USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 855 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot 180:sc= 0.0338 USER MOD Set 1.2: A 14 SER OG : rot -90:sc= 0.0317 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= -0.147 (180deg=-1.01) USER MOD Single : A 4 SER OG : rot -139:sc= 0.00295 USER MOD Single : A 5 HIS : no HD1:sc= -0.0688 X(o=-0.069,f=-0.0058) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -91:sc= 1.29 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot -96:sc= 1.11 USER MOD Single : A 37 THR OG1 : rot -140:sc= -0.655 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -31:sc= 0.523 USER MOD Single : A 46 GLN : amide:sc= -8.19! C(o=-8.2!,f=-10!) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -161:sc= 0.299 USER MOD Single : A 57 ASN : amide:sc= -0.763 K(o=-0.76,f=-2.8!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.45) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -144:sc= -0.0716 (180deg=-0.683) USER MOD Single : A 74 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-3.8!) USER MOD Single : A 82 ASN :FLIP amide:sc= -0.0241 F(o=-1.3,f=-0.024) USER MOD Single : A 85 TYR OH : rot -25:sc= 1.39 USER MOD Single : A 88 ASN : amide:sc= -0.147 K(o=-0.15,f=-1.9!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0856 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 156:sc= -0.053 (180deg=-0.291) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.495 -20.699 -1.065 1.00 41.25 N ATOM 2 CA MET A 1 -8.947 -20.806 -1.146 1.00 30.42 C ATOM 3 C MET A 1 -9.361 -21.730 -2.287 1.00 35.33 C ATOM 4 O MET A 1 -8.620 -21.911 -3.252 1.00 23.23 O ATOM 5 CB MET A 1 -9.572 -19.424 -1.341 1.00 12.21 C ATOM 6 CG MET A 1 -9.043 -18.684 -2.559 1.00 10.12 C ATOM 7 SD MET A 1 -8.845 -16.916 -2.265 1.00 45.04 S ATOM 8 CE MET A 1 -10.410 -16.294 -2.875 1.00 3.14 C ATOM 0 H1 MET A 1 -7.228 -19.704 -0.921 1.00 41.25 H new ATOM 0 H2 MET A 1 -7.149 -21.269 -0.267 1.00 41.25 H new ATOM 0 H3 MET A 1 -7.071 -21.047 -1.949 1.00 41.25 H new ATOM 0 HA MET A 1 -9.308 -21.230 -0.209 1.00 30.42 H new ATOM 0 HB2 MET A 1 -10.653 -19.533 -1.433 1.00 12.21 H new ATOM 0 HB3 MET A 1 -9.387 -18.822 -0.451 1.00 12.21 H new ATOM 0 HG2 MET A 1 -8.083 -19.110 -2.849 1.00 10.12 H new ATOM 0 HG3 MET A 1 -9.725 -18.835 -3.396 1.00 10.12 H new ATOM 0 HE1 MET A 1 -10.440 -15.210 -2.761 1.00 3.14 H new ATOM 0 HE2 MET A 1 -10.518 -16.551 -3.929 1.00 3.14 H new ATOM 0 HE3 MET A 1 -11.226 -16.741 -2.307 1.00 3.14 H new ATOM 18 N ALA A 2 -10.550 -22.312 -2.169 1.00 33.44 N ATOM 19 CA ALA A 2 -11.063 -23.216 -3.191 1.00 13.01 C ATOM 20 C ALA A 2 -10.152 -24.427 -3.361 1.00 42.41 C ATOM 21 O ALA A 2 -9.128 -24.544 -2.690 1.00 5.12 O ATOM 22 CB ALA A 2 -11.221 -22.481 -4.514 1.00 24.20 C ATOM 0 H ALA A 2 -11.176 -22.174 -1.376 1.00 33.44 H new ATOM 0 HA ALA A 2 -12.041 -23.573 -2.867 1.00 13.01 H new ATOM 0 HB1 ALA A 2 -11.605 -23.168 -5.268 1.00 24.20 H new ATOM 0 HB2 ALA A 2 -11.918 -21.653 -4.389 1.00 24.20 H new ATOM 0 HB3 ALA A 2 -10.253 -22.095 -4.834 1.00 24.20 H new ATOM 28 N GLY A 3 -10.532 -25.326 -4.264 1.00 32.15 N ATOM 29 CA GLY A 3 -9.738 -26.517 -4.505 1.00 11.44 C ATOM 30 C GLY A 3 -9.777 -26.956 -5.955 1.00 10.41 C ATOM 31 O GLY A 3 -10.497 -26.375 -6.767 1.00 71.11 O ATOM 0 H GLY A 3 -11.375 -25.251 -4.833 1.00 32.15 H new ATOM 0 HA2 GLY A 3 -8.705 -26.326 -4.214 1.00 11.44 H new ATOM 0 HA3 GLY A 3 -10.103 -27.327 -3.873 1.00 11.44 H new ATOM 35 N SER A 4 -8.999 -27.983 -6.282 1.00 12.32 N ATOM 36 CA SER A 4 -8.943 -28.496 -7.646 1.00 15.33 C ATOM 37 C SER A 4 -10.294 -29.067 -8.067 1.00 11.31 C ATOM 38 O SER A 4 -10.694 -30.141 -7.617 1.00 74.04 O ATOM 39 CB SER A 4 -7.863 -29.572 -7.765 1.00 5.34 C ATOM 40 OG SER A 4 -6.598 -29.070 -7.368 1.00 62.21 O ATOM 0 H SER A 4 -8.399 -28.476 -5.621 1.00 12.32 H new ATOM 0 HA SER A 4 -8.695 -27.668 -8.310 1.00 15.33 H new ATOM 0 HB2 SER A 4 -8.129 -30.429 -7.146 1.00 5.34 H new ATOM 0 HB3 SER A 4 -7.810 -29.927 -8.794 1.00 5.34 H new ATOM 0 HG SER A 4 -5.908 -29.403 -7.979 1.00 62.21 H new ATOM 46 N HIS A 5 -10.993 -28.340 -8.933 1.00 44.14 N ATOM 47 CA HIS A 5 -12.299 -28.773 -9.417 1.00 23.31 C ATOM 48 C HIS A 5 -12.259 -29.048 -10.917 1.00 42.12 C ATOM 49 O HIS A 5 -12.449 -30.183 -11.356 1.00 44.33 O ATOM 50 CB HIS A 5 -13.357 -27.714 -9.108 1.00 74.25 C ATOM 51 CG HIS A 5 -14.710 -28.287 -8.817 1.00 12.22 C ATOM 52 ND1 HIS A 5 -15.706 -27.578 -8.178 1.00 43.12 N ATOM 53 CD2 HIS A 5 -15.231 -29.508 -9.082 1.00 43.21 C ATOM 54 CE1 HIS A 5 -16.779 -28.339 -8.062 1.00 14.34 C ATOM 55 NE2 HIS A 5 -16.518 -29.515 -8.603 1.00 5.23 N ATOM 0 H HIS A 5 -10.677 -27.448 -9.314 1.00 44.14 H new ATOM 0 HA HIS A 5 -12.561 -29.698 -8.904 1.00 23.31 H new ATOM 0 HB2 HIS A 5 -13.030 -27.124 -8.252 1.00 74.25 H new ATOM 0 HB3 HIS A 5 -13.435 -27.032 -9.955 1.00 74.25 H new ATOM 0 HD2 HIS A 5 -14.728 -30.325 -9.578 1.00 43.21 H new ATOM 0 HE1 HIS A 5 -17.712 -28.049 -7.602 1.00 14.34 H new ATOM 0 HE2 HIS A 5 -17.167 -30.300 -8.656 1.00 5.23 H new ATOM 63 N HIS A 6 -12.012 -28.002 -11.699 1.00 43.32 N ATOM 64 CA HIS A 6 -11.947 -28.130 -13.151 1.00 33.53 C ATOM 65 C HIS A 6 -11.569 -26.802 -13.798 1.00 3.43 C ATOM 66 O HIS A 6 -12.369 -25.867 -13.834 1.00 54.40 O ATOM 67 CB HIS A 6 -13.289 -28.615 -13.701 1.00 11.11 C ATOM 68 CG HIS A 6 -13.160 -29.701 -14.724 1.00 21.43 C ATOM 69 ND1 HIS A 6 -13.886 -30.873 -14.673 1.00 41.44 N ATOM 70 CD2 HIS A 6 -12.384 -29.789 -15.829 1.00 40.33 C ATOM 71 CE1 HIS A 6 -13.561 -31.634 -15.703 1.00 21.13 C ATOM 72 NE2 HIS A 6 -12.652 -30.999 -16.420 1.00 64.11 N ATOM 0 H HIS A 6 -11.854 -27.056 -11.352 1.00 43.32 H new ATOM 0 HA HIS A 6 -11.177 -28.863 -13.392 1.00 33.53 H new ATOM 0 HB2 HIS A 6 -13.902 -28.976 -12.875 1.00 11.11 H new ATOM 0 HB3 HIS A 6 -13.817 -27.771 -14.144 1.00 11.11 H new ATOM 0 HD2 HIS A 6 -11.684 -29.046 -16.181 1.00 40.33 H new ATOM 0 HE1 HIS A 6 -13.969 -32.610 -15.921 1.00 21.13 H new ATOM 0 HE2 HIS A 6 -12.219 -31.350 -17.274 1.00 64.11 H new ATOM 80 N HIS A 7 -10.343 -26.725 -14.307 1.00 12.43 N ATOM 81 CA HIS A 7 -9.858 -25.510 -14.952 1.00 54.23 C ATOM 82 C HIS A 7 -9.588 -25.753 -16.434 1.00 50.21 C ATOM 83 O HIS A 7 -9.956 -24.941 -17.284 1.00 64.11 O ATOM 84 CB HIS A 7 -8.586 -25.014 -14.264 1.00 71.33 C ATOM 85 CG HIS A 7 -8.708 -23.631 -13.704 1.00 51.53 C ATOM 86 ND1 HIS A 7 -8.676 -23.360 -12.352 1.00 62.25 N ATOM 87 CD2 HIS A 7 -8.861 -22.436 -14.322 1.00 14.12 C ATOM 88 CE1 HIS A 7 -8.806 -22.059 -12.163 1.00 23.33 C ATOM 89 NE2 HIS A 7 -8.920 -21.475 -13.342 1.00 64.50 N ATOM 0 H HIS A 7 -9.668 -27.489 -14.285 1.00 12.43 H new ATOM 0 HA HIS A 7 -10.631 -24.747 -14.862 1.00 54.23 H new ATOM 0 HB2 HIS A 7 -8.327 -25.701 -13.459 1.00 71.33 H new ATOM 0 HB3 HIS A 7 -7.764 -25.036 -14.979 1.00 71.33 H new ATOM 0 HD2 HIS A 7 -8.925 -22.269 -15.387 1.00 14.12 H new ATOM 0 HE1 HIS A 7 -8.817 -21.558 -11.206 1.00 23.33 H new ATOM 0 HE2 HIS A 7 -9.033 -20.474 -13.499 1.00 64.50 H new ATOM 97 N HIS A 8 -8.942 -26.875 -16.737 1.00 15.23 N ATOM 98 CA HIS A 8 -8.623 -27.224 -18.116 1.00 64.42 C ATOM 99 C HIS A 8 -9.803 -27.920 -18.788 1.00 42.41 C ATOM 100 O HIS A 8 -10.328 -28.908 -18.275 1.00 75.01 O ATOM 101 CB HIS A 8 -7.390 -28.128 -18.163 1.00 3.42 C ATOM 102 CG HIS A 8 -6.096 -27.374 -18.182 1.00 44.04 C ATOM 103 ND1 HIS A 8 -5.746 -26.505 -19.194 1.00 62.14 N ATOM 104 CD2 HIS A 8 -5.065 -27.362 -17.305 1.00 0.41 C ATOM 105 CE1 HIS A 8 -4.555 -25.992 -18.939 1.00 73.35 C ATOM 106 NE2 HIS A 8 -4.121 -26.495 -17.798 1.00 65.43 N ATOM 0 H HIS A 8 -8.630 -27.557 -16.046 1.00 15.23 H new ATOM 0 HA HIS A 8 -8.411 -26.302 -18.658 1.00 64.42 H new ATOM 0 HB2 HIS A 8 -7.402 -28.791 -17.298 1.00 3.42 H new ATOM 0 HB3 HIS A 8 -7.446 -28.760 -19.049 1.00 3.42 H new ATOM 0 HD2 HIS A 8 -4.997 -27.929 -16.388 1.00 0.41 H new ATOM 0 HE1 HIS A 8 -4.027 -25.282 -19.558 1.00 73.35 H new ATOM 0 HE2 HIS A 8 -3.229 -26.275 -17.355 1.00 65.43 H new ATOM 114 N HIS A 9 -10.215 -27.396 -19.938 1.00 72.13 N ATOM 115 CA HIS A 9 -11.334 -27.967 -20.680 1.00 42.54 C ATOM 116 C HIS A 9 -10.981 -29.351 -21.216 1.00 42.34 C ATOM 117 O HIS A 9 -10.280 -29.479 -22.221 1.00 53.51 O ATOM 118 CB HIS A 9 -11.730 -27.046 -21.835 1.00 10.42 C ATOM 119 CG HIS A 9 -12.136 -25.673 -21.394 1.00 32.12 C ATOM 120 ND1 HIS A 9 -11.912 -24.542 -22.151 1.00 32.44 N ATOM 121 CD2 HIS A 9 -12.757 -25.253 -20.267 1.00 12.10 C ATOM 122 CE1 HIS A 9 -12.376 -23.486 -21.508 1.00 12.25 C ATOM 123 NE2 HIS A 9 -12.895 -23.890 -20.362 1.00 4.22 N ATOM 0 H HIS A 9 -9.792 -26.578 -20.376 1.00 72.13 H new ATOM 0 HA HIS A 9 -12.178 -28.066 -19.997 1.00 42.54 H new ATOM 0 HB2 HIS A 9 -10.892 -26.963 -22.527 1.00 10.42 H new ATOM 0 HB3 HIS A 9 -12.554 -27.500 -22.385 1.00 10.42 H new ATOM 0 HD2 HIS A 9 -13.083 -25.874 -19.446 1.00 12.10 H new ATOM 0 HE1 HIS A 9 -12.338 -22.465 -21.859 1.00 12.25 H new ATOM 0 HE2 HIS A 9 -13.328 -23.288 -19.662 1.00 4.22 H new ATOM 131 N HIS A 10 -11.470 -30.385 -20.539 1.00 44.31 N ATOM 132 CA HIS A 10 -11.205 -31.760 -20.947 1.00 54.14 C ATOM 133 C HIS A 10 -9.706 -32.041 -20.970 1.00 31.45 C ATOM 134 O HIS A 10 -9.064 -31.959 -22.016 1.00 33.11 O ATOM 135 CB HIS A 10 -11.807 -32.029 -22.327 1.00 31.10 C ATOM 136 CG HIS A 10 -13.275 -31.745 -22.406 1.00 15.31 C ATOM 137 ND1 HIS A 10 -13.820 -30.841 -23.293 1.00 53.23 N ATOM 138 CD2 HIS A 10 -14.315 -32.252 -21.703 1.00 24.25 C ATOM 139 CE1 HIS A 10 -15.131 -30.803 -23.131 1.00 62.31 C ATOM 140 NE2 HIS A 10 -15.456 -31.651 -22.172 1.00 34.00 N ATOM 0 H HIS A 10 -12.052 -30.297 -19.706 1.00 44.31 H new ATOM 0 HA HIS A 10 -11.670 -32.425 -20.219 1.00 54.14 H new ATOM 0 HB2 HIS A 10 -11.287 -31.419 -23.066 1.00 31.10 H new ATOM 0 HB3 HIS A 10 -11.632 -33.071 -22.594 1.00 31.10 H new ATOM 0 HD2 HIS A 10 -14.257 -32.992 -20.919 1.00 24.25 H new ATOM 0 HE1 HIS A 10 -15.819 -30.184 -23.688 1.00 62.31 H new ATOM 0 HE2 HIS A 10 -16.402 -31.830 -21.835 1.00 34.00 H new ATOM 148 N GLY A 11 -9.154 -32.373 -19.806 1.00 63.55 N ATOM 149 CA GLY A 11 -7.734 -32.661 -19.715 1.00 32.04 C ATOM 150 C GLY A 11 -7.207 -32.534 -18.299 1.00 53.41 C ATOM 151 O GLY A 11 -6.950 -31.428 -17.822 1.00 61.34 O ATOM 0 H GLY A 11 -9.664 -32.448 -18.926 1.00 63.55 H new ATOM 0 HA2 GLY A 11 -7.547 -33.671 -20.080 1.00 32.04 H new ATOM 0 HA3 GLY A 11 -7.186 -31.980 -20.366 1.00 32.04 H new ATOM 155 N SER A 12 -7.048 -33.668 -17.624 1.00 43.33 N ATOM 156 CA SER A 12 -6.553 -33.678 -16.253 1.00 13.15 C ATOM 157 C SER A 12 -5.186 -34.350 -16.173 1.00 1.11 C ATOM 158 O SER A 12 -4.184 -33.707 -15.860 1.00 61.52 O ATOM 159 CB SER A 12 -7.543 -34.400 -15.337 1.00 32.14 C ATOM 160 OG SER A 12 -6.873 -35.033 -14.260 1.00 55.00 O ATOM 0 H SER A 12 -7.255 -34.591 -18.005 1.00 43.33 H new ATOM 0 HA SER A 12 -6.450 -32.644 -15.923 1.00 13.15 H new ATOM 0 HB2 SER A 12 -8.270 -33.687 -14.948 1.00 32.14 H new ATOM 0 HB3 SER A 12 -8.099 -35.142 -15.910 1.00 32.14 H new ATOM 0 HG SER A 12 -7.528 -35.486 -13.689 1.00 55.00 H new ATOM 166 N MET A 13 -5.154 -35.647 -16.458 1.00 62.53 N ATOM 167 CA MET A 13 -3.910 -36.407 -16.420 1.00 63.43 C ATOM 168 C MET A 13 -3.242 -36.289 -15.054 1.00 31.42 C ATOM 169 O MET A 13 -2.414 -35.407 -14.831 1.00 43.45 O ATOM 170 CB MET A 13 -2.955 -35.918 -17.511 1.00 70.42 C ATOM 171 CG MET A 13 -2.919 -36.819 -18.735 1.00 41.24 C ATOM 172 SD MET A 13 -3.719 -36.074 -20.169 1.00 40.13 S ATOM 173 CE MET A 13 -2.332 -35.237 -20.934 1.00 72.42 C ATOM 0 H MET A 13 -5.975 -36.194 -16.718 1.00 62.53 H new ATOM 0 HA MET A 13 -4.149 -37.455 -16.599 1.00 63.43 H new ATOM 0 HB2 MET A 13 -3.250 -34.914 -17.817 1.00 70.42 H new ATOM 0 HB3 MET A 13 -1.950 -35.842 -17.096 1.00 70.42 H new ATOM 0 HG2 MET A 13 -1.883 -37.050 -18.981 1.00 41.24 H new ATOM 0 HG3 MET A 13 -3.409 -37.764 -18.500 1.00 41.24 H new ATOM 0 HE1 MET A 13 -2.668 -34.727 -21.837 1.00 72.42 H new ATOM 0 HE2 MET A 13 -1.918 -34.507 -20.238 1.00 72.42 H new ATOM 0 HE3 MET A 13 -1.565 -35.967 -21.193 1.00 72.42 H new ATOM 183 N SER