.764 1.00 0.52 C ATOM 2101 CZ TYR A 118 0.738 -1.340 -0.120 1.00 0.50 C ATOM 2102 OH TYR A 118 -0.366 -0.607 -0.442 1.00 0.60 O ATOM 0 H TYR A 118 5.044 -3.941 -1.677 1.00 0.29 H new ATOM 0 HA TYR A 118 5.626 -2.228 0.662 1.00 0.29 H new ATOM 0 HB2 TYR A 118 3.974 -4.779 0.433 1.00 0.32 H new ATOM 0 HB3 TYR A 118 4.223 -3.852 1.899 1.00 0.32 H new ATOM 0 HD1 TYR A 118 3.429 -1.326 1.820 1.00 0.50 H new ATOM 0 HD2 TYR A 118 2.139 -4.306 -0.935 1.00 0.47 H new ATOM 0 HE1 TYR A 118 1.475 0.026 1.276 1.00 0.58 H new ATOM 0 HE2 TYR A 118 0.173 -2.934 -1.486 1.00 0.52 H new ATOM 0 HH TYR A 118 -0.777 -0.973 -1.253 1.00 0.60 H new ATOM 2112 N ARG A 119 7.727 -3.511 0.996 1.00 0.31 N ATOM 2113 CA ARG A 119 8.901 -4.269 1.403 1.00 0.35 C ATOM 2114 C ARG A 119 9.276 -3.974 2.849 1.00 0.35 C ATOM 2115 O ARG A 119 8.765 -3.034 3.459 1.00 0.42 O ATOM 2116 CB ARG A 119 10.085 -3.987 0.475 1.00 0.46 C ATOM 2117 CG ARG A 119 10.369 -2.517 0.255 1.00 1.14 C ATOM 2118 CD ARG A 119 11.604 -2.323 -0.601 1.00 1.30 C ATOM 2119 NE ARG A 119 11.551 -3.105 -1.835 1.00 1.83 N ATOM 2120 CZ ARG A 119 12.160 -2.760 -2.966 1.00 2.50 C ATOM 2121 NH1 ARG A 119 12.880 -1.647 -3.030 1.00 2.76 N ATOM 2122 NH2 ARG A 119 12.062 -3.542 -4.029 1.00 3.41 N ATOM 0 H ARG A 119 7.847 -2.498 1.014 1.00 0.31 H new ATOM 0 HA ARG A 119 8.650 -5.327 1.328 1.00 0.35 H new ATOM 0 HB2 ARG A 119 10.976 -4.459 0.889 1.00 0.46 H new ATOM 0 HB3 ARG A 119 9.895 -4.456 -0.490 1.00 0.46 H new ATOM 0 HG2 ARG A 119 9.512 -2.046 -0.226 1.00 1.14 H new ATOM 0 HG3 ARG A 119 10.507 -2.022 1.216 1.00 1.14 H new ATOM 0 HD2 ARG A 119 11.711 -1.267 -0.847 1.00 1.30 H new ATOM 0 HD3 ARG A 119 12.488 -2.608 -0.030 1.00 1.30 H new ATOM 0 HE ARG A 119 11.012 -3.971 -1.828 1.00 1.83 H new ATOM 0 HH11 ARG A 119 12.969 -1.049 -2.208 1.00 2.76 H new ATOM 0 HH12 ARG A 119 13.344 -1.389 -3.901 1.00 2.76 H new ATOM 0 HH21 ARG A 119 11.521 -4.405 -3.979 1.00 3.41 H new ATOM 0 HH22 ARG A 119 12.527 -3.281 -4.898 1.00 3.41 H new ATOM 2136 N ARG A 120 10.158 -4.791 3.400 1.00 0.36 N ATOM 2137 CA ARG A 120 10.607 -4.619 4.772 1.00 0.41 C ATOM 2138 C ARG A 120 12.116 -4.447 4.825 1.00 0.46 C ATOM 2139 O ARG A 120 12.865 -5.323 4.398 1.00 0.63 O ATOM 2140 CB ARG A 120 10.196 -5.818 5.636 1.00 0.49 C ATOM 2141 CG ARG A 120 8.701 -5.912 5.895 1.00 1.06 C ATOM 2142 CD ARG A 120 8.225 -4.858 6.887 1.00 0.97 C ATOM 2143 NE ARG A 120 8.814 -5.043 8.219 1.00 1.27 N ATOM 2144 CZ ARG A 120 8.103 -5.172 9.344 1.00 1.56 C ATOM 2145 NH1 ARG A 120 6.778 -5.159 9.310 1.00 1.62 N ATOM 2146 NH2 ARG A 120 8.723 -5.326 10.506 1.00 1.96 N ATOM 0 H ARG A 120 10.579 -5.584 2.916 1.00 0.36 H new ATOM 0 HA ARG A 120 10.132 -3.721 5.167 1.00 0.41 H new ATOM 0 HB2 ARG A 120 10.528 -6.735 5.148 1.00 0.49 H new ATOM 0 HB3 ARG A 120 10.717 -5.759 6.592 1.00 0.49 H new ATOM 0 HG2 ARG A 120 8.162 -5.794 4.955 1.00 1.06 H new ATOM 0 HG3 ARG A 120 8.461 -6.904 6.278 1.00 1.06 H new ATOM 0 HD2 ARG A 120 8.482 -3.867 6.513 1.00 0.97 H new ATOM 0 HD3 ARG A 120 7.138 -4.898 6.963 1.00 0.97 H new ATOM 0 HE ARG A 120 9.831 -5.075 8.291 1.00 1.27 H new ATOM 0 HH11 ARG A 120 6.292 -5.050 8.420 1.00 1.62 H new ATOM 0 HH12 ARG A 120 6.245 -5.258 10.174 1.00 1.62 H new ATOM 0 HH21 ARG A 120 9.742 -5.346 10.542 1.00 1.96 H new ATOM 0 HH22 ARG A 120 8.181 -5.424 11.364 1.00 1.96 H new ATOM 2160 N ASP A 121 12.553 -3.307 5.334 1.00 0.49 N ATOM 2161 CA ASP A 121 13.976 -3.059 5.534 1.00 0.59 C ATOM 2162 C ASP A 121 14.324 -3.247 7.007 1.00 0.66 C