A 14 -3.609 -37.184 -14.142 1.00 24.31 N ATOM 184 CA SER A 14 -3.048 -37.178 -12.796 1.00 1.52 C ATOM 185 C SER A 14 -2.830 -38.601 -12.291 1.00 45.40 C ATOM 186 O SER A 14 -3.475 -39.540 -12.755 1.00 23.23 O ATOM 187 CB SER A 14 -3.972 -36.421 -11.839 1.00 60.24 C ATOM 188 OG SER A 14 -5.319 -36.832 -12.000 1.00 24.33 O ATOM 0 H SER A 14 -4.292 -37.922 -14.311 1.00 24.31 H new ATOM 0 HA SER A 14 -2.083 -36.673 -12.834 1.00 1.52 H new ATOM 0 HB2 SER A 14 -3.656 -36.594 -10.810 1.00 60.24 H new ATOM 0 HB3 SER A 14 -3.891 -35.349 -12.021 1.00 60.24 H new ATOM 0 HG SER A 14 -5.752 -36.274 -12.679 1.00 24.33 H new ATOM 194 N GLU A 15 -1.915 -38.750 -11.338 1.00 1.01 N ATOM 195 CA GLU A 15 -1.610 -40.058 -10.771 1.00 35.34 C ATOM 196 C GLU A 15 -2.110 -40.157 -9.332 1.00 22.10 C ATOM 197 O GLU A 15 -2.747 -39.237 -8.820 1.00 54.52 O ATOM 198 CB GLU A 15 -0.104 -40.322 -10.818 1.00 41.43 C ATOM 199 CG GLU A 15 0.418 -40.618 -12.214 1.00 62.30 C ATOM 200 CD GLU A 15 1.258 -41.880 -12.267 1.00 12.21 C ATOM 201 OE1 GLU A 15 2.099 -42.070 -11.363 1.00 71.23 O ATOM 202 OE2 GLU A 15 1.075 -42.676 -13.211 1.00 35.10 O ATOM 0 H GLU A 15 -1.373 -37.982 -10.943 1.00 1.01 H new ATOM 0 HA GLU A 15 -2.122 -40.812 -11.369 1.00 35.34 H new ATOM 0 HB2 GLU A 15 0.421 -39.454 -10.419 1.00 41.43 H new ATOM 0 HB3 GLU A 15 0.130 -41.163 -10.166 1.00 41.43 H new ATOM 0 HG2 GLU A 15 -0.424 -40.717 -12.899 1.00 62.30 H new ATOM 0 HG3 GLU A 15 1.014 -39.774 -12.562 1.00 62.30 H new ATOM 209 N TYR A 16 -1.816 -41.280 -8.686 1.00 3.21 N ATOM 210 CA TYR A 16 -2.237 -41.501 -7.308 1.00 22.24 C ATOM 211 C TYR A 16 -1.073 -41.999 -6.456 1.00 31.12 C ATOM 212 O TYR A 16 0.047 -42.150 -6.943 1.00 64.05 O ATOM 213 CB TYR A 16 -3.387 -42.509 -7.259 1.00 44.31 C ATOM 214 CG TYR A 16 -3.233 -43.650 -8.239 1.00 55.11 C ATOM 215 CD1 TYR A 16 -2.374 -44.709 -7.973 1.00 71.02 C ATOM 216 CD2 TYR A 16 -3.947 -43.669 -9.431 1.00 40.20 C ATOM 217 CE1 TYR A 16 -2.230 -45.754 -8.866 1.00 13.41 C ATOM 218 CE2 TYR A 16 -3.811 -44.710 -10.329 1.00 4.22 C ATOM 219 CZ TYR A 16 -2.951 -45.750 -10.042 1.00 10.31 C ATOM 220 OH TYR A 16 -2.811 -46.788 -10.934 1.00 53.22 O ATOM 0 H TYR A 16 -1.288 -42.051 -9.095 1.00 3.21 H new ATOM 0 HA TYR A 16 -2.580 -40.549 -6.903 1.00 22.24 H new ATOM 0 HB2 TYR A 16 -3.461 -42.915 -6.250 1.00 44.31 H new ATOM 0 HB3 TYR A 16 -4.323 -41.990 -7.463 1.00 44.31 H new ATOM 0 HD1 TYR A 16 -1.809 -44.716 -7.053 1.00 71.02 H new ATOM 0 HD2 TYR A 16 -4.620 -42.856 -9.659 1.00 40.20 H new ATOM 0 HE1 TYR A 16 -1.557 -46.569 -8.644 1.00 13.41 H new ATOM 0 HE2 TYR A 16 -4.375 -44.710 -11.250 1.00 4.22 H new ATOM 0 HH TYR A 16 -3.389 -46.633 -11.710 1.00 53.22 H new ATOM 230 N ILE A 17 -1.348 -42.253 -5.181 1.00 11.22 N ATOM 231 CA ILE A 17 -0.326 -42.735 -4.261 1.00 23.42 C ATOM 232 C ILE A 17 -0.717 -44.082 -3.661 1.00 40.22 C ATOM 233 O ILE A 17 -1.790 -44.223 -3.075 1.00 75.45 O ATOM 234 CB ILE A 17 -0.076 -41.731 -3.120 1.00 64.31 C ATOM 235 CG1 ILE A 17 0.836 -42.349 -2.058 1.00 61.31 C ATOM 236 CG2 ILE A 17 -1.395 -41.292 -2.503 1.00 2.23 C ATOM 237 CD1 ILE A 17 1.228 -41.383 -0.962 1.00 62.40 C ATOM 0 H ILE A 17 -2.270 -42.133 -4.762 1.00 11.22 H new ATOM 0 HA ILE A 17 0.590 -42.850 -4.840 1.00 23.42 H new ATOM 0 HB ILE A 17 0.421 -40.852 -3.531 1.00 64.31 H new ATOM 0 HG12 ILE A 17 0.332 -43.207 -1.612 1.00 61.31 H new ATOM 0 HG13 ILE A 17 1.739 -42.725 -2.540 1.00 61.31 H new ATOM 0 HG21 ILE A 17 -1.202 -40.583 -1.698 1.00 2.23 H new ATOM 0 HG22 ILE A 17 -2.013 -40.817 -3.265 1.00 2.23 H new ATOM 0 HG23 ILE A 17 -1.917 -42.161 -2.103 1.00 2.23 H new ATOM 0 HD11 ILE A 17 1.874 -41.889 -0.245 1.00 62.40 H new ATOM 0 HD12 ILE A 17 1.760 -40.537 -1.396 1.00 62.40 H new ATOM 0 HD13 ILE A 17 0.332 -41.026 -0.454 1.00 62.40 H new ATOM 249 N ARG A 18 0.162 -45.068 -3.810 1.00 51.52 N ATOM 250 CA ARG A 18 -0.091 -46.403 -3.283 1.00 12.11 C ATOM 251 C ARG A 18 0.925 -46.763 -2.203 1.00 0.40 C ATOM 252 O ARG A 18 2.082 -47.062 -2.499 1.00 52.02 O ATOM 253 CB ARG A 18 -0.042 -47.437 -4.409 1.00 51.02 C ATOM 254 CG ARG A 18 -1.414 -47.873 -4.896 1.00 54.21 C ATOM 255 CD ARG A 18 -1.432 -49.348 -5.265 1.00 31.03 C ATOM 256 NE ARG A 18 -1.444 -49.551 -6.711 1.00 13.21 N ATOM 257 CZ ARG A 18 -1.501 -50.747 -7.285 1.00 21.42 C ATOM 258 NH1 ARG A 18 -1.551 -51.842 -6.539 1.00 24.41 N ATOM 259 NH2 ARG A 18 -1.508 -50.850 -8.608 1.00 33.43 N ATOM 0 H ARG A 18 1.056 -44.967 -4.291 1.00 51.52 H new ATOM 0 HA ARG A 18 -1.086 -46.408 -2.838 1.00 12.11 H new ATOM 0 HB2 ARG A 18 0.517 -47.022 -5.248 1.00 51.02 H new ATOM 0 HB3 ARG A 18 0.507 -48.313 -4.063 1.00 51.02 H new ATOM 0 HG2 ARG A 18 -2.154 -47.682 -4.119 1.00 54.21 H new ATOM 0 HG3 ARG A 18 -1.700 -47.277 -5.762 1.00 54.21 H new ATOM 0 HD2 ARG A 18 -0.558 -49.839 -4.837 1.00 31.03 H new ATOM 0 HD3 ARG A 18 -2.310 -49.821 -4.825 1.00 31.03 H new ATOM 0 HE ARG A 18 -1.407 -48.729 -7.313 1.00 13.21 H new ATOM 0 HH11 ARG A 18 -1.546 -51.767 -5.522 1.00 24.41 H new ATOM 0 HH12 ARG A 18 -1.595 -52.760 -6.982 1.00 24.41 H new ATOM 0 HH21 ARG A 18 -1.470 -50.010 -9.185 1.00 33.43 H new ATOM 0 HH22 ARG A 18 -1.552 -51.769 -9.048 1.00 33.43 H new ATOM 273 N VAL A 19 0.485 -46.731 -0.949 1.00 51.51 N ATOM 274 CA VAL A 19 1.355 -47.054 0.175 1.00 2.52 C ATOM 275 C VAL A 19 0.565 -47.675 1.321 1.00 30.31 C ATOM 276 O VAL A 19 -0.636 -47.441 1.461 1.00 20.33 O ATOM 277 CB VAL A 19 2.091 -45.803 0.693 1.00 61.34 C ATOM 278 CG1 VAL A 19 3.234 -45.432 -0.240 1.00 54.42 C ATOM 279 CG2 VAL A 19 1.121 -44.642 0.850 1.00 3.12 C ATOM 0 H VAL A 19 -0.469 -46.485 -0.686 1.00 51.51 H new ATOM 0 HA VAL A 19 2.088 -47.774 -0.189 1.00 2.52 H new ATOM 0 HB VAL A 19 2.512 -46.029 1.672 1.00 61.34 H new ATOM 0 HG11 VAL A 19 3.742 -44.546 0.142 1.00 54.42 H new ATOM 0 HG12 VAL A 19 3.941 -46.260 -0.297 1.00 54.42 H new ATOM 0 HG13 VAL A 19 2.839 -45.223 -1.234 1.00 54.42 H new ATOM 0 HG21 VAL A 19 1.657 -43.767 1.217 1.00 3.12 H new ATOM 0 HG22 VAL A 19 0.669 -44.413 -0.115 1.00 3.12 H new ATOM 0 HG23 VAL A 19 0.341 -44.913 1.561 1.00 3.12 H new ATOM 289 N THR A 20 1.247 -48.470 2.141 1.00 51.44 N ATOM 290 CA THR A 20 0.609 -49.126 3.275 1.00 62.23 C ATOM 291 C THR A 20 1.320 -48.784 4.579 1.00 22.31 C ATOM 292 O THR A 20 2.540 -48.627 4.608 1.00 22.21 O ATOM 293 CB THR A 20 0.590 -50.656 3.100 1.00 73.53 C ATOM 294 OG1 THR A 20 0.433 -51.293 4.373 1.00 61.23 O ATOM 295 CG2 THR A 20 1.871 -51.142 2.438 1.00 11.25 C ATOM 0 H THR A 20 2.241 -48.675 2.040 1.00 51.44 H new ATOM 0 HA THR A 20 -0.417 -48.759 3.317 1.00 62.23 H new ATOM 0 HB THR A 20 -0.252 -50.915 2.458 1.00 73.53 H new ATOM 0 HG1 THR A 20 1.315 -51.483 4.755 1.00 61.23 H new ATOM 0 HG21 THR A 20 1.834 -52.226 2.325 1.00 11.25 H new ATOM 0 HG22 THR A 20 1.972 -50.678 1.457 1.00 11.25 H new ATOM 0 HG23 THR A 20 2.726 -50.871 3.057 1.00 11.25 H new ATOM 303 N GLU A 21 0.549 -48.671 5.656 1.00 22.31 N ATOM 304 CA GLU A 21 1.107 -48.348 6.964 1.00 43.32 C ATOM 305 C GLU A 21 1.891 -49.529 7.528 1.00 22.12 C ATOM 306 O GLU A 21 3.019 -49.373 7.997 1.00 51.44 O ATOM 307 CB GLU A 21 -0.007 -47.950 7.934 1.00 22.34 C ATOM 308 CG GLU A 21 0.484 -47.151 9.130 1.00 71.21 C ATOM 309 CD GLU A 21 0.146 -47.813 10.452 1.00 3.40 C ATOM 310 OE1 GLU A 21 -0.767 -47.318 11.146 1.00 73.44 O ATOM 311 OE2 GLU A 21 0.795 -48.823 10.793 1.00 22.32 O ATOM 0 H GLU A 21 -0.463 -48.798 5.649 1.00 22.31 H new ATOM 0 HA GLU A 21 1.790 -47.507 6.842 1.00 43.32 H new ATOM 0 HB2 GLU A 21 -0.752 -47.363 7.397 1.00 22.34 H new ATOM 0 HB3 GLU A 21 -0.506 -48.851 8.290 1.00 22.34 H new ATOM 0 HG2 GLU A 21 1.564 -47.023 9.058 1.00 71.21 H new ATOM 0 HG3 GLU A 21 0.042 -46.155 9.103 1.00 71.21 H new ATOM 318 N ASP A 22 1.285 -50.710 7.480 1.00 23.34 N ATOM 319 CA ASP A 22 1.926 -51.919 7.986 1.00 35.01 C ATOM 320 C ASP A 22 2.621 -52.678 6.860 1.00 52.51 C ATOM 321 O ASP A 22 2.353 -52.441 5.682 1.00 33.35 O ATOM 322 CB ASP A 22 0.895 -52.822 8.665 1.00 14.13 C ATOM 323 CG ASP A 22 0.901 -52.675 10.174 1.00 10.12 C ATOM 324 OD1 ASP A 22 2.002 -52.644 10.763 1.00 21.10 O ATOM 325 OD2 ASP A 22 -0.195 -52.590 10.766 1.00 11.22 O ATOM 0 H ASP A 22 0.351 -50.856 7.096 1.00 23.34 H new ATOM 0 HA ASP A 22 2.677 -51.623 8.718 1.00 35.01 H new ATOM 0 HB2 ASP A 22 -0.098 -52.585 8.284 1.00 14.13 H new ATOM 0 HB3 ASP A 22 1.098 -53.861 8.403 1.00 14.13 H new ATOM 330 N GLU A 23 3.515 -53.588 7.231 1.00 64.33 N ATOM 331 CA GLU A 23 4.250 -54.380 6.251 1.00 42.52 C ATOM 332 C GLU A 23 3.412 -55.558 5.765 1.00 61.54 C ATOM 333 O GLU A 23 3.483 -55.945 4.599 1.00 64.20 O ATOM 334 CB GLU A 23 5.563 -54.886 6.852 1.00 33.44 C ATOM 335 CG GLU A 23 5.370 -55.816 8.039 1.00 54.03 C ATOM 336 CD GLU A 23 6.683 -56.305 8.617 1.00 44.41 C ATOM 337 OE1 GLU A 23 6.928 -57.529 8.581 1.00 14.04 O ATOM 338 OE2 GLU A 23 7.467 -55.464 9.105 1.00 51.33 O ATOM 0 H GLU A 23 3.748 -53.796 8.202 1.00 64.33 H new ATOM 0 HA GLU A 23 4.473 -53.739 5.398 1.00 42.52 H new ATOM 0 HB2 GLU A 23 6.129 -55.408 6.080 1.00 33.44 H new ATOM 0 HB3 GLU A 23 6.163 -54.031 7.164 1.00 33.44 H new ATOM 0 HG2 GLU A 23 4.807 -55.297 8.815 1.00 54.03 H new ATOM 0 HG3 GLU A 23 4.772 -56.673 7.730 1.00 54.03 H new ATOM 345 N ASN A 24 2.619 -56.125 6.668 1.00 72.32 N ATOM 346 CA ASN A 24 1.768 -57.261 6.332 1.00 15.11 C ATOM 347 C ASN A 24 0.510 -56.801 5.601 1.00 11.33 C ATOM 348 O ASN A 24 -0.067 -57.545 4.808 1.00 44.23 O ATOM 349 CB ASN A 24 1.383 -58.029 7.599 1.00 51.45 C ATOM 350 CG ASN A 24 1.300 -59.525 7.365 1.00 3.30 C ATOM 351 OD1 ASN A 24 2.315 -60.222 7.368 1.00 2.41 O ATOM 352 ND2 ASN A 24 0.087 -60.025 7.161 1.00 64.42 N ATOM 0 H ASN A 24 2.548 -55.817 7.638 1.00 72.32 H new ATOM 0 HA ASN A 24 2.330 -57.921 5.671 1.00 15.11 H new ATOM 0 HB2 ASN A 24 2.116 -57.826 8.380 1.00 51.45 H new ATOM 0 HB3 ASN A 24 0.421 -57.667 7.962 1.00 51.45 H new ATOM 0 HD21 ASN A 24 -0.032 -61.025 6.998 1.00 64.42 H new ATOM 0 HD22 ASN A 24 -0.726 -59.409 7.167 1.00 64.42 H new ATOM 359 N ASP A 25 0.091 -55.570 5.874 1.00 33.12 N ATOM 360 CA ASP A 25 -1.098 -55.009 5.242 1.00 64.23 C ATOM 361 C ASP A 25 -0.845 -54.727 3.764 1.00 4.20 C ATOM 362 O ASP A 25 0.291 -54.489 3.354 1.00 52.11 O ATOM 363 CB ASP A 25 -1.522 -53.724 5.954 1.00 71.00 C ATOM 364 CG ASP A 25 -2.755 -53.098 5.332 1.00 0.25 C ATOM 365 OD1 ASP A 25 -3.694 -53.848 4.992 1.00 50.44 O ATOM 366 OD2 ASP A 25 -2.781 -51.858 5.188 1.00 52.13 O ATOM 0 H ASP A 25 0.557 -54.942 6.529 1.00 33.12 H new ATOM 0 HA ASP A 25 -1.902 -55.741 5.322 1.00 64.23 H new ATOM 0 HB2 ASP A 25 -1.719 -53.942 7.004 1.00 71.00 H new ATOM 0 HB3 ASP A 25 -0.701 -53.008 5.925 1.00 71.00 H new ATOM 371 N GLU A 26 -1.911 -54.756 2.970 1.00 25.01 N ATOM 372 CA GLU A 26 -1.803 -54.505 1.538 1.00 45.12 C ATOM 373 C GLU A 26 -1.653 -53.012 1.257 1.00 71.52 C ATOM 374 O GLU A 26 -2.114 -52.162 2.019 1.00 71.41 O ATOM 375 CB GLU A 26 -3.031 -55.052 0.807 1.00 23.15 C ATOM 376 CG GLU A 26 -2.807 -56.418 0.180 1.00 52.44 C ATOM 377 CD GLU A 26 -3.744 -57.474 0.732 1.00 73.11 C ATOM 378 OE1 GLU A 26 -4.951 -57.182 0.870 1.00 22.30 O ATOM 379 OE2 GLU A 26 -3.272 -58.592 1.026 1.00 3.22 O ATOM 0 H GLU A 26 -2.858 -54.951 3.294 1.00 25.01 H new ATOM 0 HA GLU A 26 -0.913 -55.017 1.172 1.00 45.12 H new ATOM 0 HB2 GLU A 26 -3.863 -55.115 1.509 1.00 23.15 H new ATOM 0 HB3 GLU A 26 -3.324 -54.348 0.028 1.00 23.15 H new ATOM 0 HG2 GLU A 26 -2.943 -56.345 -0.899 1.00 52.44 H new ATOM 0 HG3 GLU A 26 -1.776 -56.727 0.351 1.00 52.44 H new ATOM 386 N PRO A 27 -0.993 -52.685 0.136 1.00 25.03 N ATOM 387 CA PRO A 27 -0.766 -51.295 -0.272 1.00 35.41 C ATOM 388 C PRO A 27 -2.052 -50.604 -0.711 1.00 55.31 C ATOM 389 O PRO A 27 -2.572 -50.870 -1.795 1.00 53.12 O ATOM 390 CB PRO A 27 0.201 -51.425 -1.451 1.00 53.03 C ATOM 391 CG PRO A 27 -0.049 -52.788 -1.998 1.00 21.22 C ATOM 392 CD PRO A 27 -0.416 -53.646 -0.819 1.00 21.23 C ATOM 0 HA PRO A 27 -0.381 -50.687 0.547 1.00 35.41 H new ATOM 0 HB2 PRO A 27 0.015 -50.657 -2.202 1.00 53.03 H new ATOM 0 HB3 PRO