ATOM 2163 O ASP A 121 15.494 -3.314 7.392 1.00 1.08 O ATOM 2164 CB ASP A 121 14.345 -1.647 5.075 1.00 0.67 C ATOM 2165 CG ASP A 121 15.839 -1.394 5.118 1.00 0.82 C ATOM 2166 OD1 ASP A 121 16.567 -1.929 4.254 1.00 0.96 O ATOM 2167 OD2 ASP A 121 16.295 -0.654 6.018 1.00 0.88 O ATOM 0 H ASP A 121 11.946 -2.538 5.617 1.00 0.49 H new ATOM 0 HA ASP A 121 14.548 -3.770 4.937 1.00 0.59 H new ATOM 0 HB2 ASP A 121 13.983 -1.493 4.059 1.00 0.67 H new ATOM 0 HB3 ASP A 121 13.838 -0.919 5.708 1.00 0.67 H new ATOM 2172 N GLY A 122 13.287 -3.353 7.820 1.00 0.73 N ATOM 2173 CA GLY A 122 13.462 -3.536 9.245 1.00 0.83 C ATOM 2174 C GLY A 122 12.128 -3.632 9.948 1.00 0.78 C ATOM 2175 O GLY A 122 11.241 -4.357 9.496 1.00 0.92 O ATOM 0 H GLY A 122 12.315 -3.315 7.514 1.00 0.73 H new ATOM 0 HA2 GLY A 122 14.040 -4.441 9.430 1.00 0.83 H new ATOM 0 HA3 GLY A 122 14.033 -2.703 9.654 1.00 0.83 H new ATOM 2179 N ASP A 123 11.967 -2.874 11.023 1.00 0.70 N ATOM 2180 CA ASP A 123 10.713 -2.863 11.774 1.00 0.78 C ATOM 2181 C ASP A 123 9.750 -1.832 11.209 1.00 0.64 C ATOM 2182 O ASP A 123 8.859 -1.346 11.906 1.00 0.75 O ATOM 2183 CB ASP A 123 10.963 -2.575 13.253 1.00 0.98 C ATOM 2184 CG ASP A 123 11.485 -3.782 13.996 1.00 1.67 C ATOM 2185 OD1 ASP A 123 10.706 -4.735 14.205 1.00 2.17 O ATOM 2186 OD2 ASP A 123 12.671 -3.783 14.383 1.00 2.31 O ATOM 0 H ASP A 123 12.688 -2.257 11.398 1.00 0.70 H new ATOM 0 HA ASP A 123 10.266 -3.853 11.679 1.00 0.78 H new ATOM 0 HB2 ASP A 123 11.679 -1.758 13.345 1.00 0.98 H new ATOM 0 HB3 ASP A 123 10.035 -2.240 13.717 1.00 0.98 H new ATOM 2191 N TYR A 124 9.931 -1.503 9.944 1.00 0.48 N ATOM 2192 CA TYR A 124 9.103 -0.524 9.280 1.00 0.36 C ATOM 2193 C TYR A 124 8.585 -1.105 7.990 1.00 0.33 C ATOM 2194 O TYR A 124 9.319 -1.795 7.277 1.00 0.39 O ATOM 2195 CB TYR A 124 9.900 0.749 8.980 1.00 0.32 C ATOM 2196 CG TYR A 124 10.377 1.468 10.216 1.00 0.37 C ATOM 2197 CD1 TYR A 124 11.522 1.060 10.879 1.00 0.46 C ATOM 2198 CD2 TYR A 124 9.691 2.566 10.705 1.00 0.49 C ATOM 2199 CE1 TYR A 124 11.975 1.726 12.002 1.00 0.53 C ATOM 2200 CE2 TYR A 124 10.129 3.239 11.823 1.00 0.58 C ATOM 2201 CZ TYR A 124 11.239 2.766 12.513 1.00 0.56 C ATOM 2202 OH TYR A 124 11.710 3.491 13.591 1.00 0.67 O ATOM 0 H TYR A 124 10.656 -1.908 9.352 1.00 0.48 H new ATOM 0 HA TYR A 124 8.272 -0.266 9.936 1.00 0.36 H new ATOM 0 HB2 TYR A 124 10.762 0.491 8.364 1.00 0.32 H new ATOM 0 HB3 TYR A 124 9.280 1.426 8.393 1.00 0.32 H new ATOM 0 HD1 TYR A 124 12.071 0.206 10.512 1.00 0.46 H new ATOM 0 HD2 TYR A 124 8.797 2.901 10.201 1.00 0.49 H new ATOM 0 HE1 TYR A 124 12.901 1.431 12.474 1.00 0.53 H new ATOM 0 HE2 TYR A 124 9.615 4.127 12.161 1.00 0.58 H new ATOM 0 HH TYR A 124 11.064 4.191 13.822 1.00 0.67 H new ATOM 2212 N LEU A 125 7.325 -0.858 7.704 1.00 0.30 N ATOM 2213 CA LEU A 125 6.773 -1.209 6.426 1.00 0.30 C ATOM 2214 C LEU A 125 7.268 -0.178 5.428 1.00 0.27 C ATOM 2215 O LEU A 125 6.783 0.954 5.392 1.00 0.31 O ATOM 2216 CB LEU A 125 5.231 -1.243 6.518 1.00 0.36 C ATOM 2217 CG LEU A 125 4.447 -1.734 5.283 1.00 0.44 C ATOM 2218 CD1 LEU A 125 4.124 -0.589 4.326 1.00 1.03 C ATOM 2219 CD2 LEU A 125 5.209 -2.834 4.560 1.00 0.88 C ATOM 0 H LEU A 125 6.667 -0.414 8.345 1.00 0.30 H new ATOM 0 HA LEU A 125 7.089 -2.201 6.104 1.00 0.30 H new ATOM 0 HB2 LEU A 125 4.960 -1.878 7.361 1.00 0.36 H new ATOM 0 HB3 LEU A 125 4.887 -0.236 6.754 1.00 0.36 H new ATOM 0 HG LEU A 125 3.502 -2.143 5.641 1.00 0.44 H new ATOM 0 HD11 LEU A 125 3.572 -0.976 3.469 1.00 1.03 H new ATOM 0 HD12 LEU A 125 3.519 0.156 4.842 1.00 1.03 H new ATOM 0 HD13 LEU A 125 5.051 -0.129 3.983 1.00 1.03 H new ATOM 0 HD21 LEU A 125 4.636 -3.164 3.693 1.00 0.88 H new ATOM 0 HD22 LEU A 125 6.176 -2.452 4.232 1.00 0.88 H new ATOM 0 HD23 LEU A 125 5.362 -3.676 5.236 1.00 0.88 H new ATOM 2231 N VAL A 126 8.256 -0.558 4.641 1.00 0.29 N ATOM 2232 CA VAL A 126 8.890 0.389 3.758 1.00 0.34 C ATOM 2233 C VAL A 126 8.237 0.293 2.404 1.00 0.36 C ATOM 2234 O VAL A 126 8.453 -0.652 1.646 1.00 0.43 O ATOM 2235 CB VAL A 126 10.409 0.193 3.625 1.00 0.41 C ATOM 2236 CG1 VAL A 126 11.014 1.364 2.861 1.00 0.46 C ATOM 2237 CG2 VAL A 126 11.056 0.048 4.995 1.00 0.47 C ATOM 0 H VAL A 126 8.631 -1.506 4.598 1.00 0.29 H new ATOM 0 HA VAL A 126 8.756 1.379 4.193 1.00 0.34 H new ATOM 0 HB VAL A 126 10.599 -0.725 3.069 1.00 0.41 H new ATOM 0 HG11 VAL A 126 12.091 1.221 2.769 1.00 0.46 H new ATOM 0 HG12 VAL A 126 10.569 1.419 1.867 1.00 0.46 H new ATOM 0 HG13 VAL A 126 10.816 2.291 3.399 1.00 0.46 H new ATOM 0 HG21 VAL A 126 12.131 -0.090 4.877 1.00 0.47 H new ATOM 0 HG22 VAL A 126 10.868 0.946 5.583 1.00 0.47 H new ATOM 0 HG23 VAL A 126 10.634 -0.816 5.507 1.00 0.47 H new ATOM 2247 N MET A 127 7.414 1.264 2.131 1.00 0.38 N ATOM 2248 CA MET A 127 6.597 1.249 0.952 1.00 0.46 C ATOM 2249 C MET A 127 7.279 2.031 -0.155 1.00 0.33 C ATOM 2250 O MET A 127 7.896 3.062 0.093 1.00 0.33 O ATOM 2251 CB MET A 127 5.241 1.836 1.303 1.00 0.65 C ATOM 2252 CG MET A 127 4.248 1.823 0.173 1.00 0.87 C ATOM 2253 SD MET A 127 2.639 2.389 0.714 1.00 1.08 S ATOM 2254 CE MET A 127 1.740 2.234 -0.809 1.00 0.66 C ATOM 0 H MET A 127 7.290 2.088 2.719 1.00 0.38 H new ATOM 0 HA MET A 127 6.456 0.230 0.591 1.00 0.46 H new ATOM 0 HB2 MET A 127 4.824 1.280 2.143 1.00 0.65 H new ATOM 0 HB3 MET A 127 5.379 2.864 1.638 1.00 0.65 H new ATOM 0 HG2 MET A 127 4.606 2.459 -0.636 1.00 0.87 H new ATOM 0 HG3 MET A 127 4.164 0.813 -0.229 1.00 0.87 H new ATOM 0 HE1 MET A 127 0.779 2.740 -0.717 1.00 0.66 H new ATOM 0 HE2 MET A 127 2.313 2.687 -1.618 1.00 0.66 H new ATOM 0 HE3 MET A 127 1.575 1.179 -1.028 1.00 0.66 H new ATOM 2264 N LYS A 128 7.183 1.534 -1.368 1.00 0.33 N ATOM 2265 CA LYS A 128 7.861 2.155 -2.487 1.00 0.35 C ATOM 2266 C LYS A 128 6.871 2.450 -3.596 1.00 0.35 C ATOM 2267 O LYS A 128 5.997 1.639 -3.895 1.00 0.44 O ATOM 2268 CB LYS A 128 8.991 1.260 -3.002 1.00 0.55 C ATOM 2269 CG LYS A 128 9.644 1.785 -4.267 1.00 0.82 C ATOM 2270 CD LYS A 128 10.690 0.824 -4.800 1.00 0.99 C ATOM 2271 CE LYS A 128 11.148 1.228 -6.190 1.00 1.42 C ATOM 2272 NZ LYS A 128 10.016 1.260 -7.151 1.00 2.20 N ATOM 0 H LYS A 128 6.643 0.702 -1.606 1.00 0.33 H new ATOM 0 HA LYS A 128 8.300 3.093 -2.148 1.00 0.35 H new ATOM 0 HB2 LYS A 128 9.749 1.160 -2.225 1.00 0.55 H new ATOM 0 HB3 LYS A 128 8.596 0.262 -3.193 1.00 0.55 H new ATOM 0 HG2 LYS A 128 8.881 1.951 -5.028 1.00 0.82 H new ATOM 0 HG3 LYS A 128 10.107 2.751 -4.064 1.00 0.82 H new ATOM 0 HD2 LYS A 128 11.545 0.802 -4.124 1.00 0.99 H new ATOM 0 HD3 LYS A 128 10.280 -0.185 -4.828 1.00 0.99 H new ATOM 0 HE2 LYS A 128 11.618 2.211 -6.148 1.00 1.42 H new ATOM 0 HE3 LYS A 128 11.905 0.528 -6.542 1.00 1.42 H new ATOM 0 HZ1 LYS A 128 10.343 0.934 -8.083 1.00 2.20 H new ATOM 0 HZ2 LYS A 128 9.256 0.636 -6.813 1.00 2.20 H new ATOM 0 HZ3 LYS A 128 9.656 2.232 -7.231 1.00 2.20 H new ATOM 2286 N MET A 129 6.995 3.628 -4.175 1.00 0.36 N ATOM 2287 CA MET A 129 6.126 4.055 -5.258 1.00 0.41 C ATOM 2288 C MET A 129 6.976 4.734 -6.319 1.00 0.35 C ATOM 2289 O MET