A 27 1.236 -51.312 -1.128 1.00 53.03 H new ATOM 0 HG2 PRO A 27 -0.853 -52.772 -2.734 1.00 21.22 H new ATOM 0 HG3 PRO A 27 0.837 -53.175 -2.502 1.00 21.22 H new ATOM 0 HD2 PRO A 27 -1.133 -54.420 -1.093 1.00 21.23 H new ATOM 0 HD3 PRO A 27 0.456 -54.152 -0.403 1.00 21.23 H new ATOM 400 N ILE A 28 -2.560 -49.715 0.137 1.00 71.34 N ATOM 401 CA ILE A 28 -3.785 -48.985 -0.166 1.00 4.31 C ATOM 402 C ILE A 28 -3.512 -47.826 -1.119 1.00 72.12 C ATOM 403 O ILE A 28 -2.493 -47.145 -1.008 1.00 75.01 O ATOM 404 CB ILE A 28 -4.444 -48.438 1.114 1.00 54.43 C ATOM 405 CG1 ILE A 28 -5.752 -47.720 0.773 1.00 71.24 C ATOM 406 CG2 ILE A 28 -3.493 -47.499 1.840 1.00 1.14 C ATOM 407 CD1 ILE A 28 -6.782 -48.618 0.123 1.00 10.30 C ATOM 0 H ILE A 28 -2.142 -49.483 1.038 1.00 71.34 H new ATOM 0 HA ILE A 28 -4.465 -49.691 -0.642 1.00 4.31 H new ATOM 0 HB ILE A 28 -4.671 -49.275 1.774 1.00 54.43 H new ATOM 0 HG12 ILE A 28 -6.174 -47.298 1.685 1.00 71.24 H new ATOM 0 HG13 ILE A 28 -5.536 -46.886 0.106 1.00 71.24 H new ATOM 0 HG21 ILE A 28 -3.973 -47.121 2.742 1.00 1.14 H new ATOM 0 HG22 ILE A 28 -2.585 -48.038 2.111 1.00 1.14 H new ATOM 0 HG23 ILE A 28 -3.238 -46.664 1.188 1.00 1.14 H new ATOM 0 HD11 ILE A 28 -7.683 -48.043 -0.091 1.00 10.30 H new ATOM 0 HD12 ILE A 28 -6.379 -49.020 -0.806 1.00 10.30 H new ATOM 0 HD13 ILE A 28 -7.027 -49.438 0.798 1.00 10.30 H new ATOM 419 N GLU A 29 -4.431 -47.608 -2.055 1.00 12.02 N ATOM 420 CA GLU A 29 -4.290 -46.530 -3.027 1.00 22.40 C ATOM 421 C GLU A 29 -5.196 -45.355 -2.672 1.00 72.22 C ATOM 422 O GLU A 29 -6.368 -45.539 -2.341 1.00 62.41 O ATOM 423 CB GLU A 29 -4.619 -47.036 -4.433 1.00 44.12 C ATOM 424 CG GLU A 29 -6.094 -47.331 -4.644 1.00 52.35 C ATOM 425 CD GLU A 29 -6.823 -46.196 -5.337 1.00 45.54 C ATOM 426 OE1 GLU A 29 -6.536 -45.946 -6.527 1.00 62.32 O ATOM 427 OE2 GLU A 29 -7.678 -45.556 -4.691 1.00 33.54 O ATOM 0 H GLU A 29 -5.280 -48.163 -2.161 1.00 12.02 H new ATOM 0 HA GLU A 29 -3.255 -46.188 -3.004 1.00 22.40 H new ATOM 0 HB2 GLU A 29 -4.298 -46.292 -5.162 1.00 44.12 H new ATOM 0 HB3 GLU A 29 -4.045 -47.942 -4.628 1.00 44.12 H new ATOM 0 HG2 GLU A 29 -6.198 -48.240 -5.237 1.00 52.35 H new ATOM 0 HG3 GLU A 29 -6.564 -47.524 -3.679 1.00 52.35 H new ATOM 434 N ILE A 30 -4.645 -44.148 -2.743 1.00 72.25 N ATOM 435 CA ILE A 30 -5.403 -42.943 -2.431 1.00 33.24 C ATOM 436 C ILE A 30 -5.306 -41.924 -3.561 1.00 13.14 C ATOM 437 O ILE A 30 -4.295 -41.825 -4.256 1.00 30.02 O ATOM 438 CB ILE A 30 -4.912 -42.293 -1.124 1.00 12.41 C ATOM 439 CG1 ILE A 30 -3.647 -42.993 -0.624 1.00 11.11 C ATOM 440 CG2 ILE A 30 -6.004 -42.340 -0.066 1.00 31.35 C ATOM 441 CD1 ILE A 30 -2.973 -42.276 0.525 1.00 15.11 C ATOM 0 H ILE A 30 -3.676 -43.979 -3.014 1.00 72.25 H new ATOM 0 HA ILE A 30 -6.443 -43.247 -2.308 1.00 33.24 H new ATOM 0 HB ILE A 30 -4.671 -41.249 -1.323 1.00 12.41 H new ATOM 0 HG12 ILE A 30 -3.902 -44.005 -0.310 1.00 11.11 H new ATOM 0 HG13 ILE A 30 -2.941 -43.083 -1.450 1.00 11.11 H new ATOM 0 HG21 ILE A 30 -5.642 -41.877 0.852 1.00 31.35 H new ATOM 0 HG22 ILE A 30 -6.881 -41.800 -0.424 1.00 31.35 H new ATOM 0 HG23 ILE A 30 -6.273 -43.377 0.133 1.00 31.35 H new ATOM 0 HD11 ILE A 30 -2.084 -42.829 0.827 1.00 15.11 H new ATOM 0 HD12 ILE A 30 -2.687 -41.273 0.210 1.00 15.11 H new ATOM 0 HD13 ILE A 30 -3.662 -42.209 1.367 1.00 15.11 H new ATOM 453 N PRO A 31 -6.382 -41.145 -3.749 1.00 31.21 N ATOM 454 CA PRO A 31 -6.442 -40.117 -4.792 1.00 73.11 C ATOM 455 C PRO A 31 -5.519 -38.939 -4.499 1.00 74.20 C ATOM 456 O PRO A 31 -5.722 -38.205 -3.532 1.00 20.21 O ATOM 457 CB PRO A 31 -7.906 -39.669 -4.765 1.00 22.42 C ATOM 458 CG PRO A 31 -8.370 -39.974 -3.382 1.00 65.22 C ATOM 459 CD PRO A 31 -7.622 -41.208 -2.958 1.00 34.25 C ATOM 0 HA PRO A 31 -6.117 -40.499 -5.760 1.00 73.11 H new ATOM 0 HB2 PRO A 31 -7.999 -38.606 -4.988 1.00 22.42 H new ATOM 0 HB3 PRO A 31 -8.497 -40.204 -5.508 1.00 22.42 H new ATOM 0 HG2 PRO A 31 -8.164 -39.142 -2.709 1.00 65.22 H new ATOM 0 HG3 PRO A 31 -9.447 -40.143 -3.360 1.00 65.22 H new ATOM 0 HD2 PRO A 31 -7.416 -41.205 -1.888 1.00 34.25 H new ATOM 0 HD3 PRO A 31 -8.189 -42.114 -3.171 1.00 34.25 H new ATOM 467 N SER A 32 -4.505 -38.764 -5.341 1.00 35.14 N ATOM 468 CA SER A 32 -3.549 -37.677 -5.169 1.00 51.34 C ATOM 469 C SER A 32 -3.960 -36.457 -5.989 1.00 75.41 C ATOM 470 O SER A 32 -5.018 -36.448 -6.618 1.00 42.04 O ATOM 471 CB SER A 32 -2.148 -38.132 -5.580 1.00 63.44 C ATOM 472 OG SER A 32 -1.851 -37.735 -6.908 1.00 31.31 O ATOM 0 H SER A 32 -4.325 -39.361 -6.148 1.00 35.14 H new ATOM 0 HA SER A 32 -3.539 -37.399 -4.115 1.00 51.34 H new ATOM 0 HB2 SER A 32 -1.410 -37.710 -4.897 1.00 63.44 H new ATOM 0 HB3 SER A 32 -2.075 -39.216 -5.497 1.00 63.44 H new ATOM 0 HG SER A 32 -2.038 -38.477 -7.521 1.00 31.31 H new ATOM 478 N GLU A 33 -3.116 -35.431 -5.975 1.00 51.35 N ATOM 479 CA GLU A 33 -3.392 -34.206 -6.717 1.00 12.43 C ATOM 480 C GLU A 33 -2.844 -34.294 -8.138 1.00 24.31 C ATOM 481 O GLU A 33 -2.165 -35.258 -8.494 1.00 3.23 O ATOM 482 CB GLU A 33 -2.783 -33.000 -5.998 1.00 15.04 C ATOM 483 CG GLU A 33 -3.816 -32.095 -5.346 1.00 44.13 C ATOM 484 CD GLU A 33 -4.414 -31.097 -6.319 1.00 65.21 C ATOM 485 OE1 GLU A 33 -4.020 -29.913 -6.270 1.00 13.22 O ATOM 486 OE2 GLU A 33 -5.274 -31.500 -7.129 1.00 71.11 O ATOM 0 H GLU A 33 -2.236 -35.423 -5.459 1.00 51.35 H new ATOM 0 HA GLU A 33 -4.473 -34.081 -6.771 1.00 12.43 H new ATOM 0 HB2 GLU A 33 -2.090 -33.354 -5.235 1.00 15.04 H new ATOM 0 HB3 GLU A 33 -2.201 -32.418 -6.712 1.00 15.04 H new ATOM 0 HG2 GLU A 33 -4.613 -32.706 -4.922 1.00 44.13 H new ATOM 0 HG3 GLU A 33 -3.352 -31.557 -4.519 1.00 44.13 H new ATOM 493 N ASP A 34 -3.143 -33.283 -8.945 1.00 74.15 N ATOM 494 CA ASP A 34 -2.681 -33.245 -10.328 1.00 24.41 C ATOM 495 C ASP A 34 -1.187 -32.941 -10.393 1.00 31.32 C ATOM 496 O ASP A 34 -0.473 -33.467 -11.247 1.00 51.21 O ATOM 497 CB ASP A 34 -3.462 -32.197 -11.121 1.00 71.24 C ATOM 498 CG ASP A 34 -3.264 -30.795 -10.581 1.00 4.15 C ATOM 499 OD1 ASP A 34 -2.328 -30.108 -11.041 1.00 44.11 O ATOM 500 OD2 ASP A 34 -4.045 -30.384 -9.697 1.00 63.12 O ATOM 0 H ASP A 34 -3.704 -32.478 -8.666 1.00 74.15 H new ATOM 0 HA ASP A 34 -2.854 -34.226 -10.770 1.00 24.41 H new ATOM 0 HB2 ASP A 34 -3.149 -32.228 -12.165 1.00 71.24 H new ATOM 0 HB3 ASP A 34 -4.523 -32.445 -11.098 1.00 71.24 H new ATOM 505 N ASP A 35 -0.722 -32.089 -9.486 1.00 32.53 N ATOM 506 CA ASP A 35 0.686 -31.715 -9.440 1.00 5.03 C ATOM 507 C ASP A 35 1.560 -32.924 -9.119 1.00 11.22 C ATOM 508 O ASP A 35 2.759 -32.927 -9.396 1.00 34.42 O ATOM 509 CB ASP A 35 0.911 -30.617 -8.398 1.00 73.44 C ATOM 510 CG ASP A 35 1.634 -29.414 -8.972 1.00 34.43 C ATOM 511 OD1 ASP A 35 2.855 -29.290 -8.741 1.00 32.11 O ATOM 512 OD2 ASP A 35 0.978 -28.598 -9.652 1.00 3.31 O ATOM 0 H ASP A 35 -1.300 -31.644 -8.773 1.00 32.53 H new ATOM 0 HA ASP A 35 0.967 -31.336 -10.423 1.00 5.03 H new ATOM 0 HB2 ASP A 35 -0.051 -30.301 -7.994 1.00 73.44 H new ATOM 0 HB3 ASP A 35 1.488 -31.022 -7.567 1.00 73.44 H new ATOM 517 N GLY A 36 0.950 -33.949 -8.532 1.00 22.33 N ATOM 518 CA GLY A 36 1.688 -35.149 -8.181 1.00 75.15 C ATOM 519 C GLY A 36 1.705 -35.403 -6.687 1.00 64.33 C ATOM 520 O GLY A 36 1.763 -36.551 -6.245 1.00 71.31 O ATOM 0 H GLY A 36 -0.041 -33.970 -8.293 1.00 22.33 H new ATOM 0 HA2 GLY A 36 1.244 -36.006 -8.687 1.00 75.15 H new ATOM 0 HA3 GLY A 36 2.712 -35.061 -8.543 1.00 75.15 H new ATOM 524 N THR A 37 1.658 -34.329 -5.905 1.00 72.31 N ATOM 525 CA THR A 37 1.672 -34.441 -4.452 1.00 53.30 C ATOM 526 C THR A 37 0.367 -35.035 -3.934 1.00 22.03 C ATOM 527 O THR A 37 -0.467 -35.500 -4.711 1.00 0.14 O ATOM 528 CB THR A 37 1.899 -33.071 -3.786 1.00 0.33 C ATOM 529 OG1 THR A 37 0.762 -32.227 -3.999 1.00 72.25 O ATOM 530 CG2 THR A 37 3.146 -32.399 -4.341 1.00 23.45 C ATOM 0 H THR A 37 1.610 -33.372 -6.254 1.00 72.31 H new ATOM 0 HA THR A 37 2.498 -35.104 -4.194 1.00 53.30 H new ATOM 0 HB THR A 37 2.037 -33.231 -2.717 1.00 0.33 H new ATOM 0 HG1 THR A 37 1.063 -31.313 -4.183 1.00 72.25 H new ATOM 0 HG21 THR A 37 3.285 -31.433 -3.856 1.00 23.45 H new ATOM 0 HG22 THR A 37 4.014 -33.030 -4.151 1.00 23.45 H new ATOM 0 HG23 THR A 37 3.033 -32.252 -5.415 1.00 23.45 H new ATOM 538 N VAL A 38 0.196 -35.016 -2.616 1.00 23.45 N ATOM 539 CA VAL A 38 -1.009 -35.552 -1.993 1.00 65.02 C ATOM 540 C VAL A 38 -1.510 -34.633 -0.885 1.00 25.13 C ATOM 541 O VAL A 38 -0.752 -34.247 0.007 1.00 50.25 O ATOM 542 CB VAL A 38 -0.762 -36.956 -1.409 1.00 41.31 C ATOM 543 CG1 VAL A 38 -1.954 -37.406 -0.579 1.00 13.22 C ATOM 544 CG2 VAL A 38 -0.470 -37.951 -2.521 1.00 70.54 C ATOM 0 H VAL A 38 0.877 -34.635 -1.959 1.00 23.45 H new ATOM 0 HA VAL A 38 -1.766 -35.620 -2.774 1.00 65.02 H new ATOM 0 HB VAL A 38 0.109 -36.911 -0.755 1.00 41.31 H new ATOM 0 HG11 VAL A 38 -1.761 -38.400 -0.175 1.00 13.22 H new ATOM 0 HG12 VAL A 38 -2.112 -36.705 0.241 1.00 13.22 H new ATOM 0 HG13 VAL A 38 -2.844 -37.436 -1.207 1.00 13.22 H new ATOM 0 HG21 VAL A 38 -0.298 -38.938 -2.091 1.00 70.54 H new ATOM 0 HG22 VAL A 38 -1.320 -37.995 -3.202 1.00 70.54 H new ATOM 0 HG23 VAL A 38 0.418 -37.634 -3.069 1.00 70.54 H new ATOM 554 N LEU A 39 -2.790 -34.286 -0.945 1.00 75.42 N ATOM 555 CA LEU A 39 -3.395 -33.412 0.054 1.00 25.35 C ATOM 556 C LEU A 39 -3.420 -34.086 1.423 1.00 43.22 C ATOM 557 O LEU A 39 -3.752 -35.266 1.540 1.00 62.23 O ATOM 558 CB LEU A 39 -4.815 -33.031 -0.365 1.00 12.51 C ATOM 559 CG LEU A 39 -5.020 -31.578 -0.796 1.00 13.21 C ATOM 560 CD1 LEU A 39 -4.775 -30.635 0.372 1.00 41.12 C ATOM 561 CD2 LEU A 39 -4.106 -31.234 -1.963 1.00 13.41 C ATOM 0 H LEU A 39 -3.430 -34.597 -1.676 1.00 75.42 H new ATOM 0 HA LEU A 39 -2.789 -32.508 0.125 1.00 25.35 H new ATOM 0 HB2 LEU A 39 -5.116 -33.679 -1.188 1.00 12.51 H new ATOM 0 HB3 LEU A 39 -5.487 -33.240 0.468 1.00 12.51 H new ATOM 0 HG LEU A 39 -6.053 -31.458 -1.122 1.00 13.21 H new ATOM 0 HD11 LEU A 39 -4.925 -29.606 0.046 1.00 41.12 H new ATOM 0 HD12 LEU A 39 -5.471 -30.866 1.178 1.00 41.12 H new ATOM 0 HD13 LEU A 39 -3.752 -30.757 0.730 1.00 41.12 H new ATOM 0 HD21 LEU A 39 -4.265 -30.196 -2.256 1.00 13.41 H new ATOM 0 HD22 LEU A 39 -3.067 -31.371 -1.664 1.00 13.41 H new ATOM 0 HD23 LEU A 39 -4.330 -31.888 -2.806 1.00 13.41 H new ATOM 573 N LEU A 40 -3.069 -33.328 2.456 1.00 40.01 N ATOM 574 CA LEU A 40 -3.053 -33.851 3.818 1.00 54.42 C ATOM 575 C LEU A 40 -4.364 -34.559 4.144 1.00 20.50 C ATOM 576 O LEU A 40 -4.369 -35.621 4.767 1.00 64.21 O ATOM 577 CB LEU A 40 -2.811 -32.718 4.817 1.00 45.01 C ATOM 578 CG LEU A 40 -2.486 -33.144 6.249 1.00 34.41 C ATOM 579 CD1 LEU A 40 -1.328 -34.130 6.263 1.00 34.14 C ATOM 580 CD2 LEU A 40 -2.166 -31.930 7.108 1.00 43.43 C ATOM 0 H LEU A 40 -2.792 -32.350 2.377 1.00 40.01 H new ATOM 0 HA LEU A 40 -2.241 -34.574 3.894 1.00 54.42 H new ATOM 0 HB2 LEU A 40 -1.990 -32.103 4.447 1.00 45.01 H new ATOM 0 HB3 LEU A 40 -3.698 -32.085 4.840 1.00 45.01 H new ATOM 0 HG LEU A 40 -3.362 -33.639 6.668 1.00 34.41 H new ATOM 0 HD11 LEU A 40 -1.111 -34.422 7.291 1.00 34.14 H new ATOM 0 HD12 LEU A 40 -1.595 -35.014 5.684 1.00 34.14 H new ATOM 0 HD13 LEU A 40 -0.446 -33.662 5.825 1.00 34.14 H new ATOM 0 HD21 LEU A 40 -1.937 -32.253 8.124 1.00 43.43 H new ATOM 0 HD22 LEU A 40 -1.306 -31.406 6.691 1.00 43.43 H new ATOM 0 HD23 LEU A 40 -3.025 -31.260 7.125 1.00 43.43 H new ATOM 592 N SER A 41 -5.474 -33.966 3.717 1.00 11.02 N ATOM 593 CA SER A 41 -6.791 -34.540 3.965 1.00 15.22 C ATOM 594 C SER A 41 -6.843 -35.996 3.514 1.00 32.44 C ATOM 595 O SER A 41 -7.513 -36.826 4.130 1.00 74.42 O ATOM 596 CB SER A 41 -7.868 -33.731 3.239 1.00 13.24 C ATOM 597 OG SER A 41 -9.116 -33.830 3.904 1.00 23.42 O ATOM 0 H SER A 41 -5.487 -33.088 3.198 1.00 11.02 H new ATOM 0 HA SER A 41 -6.980 -34.503 5.038 1.00 15.22 H new ATOM 0 HB2 SER A 41 -7.565 -32.686 3.182 1.00 13.24 H new ATOM 0 HB3 SER A 41 -7.969 -34.090 2.215 1.00 13.24 H new ATOM 0 HG SER A 41 -9.787 -33.303 3.421 1.00 23.42 H new ATOM 603 N THR A 42 -6.130 -36.301 2.434 1.00 12.24 N ATOM 604 CA THR A 42 -6.095 -37.656 1.899 1.00 