A 129 7.794 5.587 -5.993 1.00 0.40 O ATOM 2290 CB MET A 129 5.074 5.032 -4.720 1.00 0.49 C ATOM 2291 CG MET A 129 4.370 4.536 -3.465 1.00 1.02 C ATOM 2292 SD MET A 129 3.472 5.840 -2.606 1.00 1.11 S ATOM 2293 CE MET A 129 2.289 6.313 -3.858 1.00 0.50 C ATOM 0 H MET A 129 7.699 4.316 -3.910 1.00 0.36 H new ATOM 0 HA MET A 129 5.613 3.196 -5.691 1.00 0.41 H new ATOM 0 HB2 MET A 129 5.553 5.987 -4.505 1.00 0.49 H new ATOM 0 HB3 MET A 129 4.330 5.216 -5.495 1.00 0.49 H new ATOM 0 HG2 MET A 129 3.676 3.740 -3.734 1.00 1.02 H new ATOM 0 HG3 MET A 129 5.106 4.102 -2.789 1.00 1.02 H new ATOM 0 HE1 MET A 129 2.266 7.399 -3.945 1.00 0.50 H new ATOM 0 HE2 MET A 129 2.579 5.879 -4.815 1.00 0.50 H new ATOM 0 HE3 MET A 129 1.300 5.950 -3.579 1.00 0.50 H new ATOM 2303 N SER A 130 6.816 4.352 -7.575 1.00 0.34 N ATOM 2304 CA SER A 130 7.642 4.919 -8.631 1.00 0.33 C ATOM 2305 C SER A 130 6.854 5.146 -9.909 1.00 0.33 C ATOM 2306 O SER A 130 6.111 4.272 -10.361 1.00 0.38 O ATOM 2307 CB SER A 130 8.841 4.013 -8.894 1.00 0.39 C ATOM 2308 OG SER A 130 8.449 2.651 -8.965 1.00 1.06 O ATOM 0 H SER A 130 6.133 3.662 -7.887 1.00 0.34 H new ATOM 0 HA SER A 130 7.993 5.894 -8.294 1.00 0.33 H new ATOM 0 HB2 SER A 130 9.323 4.305 -9.827 1.00 0.39 H new ATOM 0 HB3 SER A 130 9.578 4.141 -8.101 1.00 0.39 H new ATOM 0 HG SER A 130 9.050 2.169 -9.570 1.00 1.06 H new ATOM 2314 N TRP A 131 7.009 6.335 -10.471 1.00 0.32 N ATOM 2315 CA TRP A 131 6.367 6.682 -11.726 1.00 0.34 C ATOM 2316 C TRP A 131 7.243 7.639 -12.513 1.00 0.34 C ATOM 2317 O TRP A 131 7.751 8.619 -11.967 1.00 0.33 O ATOM 2318 CB TRP A 131 4.995 7.307 -11.474 1.00 0.36 C ATOM 2319 CG TRP A 131 4.145 7.377 -12.702 1.00 0.39 C ATOM 2320 CD1 TRP A 131 3.841 8.488 -13.432 1.00 0.46 C ATOM 2321 CD2 TRP A 131 3.493 6.280 -13.349 1.00 0.47 C ATOM 2322 NE1 TRP A 131 3.035 8.149 -14.492 1.00 0.52 N ATOM 2323 CE2 TRP A 131 2.811 6.798 -14.464 1.00 0.54 C ATOM 2324 CE3 TRP A 131 3.423 4.910 -13.090 1.00 0.58 C ATOM 2325 CZ2 TRP A 131 2.069 5.990 -15.319 1.00 0.66 C ATOM 2326 CZ3 TRP A 131 2.686 4.111 -13.938 1.00 0.73 C ATOM 2327 CH2 TRP A 131 2.017 4.652 -15.043 1.00 0.76 C ATOM 0 H TRP A 131 7.579 7.081 -10.072 1.00 0.32 H new ATOM 0 HA TRP A 131 6.228 5.771 -12.307 1.00 0.34 H new ATOM 0 HB2 TRP A 131 4.474 6.728 -10.712 1.00 0.36 H new ATOM 0 HB3 TRP A 131 5.129 8.312 -11.075 1.00 0.36 H new ATOM 0 HD1 TRP A 131 4.184 9.488 -13.210 1.00 0.46 H new ATOM 0 HE1 TRP A 131 2.664 8.798 -15.186 1.00 0.52 H new ATOM 0 HE3 TRP A 131 3.937 4.484 -12.241 1.00 0.58 H new ATOM 0 HZ2 TRP A 131 1.552 6.405 -16.171 1.00 0.66 H new ATOM 0 HZ3 TRP A 131 2.624 3.050 -13.747 1.00 0.73 H new ATOM 0 HH2 TRP A 131 1.449 4.000 -15.690 1.00 0.76 H new ATOM 2338 N LYS A 132 7.413 7.341 -13.796 1.00 0.37 N ATOM 2339 CA LYS A 132 8.257 8.131 -14.686 1.00 0.40 C ATOM 2340 C LYS A 132 9.667 8.290 -14.128 1.00 0.39 C ATOM 2341 O LYS A 132 10.289 9.344 -14.271 1.00 0.42 O ATOM 2342 CB LYS A 132 7.632 9.500 -14.964 1.00 0.44 C ATOM 2343 CG LYS A 132 6.338 9.419 -15.752 1.00 0.68 C ATOM 2344 CD LYS A 132 5.776 10.798 -16.055 1.00 1.22 C ATOM 2345 CE LYS A 132 4.553 10.710 -16.952 1.00 1.43 C ATOM 2346 NZ LYS A 132 4.870 10.074 -18.257 1.00 1.96 N ATOM 0 H LYS A 132 6.969 6.543 -14.250 1.00 0.37 H new ATOM 0 HA LYS A 132 8.331 7.588 -15.628 1.00 0.40 H new ATOM 0 HB2 LYS A 132 7.442 10.004 -14.017 1.00 0.44 H new ATOM 0 HB3 LYS A 132 8.346 10.113 -15.513 1.00 0.44 H new ATOM 0 HG2 LYS A 132 6.514 8.885 -16.686 1.00 0.68 H new ATOM 0 