44.21 C ATOM 605 C THR A 42 -5.268 -38.577 2.788 1.00 22.15 C ATOM 606 O THR A 42 -5.626 -39.735 3.004 1.00 53.13 O ATOM 607 CB THR A 42 -5.514 -37.681 0.472 1.00 22.15 C ATOM 608 OG1 THR A 42 -6.270 -36.814 -0.380 1.00 3.52 O ATOM 609 CG2 THR A 42 -5.528 -39.094 -0.092 1.00 43.55 C ATOM 0 H THR A 42 -5.569 -35.627 1.913 1.00 12.24 H new ATOM 0 HA THR A 42 -7.125 -38.012 1.871 1.00 44.21 H new ATOM 0 HB THR A 42 -4.482 -37.335 0.517 1.00 22.15 H new ATOM 0 HG1 THR A 42 -5.893 -36.834 -1.284 1.00 3.52 H new ATOM 0 HG21 THR A 42 -5.113 -39.088 -1.100 1.00 43.55 H new ATOM 0 HG22 THR A 42 -4.928 -39.745 0.543 1.00 43.55 H new ATOM 0 HG23 THR A 42 -6.553 -39.463 -0.124 1.00 43.55 H new ATOM 617 N VAL A 43 -4.159 -38.056 3.304 1.00 11.32 N ATOM 618 CA VAL A 43 -3.282 -38.831 4.173 1.00 63.33 C ATOM 619 C VAL A 43 -3.993 -39.224 5.463 1.00 4.30 C ATOM 620 O VAL A 43 -3.804 -40.326 5.979 1.00 12.00 O ATOM 621 CB VAL A 43 -2.002 -38.048 4.522 1.00 14.02 C ATOM 622 CG1 VAL A 43 -1.364 -38.604 5.785 1.00 24.55 C ATOM 623 CG2 VAL A 43 -1.022 -38.083 3.359 1.00 33.13 C ATOM 0 H VAL A 43 -3.847 -37.100 3.135 1.00 11.32 H new ATOM 0 HA VAL A 43 -3.009 -39.732 3.624 1.00 63.33 H new ATOM 0 HB VAL A 43 -2.272 -37.008 4.708 1.00 14.02 H new ATOM 0 HG11 VAL A 43 -0.461 -38.039 6.016 1.00 24.55 H new ATOM 0 HG12 VAL A 43 -2.066 -38.521 6.614 1.00 24.55 H new ATOM 0 HG13 VAL A 43 -1.106 -39.652 5.632 1.00 24.55 H new ATOM 0 HG21 VAL A 43 -0.124 -37.525 3.623 1.00 33.13 H new ATOM 0 HG22 VAL A 43 -0.755 -39.117 3.139 1.00 33.13 H new ATOM 0 HG23 VAL A 43 -1.484 -37.632 2.480 1.00 33.13 H new ATOM 633 N THR A 44 -4.812 -38.314 5.981 1.00 73.00 N ATOM 634 CA THR A 44 -5.552 -38.564 7.212 1.00 63.03 C ATOM 635 C THR A 44 -6.715 -39.519 6.970 1.00 62.31 C ATOM 636 O THR A 44 -7.119 -40.260 7.866 1.00 44.20 O ATOM 637 CB THR A 44 -6.094 -37.256 7.817 1.00 52.52 C ATOM 638 OG1 THR A 44 -7.120 -36.715 6.976 1.00 64.10 O ATOM 639 CG2 THR A 44 -4.979 -36.234 7.986 1.00 73.43 C ATOM 0 H THR A 44 -4.980 -37.397 5.567 1.00 73.00 H new ATOM 0 HA THR A 44 -4.853 -39.018 7.914 1.00 63.03 H new ATOM 0 HB THR A 44 -6.510 -37.482 8.799 1.00 52.52 H new ATOM 0 HG1 THR A 44 -6.934 -36.948 6.042 1.00 64.10 H new ATOM 0 HG21 THR A 44 -5.386 -35.319 8.415 1.00 73.43 H new ATOM 0 HG22 THR A 44 -4.214 -36.637 8.650 1.00 73.43 H new ATOM 0 HG23 THR A 44 -4.537 -36.014 7.014 1.00 73.43 H new ATOM 647 N ALA A 45 -7.249 -39.498 5.753 1.00 11.32 N ATOM 648 CA ALA A 45 -8.364 -40.364 5.393 1.00 34.42 C ATOM 649 C ALA A 45 -8.090 -41.809 5.799 1.00 54.34 C ATOM 650 O ALA A 45 -8.936 -42.462 6.410 1.00 4.51 O ATOM 651 CB ALA A 45 -8.640 -40.277 3.899 1.00 11.34 C ATOM 0 H ALA A 45 -6.927 -38.890 5.000 1.00 11.32 H new ATOM 0 HA ALA A 45 -9.246 -40.023 5.934 1.00 34.42 H new ATOM 0 HB1 ALA A 45 -9.475 -40.929 3.645 1.00 11.34 H new ATOM 0 HB2 ALA A 45 -8.888 -39.249 3.634 1.00 11.34 H new ATOM 0 HB3 ALA A 45 -7.754 -40.590 3.347 1.00 11.34 H new ATOM 657 N GLN A 46 -6.905 -42.301 5.453 1.00 10.31 N ATOM 658 CA GLN A 46 -6.522 -43.669 5.781 1.00 44.14 C ATOM 659 C GLN A 46 -5.531 -43.694 6.940 1.00 42.13 C ATOM 660 O GLN A 46 -5.538 -44.615 7.756 1.00 22.51 O ATOM 661 CB GLN A 46 -5.912 -44.356 4.558 1.00 63.52 C ATOM 662 CG GLN A 46 -6.505 -43.889 3.238 1.00 23.43 C ATOM 663 CD GLN A 46 -5.884 -44.583 2.042 1.00 72.14 C ATOM 664 OE1 GLN A 46 -6.588 -45.037 1.139 1.00 41.02 O ATOM 665 NE2 GLN A 46 -4.559 -44.669 2.028 1.00 12.30 N ATOM 0 H GLN A 46 -6.194 -41.773 4.946 1.00 10.31 H new ATOM 0 HA GLN A 46 -7.419 -44.209 6.083 1.00 44.14 H new ATOM 0 HB2 GLN A 46 -4.837 -44.175 4.548 1.00 63.52 H new ATOM 0 HB3 GLN A 46 -6.053 -45.433 4.649 1.00 63.52 H new ATOM 0 HG2 GLN A 46 -7.580 -44.072 3.242 1.00 23.43 H new ATOM 0 HG3 GLN A 46 -6.365 -42.812 3.142 1.00 23.43 H new ATOM 0 HE21 GLN A 46 -4.014 -44.279 2.797 1.00 12.30 H new ATOM 0 HE22 GLN A 46 -4.086 -45.125 1.248 1.00 12.30 H new ATOM 674 N PHE A 47 -4.679 -42.676 7.006 1.00 61.14 N ATOM 675 CA PHE A 47 -3.681 -42.582 8.064 1.00 5.03 C ATOM 676 C PHE A 47 -3.923 -41.351 8.932 1.00 5.42 C ATOM 677 O PHE A 47 -3.231 -40.338 8.824 1.00 52.44 O ATOM 678 CB PHE A 47 -2.274 -42.529 7.465 1.00 42.34 C ATOM 679 CG PHE A 47 -2.127 -43.338 6.208 1.00 61.11 C ATOM 680 CD1 PHE A 47 -2.554 -44.655 6.163 1.00 64.54 C ATOM 681 CD2 PHE A 47 -1.561 -42.782 5.072 1.00 55.41 C ATOM 682 CE1 PHE A 47 -2.420 -45.403 5.008 1.00 72.03 C ATOM 683 CE2 PHE A 47 -1.426 -43.524 3.914 1.00 1.01 C ATOM 684 CZ PHE A 47 -1.855 -44.837 3.882 1.00 4.42 C ATOM 0 H PHE A 47 -4.660 -41.905 6.339 1.00 61.14 H new ATOM 0 HA PHE A 47 -3.768 -43.470 8.691 1.00 5.03 H new ATOM 0 HB2 PHE A 47 -2.017 -41.491 7.252 1.00 42.34 H new ATOM 0 HB3 PHE A 47 -1.559 -42.889 8.205 1.00 42.34 H new ATOM 0 HD1 PHE A 47 -2.997 -45.103 7.040 1.00 64.54 H new ATOM 0 HD2 PHE A 47 -1.221 -41.757 5.092 1.00 55.41 H new ATOM 0 HE1 PHE A 47 -2.757 -46.429 4.986 1.00 72.03 H new ATOM 0 HE2 PHE A 47 -0.985 -43.078 3.035 1.00 1.01 H new ATOM 0 HZ PHE A 47 -1.749 -45.419 2.979 1.00 4.42 H new ATOM 694 N PRO A 48 -4.929 -41.438 9.815 1.00 64.00 N ATOM 695 CA PRO A 48 -5.286 -40.341 10.719 1.00 10.11 C ATOM 696 C PRO A 48 -4.231 -40.110 11.796 1.00 52.12 C ATOM 697 O PRO A 48 -3.806 -41.045 12.473 1.00 14.00 O ATOM 698 CB PRO A 48 -6.599 -40.814 11.349 1.00 4.30 C ATOM 699 CG PRO A 48 -6.547 -42.300 11.262 1.00 24.02 C ATOM 700 CD PRO A 48 -5.794 -42.615 9.999 1.00 53.01 C ATOM 0 HA PRO A 48 -5.368 -39.390 10.193 1.00 10.11 H new ATOM 0 HB2 PRO A 48 -6.684 -40.481 12.383 1.00 4.30 H new ATOM 0 HB3 PRO A 48 -7.461 -40.416 10.814 1.00 4.30 H new ATOM 0 HG2 PRO A 48 -6.045 -42.724 12.132 1.00 24.02 H new ATOM 0 HG3 PRO A 48 -7.551 -42.725 11.234 1.00 24.02 H new ATOM 0 HD2 PRO A 48 -5.211 -43.531 10.097 1.00 53.01 H new ATOM 0 HD3 PRO A 48 -6.468 -42.755 9.154 1.00 53.01 H new ATOM 708 N GLY A 49 -3.812 -38.857 11.949 1.00 75.22 N ATOM 709 CA GLY A 49 -2.811 -38.526 12.945 1.00 22.44 C ATOM 710 C GLY A 49 -1.402 -38.570 12.388 1.00 1.10 C ATOM 711 O GLY A 49 -0.515 -37.866 12.870 1.00 43.05 O ATOM 0 H GLY A 49 -4.149 -38.066 11.400 1.00 75.22 H new ATOM 0 HA2 GLY A 49 -3.011 -37.530 13.340 1.00 22.44 H new ATOM 0 HA3 GLY A 49 -2.890 -39.222 13.780 1.00 22.44 H new ATOM 715 N ALA A 50 -1.195 -39.400 11.371 1.00 21.10 N ATOM 716 CA ALA A 50 0.116 -39.532 10.748 1.00 70.44 C ATOM 717 C ALA A 50 0.675 -38.170 10.351 1.00 62.44 C ATOM 718 O ALA A 50 0.216 -37.557 9.386 1.00 35.34 O ATOM 719 CB ALA A 50 0.033 -40.445 9.533 1.00 21.43 C ATOM 0 H ALA A 50 -1.918 -39.991 10.961 1.00 21.10 H new ATOM 0 HA ALA A 50 0.794 -39.975 11.477 1.00 70.44 H new ATOM 0 HB1 ALA A 50 1.019 -40.535 9.077 1.00 21.43 H new ATOM 0 HB2 ALA A 50 -0.315 -41.431 9.842 1.00 21.43 H new ATOM 0 HB3 ALA A 50 -0.664 -40.024 8.809 1.00 21.43 H new ATOM 725 N CYS A 51 1.668 -37.703 11.099 1.00 14.34 N ATOM 726 CA CYS A 51 2.289 -36.411 10.826 1.00 34.41 C ATOM 727 C CYS A 51 3.227 -36.502 9.627 1.00 22.43 C ATOM 728 O CYS A 51 3.365 -35.551 8.860 1.00 54.32 O ATOM 729 CB CYS A 51 3.056 -35.921 12.054 1.00 25.24 C ATOM 730 SG CYS A 51 2.478 -34.335 12.702 1.00 33.55 S ATOM 0 H CYS A 51 2.061 -38.199 11.899 1.00 14.34 H new ATOM 0 HA CYS A 51 1.499 -35.697 10.593 1.00 34.41 H new ATOM 0 HB2 CYS A 51 2.979 -36.672 12.840 1.00 25.24 H new ATOM 0 HB3 CYS A 51 4.112 -35.834 11.798 1.00 25.24 H new ATOM 0 HG CYS A 51 3.187 -34.006 13.741 1.00 33.55 H new ATOM 736 N GLY A 52 3.873 -37.654 9.474 1.00 61.51 N ATOM 737 CA GLY A 52 4.792 -37.848 8.368 1.00 43.13 C ATOM 738 C GLY A 52 4.882 -39.298 7.935 1.00 4.05 C ATOM 739 O GLY A 52 4.699 -40.208 8.746 1.00 42.35 O ATOM 0 H GLY A 52 3.776 -38.456 10.096 1.00 61.51 H new ATOM 0 HA2 GLY A 52 4.472 -37.239 7.523 1.00 43.13 H new ATOM 0 HA3 GLY A 52 5.782 -37.496 8.657 1.00 43.13 H new ATOM 743 N LEU A 53 5.164 -39.516 6.656 1.00 55.34 N ATOM 744 CA LEU A 53 5.276 -40.866 6.116 1.00 71.41 C ATOM 745 C LEU A 53 6.700 -41.150 5.650 1.00 44.20 C ATOM 746 O LEU A 53 7.377 -40.269 5.120 1.00 45.12 O ATOM 747 CB LEU A 53 4.300 -41.055 4.953 1.00 32.13 C ATOM 748 CG LEU A 53 2.875 -40.549 5.184 1.00 45.01 C ATOM 749 CD1 LEU A 53 2.435 -40.827 6.612 1.00 33.55 C ATOM 750 CD2 LEU A 53 2.781 -39.062 4.875 1.00 4.21 C ATOM 0 H LEU A 53 5.319 -38.775 5.973 1.00 55.34 H new ATOM 0 HA LEU A 53 5.026 -41.569 6.910 1.00 71.41 H new ATOM 0 HB2 LEU A 53 4.707 -40.549 4.078 1.00 32.13 H new ATOM 0 HB3 LEU A 53 4.253 -42.117 4.713 1.00 32.13 H new ATOM 0 HG LEU A 53 2.206 -41.083 4.509 1.00 45.01 H new ATOM 0 HD11 LEU A 53 1.419 -40.460 6.758 1.00 33.55 H new ATOM 0 HD12 LEU A 53 2.463 -41.900 6.799 1.00 33.55 H new ATOM 0 HD13 LEU A 53 3.107 -40.320 7.305 1.00 33.55 H new ATOM 0 HD21 LEU A 53 1.760 -38.719 5.045 1.00 4.21 H new ATOM 0 HD22 LEU A 53 3.462 -38.512 5.525 1.00 4.21 H new ATOM 0 HD23 LEU A 53 3.054 -38.889 3.834 1.00 4.21 H new ATOM 762 N ARG A 54 7.148 -42.385 5.850 1.00 60.13 N ATOM 763 CA ARG A 54 8.492 -42.785 5.449 1.00 34.01 C ATOM 764 C ARG A 54 8.448 -43.671 4.207 1.00 13.33 C ATOM 765 O ARG A 54 7.388 -44.164 3.821 1.00 33.04 O ATOM 766 CB ARG A 54 9.188 -43.525 6.592 1.00 25.32 C ATOM 767 CG ARG A 54 10.640 -43.118 6.786 1.00 60.31 C ATOM 768 CD ARG A 54 10.977 -42.938 8.258 1.00 75.51 C ATOM 769 NE ARG A 54 10.882 -44.194 8.998 1.00 14.34 N ATOM 770 CZ ARG A 54 11.155 -44.306 10.293 1.00 4.44 C ATOM 771 NH1 ARG A 54 11.539 -43.243 10.987 1.00 13.05 N ATOM 772 NH2 ARG A 54 11.046 -45.482 10.897 1.00 75.33 N ATOM 0 H ARG A 54 6.600 -43.126 6.287 1.00 60.13 H new ATOM 0 HA ARG A 54 9.057 -41.884 5.211 1.00 34.01 H new ATOM 0 HB2 ARG A 54 8.642 -43.343 7.517 1.00 25.32 H new ATOM 0 HB3 ARG A 54 9.142 -44.597 6.401 1.00 25.32 H new ATOM 0 HG2 ARG A 54 11.292 -43.876 6.352 1.00 60.31 H new ATOM 0 HG3 ARG A 54 10.833 -42.188 6.251 1.00 60.31 H new ATOM 0 HD2 ARG A 54 11.986 -42.537 8.353 1.00 75.51 H new ATOM 0 HD3 ARG A 54 10.300 -42.206 8.698 1.00 75.51 H new ATOM 0 HE ARG A 54 10.590 -45.031 8.493 1.00 14.34 H new ATOM 0 HH11 ARG A 54 11.625 -42.337 10.526 1.00 13.05 H new ATOM 0 HH12 ARG A 54 11.748 -43.331 11.981 1.00 13.05 H new ATOM 0 HH21 ARG A 54 10.752 -46.302 10.367 1.00 75.33 H new ATOM 0 HH22 ARG A 54 11.256 -45.566 11.892 1.00 75.33 H new ATOM 786 N TYR A 55 9.605 -43.867 3.586 1.00 22.11 N ATOM 787 CA TYR A 55 9.699 -44.690 2.386 1.00 33.54 C ATOM 788 C TYR A 55 10.326 -46.045 2.703 1.00 53.12 C ATOM 789 O TYR A 55 11.386 -46.121 3.323 1.00 4.32 O ATOM 790 CB TYR A 55 10.520 -43.974 1.313 1.00 2.14 C ATOM 791 CG TYR A 55 9.726 -43.624 0.075 1.00 34.34 C ATOM 792 CD1 TYR A 55 9.570 -42.302 -0.323 1.00 75.43 C ATOM 793 CD2 TYR A 55 9.130 -44.615 -0.695 1.00 22.40 C ATOM 794 CE1 TYR A 55 8.844 -41.978 -1.453 1.00 71.02 C ATOM 795 CE2 TYR A 55 8.404 -44.300 -1.827 1.00 61.51 C ATOM 796 CZ TYR A 55 8.264 -42.981 -2.202 1.00 54.50 C ATOM 797 OH TYR A 55 7.540 -42.663 -3.328 1.00 52.44 O ATOM 0 H TYR A 55 10.492 -43.467 3.894 1.00 22.11 H new ATOM 0 HA TYR A 55 8.689 -44.856 2.010 1.00 33.54 H new ATOM 0 HB2 TYR A 55 10.938 -43.061 1.737 1.00 2.14 H new ATOM 0 HB3 TYR A 55 11.361 -44.607 1.028 1.00 2.14 H new ATOM 0 HD1 TYR A 55 10.024 -41.515 0.261 1.00 75.43 H new ATOM 0 HD2 TYR A 55 9.236 -45.649 -0.403 1.00 22.40 H new ATOM 0 HE1 TYR A 55 8.731 -40.945 -1.748 1.00 71.02 H new ATOM 0 HE2 TYR A 55 7.948 -45.083 -2.415 1.00 61.51 H new ATOM 0 HH TYR A 55 6.964 -43.418 -3.570 1.00 52.44 H new ATOM 807 N ARG A 56 9.662 -47.112 2.271 1.00 71.11 N ATOM 808 CA ARG A 56 10.152 -48.464 2.508 1.00 64.53 C ATOM 809 C ARG A 56 10.178 -49.268 1.211 1.00 61.30 C ATOM 810 O ARG A 56 9.159 -49.810 0.785 1.00 23.40 O ATOM 811 CB ARG A 56 9.277 -49.174 3.543 1.00 51.54 C ATOM 812 CG ARG A 56 9.447 -50.684 3.552 1.00 50.11 C ATOM 813 CD ARG A 56 10.910 -51.079 3.682 1.00 13.00 C ATOM 814 NE ARG A 56 11.088 -52.529 3.677 1.00 14.52 N ATOM 815 CZ ARG A 56 12.232 -53.129 3.984 1.00 71.54 C ATOM 816 NH1 ARG A 56 13.294 -52.410 4.318 1.00 51.51 N ATOM 817 NH2 ARG A 56 12.315 -54.454 3.956 1.00 4.55 N ATOM 0 H ARG A 56 8.783 -47.066 1.755 1.00 71.11 H new ATOM 0 HA ARG A 56 11.170 -48.392 2.892 1.00 64.53 H new ATOM 0 HB2 ARG A 56 9.512 -48.785 4.533 1.00 51.54 H new ATOM 0 HB3 ARG A 56 8.232 -48.936 3.347 1.00 51.54 H new ATOM 0 HG2 ARG A 56 8.879 -51.110 4.379 1.00 50.11 H new ATOM 0 HG3 ARG A 56 9.036 -51.103 2.634 1.00 50.11 H new ATOM 0 HD2 ARG A 56 11.478 -50.641 2.861 1.00 13.00 H new ATOM 0 HD3 ARG A 56 11.316 -50.667 4.606 1.00 13.00 H new ATOM 0 HE ARG A 56 10.290 -53.112 3.424 1.00 14.52 H new ATOM 0 HH11 ARG A 56 13.234 -51.392 4.340 1.00 51.51 H new ATOM 0 HH12 ARG A 56 14.171 -52.875 4.553 1.00 51.51 H new ATOM 0 HH21 ARG A 56 11.500 -55.011 3.699 1.00 4.55 H new ATOM 0 HH22 ARG A 56 13.194 -54.915 4.192 1.00 4.55 H new ATOM 831 N ASN A 57 11.350 -49.340 0.588 1.00 2.23 N ATOM 832 CA ASN A 57 11.508 -50.076 -0.660 1.00 65.45 C ATOM 833 C ASN A 57 12.347 -51.333 -0.448 1.00 44.13 C ATOM 834 O ASN A 57 13.542 -51.270 -0.157 1.00 0.10 O ATOM 835 CB ASN A 57 12.160 -49.188 -1.722 1.00 1.31 C ATOM 836 CG ASN A 57 11.189 -48.183 -2.311 1.00 35.22 C ATOM 837 OD1 ASN A 57 10.559 -47.413 -1.585 1.00 42.25 O ATOM 838 ND2 ASN A 57 11.062 -48.188 -3.633 1.00 0.43 N ATOM 0 H ASN A 57 12.204 -48.897 0.928 1.00 2.23 H new ATOM 0 HA ASN A 57 10.518 -50.375 -1.004 1.00 65.45 H new ATOM 0 HB2 ASN A 57 13.004 -48.658 -1.280 1.00 1.31 H new ATOM 0 HB3 ASN A 57 12.559 -49.814 -2.520 1.00 1.31 H new ATOM 0 HD21 ASN A 57 10.422 -47.536 -4.086 1.00 0.43 H new ATOM 0 HD22 ASN A 57 11.604 -48.844 -4.195 1.00 0.43 H new ATOM 845 N PRO A 58 11.709 -52.503 -0.598 1.00 50.11 N ATOM 846 CA PRO A 58 12.377 -53.797 -0.429 1.00 1.32 C ATOM 847 C PRO A 58 13.373 -54.085 -1.547 1.00 23.34 C ATOM 848 O PRO A 58 14.403 -54.723 -1.325 1.00 10.30 O ATOM 849 CB PRO A 58 11.222 -54.800 -0.470 1.00 21.45 C ATOM 850 CG PRO A 58 10.155 -54.119 -1.255 1.00 3.43 C ATOM 851 CD PRO A 58 10.286 -52.653 -0.945 1.00 13.11 C ATOM 0 HA PRO A 58 12.962 -53.837 0.490 1.00 1.32 H new ATOM 0 HB2 PRO A 58 11.526 -55.734 -0.943 1.00 21.45 H new ATOM 0 HB3 PRO A 58 10.877 -55.048 0.534 1.00 21.45 H new ATOM 0 HG2 PRO A 58 10.277 -54.305 -2.322 1.00 3.43 H new ATOM 0 HG3 PRO A 58 9.169 -54.490 -0.977 1.00 3.43 H new ATOM 0 HD2 PRO A 58 10.014 -52.035 -1.801 1.00 13.11 H new ATOM 0 HD3 PRO A 58 9.638 -52.357 -0.120 1.00 13.11 H new ATOM 859 N VAL A 59 13.061 -53.612 -2.749 1.00 14.33 N ATOM 860 CA VAL A 59 13.930 -53.818 -3.901 1.00 55.33 C ATOM 861 C VAL A 59 14.995 -52.731 -3.987 1.00 63.12 C ATOM 862 O VAL A 59 16.093 -52.962 -4.494 1.00 71.43 O ATOM 863 CB VAL A 59 13.125 -53.837 -5.214 1.00 72.24 C ATOM 864 CG1 VAL A 59 12.078 -54.941 -5.183 1.00 42.42 C ATOM 865 CG2 VAL A 59 12.477 -52.483 -5.462 1.00 31.31 C ATOM 0 H VAL A 59 12.212 -53.083 -2.950 1.00 14.33 H new ATOM 0 HA VAL A 59 14.413 -54.786 -3.765 1.00 55.33 H new ATOM 0 HB VAL A 59 13.810 -54.042 -6.037 1.00 72.24 H new ATOM 0 HG11 VAL A 59 11.519 -54.939 -6.119 1.00 42.42 H new ATOM 0 HG12 VAL A 59 12.570 -55.905 -5.056 1.00 42.42 H new ATOM 0 HG13 VAL A 59 11.394 -54.770 -4.352 1.00 42.42 H new ATOM 0 HG21 VAL A 59 11.912 -52.515 -6.394 1.00 31.31 H new ATOM 0 HG22 VAL A 59 11.804 -52.245 -4.638 1.00 31.31 H new ATOM 0 HG23 VAL A 59 13.250 -51.717 -5.532 1.00 31.31 H new ATOM 875 N SER A 60 14.664 -51.545 -3.488 1.00 5.53 N ATOM 876 CA SER A 60 15.592 -50.420 -3.511 1.00 3.22 C ATOM 877 C SER A 60 16.541 -50.474 -2.317 1.00 51.51 C ATOM 878 O SER A 60 17.683 -50.023 -2.399 1.00 0.45 O ATOM 879 CB SER A 60 14.824 -49.097 -3.507 1.00 34.14 C ATOM 880 OG SER A 60 15.577 -48.067 -4.123 1.00 71.44 O ATOM 0 H SER A 60 13.760 -51.338 -3.063 1.00 5.53 H new ATOM 0 HA SER A 60 16.182 -50.486 -4.425 1.00 3.22 H new ATOM 0 HB2 SER A 60 13.876 -49.222 -4.031 1.00 34.14 H new ATOM 0 HB3 SER A 60 14.586 -48.814 -2.481 1.00 34.14 H new ATOM 0 HG SER A 60 15.063 -47.233 -4.109 1.00 71.44 H new ATOM 886 N GLN A 61 16.058 -51.028 -1.210 1.00 70.31 N ATOM 887 CA GLN A 61 16.862 -51.141 0.001 1.00 2.50 C ATOM 888 C GLN A 61 17.518 -49.807 0.345 1.00 72.13 C ATOM 889 O GLN A 61 18.641 -49.768 0.849 1.00 70.24 O ATOM 890 CB GLN A 61 17.933 -52.220 -0.171 1.00 12.54 C ATOM 891 CG GLN A 61 17.394 -53.529 -0.724 1.00 50.44 C ATOM 892 CD GLN A 61 18.020 -54.742 -0.066 1.00 71.44 C ATOM 893 OE1 GLN A 61 19.180 -54.710 0.346 1.00 33.42 O ATOM 894 NE2 GLN A 61 17.254 -55.822 0.036 1.00 74.04 N ATOM 0 H GLN A 61 15.114 -51.406 -1.127 1.00 70.31 H new ATOM 0 HA GLN A 61 16.201 -51.423 0.821 1.00 2.50 H new ATOM 0 HB2 GLN A 61 18.710 -51.846 -0.838 1.00 12.54 H new ATOM 0 HB3 GLN A 61 18.404 -52.409 0.793 1.00 12.54 H new ATOM 0 HG2 GLN A 61 16.314 -53.561 -0.583 1.00 50.44 H new ATOM 0 HG3 GLN A 61 17.577 -53.568 -1.798 1.00 50.44 H new ATOM 0 HE21 GLN A 61 16.298 -55.805 -0.319 1.00 74.04 H new ATOM 0 HE22 GLN A 61 17.622 -56.669 0.469 1.00 74.04 H new ATOM 903 N CYS A 62 16.810 -48.717 0.069 1.00 62.32 N ATOM 904 CA CYS A 62 17.324 -47.381 0.348 1.00 62.02 C ATOM 905 C CYS A 62 16.708 -46.817 1.624 1.00 40.01 C ATOM 906 O CYS A 62 16.044 -47.533 2.373 1.00 1.31 O ATOM 907 CB CYS A 62 17.037 -46.446 -0.828 1.00 5.00 C ATOM 908 SG CYS A 62 18.477 -45.511 -1.396 1.00 2.03 S ATOM 0 H CYS A 62 15.879 -48.732 -0.347 1.00 62.32 H new ATOM 0 HA CYS A 62 18.402 -47.455 0.489 1.00 62.02 H new ATOM 0 HB2 CYS A 62 16.648 -47.034 -1.659 1.00 5.00 H new ATOM 0 HB3 CYS A 62 16.253 -45.746 -0.539 1.00 5.00 H new ATOM 0 HG CYS A 62 18.135 -44.751 -2.394 1.00 2.03 H new ATOM 914 N MET A 63 16.934 -45.530 1.865 1.00 3.22 N ATOM 915 CA MET A 63 16.401 -44.870 3.052 1.00 45.05 C ATOM 916 C MET A 63 15.655 -43.594 2.675 1.00 72.22 C ATOM 917 O MET A 63 15.693 -42.603 3.404 1.00 32.45 O ATOM 918 CB MET A 63 17.531 -44.544 4.030 1.00 10.44 C ATOM 919 CG MET A 63 17.159 -44.774 5.486 1.00 21.41 C ATOM 920 SD MET A 63 17.835 -46.313 6.140 1.00 10.21 S ATOM 921 CE MET A 63 16.526 -47.462 5.722 1.00 23.14 C ATOM 0 H MET A 63 17.482 -44.923 1.255 1.00 3.22 H new ATOM 0 HA MET A 63 15.699 -45.552 3.533 1.00 45.05 H new ATOM 0 HB2 MET A 63 18.400 -45.154 3.785 1.00 10.44 H new ATOM 0 HB3 MET A 63 17.825 -43.503 3.899 1.00 10.44 H new ATOM 0 HG2 MET A 63 17.521 -43.939 6.086 1.00 21.41 H new ATOM 0 HG3 MET A 63 16.073 -44.789 5.582 1.00 21.41 H new ATOM 0 HE1 MET A 63 16.429 -48.206 6.513 1.00 23.14 H new ATOM 0 HE2 MET A 63 15.586 -46.920 5.616 1.00 23.14 H new ATOM 0 HE3 MET A 63 16.765 -47.960 4.783 1.00 23.14 H new ATOM 931 N ARG A 64 14.977 -43.626 1.532 1.00 43.01 N ATOM 932 CA ARG A 64 14.223 -42.471 1.058 1.00 24.54 C ATOM 933 C ARG A 64 13.156 -42.067 2.071 1.00 52.22 C ATOM 934 O ARG A 64 13.081 -42.624 3.165 1.00 14.21 O ATOM 935 CB ARG A 64 13.571 -42.780 -0.291 1.00 3.23 C ATOM 936 CG ARG A 64 13.685 -41.645 -1.296 1.00 32.15 C ATOM 937 CD ARG A 64 12.403 -41.481 -2.097 1.00 42.24 C ATOM 938 NE ARG A 64 12.640 -41.580 -3.535 1.00 5.30 N ATOM 939 CZ ARG A 64 12.760 -42.733 -4.182 1.00 62.44 C ATOM 940 NH1 ARG A 64 12.665 -43.880 -3.524 1.00 32.13 N ATOM 941 NH2 ARG A 64 12.975 -42.742 -5.492 1.00 4.42 N ATOM 0 H ARG A 64 14.934 -44.439 0.917 1.00 43.01 H new ATOM 0 HA ARG A 64 14.917 -41.639 0.936 1.00 24.54 H new ATOM 0 HB2 ARG A 64 14.031 -43.674 -0.711 1.00 3.23 H new ATOM 0 HB3 ARG A 64 12.517 -43.009 -0.132 1.00 3.23 H new ATOM 0 HG2 ARG A 64 13.910 -40.716 -0.773 1.00 32.15 H new ATOM 0 HG3 ARG A 64 14.517 -41.839 -1.973 1.00 32.15 H new ATOM 0 HD2 ARG A 64 11.686 -42.244 -1.794 1.00 42.24 H new ATOM 0 HD3 ARG A 64 11.954 -40.514 -1.869 1.00 42.24 H new ATOM 0 HE ARG A 64 12.718 -40.716 -4.071 1.00 5.30 H new ATOM 0 HH11 ARG A 64 12.499 -43.878 -2.518 1.00 32.13 H new ATOM 0 HH12 ARG A 64 12.758 -44.764 -4.024 1.00 32.13 H new ATOM 0 HH21 ARG A 64 13.048 -41.862 -6.003 1.00 4.42 H new ATOM 0 HH22 ARG A 64 13.067 -43.629 -5.988 1.00 4.42 H new ATOM 955 N GLY A 65 12.332 -41.092 1.697 1.00 31.30 N ATOM 956 CA GLY A 65 11.280 -40.629 2.583 1.00 24.25 C ATOM 957 C GLY A 65 10.332 -39.663 1.902 1.00 13.24 C ATOM 958 O GLY A 65 10.756 -38.812 1.121 1.00 42.24 O ATOM 0 H GLY A 65 12.375 -40.615 0.796 1.00 31.30 H new ATOM 0 HA2 GLY A 65 10.717 -41.486 2.952 1.00 24.25 H new ATOM 0 HA3 GLY A 65 11.727 -40.144 3.450 1.00 24.25 H new ATOM 962 N VAL A 66 9.042 -39.794 2.198 1.00 64.41 N ATOM 963 CA VAL A 66 8.030 -38.926 1.608 1.00 64.20 C ATOM 964 C VAL A 66 8.144 -37.505 2.147 1.00 14.24 C ATOM 965 O VAL A 66 8.053 -37.279 3.354 1.00 13.02 O ATOM 966 CB VAL A 66 6.610 -39.455 1.880 1.00 74.12 C ATOM 967 CG1 VAL A 66 5.567 -38.483 1.349 1.00 41.01 C ATOM 968 CG2 VAL A 66 6.428 -40.834 1.263 1.00 13.12 C ATOM 0 H VAL A 66 8.674 -40.493 2.843 1.00 64.41 H new ATOM 0 HA VAL A 66 8.206 -38.918 0.532 1.00 64.20 H new ATOM 0 HB VAL A 66 6.474 -39.543 2.958 1.00 74.12 H new ATOM 0 HG11 VAL A 66 4.570 -38.874 1.550 1.00 41.01 H new ATOM 0 HG12 VAL A 66 5.685 -37.518 1.842 1.00 41.01 H new ATOM 0 HG13 VAL A 66 5.698 -38.360 0.274 1.00 41.01 H new ATOM 0 HG21 VAL A 66 5.419 -41.193 1.465 1.00 13.12 H new ATOM 0 HG22 VAL A 66 6.583 -40.774 0.186 1.00 13.12 H new ATOM 0 HG23 VAL A 66 7.152 -41.525 1.696 1.00 13.12 H new ATOM 978 N ARG A 67 8.342 -36.549 1.245 1.00 20.51 N ATOM 979 CA ARG A 67 8.468 -35.149 1.630 1.00 24.14 C ATOM 980 C ARG A 67 7.116 -34.574 2.041 1.00 51.25 C ATOM 981 O ARG A 67 6.089 -34.882 1.434 1.00 14.44 O ATOM 982 CB ARG A 67 9.054 -34.332 0.477 1.00 12.44 C ATOM 983 CG ARG A 67 9.081 -32.836 0.744 1.00 43.50 C ATOM 984 CD ARG A 67 10.049 -32.487 1.864 1.00 13.12 C ATOM 985 NE ARG A 67 9.583 -31.351 2.656 1.00 61.50 N ATOM 986 CZ ARG A 67 10.377 -30.622 3.432 1.00 32.02 C ATOM 987 NH1 ARG A 67 11.669 -30.908 3.520 1.00 55.41 N ATOM 988 NH2 ARG A 67 9.879 -29.604 4.122 1.00 13.03 N ATOM 0 H ARG A 67 8.419 -36.719 0.242 1.00 20.51 H new ATOM 0 HA ARG A 67 9.142 -35.092 2.485 1.00 24.14 H new ATOM 0 HB2 ARG A 67 10.069 -34.676 0.278 1.00 12.44 H new ATOM 0 HB3 ARG A 67 8.471 -34.521 -0.424 1.00 12.44 H new ATOM 0 HG2 ARG A 67 9.369 -32.308 -0.165 1.00 43.50 H new ATOM 0 HG3 ARG A 67 8.080 -32.494 1.007 1.00 43.50 H new ATOM 0 HD2 ARG A 67 10.179 -33.353 2.513 1.00 13.12 H new ATOM 0 HD3 ARG A 67 11.026 -32.257 1.440 1.00 13.12 H new ATOM 0 HE ARG A 67 8.594 -31.104 2.610 1.00 61.50 H new ATOM 0 HH11 ARG A 67 12.055 -31.690 2.991 1.00 55.41 H new ATOM 0 HH12 ARG A 67 12.276 -30.346 4.117 1.00 55.41 H new ATOM 0 HH21 ARG A 67 8.886 -29.381 4.057 1.00 13.03 H new ATOM 0 HH22 ARG A 67 10.489 -29.045 4.718 1.00 13.03 H new ATOM 1002 N LEU A 68 7.123 -33.738 3.073 1.00 50.00 N ATOM 1003 CA LEU A 68 5.897 -33.120 3.565 1.00 12.51 C ATOM 1004 C LEU A 68 6.066 -31.610 3.705 1.00 63.14 C ATOM 1005 O LEU A 68 6.926 -31.137 4.448 1.00 64.42 O ATOM 1006 CB LEU A 68 5.501 -33.727 4.912 1.00 2.53 C ATOM 1007 CG LEU A 68 4.289 -33.099 5.601 1.00 3.55 C ATOM 1008 CD1 LEU A 68 4.706 -31.877 6.406 1.00 61.02 C ATOM 1009 CD2 LEU A 68 3.226 -32.728 4.578 1.00 42.13 C ATOM 0 H LEU A 68 7.964 -33.472 3.585 1.00 50.00 H new ATOM 0 HA LEU A 68 5.106 -33.313 2.840 1.00 12.51 H new ATOM 0 HB2 LEU A 68 5.301 -34.788 4.765 1.00 2.53 H new ATOM 0 HB3 LEU A 68 6.355 -33.654 5.586 1.00 2.53 H new ATOM 0 HG LEU A 68 3.865 -33.833 6.286 1.00 3.55 H new ATOM 0 HD11 LEU A 68 3.830 -31.443 6.889 1.00 61.02 H new ATOM 0 HD12 LEU A 68 5.431 -32.171 7.165 1.00 61.02 H new ATOM 0 HD13 LEU A 68 5.156 -31.140 5.741 1.00 61.02 H new ATOM 0 HD21 LEU A 68 2.371 -32.283 5.087 1.00 42.13 H new ATOM 0 HD22 LEU A 68 3.639 -32.012 3.868 1.00 42.13 H new ATOM 0 HD23 LEU A 68 2.905 -33.623 4.046 1.00 42.13 H new ATOM 1021 N VAL A 69 5.239 -30.858 2.986 1.00 15.13 N ATOM 1022 CA VAL A 69 5.294 -29.402 3.032 1.00 2.43 C ATOM 1023 C VAL A 69 3.894 -28.799 3.056 1.00 42.42 C ATOM 1024 O VAL A 69 3.094 -29.027 2.149 1.00 25.41 O ATOM 1025 CB VAL A 69 6.067 -28.831 1.828 1.00 31.21 C ATOM 1026 CG1 VAL A 69 5.530 -29.408 0.527 1.00 22.42 C ATOM 1027 CG2 VAL A 69 5.991 -27.312 1.818 1.00 1.13 C ATOM 0 H VAL A 69 4.523 -31.233 2.364 1.00 15.13 H new ATOM 0 HA VAL A 69 5.817 -29.134 3.950 1.00 2.43 H new ATOM 0 HB VAL A 69 7.114 -29.119 1.921 1.00 31.21 H new ATOM 0 HG11 VAL A 69 6.088 -28.993 -0.313 1.00 22.42 H new ATOM 0 HG12 VAL A 69 5.641 -30.492 0.537 1.00 22.42 H new ATOM 0 HG13 VAL A 69 4.475 -29.152 0.423 1.00 22.42 H new ATOM 0 HG21 VAL A 69 6.542 -26.926 0.961 1.00 1.13 H new ATOM 0 HG22 VAL A 69 4.949 -27.000 1.749 1.00 1.13 H new ATOM 0 HG23 VAL A 69 6.427 -26.920 2.737 1.00 1.13 H new ATOM 1037 N GLU A 70 3.606 -28.027 4.099 1.00 54.31 N ATOM 1038 CA GLU A 70 2.301 -27.391 4.240 1.00 1.21 C ATOM 1039 C GLU A 70 1.193 -28.436 4.330 1.00 21.24 C ATOM 1040 O GLU A 70 0.049 -28.178 3.958 1.00 64.33 O ATOM 1041 CB GLU A 70 2.036 -26.452 3.061 1.00 5.23 C ATOM 1042 CG GLU A 70 3.135 -25.425 2.842 1.00 30.15 C ATOM 1043 CD GLU A 70 3.078 -24.287 3.843 1.00 31.32 C ATOM 1044 OE1 GLU A 70 2.634 -23.184 3.461 1.00 22.04 O ATOM 1045 OE2 GLU A 70 3.477 -24.500 5.007 1.00 13.43 O ATOM 0 H GLU A 70 4.258 -27.827 4.858 1.00 54.31 H new ATOM 0 HA GLU A 70 2.306 -26.811 5.163 1.00 1.21 H new ATOM 0 HB2 GLU A 70 1.919 -27.045 2.154 1.00 5.23 H new ATOM 0 HB3 GLU A 70 1.092 -25.932 3.226 1.00 5.23 H new ATOM 0 HG2 GLU A 70 4.105 -25.916 2.911 1.00 30.15 H new ATOM 0 HG3 GLU A 70 3.054 -25.021 1.833 1.00 30.15 H new ATOM 1052 N GLY A 71 1.542 -29.619 4.828 1.00 2.21 N ATOM 1053 CA GLY A 71 0.567 -30.686 4.958 1.00 64.00 C ATOM 1054 C GLY A 71 0.494 -31.558 3.720 1.00 13.31 C ATOM 1055 O GLY A 71 0.127 -32.731 3.800 1.00 43.41 O ATOM 0 H GLY A 71 2.482 -29.857 5.144 1.00 2.21 H new ATOM 0 HA2 GLY A 71 0.821 -31.304 5.819 1.00 64.00 H new ATOM 0 HA3 GLY A 71 -0.415 -30.255 5.154 1.00 64.00 H new ATOM 1059 N ILE A 72 0.841 -30.984 2.573 1.00 73.01 N ATOM 1060 CA ILE A 72 0.811 -31.717 1.313 1.00 4.13 C ATOM 1061 C ILE A 72 2.034 -32.617 1.173 1.00 61.25 C ATOM 1062 O ILE A 72 3.170 -32.142 1.159 1.00 64.03 O ATOM 1063 CB ILE A 72 0.750 -30.761 0.107 1.00 30.12 C ATOM 1064 CG1 ILE A 72 -0.497 -29.878 0.191 1.00 22.24 C ATOM 1065 CG2 ILE A 72 0.761 -31.549 -1.194 1.00 74.21 C ATOM 1066 CD1 ILE A 72 -0.186 -28.401 0.289 1.00 64.10 C ATOM 0 H ILE A 72 1.146 -30.014 2.490 1.00 73.01 H new ATOM 0 HA ILE A 72 -0.090 -32.331 1.325 1.00 4.13 H new ATOM 0 HB ILE A 72 1.630 -30.118 0.127 1.00 30.12 H new ATOM 0 HG12 ILE A 72 -1.116 -30.053 -0.689 1.00 22.24 H new ATOM 0 HG13 ILE A 72 -1.085 -30.176 1.059 1.00 22.24 H new ATOM 0 HG21 ILE A 72 0.717 -30.860 -2.037 1.00 74.21 H new ATOM 0 HG22 ILE A 72 1.676 -32.139 -1.254 1.00 74.21 H new ATOM 0 HG23 ILE A 72 -0.102 -32.214 -1.224 1.00 74.21 H new ATOM 0 HD11 ILE A 72 -1.117 -27.836 0.345 1.00 64.10 H new ATOM 0 HD12 ILE A 72 0.407 -28.213 1.184 1.00 64.10 H new ATOM 0 HD13 ILE A 72 0.376 -28.088 -0.591 1.00 64.10 H new ATOM 1078 N LEU A 73 1.794 -33.919 1.066 1.00 32.44 N ATOM 1079 CA LEU A 73 2.876 -34.888 0.924 1.00 15.12 C ATOM 1080 C LEU A 73 3.416 -34.895 -0.502 1.00 72.32 C ATOM 1081 O LEU A 73 2.759 -35.381 -1.424 1.00 30.14 O ATOM 1082 CB LEU A 73 2.387 -36.287 1.304 1.00 1.21 C ATOM 1083 CG LEU A 73 2.216 -36.555 2.800 1.00 41.03 C ATOM 1084 CD1 LEU A 73 3.519 -36.299 3.540 1.00 3.54 C ATOM 1085 CD2 LEU A 73 1.098 -35.696 3.371 1.00 13.31 C ATOM 0 H LEU A 73 0.860 -34.329 1.075 1.00 32.44 H new ATOM 0 HA LEU A 73 3.683 -34.597 1.597 1.00 15.12 H new ATOM 0 HB2 LEU A 73 1.430 -36.462 0.812 1.00 1.21 H new ATOM 0 HB3 LEU A 73 3.090 -37.017 0.902 1.00 1.21 H new ATOM 0 HG LEU A 73 1.946 -37.603 2.934 1.00 41.03 H new ATOM 0 HD11 LEU A 73 3.378 -36.495 4.603 1.00 3.54 H new ATOM 0 HD12 LEU A 73 4.295 -36.958 3.149 1.00 3.54 H new ATOM 0 HD13 LEU A 73 3.820 -35.261 3.399 1.00 3.54 H new ATOM 0 HD21 LEU A 73 0.990 -35.900 4.436 1.00 13.31 H new ATOM 0 HD22 LEU A 73 1.338 -34.643 3.225 1.00 13.31 H new ATOM 0 HD23 LEU A 73 0.163 -35.929 2.861 1.00 13.31 H new ATOM 1097 N HIS A 74 4.618 -34.355 -0.677 1.00 72.31 N ATOM 1098 CA HIS A 74 5.248 -34.302 -1.991 1.00 62.33 C ATOM 1099 C HIS A 74 5.863 -35.651 -2.354 1.00 10.22 C ATOM 1100 O HIS A 74 6.309 -36.395 -1.481 1.00 73.22 O ATOM 1101 CB HIS A 74 6.322 -33.214 -2.022 1.00 22.43 C ATOM 1102 CG HIS A 74 6.207 -32.292 -3.196 1.00 3.10 C ATOM 1103 ND1 HIS A 74 6.239 -32.730 -4.503 1.00 50.01 N ATOM 1104 CD2 HIS A 74 6.058 -30.948 -3.255 1.00 4.13 C ATOM 1105 CE1 HIS A 74 6.116 -31.695 -5.315 1.00 63.10 C ATOM 1106 NE2 HIS A 74 6.005 -30.602 -4.582 1.00 54.35 N ATOM 0 H HIS A 74 5.175 -33.948 0.075 1.00 72.31 H new ATOM 0 HA HIS A 74 4.479 -34.064 -2.726 1.00 62.33 H new ATOM 0 HB2 HIS A 74 6.262 -32.629 -1.104 1.00 22.43 H new ATOM 0 HB3 HIS A 74 7.305 -33.685 -2.036 1.00 22.43 H new ATOM 0 HD2 HIS A 74 5.993 -30.273 -2.414 1.00 4.13 H new ATOM 0 HE1 HIS A 74 6.108 -31.736 -6.394 1.00 63.10 H new ATOM 0 HE2 HIS A 74 5.897 -29.654 -4.944 1.00 54.35 H new ATOM 1114 N ALA A 75 5.882 -35.958 -3.647 1.00 24.54 N ATOM 1115 CA ALA A 75 6.443 -37.216 -4.124 1.00 62.31 C ATOM 1116 C ALA A 75 7.881 -37.032 -4.596 1.00 45.11 C ATOM 1117 O ALA A 75 8.304 -35.935 -4.964 1.00 30.44 O ATOM 1118 CB ALA A 75 5.586 -37.784 -5.246 1.00 23.22 C ATOM 0 H ALA A 75 5.516 -35.353 -4.382 1.00 24.54 H new ATOM 0 HA ALA A 75 6.449 -37.921 -3.293 1.00 62.31 H new ATOM 0 HB1 ALA A 75 6.017 -38.723 -5.593 1.00 23.22 H new ATOM 0 HB2 ALA A 75 4.576 -37.962 -4.878 1.00 23.22 H new ATOM 0 HB3 ALA A 75 5.551 -37.074 -6.072 1.00 23.22 H new ATOM 1124 N PRO A 76 8.654 -38.129 -4.586 1.00 55.33 N ATOM 1125 CA PRO A 76 10.057 -38.113 -5.010 1.00 53.14 C ATOM 1126 C PRO A 76 10.206 -37.902 -6.513 1.00 74.23 C ATOM 1127 O PRO A 76 9.225 -37.651 -7.215 1.00 24.43 O ATOM 1128 CB PRO A 76 10.563 -39.501 -4.612 1.00 62.43 C ATOM 1129 CG PRO A 76 9.345 -40.360 -4.599 1.00 45.51 C ATOM 1130 CD PRO A 76 8.216 -39.469 -4.161 1.00 0.22 C ATOM 0 HA PRO A 76 10.612 -37.294 -4.552 1.00 53.14 H new ATOM 0 HB2 PRO A 76 11.301 -39.872 -5.323 1.00 62.43 H new ATOM 0 HB3 PRO A 76 11.044 -39.481 -3.634 1.00 62.43 H new ATOM 0 HG2 PRO A 76 9.152 -40.778 -5.587 1.00 45.51 H new ATOM 0 HG3 PRO A 76 9.467 -41.200 -3.915 1.00 45.51 H new ATOM 0 HD2 PRO A 76 7.275 -39.752 -4.632 1.00 0.22 H new ATOM 0 HD3 PRO A 76 8.060 -39.518 -3.083 1.00 0.22 H new ATOM 1138 N ASP A 77 11.437 -38.006 -7.001 1.00 73.13 N ATOM 1139 CA ASP A 77 11.714 -37.828 -8.422 1.00 74.41 C ATOM 1140 C ASP A 77 11.343 -39.082 -9.209 1.00 0.22 C ATOM 1141 O ASP A 77 11.461 -39.115 -10.433 1.00 70.42 O ATOM 1142 CB ASP A 77 13.190 -37.494 -8.638 1.00 3.22 C ATOM 1143 CG ASP A 77 13.505 -36.042 -8.336 1.00 0.11 C ATOM 1144 OD1 ASP A 77 14.142 -35.383 -9.185 1.00 20.51 O ATOM 1145 OD2 ASP A 77 13.114 -35.564 -7.251 1.00 14.41 O ATOM 0 H ASP A 77 12.259 -38.213 -6.434 1.00 73.13 H new ATOM 0 HA ASP A 77 11.106 -36.999 -8.784 1.00 74.41 H new ATOM 0 HB2 ASP A 77 13.801 -38.135 -8.003 1.00 3.22 H new ATOM 0 HB3 ASP A 77 13.462 -37.715 -9.670 1.00 3.22 H new ATOM 1150 N ALA A 78 10.896 -40.111 -8.496 1.00 54.34 N ATOM 1151 CA ALA A 78 10.507 -41.366 -9.128 1.00 1.31 C ATOM 1152 C ALA A 78 8.996 -41.561 -9.077 1.00 54.11 C ATOM 1153 O ALA A 78 8.420 -42.248 -9.920 1.00 11.30 O ATOM 1154 CB ALA A 78 11.215 -42.535 -8.459 1.00 0.52 C ATOM 0 H ALA A 78 10.794 -40.100 -7.481 1.00 54.34 H new ATOM 0 HA ALA A 78 10.806 -41.325 -10.175 1.00 1.31 H new ATOM 0 HB1 ALA A 78 10.915 -43.466 -8.941 1.00 0.52 H new ATOM 0 HB2 ALA A 78 12.294 -42.409 -8.553 1.00 0.52 H new ATOM 0 HB3 ALA A 78 10.944 -42.569 -7.404 1.00 0.52 H new ATOM 1160 N GLY A 79 8.358 -40.952 -8.082 1.00 31.44 N ATOM 1161 CA GLY A 79 6.919 -41.073 -7.939 1.00 53.22 C ATOM 1162 C GLY A 79 6.520 -41.779 -6.659 1.00 32.04 C ATOM 1163 O GLY A 79 7.375 -42.160 -5.860 1.00 4.54 O ATOM 0 H GLY A 79 8.812 -40.377 -7.372 1.00 31.44 H new ATOM 0 HA2 GLY A 79 6.471 -40.080 -7.957 1.00 53.22 H new ATOM 0 HA3 GLY A 79 6.517 -41.620 -8.792 1.00 53.22 H new ATOM 1167 N TRP A 80 5.218 -41.953 -6.462 1.00 60.10 N ATOM 1168 CA TRP A 80 4.708 -42.617 -5.268 1.00 14.12 C ATOM 1169 C TRP A 80 5.050 -44.103 -5.283 1.00 14.32 C ATOM 1170 O TRP A 80 5.716 -44.605 -4.379 1.00 33.13 O ATOM 1171 CB TRP A 80 3.193 -42.431 -5.164 1.00 1.44 C ATOM 1172 CG TRP A 80 2.788 -41.023 -4.848 1.00 2.53 C ATOM 1173 CD1 TRP A 80 2.023 -40.197 -5.621 1.00 14.15 C ATOM 1174 CD2 TRP A 80 3.130 -40.275 -3.675 1.00 73.31 C ATOM 1175 NE1 TRP A 80 1.868 -38.981 -4.999 1.00 74.20 N ATOM 1176 CE2 TRP A 80 2.536 -39.004 -3.804 1.00 23.22 C ATOM 1177 CE3 TRP A 80 3.877 -40.557 -2.528 1.00 51.33 C ATOM 1178 CZ2 TRP A 80 2.670 -38.019 -2.829 1.00 54.22 C ATOM 1179 CZ3 TRP A 80 4.008 -39.578 -1.562 1.00 45.52 C ATOM 1180 CH2 TRP A 80 3.407 -38.322 -1.717 1.00 12.52 C ATOM 0 H TRP A 80 4.497 -41.644 -7.113 1.00 60.10 H new ATOM 0 HA TRP A 80 5.184 -42.163 -4.399 1.00 14.12 H new ATOM 0 HB2 TRP A 80 2.732 -42.732 -6.105 1.00 1.44 H new ATOM 0 HB3 TRP A 80 2.805 -43.095 -4.392 1.00 1.44 H new ATOM 0 HD1 TRP A 80 1.602 -40.460 -6.580 1.00 14.15 H new ATOM 0 HE1 TRP A 80 1.341 -38.190 -5.368 1.00 74.20 H new ATOM 0 HE3 TRP A 80 4.343 -41.523 -2.399 1.00 51.33 H new ATOM 0 HZ2 TRP A 80 2.208 -37.050 -2.947 1.00 54.22 H new ATOM 0 HZ3 TRP A 80 4.584 -39.785 -0.672 1.00 45.52 H new ATOM 0 HH2 TRP A 80 3.528 -37.578 -0.943 1.00 12.52 H new ATOM 1191 N GLY A 81 4.589 -44.801 -6.316 1.00 63.52 N ATOM 1192 CA GLY A 81 4.857 -46.223 -6.429 1.00 23.34 C ATOM 1193 C GLY A 81 3.877 -47.063 -5.634 1.00 54.31 C ATOM 1194 O GLY A 81 2.826 -46.575 -5.219 1.00 61.32 O ATOM 0 H GLY A 81 4.035 -44.407 -7.077 1.00 63.52 H new ATOM 0 HA2 GLY A 81 4.814 -46.515 -7.478 1.00 23.34 H new ATOM 0 HA3 GLY A 81 5.870 -46.427 -6.083 1.00 23.34 H new ATOM 1198 N ASN A 82 4.220 -48.329 -5.423 1.00 74.41 N ATOM 1199 CA ASN A 82 3.360 -49.239 -4.675 1.00 20.42 C ATOM 1200 C ASN A 82 4.136 -49.921 -3.552 1.00 1.33 C ATOM 1201 O ASN A 82 3.877 -51.077 -3.216 1.00 62.31 O ATOM 1202 CB ASN A 82 2.762 -50.293 -5.609 1.00 21.30 C ATOM 1203 CG ASN A 82 2.482 -49.745 -6.995 1.00 33.11 C ATOM 1204 OD1 ASN A 82 1.386 -49.007 -7.128 1.00 14.51 O flip ATOM 1205 ND2 ASN A 82 3.242 -49.983 -7.934 1.00 51.04 N flip ATOM 0 H ASN A 82 5.087 -48.748 -5.759 1.00 74.41 H new ATOM 0 HA ASN A 82 2.553 -48.655 -4.233 1.00 20.42 H new ATOM 0 HB2 ASN A 82 3.448 -51.137 -5.687 1.00 21.30 H new ATOM 0 HB3 ASN A 82 1.836 -50.673 -5.178 1.00 21.30 H new ATOM 0 HD21 ASN A 82 4.073 -50.555 -7.785 1.00 51.04 H new ATOM 0 HD22 ASN A 82 3.041 -49.608 -8.861 1.00 51.04 H new ATOM 1212 N LEU A 83 5.088 -49.196 -2.974 1.00 31.30 N ATOM 1213 CA LEU A 83 5.902 -49.730 -1.887 1.00 42.24 C ATOM 1214 C LEU A 83 5.241 -49.477 -0.536 1.00 74.15 C ATOM 1215 O LEU A 83 4.128 -48.955 -0.466 1.00 42.42 O ATOM 1216 CB LEU A 83 7.296 -49.100 -1.911 1.00 51.25 C ATOM 1217 CG LEU A 83 7.345 -47.586 -2.119 1.00 54.32 C ATOM 1218 CD1 LEU A 83 7.257 -47.247 -3.599 1.00 52.21 C ATOM 1219 CD2 LEU A 83 6.224 -46.905 -1.347 1.00 32.21 C ATOM 0 H LEU A 83 5.315 -48.238 -3.240 1.00 31.30 H new ATOM 0 HA LEU A 83 5.993 -50.807 -2.030 1.00 42.24 H new ATOM 0 HB2 LEU A 83 7.795 -49.334 -0.970 1.00 51.25 H new ATOM 0 HB3 LEU A 83 7.874 -49.574 -2.704 1.00 51.25 H new ATOM 0 HG LEU A 83 8.298 -47.217 -1.739 1.00 54.32 H new ATOM 0 HD11 LEU A 83 7.293 -46.165 -3.727 1.00 52.21 H new ATOM 0 HD12 LEU A 83 8.094 -47.703 -4.127 1.00 52.21 H new ATOM 0 HD13 LEU A 83 6.320 -47.629 -4.005 1.00 52.21 H new ATOM 0 HD21 LEU A 83 6.274 -45.828 -1.507 1.00 32.21 H new ATOM 0 HD22 LEU A 83 5.262 -47.279 -1.697 1.00 32.21 H new ATOM 0 HD23 LEU A 83 6.332 -47.120 -0.284 1.00 32.21 H new ATOM 1231 N VAL A 84 5.934 -49.850 0.535 1.00 54.30 N ATOM 1232 CA VAL A 84 5.415 -49.661 1.885 1.00 42.55 C ATOM 1233 C VAL A 84 5.893 -48.339 2.476 1.00 32.35 C ATOM 1234 O VAL A 84 6.887 -47.769 2.027 1.00 41.11 O ATOM 1235 CB VAL A 84 5.841 -50.811 2.816 1.00 74.33 C ATOM 1236 CG1 VAL A 84 5.018 -50.795 4.095 1.00 70.20 C ATOM 1237 CG2 VAL A 84 5.708 -52.149 2.104 1.00 41.04 C ATOM 0 H VAL A 84 6.856 -50.285 0.494 1.00 54.30 H new ATOM 0 HA VAL A 84 4.328 -49.650 1.808 1.00 42.55 H new