HG3 LYS A 132 5.604 8.843 -15.188 1.00 0.68 H new ATOM 0 HD2 LYS A 132 5.511 11.298 -15.123 1.00 1.22 H new ATOM 0 HD3 LYS A 132 6.541 11.407 -16.537 1.00 1.22 H new ATOM 0 HE2 LYS A 132 3.774 10.138 -16.449 1.00 1.43 H new ATOM 0 HE3 LYS A 132 4.155 11.710 -17.122 1.00 1.43 H new ATOM 0 HZ1 LYS A 132 4.122 10.299 -18.944 1.00 1.96 H new ATOM 0 HZ2 LYS A 132 5.781 10.434 -18.607 1.00 1.96 H new ATOM 0 HZ3 LYS A 132 4.930 9.043 -18.135 1.00 1.96 H new ATOM 2360 N GLY A 133 10.166 7.235 -13.502 1.00 0.40 N ATOM 2361 CA GLY A 133 11.495 7.265 -12.920 1.00 0.42 C ATOM 2362 C GLY A 133 11.517 7.839 -11.518 1.00 0.40 C ATOM 2363 O GLY A 133 12.379 7.486 -10.712 1.00 0.53 O ATOM 0 H GLY A 133 9.671 6.351 -13.385 1.00 0.40 H new ATOM 0 HA2 GLY A 133 11.898 6.253 -12.898 1.00 0.42 H new ATOM 0 HA3 GLY A 133 12.152 7.856 -13.559 1.00 0.42 H new ATOM 2367 N VAL A 134 10.570 8.719 -11.219 1.00 0.35 N ATOM 2368 CA VAL A 134 10.515 9.367 -9.919 1.00 0.34 C ATOM 2369 C VAL A 134 9.956 8.404 -8.879 1.00 0.36 C ATOM 2370 O VAL A 134 8.769 8.071 -8.897 1.00 0.40 O ATOM 2371 CB VAL A 134 9.647 10.648 -9.953 1.00 0.38 C ATOM 2372 CG1 VAL A 134 9.798 11.441 -8.662 1.00 0.38 C ATOM 2373 CG2 VAL A 134 10.009 11.507 -11.153 1.00 0.43 C ATOM 0 H VAL A 134 9.829 8.999 -11.862 1.00 0.35 H new ATOM 0 HA VAL A 134 11.532 9.653 -9.652 1.00 0.34 H new ATOM 0 HB VAL A 134 8.603 10.348 -10.046 1.00 0.38 H new ATOM 0 HG11 VAL A 134 9.178 12.336 -8.710 1.00 0.38 H new ATOM 0 HG12 VAL A 134 9.483 10.827 -7.819 1.00 0.38 H new ATOM 0 HG13 VAL A 134 10.841 11.728 -8.531 1.00 0.38 H new ATOM 0 HG21 VAL A 134 9.388 12.403 -11.160 1.00 0.43 H new ATOM 0 HG22 VAL A 134 11.059 11.793 -11.092 1.00 0.43 H new ATOM 0 HG23 VAL A 134 9.840 10.942 -12.069 1.00 0.43 H new ATOM 2383 N SER A 135 10.819 7.938 -7.993 1.00 0.38 N ATOM 2384 CA SER A 135 10.404 7.011 -6.961 1.00 0.42 C ATOM 2385 C SER A 135 10.406 7.681 -5.604 1.00 0.40 C ATOM 2386 O SER A 135 11.055 8.706 -5.387 1.00 0.51 O ATOM 2387 CB SER A 135 11.303 5.775 -6.935 1.00 0.50 C ATOM 2388 OG SER A 135 10.845 4.813 -5.995 1.00 1.14 O ATOM 0 H SER A 135 11.808 8.187 -7.969 1.00 0.38 H new ATOM 0 HA SER A 135 9.388 6.693 -7.194 1.00 0.42 H new ATOM 0 HB2 SER A 135 11.335 5.327 -7.928 1.00 0.50 H new ATOM 0 HB3 SER A 135 12.322 6.071 -6.686 1.00 0.50 H new ATOM 0 HG SER A 135 11.613 4.417 -5.532 1.00 1.14 H new ATOM 2394 N THR A 136 9.667 7.082 -4.708 1.00 0.35 N ATOM 2395 CA THR A 136 9.532 7.580 -3.359 1.00 0.34 C ATOM 2396 C THR A 136 9.485 6.431 -2.362 1.00 0.31 C ATOM 2397 O THR A 136 8.907 5.375 -2.642 1.00 0.34 O ATOM 2398 CB THR A 136 8.264 8.454 -3.215 1.00 0.38 C ATOM 2399 OG1 THR A 136 8.082 8.847 -1.850 1.00 0.40 O ATOM 2400 CG2 THR A 136 7.028 7.716 -3.702 1.00 0.39 C ATOM 0 H THR A 136 9.138 6.230 -4.892 1.00 0.35 H new ATOM 0 HA THR A 136 10.405 8.196 -3.145 1.00 0.34 H new ATOM 0 HB THR A 136 8.402 9.342 -3.832 1.00 0.38 H new ATOM 0 HG1 THR A 136 8.957 8.962 -1.423 1.00 0.40 H new ATOM 0 HG21 THR A 136 6.153 8.356 -3.588 1.00 0.39 H new ATOM 0 HG22 THR A 136 7.151 7.454 -4.753 1.00 0.39 H new ATOM 0 HG23 THR A 136 6.892 6.808 -3.115 1.00 0.39 H new ATOM 2408 N SER A 137 10.119 6.626 -1.217 1.00 0.33 N ATOM 2409 CA SER A 137 10.055 5.656 -0.146 1.00 0.32 C ATOM 2410 C SER A 137 9.084 6.151 0.920 1.00 0.31 C ATOM 2411 O SER A 137 9.403 7.038 1.712 1.00 0.40 O ATOM 2412 CB SER A 137 11.444 5.419 0.452 1.00 0.39 C ATOM 2413 OG SER A 137 12.460 5.678 -0.509 1.00 0.79 O ATOM 0 H SER A 137 10.684 7.450 -1.009 1.00 0.33 H new ATOM 0 HA SER A 137 9.699 4.705 -0.541 1.00 0.32 H new ATOM 0 HB2 SER A 137 11.586 6.063 1.320 1.00 0.39 H new ATOM 0 HB3 SER A 137 11.523 4.390 0.803 1.00 0.39 H new ATOM 0 HG SER A 137 13.015 6.426 -0.205 1.00 0.79 H new ATOM 2419 N ARG A 138 7.888 5.601 0.899 1.00 0.35 N ATOM 2420 CA ARG A 138 6.843 5.977 1.830 1.00 0.44 C ATOM 2421 C ARG A 138 7.010 5.160 3.113 1.00 0.39 C ATOM 2422 O ARG A 138 6.689 3.975 3.152 1.00 0.43 O ATOM 2423 CB ARG A 138 5.480 5.716 1.176 1.00 0.63 C ATOM 2424 CG ARG A 138 4.306 6.429 1.822 1.00 1.08 C ATOM 2425 CD ARG A 138 4.317 7.920 1.541 1.00 0.88 C ATOM 2426 NE ARG A 138 3.015 8.526 1.826 1.00 0.82 N ATOM 2427 CZ ARG A 138 2.826 9.823 2.064 1.00 1.07 C ATOM 2428 NH1 ARG A 138 3.858 10.654 2.093 1.00 1.84 N ATOM 2429 NH2 ARG A 138 1.601 10.287 2.282 1.00 1.63 N ATOM 0 H ARG A 138 7.612 4.878 0.234 1.00 0.35 H new ATOM 0 HA ARG A 138 6.907 7.035 2.083 1.00 0.44 H new ATOM 0 HB2 ARG A 138 5.534 6.014 0.129 1.00 0.63 H new ATOM 0 HB3 ARG A 138 5.287 4.643 1.192 1.00 0.63 H new ATOM 0 HG2 ARG A 138 3.375 5.998 1.454 1.00 1.08 H new ATOM 0 HG3 ARG A 138 4.330 6.264 2.899 1.00 1.08 H new ATOM 0 HD2 ARG A 138 5.085 8.401 2.148 1.00 0.88 H new ATOM 0 HD3 ARG A 138 4.580 8.093 0.498 1.00 0.88 H new ATOM 0 HE ARG A 138 2.199 7.915 1.843 1.00 0.82 H new ATOM 0 HH11 ARG A 138 4.802 10.301 1.933 1.00 1.84 H new ATOM 0 HH12 ARG A 138 3.709 11.646 2.276 1.00 1.84 H new ATOM 0 HH21 ARG A 138 0.804 9.650 2.267 1.00 1.63 H new ATOM 0 HH22 ARG A 138 1.457 11.280 2.464 1.00 1.63 H new ATOM 2443 N TYR A 139 7.544 5.792 4.150 1.00 0.39 N ATOM 2444 CA TYR A 139 7.917 5.078 5.364 1.00 0.36 C ATOM 2445 C TYR A 139 6.744 4.931 6.318 1.00 0.34 C ATOM 2446 O TYR A 139 6.284 5.907 6.919 1.00 0.39 O ATOM 2447 CB TYR A 139 9.070 5.786 6.082 1.00 0.42 C ATOM 2448 CG TYR A 139 10.359 5.807 5.295 1.00 0.44 C ATOM 2449 CD1 TYR A 139 10.753 6.944 4.606 1.00 0.46 C ATOM 2450 CD2 TYR A 139 11.181 4.689 5.246 1.00 0.50 C ATOM 2451 CE1 TYR A 139 11.931 6.969 3.889 1.00 0.52 C ATOM 2452 CE2 TYR A 139 12.363 4.706 4.529 1.00 0.56 C ATOM 2453 CZ TYR A 139 12.732 5.848 3.853 1.00 0.56 C ATOM 2454 OH TYR A 139 13.906 5.872 3.138 1.00 0.64 O ATOM 0 H TYR A 139 7.728 6.795 4.175 1.00 0.39 H new ATOM 0 HA TYR A 139 8.238 4.082 5.057 1.00 0.36 H new ATOM 0 HB2 TYR A 139 8.773 6.811 6.302 1.00 0.42 H new ATOM 0 HB3 TYR A 139 9.247 5.293 7.038 1.00 0.42 H new ATOM 0 HD1 TYR A 139 10.127 7.824 4.631 1.00 0.46 H new ATOM 0 HD2 TYR A 139 10.893 3.793 5.776 1.00 0.50 H new ATOM 0 HE1 TYR A 139 12.224 7.863 3.358 1.00 0.52 H new ATOM 0 HE2 TYR A 139 12.993 3.829 4.499 1.00 0.56 H new ATOM 0 HH TYR A 139 14.354 5.004 3.215 1.00 0.64 H new ATOM 2464 N TYR A 140 6.269 3.707 6.458 1.00 0.29 N ATOM 2465 CA TYR A 140 5.238 3.393 7.428 1.00 0.27 C ATOM 2466 C TYR A 140 5.839 2.635 8.595 1.00 0.29 C ATOM 2467 O TYR A 140 6.529 1.635 8.411 1.00 0.37 O ATOM 2468 CB TYR A 140 4.120 2.570 6.785 1.00 0.27 C ATOM 2469 CG TYR A 140 3.285 3.361 5.813 1.00 0.30 C ATOM 2470 CD1 TYR A 140 2.139 4.016 6.236 1.00 0.39 C ATOM 2471 CD2 TYR A 140 3.647 3.466 4.476 1.00 0.45 C ATOM 2472 CE1 TYR A 140 1.378 4.760 5.359 1.00 0.48 C ATOM 2473 CE2 TYR A 140 2.886 4.204 3.592 1.00 0.52 C ATOM 2474 CZ TYR A 140 1.753 4.851 4.040 1.00 0.48 C ATOM 2475 OH TYR A 140 1.001 5.609 3.173 1.00 0.60 O ATOM 0 H TYR A 140 6.584 2.909 5.907 1.00 0.29 H new ATOM 0 HA TYR A 140 4.810 4.327 7.791 1.00 0.27 H new ATOM 0 HB2 TYR A 140 4.558 1.716 6.267 1.00 0.27 H new ATOM 0 HB3 TYR A 140 3.475 2.171 7.568 1.00 0.27 H new ATOM 0 HD1 TYR A 140 1.837 3.942 7.270 1.00 0.39 H new ATOM 0 HD2 TYR A 140 4.536 2.964 4.124 1.00 0.45 H new ATOM 0 HE1 TYR A 140 0.491 5.269 5.707 1.00 0.48 H new ATOM 0 HE2 TYR A 140 3.176 4.275 2.554 1.00 0.52 H new ATOM 0 HH TYR A 140 1.018 5.200 2.282 1.00 0.60 H new ATOM 2485 N LYS A 141 5.588 3.111 9.795 1.00 0.37 N ATOM 2486 CA LYS A 141 6.084 2.454 10.979 1.00 0.48 C ATOM 2487 C LYS A 141 4.909 1.808 11.685 1.00 0.45 C ATOM 2488 O LYS A 141 3.787 2.173 11.417 1.00 0.54 O ATOM 2489 CB LYS A 141 6.810 3.460 11.871 1.00 0.69 C ATOM 2490 CG LYS A 141 5.915 4.458 12.580 1.00 0.72 C ATOM 2491 CD LYS A 141 5.675 4.063 14.025 1.00 0.97 C ATOM 2492 CE LYS A 141 6.979 3.868 14.773 1.00 1.45 C ATOM 2493 NZ LYS A 141 6.757 3.618 16.218 1.00 1.92 N ATOM 0 H LYS A 141 5.041 3.953 9.974 1.00 0.37 H new ATOM 0 HA LYS A 141 6.808 1.681 10.722 1.00 0.48 H new ATOM 0 HB2 LYS A 141 7.381 2.911 12.620 1.00 0.69 H new ATOM 0 HB3 LYS A 141 7.528 4.009 11.262 1.00 0.69 H new ATOM 0 HG2 LYS A 141 6.371 5.447 12.543 1.00 0.72 H new ATOM 0 HG3 LYS A 141 4.961 4.527 12.058 1.00 0.72 H new ATOM 0 HD2 LYS A 141 5.082 4.833 14.520 1.00 0.97 H new ATOM 0 HD3 LYS A 141 5.094 3.142 14.059 1.00 0.97 H new ATOM 0 HE2 LYS A 141 7.524 3.030 14.339 1.00 1.45 H new ATOM 0 HE3 LYS A 141 7.604 4.753 14.650 1.00 1.45 H new ATOM 0 HZ1 LYS A 141 7.673 3.490 16.693 1.00 1.92 H new ATOM 0 HZ2 LYS A 141 6.259 4.429 16.638 1.00 1.92 H new ATOM 0 HZ3 LYS A 141 6.182 2.759 16.338 1.00 1.92 H new ATOM 2507 N LYS A 142 5.162 0.821 12.522 1.00 0.44 N ATOM 2508 CA LYS A 142 4.098 0.102 13.234 1.00 0.43 C ATOM 2509 C LYS A 142 3.063 1.045 13.889 1.00 0.36 C ATOM 2510 O LYS A 142 3.240 2.258 13.953 1.00 0.34 O ATOM 2511 CB LYS A 142 4.743 -0.793 14.298 1.00 0.54 C ATOM 2512 CG LYS A 142 3.853 -1.914 14.810 1.00 0.87 C ATOM 2513 CD LYS A 142 4.611 -2.821 15.767 1.00 1.30 C ATOM 2514 CE LYS A 142 3.768 -4.005 16.211 1.00 1.43 C ATOM 2515 NZ LYS A 142 4.525 -4.915 17.113 1.00 2.13 N ATOM 0 H LYS A 142 6.103 0.488 12.734 1.00 0.44 H new ATOM 0 HA LYS A 142 3.549 -0.493 12.504 1.00 0.43 H new ATOM 0 HB2 LYS A 142 5.652 -1.230 13.884 1.00 0.54 H new ATOM 0 HB3 LYS A 142 5.044 -0.172 15.142 1.00 0.54 H new ATOM 0 HG2 LYS A 142 2.985 -1.491 15.316 1.00 0.87 H new ATOM 0 HG3 LYS A 142 3.479 -2.498 13.969 1.00 0.87 H new ATOM 0 HD2 LYS A 142 5.518 -3.182 15.283 1.00 1.30 H new ATOM 0 HD3 LYS A 142 4.922 -2.248 16.641 1.00 1.30 H new ATOM 0 HE2 LYS A 142 2.876 -3.644 16.724 1.00 1.43 H new ATOM 0 HE3 LYS A 142 3.430 -4.559 15.335 1.00 1.43 H new ATOM 0 HZ1 LYS A 142 3.917 -5.710 17.394 1.00 2.13 H new ATOM 0 HZ2 LYS A 142 5.363 -5.279 16.616 1.00 2.13 H new ATOM 0 HZ3 LYS A 142 4.826 -4.393 17.960 1.00 2.13 H new ATOM 2529 N GLN A 143 1.908 0.501 14.226 1.00 0.44 N ATOM 2530 CA GLN A 143 1.049 1.119 15.222 1.00 0.53 C ATOM 2531 C GLN A 143 1.324 0.526 16.596 1.00 0.68 C ATOM 2532 O GLN A 143 2.068 1.152 17.375 1.00 1.46 O ATOM 2533 CB GLN A 143 -0.422 0.937 14.849 1.00 0.55 C ATOM 2534 CG GLN A 143 -1.017 2.142 14.146 1.00 0.63 C ATOM 2535 CD GLN A 143 -1.200 3.322 15.080 1.00 0.80 C ATOM 2536 OE1 GLN A 143 -0.164 4.129 15.222 1.00 1.34 O flip ATOM 2537 NE2 GLN A 143 -2.257 3.497 15.685 1.00 1.28 N flip ATOM 2538 OXT GLN A 143 0.808 -0.572 16.886 1.00 1.19 O ATOM 0 H GLN A 143 1.543 -0.364 13.827 1.00 0.44 H new ATOM 0 HA GLN A 143 1.267 2.187 15.252 1.00 0.53 H new ATOM 0 HB2 GLN A 143 -0.521 0.064 14.204 1.00 0.55 H new ATOM 0 HB3 GLN A 143 -0.996 0.732 15.753 1.00 0.55 H new ATOM 0 HG2 GLN A 143 -0.370 2.433 13.319 1.00 0.63 H new ATOM 0 HG3 GLN A 143 -1.981 1.869 13.716 1.00 0.63 H new ATOM 0 HE21 GLN A 143 -3.035 2.852 15.549 1.00 1.28 H new ATOM 0 HE22 GLN A 143 -2.355 4.287 16.322 1.00 1.28 H new TER 2547 GLN A 143 HETATM 2548 C1 OLA A1001 0.224 5.204 -0.025 1.00 0.86 C HETATM 2549 O1 OLA A1001 1.272 5.256 0.646 1.00 1.40 O HETATM 2550 O2 OLA A1001 -0.696 4.397 0.218 1.00 1.48 O HETATM 2551 C2 OLA A1001 0.059 6.152 -1.196 1.00 0.78 C HETATM 2552 C3 OLA A1001 0.125 7.617 -0.789 1.00 1.13 C HETATM 2553 C4 OLA A1001 -0.862 7.951 0.316 1.00 1.05 C HETATM 2554 C5 OLA A1001 -2.268 7.488 -0.025 1.00 1.15 C HETATM 2555 C6 OLA A1001 -3.265 7.928 1.029 1.00 1.18 C HETATM 2556 C7 OLA A1001 -3.600 9.405 0.905 1.00 1.02 C HETATM 2557 C8 OLA A1001 -4.473 9.656 -0.310 1.00 0.99 C HETATM 2558 C9 OLA A1001 -4.853 11.077 -0.555 1.00 0.72 C HETATM 2559 C10 OLA A1001 -5.802 11.454 -1.358 1.00 0.75 C HETATM 2560 C11 OLA A1001 -6.674 10.521 -2.141 1.00 0.92 C HETATM 2561 C12 OLA A1001 -7.076 11.016 -3.518 1.00 0.77 C HETATM 2562 C13 OLA A1001 -5.896 11.035 -4.486 1.00 0.76 C HETATM 2563 C14 OLA A1001 -5.618 9.661 -5.095 1.00 0.88 C HETATM 2564 C15 OLA A1001 -4.580 8.850 -4.322 1.00 0.70 C HETATM 2565 C16 OLA A1001 -3.224 9.542 -4.288 1.00 0.59 C HETATM 2566 C17 OLA A1001 -2.095 8.539 -4.125 1.00 0.57 C HETATM 2567 C18 OLA A1001 -0.732 9.180 -4.025 1.00 0.40 C HETATM 0 H183 OLA A1001 -0.532 9.753 -4.931 1.00 0.40 H new HETATM 0 H182 OLA A1001 -0.705 9.845 -3.162 1.00 0.40 H new HETATM 0 H181 OLA A1001 0.027 8.406 -3.910 1.00 0.40 H new HETATM 0 H172 OLA A1001 -2.275 7.944 -3.230 1.00 0.57 H new HETATM 0 H171 OLA A1001 -2.104 7.852 -4.972 1.00 0.57 H new HETATM 0 H162 OLA A1001 -3.080 10.109 -5.208 1.00 0.59 H new HETATM 0 H161 OLA A1001 -3.199 10.257 -3.466 1.00 0.59 H new HETATM 0 H152 OLA A1001 -4.931 8.690 -3.302 1.00 0.70 H new HETATM 0 H151 OLA A1001 -4.474 7.867 -4.780 1.00 0.70 H new HETATM 0 H142 OLA A1001 -6.549 9.097 -5.138 1.00 0.88 H new HETATM 0 H141 OLA A1001 -5.275 9.790 -6.122 1.00 0.88 H new HETATM 0 H132 OLA A1001 -6.097 11.749 -5.285 1.00 0.76 H new HETATM 0 H131 OLA A1001 -5.006 11.384 -3.962 1.00 0.76 H new HETATM 0 H122 OLA A1001 -7.863 10.376 -3.918 1.00 0.77 H new HETATM 0 H121 OLA A1001 -7.493 12.020 -3.435 1.00 0.77 H new HETATM 0 H112 OLA A1001 -6.154 9.570 -2.252 1.00 0.92 H new HETATM 0 H111 OLA A1001 -7.578 10.324 -1.565 1.00 0.92 H new HETATM 0 HO2 OLA A1001 -1.015 4.002 -0.620 1.00 1.48 H new HETATM 0 H9 OLA A1001 -4.298 11.851 -0.025 1.00 0.72 H new HETATM 0 H82 OLA A1001 -3.952 9.282 -1.191 1.00 0.99 H new HETATM 0 H81 OLA A1001 -5.385 9.069 -0.206 1.00 0.99 H new HETATM 0 H72 OLA A1001 -4.114 9.743 1.805 1.00 1.02 H new HETATM 0 H71 OLA A1001 -2.681 9.986 0.825 1.00 1.02 H new HETATM 0 H62 OLA A1001 -4.177 7.339 0.935 1.00 1.18 H new HETATM 0 H61 OLA A1001 -2.858 7.729 2.020 1.00 1.18 H new HETATM 0 H52 OLA A1001 -2.560 7.890 -0.995 1.00 1.15 H new HETATM 0 H51 OLA A1001 -2.284 6.402 -0.112 1.00 1.15 H new HETATM 0 H42 OLA A1001 -0.540 7.481 1.245 1.00 1.05 H new HETATM 0 H41 OLA A1001 -0.865 9.027 0.487 1.00 1.05 H new HETATM 0 H32 OLA A1001 1.135 7.854 -0.455 1.00 1.13 H new HETATM 0 H31 OLA A1001 -0.079 8.243 -1.658 1.00 1.13 H new HETATM 0 H22 OLA A1001 0.837 5.950 -1.932 1.00 0.78 H new HETATM 0 H21 OLA A1001 -0.898 5.958 -1.681 1.00 0.78 H new HETATM 0 H10 OLA A1001 -5.976 12.524 -1.470 1.00 0.75 H new