ATOM 0 HB VAL A 84 6.888 -50.670 3.084 1.00 74.33 H new ATOM 0 HG11 VAL A 84 5.333 -51.615 4.741 1.00 70.20 H new ATOM 0 HG12 VAL A 84 5.168 -49.847 4.612 1.00 70.20 H new ATOM 0 HG13 VAL A 84 3.962 -50.911 3.850 1.00 70.20 H new ATOM 0 HG21 VAL A 84 6.013 -52.951 2.776 1.00 41.04 H new ATOM 0 HG22 VAL A 84 4.671 -52.301 1.805 1.00 41.04 H new ATOM 0 HG23 VAL A 84 6.345 -52.155 1.219 1.00 41.04 H new ATOM 1247 N TYR A 85 5.179 -47.858 3.488 1.00 74.13 N ATOM 1248 CA TYR A 85 5.528 -46.602 4.141 1.00 61.30 C ATOM 1249 C TYR A 85 5.457 -46.740 5.659 1.00 43.52 C ATOM 1250 O TYR A 85 4.626 -47.477 6.189 1.00 1.32 O ATOM 1251 CB TYR A 85 4.595 -45.484 3.675 1.00 51.42 C ATOM 1252 CG TYR A 85 3.458 -45.205 4.632 1.00 5.43 C ATOM 1253 CD1 TYR A 85 2.200 -45.756 4.426 1.00 14.43 C ATOM 1254 CD2 TYR A 85 3.643 -44.390 5.742 1.00 1.42 C ATOM 1255 CE1 TYR A 85 1.158 -45.503 5.298 1.00 30.01 C ATOM 1256 CE2 TYR A 85 2.608 -44.133 6.620 1.00 52.20 C ATOM 1257 CZ TYR A 85 1.367 -44.692 6.394 1.00 42.44 C ATOM 1258 OH TYR A 85 0.333 -44.437 7.265 1.00 71.02 O ATOM 0 H TYR A 85 4.355 -48.319 3.874 1.00 74.13 H new ATOM 0 HA TYR A 85 6.552 -46.350 3.864 1.00 61.30 H new ATOM 0 HB2 TYR A 85 5.175 -44.572 3.538 1.00 51.42 H new ATOM 0 HB3 TYR A 85 4.183 -45.749 2.701 1.00 51.42 H new ATOM 0 HD1 TYR A 85 2.033 -46.393 3.570 1.00 14.43 H new ATOM 0 HD2 TYR A 85 4.613 -43.950 5.921 1.00 1.42 H new ATOM 0 HE1 TYR A 85 0.185 -45.938 5.122 1.00 30.01 H new ATOM 0 HE2 TYR A 85 2.769 -43.498 7.479 1.00 52.20 H new ATOM 0 HH TYR A 85 -0.522 -44.538 6.797 1.00 71.02 H new ATOM 1268 N VAL A 86 6.336 -46.023 6.353 1.00 52.01 N ATOM 1269 CA VAL A 86 6.373 -46.062 7.810 1.00 63.01 C ATOM 1270 C VAL A 86 5.872 -44.752 8.408 1.00 73.42 C ATOM 1271 O VAL A 86 6.439 -43.688 8.162 1.00 12.31 O ATOM 1272 CB VAL A 86 7.798 -46.338 8.327 1.00 14.24 C ATOM 1273 CG1 VAL A 86 7.821 -46.347 9.848 1.00 13.13 C ATOM 1274 CG2 VAL A 86 8.321 -47.653 7.770 1.00 2.21 C ATOM 0 H VAL A 86 7.031 -45.409 5.930 1.00 52.01 H new ATOM 0 HA VAL A 86 5.717 -46.874 8.122 1.00 63.01 H new ATOM 0 HB VAL A 86 8.453 -45.538 7.982 1.00 14.24 H new ATOM 0 HG11 VAL A 86 8.835 -46.543 10.195 1.00 13.13 H new ATOM 0 HG12 VAL A 86 7.490 -45.378 10.223 1.00 13.13 H new ATOM 0 HG13 VAL A 86 7.154 -47.126 10.217 1.00 13.13 H new ATOM 0 HG21 VAL A 86 9.329 -47.832 8.145 1.00 2.21 H new ATOM 0 HG22 VAL A 86 7.667 -48.467 8.083 1.00 2.21 H new ATOM 0 HG23 VAL A 86 8.343 -47.604 6.681 1.00 2.21 H new ATOM 1284 N VAL A 87 4.804 -44.838 9.195 1.00 23.34 N ATOM 1285 CA VAL A 87 4.226 -43.660 9.831 1.00 63.13 C ATOM 1286 C VAL A 87 5.240 -42.972 10.737 1.00 2.44 C ATOM 1287 O VAL A 87 6.207 -43.587 11.185 1.00 72.34 O ATOM 1288 CB VAL A 87 2.978 -44.024 10.657 1.00 4.53 C ATOM 1289 CG1 VAL A 87 1.798 -44.314 9.743 1.00 40.11 C ATOM 1290 CG2 VAL A 87 3.267 -45.211 11.563 1.00 70.54 C ATOM 0 H VAL A 87 4.322 -45.711 9.407 1.00 23.34 H new ATOM 0 HA VAL A 87 3.937 -42.978 9.032 1.00 63.13 H new ATOM 0 HB VAL A 87 2.718 -43.172 11.285 1.00 4.53 H new ATOM 0 HG11 VAL A 87 0.926 -44.569 10.345 1.00 40.11 H new ATOM 0 HG12 VAL A 87 1.578 -43.432 9.141 1.00 40.11 H new ATOM 0 HG13 VAL A 87 2.043 -45.149 9.087 1.00 40.11 H new ATOM 0 HG21 VAL A 87 2.374 -45.455 12.139 1.00 70.54 H new ATOM 0 HG22 VAL A 87 3.553 -46.070 10.957 1.00 70.54 H new ATOM 0 HG23 VAL A 87 4.081 -44.960 12.243 1.00 70.54 H new ATOM 1300 N ASN A 88 5.012 -41.690 11.005 1.00 11.11 N ATOM 1301 CA ASN A 88 5.906 -40.916 11.859 1.00 31.42 C ATOM 1302 C ASN A 88 5.126 -39.891 12.676 1.00 52.43 C ATOM 1303 O ASN A 88 4.353 -39.104 12.128 1.00 3.52 O ATOM 1304 CB ASN A 88 6.968 -40.211 11.014 1.00 5.22 C ATOM 1305 CG ASN A 88 8.223 -39.898 11.806 1.00 1.35 C ATOM 1306 OD1 ASN A 88 8.526 -40.561 12.798 1.00 20.03 O ATOM 1307 ND2 ASN A 88 8.960 -38.882 11.371 1.00 75.10 N ATOM 0 H ASN A 88 4.216 -41.165 10.643 1.00 11.11 H new ATOM 0 HA ASN A 88 6.397 -41.604 12.547 1.00 31.42 H new ATOM 0 HB2 ASN A 88 7.227 -40.840 10.162 1.00 5.22 H new ATOM 0 HB3 ASN A 88 6.554 -39.286 10.613 1.00 5.22 H new ATOM 0 HD21 ASN A 88 9.815 -38.624 11.864 1.00 75.10 H new ATOM 0 HD22 ASN A 88 8.671 -38.360 10.544 1.00 75.10 H new ATOM 1314 N TYR A 89 5.334 -39.905 13.988 1.00 72.25 N ATOM 1315 CA TYR A 89 4.649 -38.978 14.880 1.00 0.33 C ATOM 1316 C TYR A 89 5.651 -38.159 15.688 1.00 43.53 C ATOM 1317 O TYR A 89 5.776 -38.305 16.904 1.00 72.42 O ATOM 1318 CB TYR A 89 3.718 -39.740 15.825 1.00 52.33 C ATOM 1319 CG TYR A 89 2.890 -40.800 15.134 1.00 52.52 C ATOM 1320 CD1 TYR A 89 3.353 -42.105 15.018 1.00 52.51 C ATOM 1321 CD2 TYR A 89 1.645 -40.496 14.596 1.00 22.11 C ATOM 1322 CE1 TYR A 89 2.600 -43.076 14.387 1.00 62.11 C ATOM 1323 CE2 TYR A 89 0.885 -41.461 13.965 1.00 61.52 C ATOM 1324 CZ TYR A 89 1.367 -42.750 13.863 1.00 51.25 C ATOM 1325 OH TYR A 89 0.613 -43.714 13.233 1.00 25.11 O ATOM 0 H TYR A 89 5.972 -40.548 14.457 1.00 72.25 H new ATOM 0 HA TYR A 89 4.057 -38.296 14.269 1.00 0.33 H new ATOM 0 HB2 TYR A 89 4.314 -40.209 16.608 1.00 52.33 H new ATOM 0 HB3 TYR A 89 3.050 -39.031 16.314 1.00 52.33 H new ATOM 0 HD1 TYR A 89 4.318 -42.364 15.428 1.00 52.51 H new ATOM 0 HD2 TYR A 89 1.265 -39.488 14.673 1.00 22.11 H new ATOM 0 HE1 TYR A 89 2.975 -44.085 14.305 1.00 62.11 H new ATOM 0 HE2 TYR A 89 -0.081 -41.208 13.554 1.00 61.52 H new ATOM 0 HH TYR A 89 -0.229 -43.320 12.922 1.00 25.11 H new ATOM 1335 N PRO A 90 6.384 -37.273 14.996 1.00 71.20 N ATOM 1336 CA PRO A 90 7.388 -36.411 15.627 1.00 33.32 C ATOM 1337 C PRO A 90 6.759 -35.344 16.516 1.00 33.03 C ATOM 1338 O PRO A 90 7.196 -35.125 17.646 1.00 21.52 O ATOM 1339 CB PRO A 90 8.099 -35.764 14.436 1.00 31.12 C ATOM 1340 CG PRO A 90 7.097 -35.795 13.334 1.00 12.43 C ATOM 1341 CD PRO A 90 6.288 -37.045 13.544 1.00 23.04 C ATOM 0 HA PRO A 90 8.053 -36.972 16.284 1.00 33.32 H new ATOM 0 HB2 PRO A 90 8.405 -34.743 14.664 1.00 31.12 H new ATOM 0 HB3 PRO A 90 9.001 -36.314 14.167 1.00 31.12 H new ATOM 0 HG2 PRO A 90 6.461 -34.910 13.360 1.00 12.43 H new ATOM 0 HG3 PRO A 90 7.588 -35.807 12.361 1.00 12.43 H new ATOM 0 HD2 PRO A 90 5.254 -36.913 13.225 1.00 23.04 H new ATOM 0 HD3 PRO A 90 6.691 -37.885 12.978 1.00 23.04 H new ATOM 1349 N LYS A 91 5.729 -34.682 16.000 1.00 44.54 N ATOM 1350 CA LYS A 91 5.038 -33.638 16.747 1.00 50.43 C ATOM 1351 C LYS A 91 5.975 -32.473 17.048 1.00 43.50 C ATOM 1352 O LYS A 91 6.229 -32.152 18.209 1.00 14.33 O ATOM 1353 CB LYS A 91 4.475 -34.204 18.052 1.00 10.22 C ATOM 1354 CG LYS A 91 3.493 -33.275 18.744 1.00 14.14 C ATOM 1355 CD LYS A 91 2.688 -34.005 19.807 1.00 63.33 C ATOM 1356 CE LYS A 91 1.199 -33.727 19.668 1.00 64.43 C ATOM 1357 NZ LYS A 91 0.429 -34.233 20.838 1.00 42.31 N ATOM 0 H LYS A 91 5.354 -34.850 15.066 1.00 44.54 H new ATOM 0 HA LYS A 91 4.216 -33.270 16.133 1.00 50.43 H new ATOM 0 HB2 LYS A 91 3.980 -35.152 17.843 1.00 10.22 H new ATOM 0 HB3 LYS A 91 5.300 -34.418 18.731 1.00 10.22 H new ATOM 0 HG2 LYS A 91 4.035 -32.447 19.201 1.00 14.14 H new ATOM 0 HG3 LYS A 91 2.816 -32.844 18.006 1.00 14.14 H new ATOM 0 HD2 LYS A 91 2.868 -35.077 19.729 1.00 63.33 H new ATOM 0 HD3 LYS A 91 3.026 -33.697 20.796 1.00 63.33 H new ATOM 0 HE2 LYS A 91 1.038 -32.654 19.564 1.00 64.43 H new ATOM 0 HE3 LYS A 91 0.826 -34.195 18.757 1.00 64.43 H new ATOM 0 HZ1 LYS A 91 -0.581 -34.024 20.705 1.00 42.31 H new ATOM 0 HZ2 LYS A 91 0.562 -35.261 20.923 1.00 42.31 H new ATOM 0 HZ3 LYS A 91 0.768 -33.768 21.704 1.00 42.31 H new ATOM 1371 N ASP A 92 6.486 -31.843 15.996 1.00 53.43 N ATOM 1372 CA ASP A 92 7.393 -30.711 16.148 1.00 60.10 C ATOM 1373 C ASP A 92 7.172 -29.685 15.041 1.00 11.44 C ATOM 1374 O ASP A 92 6.972 -30.042 13.881 1.00 15.53 O ATOM 1375 CB ASP A 92 8.846 -31.189 16.134 1.00 33.42 C ATOM 1376 CG ASP A 92 9.722 -30.408 17.094 1.00 74.13 C ATOM 1377 OD1 ASP A 92 9.279 -29.340 17.566 1.00 10.11 O ATOM 1378 OD2 ASP A 92 10.849 -30.865 17.373 1.00 24.31 O ATOM 0 H ASP A 92 6.288 -32.097 15.028 1.00 53.43 H new ATOM 0 HA ASP A 92 7.184 -30.236 17.106 1.00 60.10 H new ATOM 0 HB2 ASP A 92 8.880 -32.247 16.395 1.00 33.42 H new ATOM 0 HB3 ASP A 92 9.246 -31.096 15.124 1.00 33.42 H new ATOM 1383 N ASN A 93 7.209 -28.408 15.409 1.00 11.04 N ATOM 1384 CA ASN A 93 7.011 -27.329 14.448 1.00 31.31 C ATOM 1385 C ASN A 93 7.723 -26.059 14.902 1.00 45.24 C ATOM 1386 O ASN A 93 8.759 -25.684 14.351 1.00 22.13 O ATOM 1387 CB ASN A 93 5.518 -27.051 14.262 1.00 32.43 C ATOM 1388 CG ASN A 93 5.257 -25.708 13.608 1.00 33.50 C ATOM 1389 OD1 ASN A 93 5.786 -25.414 12.536 1.00 73.51 O ATOM 1390 ND2 ASN A 93 4.437 -24.886 14.253 1.00 45.23 N ATOM 0 H ASN A 93 7.374 -28.095 16.366 1.00 11.04 H new ATOM 0 HA ASN A 93 7.437 -27.642 13.495 1.00 31.31 H new ATOM 0 HB2 ASN A 93 5.077 -27.840 13.653 1.00 32.43 H new ATOM 0 HB3 ASN A 93 5.022 -27.082 15.232 1.00 32.43 H new ATOM 0 HD21 ASN A 93 4.223 -23.969 13.862 1.00 45.23 H new ATOM 0 HD22 ASN A 93 4.021 -25.172 15.139 1.00 45.23 H new ATOM 1397 N LYS A 94 7.162 -25.400 15.909 1.00 11.34 N ATOM 1398 CA LYS A 94 7.743 -24.172 16.440 1.00 71.12 C ATOM 1399 C LYS A 94 7.915 -23.131 15.338 1.00 21.40 C ATOM 1400 O LYS A 94 9.019 -22.926 14.832 1.00 15.13 O ATOM 1401 CB LYS A 94 9.095 -24.465 17.095 1.00 15.11 C ATOM 1402 CG LYS A 94 9.537 -23.397 18.081 1.00 74.23 C ATOM 1403 CD LYS A 94 10.903 -23.710 18.666 1.00 23.44 C ATOM 1404 CE LYS A 94 11.442 -22.544 19.480 1.00 52.51 C ATOM 1405 NZ LYS A 94 12.697 -22.900 20.198 1.00 73.31 N ATOM 0 H LYS A 94 6.304 -25.696 16.375 1.00 11.34 H new ATOM 0 HA LYS A 94 7.062 -23.772 17.191 1.00 71.12 H new ATOM 0 HB2 LYS A 94 9.039 -25.423 17.611 1.00 15.11 H new ATOM 0 HB3 LYS A 94 9.852 -24.565 16.317 1.00 15.11 H new ATOM 0 HG2 LYS A 94 9.567 -22.429 17.581 1.00 74.23 H new ATOM 0 HG3 LYS A 94 8.805 -23.318 18.885 1.00 74.23 H new ATOM 0 HD2 LYS A 94 10.835 -24.595 19.298 1.00 23.44 H new ATOM 0 HD3 LYS A 94 11.599 -23.946 17.861 1.00 23.44 H new ATOM 0 HE2 LYS A 94 11.629 -21.697 18.820 1.00 52.51 H new ATOM 0 HE3 LYS A 94 10.689 -22.226 20.201 1.00 52.51 H new ATOM 0 HZ1 LYS A 94 13.031 -22.078 20.741 1.00 73.31 H new ATOM 0 HZ2 LYS A 94 12.513 -23.692 20.847 1.00 73.31 H new ATOM 0 HZ3 LYS A 94 13.424 -23.179 19.509 1.00 73.31 H new ATOM 1419 N ARG A 95 6.818 -22.477 14.972 1.00 51.20 N ATOM 1420 CA ARG A 95 6.848 -21.457 13.930 1.00 23.14 C ATOM 1421 C ARG A 95 7.880 -20.380 14.254 1.00 14.01 C ATOM 1422 O ARG A 95 8.926 -20.293 13.611 1.00 71.31 O ATOM 1423 CB ARG A 95 5.466 -20.822 13.768 1.00 70.30 C ATOM 1424 CG ARG A 95 5.452 -19.625 12.831 1.00 33.24 C ATOM 1425 CD ARG A 95 4.060 -19.022 12.720 1.00 43.13 C ATOM 1426 NE ARG A 95 3.247 -19.703 11.716 1.00 63.31 N ATOM 1427 CZ ARG A 95 2.047 -19.282 11.333 1.00 61.01 C ATOM 1428 NH1 ARG A 95 1.524 -18.187 11.867 1.00 73.13 N ATOM 1429 NH2 ARG A 95 1.368 -19.956 10.414 1.00 62.35 N ATOM 0 H ARG A 95 5.897 -22.635 15.381 1.00 51.20 H new ATOM 0 HA ARG A 95 7.131 -21.938 12.994 1.00 23.14 H new ATOM 0 HB2 ARG A 95 4.772 -21.574 13.394 1.00 70.30 H new ATOM 0 HB3 ARG A 95 5.101 -20.511 14.747 1.00 70.30 H new ATOM 0 HG2 ARG A 95 6.149 -18.870 13.193 1.00 33.24 H new ATOM 0 HG3 ARG A 95 5.798 -19.930 11.843 1.00 33.24 H new ATOM 0 HD2 ARG A 95 3.562 -19.078 13.688 1.00 43.13 H new ATOM 0 HD3 ARG A 95 4.142 -17.966 12.464 1.00 43.13 H new ATOM 0 HE ARG A 95 3.621 -20.548 11.285 1.00 63.31 H new ATOM 0 HH11 ARG A 95 2.043 -17.666 12.574 1.00 73.13 H new ATOM 0 HH12 ARG A 95 0.602 -17.866 11.571 1.00 73.13 H new ATOM 0 HH21 ARG A 95 1.767 -20.799 10.001 1.00 62.35 H new ATOM 0 HH22 ARG A 95 0.446 -19.632 10.121 1.00 62.35 H new ATOM 1443 N LYS A 96 7.577 -19.560 15.255 1.00 70.20 N ATOM 1444 CA LYS A 96 8.477 -18.489 15.666 1.00 54.33 C ATOM 1445 C LYS A 96 8.712 -17.507 14.522 1.00 70.51 C ATOM 1446 O LYS A 96 9.594 -17.711 13.689 1.00 63.54 O ATOM 1447 CB LYS A 96 9.812 -19.069 16.137 1.00 10.32 C ATOM 1448 CG LYS A 96 10.664 -18.080 16.914 1.00 21.10 C ATOM 1449 CD LYS A 96 10.573 -18.322 18.411 1.00 3.24 C ATOM 1450 CE LYS A 96 10.782 -17.036 19.197 1.00 24.31 C ATOM 1451 NZ LYS A 96 9.528 -16.579 19.856 1.00 12.22 N ATOM 0 H LYS A 96 6.715 -19.617 15.797 1.00 70.20 H new ATOM 0 HA LYS A 96 8.010 -17.953 16.492 1.00 54.33 H new ATOM 0 HB2 LYS A 96 9.619 -19.940 16.763 1.00 10.32 H new ATOM 0 HB3 LYS A 96 10.374 -19.417 15.270 1.00 10.32 H new ATOM 0 HG2 LYS A 96 11.703 -18.163 16.594 1.00 21.10 H new ATOM 0 HG3 LYS A 96 10.341 -17.064 16.688 1.00 21.10 H new ATOM 0 HD2 LYS A 96 9.598 -18.744 18.654 1.00 3.24 H new ATOM 0 HD3 LYS A 96 11.321 -19.057 18.708 1.00 3.24 H new ATOM 0 HE2 LYS A 96 11.553 -17.193 19.952 1.00 24.31 H new ATOM 0 HE3 LYS A 96 11.146 -16.256 18.528 1.00 24.31 H new ATOM 0 HZ1 LYS A 96 9.712 -15.700 20.381 1.00 12.22 H new ATOM 0 HZ2 LYS A 96 8.800 -16.405 19.134 1.00 12.22 H new ATOM 0 HZ3 LYS A 96 9.194 -17.312 20.514 1.00 12.22 H new ATOM 1465 N MET A 97 7.918 -16.442 14.489 1.00 21.14 N ATOM 1466 CA MET A 97 8.043 -15.428 13.449 1.00 71.12 C ATOM 1467 C MET A 97 9.350 -14.656 13.596 1.00 1.22 C ATOM 1468 O MET A 97 9.905 -14.559 14.691 1.00 71.50 O ATOM 1469 CB MET A 97 6.858 -14.462 13.503 1.00 34.41 C ATOM 1470 CG MET A 97 6.000 -14.482 12.248 1.00 0.32 C ATOM 1471 SD MET A 97 6.201 -12.996 11.247 1.00 54.41 S ATOM 1472 CE MET A 97 6.515 -13.713 9.636 1.00 54.41 C ATOM 0 H MET A 97 7.181 -16.259 15.170 1.00 21.14 H new ATOM 0 HA MET A 97 8.047 -15.933 12.483 1.00 71.12 H new ATOM 0 HB2 MET A 97 6.236 -14.711 14.363 1.00 34.41 H new ATOM 0 HB3 MET A 97 7.231 -13.450 13.662 1.00 34.41 H new ATOM 0 HG2 MET A 97 6.258 -15.356 11.650 1.00 0.32 H new ATOM 0 HG3 MET A 97 4.952 -14.587 12.530 1.00 0.32 H new ATOM 0 HE1 MET A 97 6.661 -12.917 8.906 1.00 54.41 H new ATOM 0 HE2 MET A 97 7.411 -14.332 9.682 1.00 54.41 H new ATOM 0 HE3 MET A 97 5.665 -14.327 9.339 1.00 54.41 H new ATOM 1482 N ASP A 98 9.837 -14.108 12.488 1.00 35.10 N ATOM 1483 CA ASP A 98 11.078 -13.344 12.494 1.00 4.44 C ATOM 1484 C ASP A 98 10.971 -12.125 11.583 1.00 12.34 C ATOM 1485 O ASP A 98 10.227 -12.135 10.604 1.00 54.34 O ATOM 1486 CB ASP A 98 12.247 -14.225 12.052 1.00 62.13 C ATOM 1487 CG ASP A 98 13.566 -13.783 12.654 1.00 44.23 C ATOM 1488 OD1 ASP A 98 13.606 -12.692 13.260 1.00 10.43 O ATOM 1489 OD2 ASP A 98 14.559 -14.528 12.519 1.00 21.10 O ATOM 0 H ASP A 98 9.390 -14.179 11.574 1.00 35.10 H new ATOM 0 HA ASP A 98 11.258 -12.999 13.512 1.00 4.44 H new ATOM 0 HB2 ASP A 98 12.048 -15.258 12.339 1.00 62.13 H new ATOM 0 HB3 ASP A 98 12.322 -14.205 10.965 1.00 62.13 H new ATOM 1494 N GLU A 99 11.718 -11.077 11.915 1.00 43.50 N ATOM 1495 CA GLU A 99 11.705 -9.850 11.127 1.00 13.41 C ATOM 1496 C GLU A 99 13.103 -9.516 10.616 1.00 2.41 C ATOM 1497 O GLU A 99 14.057 -9.430 11.391 1.00 34.20 O ATOM 1498 CB GLU A 99 11.164 -8.687 11.962 1.00 73.10 C ATOM 1499 CG GLU A 99 10.824 -7.455 11.141 1.00 52.50 C ATOM 1500 CD GLU A 99 9.340 -7.339 10.849 1.00 2.45 C ATOM 1501 OE1 GLU A 99 8.781 -8.276 10.243 1.00 54.13 O ATOM 1502 OE2 GLU A 99 8.739 -6.311 11.227 1.00 22.53 O ATOM 0 H GLU A 99 12.339 -11.053 12.724 1.00 43.50 H new ATOM 0 HA GLU A 99 11.052 -10.007 10.269 1.00 13.41 H new ATOM 0 HB2 GLU A 99 10.271 -9.017 12.494 1.00 73.10 H new ATOM 0 HB3 GLU A 99 11.903 -8.418 12.717 1.00 73.10 H new ATOM 0 HG2 GLU A 99 11.156 -6.564 11.675 1.00 52.50 H new ATOM 0 HG3 GLU A 99 11.374 -7.487 10.201 1.00 52.50 H new ATOM 1509 N THR A 100 13.219 -9.328 9.305 1.00 52.20 N ATOM 1510 CA THR A 100 14.500 -9.005 8.689 1.00 34.11 C ATOM 1511 C THR A 100 15.027 -7.664 9.187 1.00 30.42 C ATOM 1512 O THR A 100 14.422 -6.620 8.946 1.00 53.14 O ATOM 1513 CB THR A 100 14.389 -8.962 7.153 1.00 4.13 C ATOM 1514 OG1 THR A 100 13.056 -8.609 6.767 1.00 22.45 O ATOM 1515 CG2 THR A 100 14.760 -10.307 6.546 1.00 14.31 C ATOM 0 H THR A 100 12.441 -9.394 8.649 1.00 52.20 H new ATOM 0 HA THR A 100 15.196 -9.794 8.974 1.00 34.11 H new ATOM 0 HB THR A 100 15.085 -8.209 6.781 1.00 4.13 H new ATOM 0 HG1 THR A 100 12.995 -8.582 5.789 1.00 22.45 H new ATOM 0 HG21 THR A 100 14.674 -10.252 5.461 1.00 14.31 H new ATOM 0 HG22 THR A 100 15.786 -10.558 6.817 1.00 14.31 H new ATOM 0 HG23 THR A 100 14.086 -11.075 6.925 1.00 14.31 H new ATOM 1523 N ASP A 101 16.158 -7.701 9.883 1.00 41.42 N ATOM 1524 CA ASP A 101 16.768 -6.487 10.414 1.00 64.22 C ATOM 1525 C ASP A 101 18.276 -6.489 10.178 1.00 55.11 C ATOM 1526 O ASP A 101 18.868 -7.529 9.892 1.00 32.13 O ATOM 1527 CB ASP A 101 16.474 -6.355 11.909 1.00 53.33 C ATOM 1528 CG ASP A 101 15.327 -5.404 12.191 1.00 50.02 C ATOM 1529 OD1 ASP A 101 14.382 -5.355 11.375 1.00 44.51 O ATOM 1530 OD2 ASP A 101 15.374 -4.710 13.228 1.00 75.03 O ATOM 0 H ASP A 101 16.671 -8.557 10.093 1.00 41.42 H new ATOM 0 HA ASP A 101 16.337 -5.634 9.890 1.00 64.22 H new ATOM 0 HB2 ASP A 101 16.237 -7.337 12.318 1.00 53.33 H new ATOM 0 HB3 ASP A 101 17.369 -6.003 12.423 1.00 53.33 H new ATOM 1535 N ALA A 102 18.889 -5.316 10.298 1.00 25.45 N ATOM 1536 CA ALA A 102 20.327 -5.183 10.099 1.00 2.14 C ATOM 1537 C ALA A 102 20.956 -4.327 11.194 1.00 71.03 C ATOM 1538 O ALA A 102 20.824 -3.103 11.190 1.00 30.25 O ATOM 1539 CB ALA A 102 20.617 -4.588 8.729 1.00 24.14 C ATOM 0 H ALA A 102 18.413 -4.445 10.532 1.00 25.45 H new ATOM 0 HA ALA A 102 20.770 -6.177 10.152 1.00 2.14 H new ATOM 0 HB1 ALA A 102 21.695 -4.494 8.594 1.00 24.14 H new ATOM 0 HB2 ALA A 102 20.210 -5.239 7.956 1.00 24.14 H new ATOM 0 HB3 ALA A 102 20.155 -3.604 8.655 1.00 24.14 H new ATOM 1545 N SER A 103 21.639 -4.979 12.129 1.00 1.23 N ATOM 1546 CA SER A 103 22.284 -4.277 13.233 1.00 64.32 C ATOM 1547 C SER A 103 23.729 -4.738 13.399 1.00 63.24 C ATOM 1548 O SER A 103 24.010 -5.684 14.134 1.00 21.33 O ATOM 1549 CB SER A 103 21.511 -4.507 14.533 1.00 64.22 C ATOM 1550 OG SER A 103 20.609 -3.444 14.784 1.00 32.23 O ATOM 0 H SER A 103 21.760 -5.992 12.145 1.00 1.23 H new ATOM 0 HA SER A 103 22.284 -3.212 13.003 1.00 64.32 H new ATOM 0 HB2 SER A 103 20.963 -5.447 14.472 1.00 64.22 H new ATOM 0 HB3 SER A 103 22.210 -4.599 15.364 1.00 64.22 H new ATOM 0 HG SER A 103 20.126 -3.615 15.619 1.00 32.23 H new ATOM 1556 N SER A 104 24.642 -4.062 12.709 1.00 64.02 N ATOM 1557 CA SER A 104 26.059 -4.403 12.776 1.00 75.54 C ATOM 1558 C SER A 104 26.921 -3.145 12.784 1.00 30.01 C ATOM 1559 O SER A 104 26.907 -2.363 11.834 1.00 72.32 O ATOM 1560 CB SER A 104 26.447 -5.293 11.593 1.00 34.53 C ATOM 1561 OG SER A 104 27.782 -5.750 11.716 1.00 65.24 O ATOM 0 H SER A 104 24.426 -3.275 12.097 1.00 64.02 H new ATOM 0 HA SER A 104 26.233 -4.947 13.704 1.00 75.54 H new ATOM 0 HB2 SER A 104 25.771 -6.146 11.538 1.00 34.53 H new ATOM 0 HB3 SER A 104 26.334 -4.737 10.663 1.00 34.53 H new ATOM 0 HG SER A 104 28.005 -6.318 10.949 1.00 65.24 H new ATOM 1567 N ALA A 105 27.671 -2.957 13.865 1.00 41.32 N ATOM 1568 CA ALA A 105 28.542 -1.795 13.998 1.00 73.15 C ATOM 1569 C ALA A 105 29.477 -1.944 15.193 1.00 40.23 C ATOM 1570 O ALA A 105 29.041 -2.264 16.299 1.00 65.33 O ATOM 1571 CB ALA A 105 27.712 -0.526 14.129 1.00 64.25 C ATOM 0 H ALA A 105 27.693 -3.594 14.661 1.00 41.32 H new ATOM 0 HA ALA A 105 29.154 -1.725 13.098 1.00 73.15 H new ATOM 0 HB1 ALA A 105 28.375 0.334 14.228 1.00 64.25 H new ATOM 0 HB2 ALA A 105 27.090 -0.405 13.242 1.00 64.25 H new ATOM 0 HB3 ALA A 105 27.076 -0.597 15.011 1.00 64.25 H new ATOM 1577 N VAL A 106 30.765 -1.710 14.963 1.00 42.40 N ATOM 1578 CA VAL A 106 31.762 -1.817 16.021 1.00 24.12 C ATOM 1579 C VAL A 106 31.791 -0.558 16.880 1.00 53.43 C ATOM 1580 O VAL A 106 31.134 0.435 16.567 1.00 15.50 O ATOM 1581 CB VAL A 106 33.169 -2.063 15.444 1.00 70.50 C ATOM 1582 CG1 VAL A 106 33.192 -3.342 14.621 1.00 61.41 C ATOM 1583 CG2 VAL A 106 33.617 -0.874 14.609 1.00 44.14 C ATOM 0 H VAL A 106 31.142 -1.445 14.053 1.00 42.40 H new ATOM 0 HA VAL A 106 31.476 -2.668 16.639 1.00 24.12 H new ATOM 0 HB VAL A 106 33.868 -2.180 16.272 1.00 70.50 H new ATOM 0 HG11 VAL A 106 34.194 -3.500 14.221 1.00 61.41 H new ATOM 0 HG12 VAL A 106 32.916 -4.186 15.253 1.00 61.41 H new ATOM 0 HG13 VAL A 106 32.482 -3.258 13.798 1.00 61.41 H new ATOM 0 HG21 VAL A 106 34.613 -1.065 14.209 1.00 44.14 H new ATOM 0 HG22 VAL A 106 32.918 -0.723 13.786 1.00 44.14 H new ATOM 0 HG23 VAL A 106 33.641 0.020 15.232 1.00 44.14 H new ATOM 1593 N LYS A 107 32.557 -0.605 17.964 1.00 11.32 N ATOM 1594 CA LYS A 107 32.674 0.533 18.869 1.00 72.21 C ATOM 1595 C LYS A 107 33.924 0.413 19.735 1.00 35.22 C ATOM 1596 O LYS A 107 33.970 -0.389 20.668 1.00 32.21 O ATOM 1597 CB LYS A 107 31.432 0.634 19.758 1.00 60.53 C ATOM 1598 CG LYS A 107 31.233 2.009 20.371 1.00 72.13 C ATOM 1599 CD LYS A 107 29.775 2.259 20.718 1.00 32.42 C ATOM 1600 CE LYS A 107 29.374 3.699 20.439 1.00 1.13 C ATOM 1601 NZ LYS A 107 29.368 4.001 18.981 1.00 71.40 N ATOM 0 H LYS A 107 33.107 -1.419 18.238 1.00 11.32 H new ATOM 0 HA LYS A 107 32.756 1.438 18.266 1.00 72.21 H new ATOM 0 HB2 LYS A 107 30.552 0.377 19.169 1.00 60.53 H new ATOM 0 HB3 LYS A 107 31.507 -0.104 20.557 1.00 60.53 H new ATOM 0 HG2 LYS A 107 31.843 2.099 21.270 1.00 72.13 H new ATOM 0 HG3 LYS A 107 31.578 2.773 19.674 1.00 72.13 H new ATOM 0 HD2 LYS A 107 29.142 1.586 20.140 1.00 32.42 H new ATOM 0 HD3 LYS A 107 29.606 2.031 21.770 1.00 32.42 H new ATOM 0 HE2 LYS A 107 28.383 3.887 20.853 1.00 1.13 H new ATOM 0 HE3 LYS A 107 30.064 4.373 20.947 1.00 1.13 H new ATOM 0 HZ1 LYS A 107 28.731 4.802 18.795 1.00 71.40 H new ATOM 0 HZ2 LYS A 107 30.331 4.246 18.673 1.00 71.40 H new ATOM 0 HZ3 LYS A 107 29.038 3.167 18.455 1.00 71.40 H new ATOM 1615 N VAL A 108 34.935 1.216 19.421 1.00 0.24 N ATOM 1616 CA VAL A 108 36.184 1.202 20.173 1.00 64.31 C ATOM 1617 C VAL A 108 36.261 2.382 21.135 1.00 51.13 C ATOM 1618 O VAL A 108 35.876 3.501 20.794 1.00 35.24 O ATOM 1619 CB VAL A 108 37.405 1.239 19.234 1.00 73.22 C ATOM 1620 CG1 VAL A 108 38.693 1.071 20.025 1.00 11.31 C ATOM 1621 CG2 VAL A 108 37.284 0.166 18.162 1.00 43.11 C ATOM 0 H VAL A 108 34.914 1.885 18.651 1.00 0.24 H new ATOM 0 HA VAL A 108 36.200 0.272 20.742 1.00 64.31 H new ATOM 0 HB VAL A 108 37.434 2.211 18.742 1.00 73.22 H new ATOM 0 HG11 VAL A 108 39.544 1.100 19.345 1.00 11.31 H new ATOM 0 HG12 VAL A 108 38.782 1.879 20.752 1.00 11.31 H new ATOM 0 HG13 VAL A 108 38.678 0.114 20.546 1.00 11.31 H new ATOM 0 HG21 VAL A 108 38.155 0.206 17.507 1.00 43.11 H new ATOM 0 HG22 VAL A 108 37.229 -0.815 18.634 1.00 43.11 H new ATOM 0 HG23 VAL A 108 36.381 0.337 17.576 1.00 43.11 H new ATOM 1631 N LYS A 109 36.762 2.126 22.338 1.00 35.25 N ATOM 1632 CA LYS A 109 36.891 3.167 23.351 1.00 23.32 C ATOM 1633 C LYS A 109 37.688 2.663 24.551 1.00 75.44 C ATOM 1634 O LYS A 109 37.577 1.499 24.936 1.00 70.40 O ATOM 1635 CB LYS A 109 35.509 3.640 23.806 1.00 72.12 C ATOM 1636 CG LYS A 109 35.477 5.095 24.241 1.00 34.31 C ATOM 1637 CD LYS A 109 35.509 5.225 25.755 1.00 75.33 C ATOM 1638 CE LYS A 109 34.107 5.211 26.345 1.00 52.21 C ATOM 1639 NZ LYS A 109 34.124 5.423 27.819 1.00 55.52 N ATOM 0 H LYS A 109 37.086 1.206 22.636 1.00 35.25 H new ATOM 0 HA LYS A 109 37.427 4.006 22.907 1.00 23.32 H new ATOM 0 HB2 LYS A 109 34.799 3.497 22.991 1.00 72.12 H new ATOM 0 HB3 LYS A 109 35.174 3.015 24.634 1.00 72.12 H new ATOM 0 HG2 LYS A 109 36.328 5.623 23.811 1.00 34.31 H new ATOM 0 HG3 LYS A 109 34.577 5.572 23.853 1.00 34.31 H new ATOM 0 HD2 LYS A 109 36.092 4.407 26.179 1.00 75.33 H new ATOM 0 HD3 LYS A 109 36.012 6.152 26.031 1.00 75.33 H new ATOM 0 HE2 LYS A 109 33.506 5.989 25.873 1.00 52.21 H new ATOM 0 HE3 LYS A 109 33.628 4.258 26.121 1.00 52.21 H new ATOM 0 HZ1 LYS A 109 33.150 5.407 28.183 1.00 55.52 H new ATOM 0 HZ2 LYS A 109 34.676 4.667 28.272 1.00 55.52 H new ATOM 0 HZ3 LYS A 109 34.558 6.344 28.032 1.00 55.52 H new ATOM 1653 N ARG A 110 38.488 3.546 25.137 1.00 3.32 N ATOM 1654 CA ARG A 110 39.302 3.190 26.293 1.00 4.31 C ATOM 1655 C ARG A 110 39.017 4.122 27.467 1.00 51.40 C ATOM 1656 O ARG A 110 38.659 5.284 27.277 1.00 51.31 O ATOM 1657 CB ARG A 110 40.788 3.246 25.934 1.00 63.24 C ATOM 1658 CG ARG A 110 41.399 1.882 25.655 1.00 52.14 C ATOM 1659 CD ARG A 110 41.788 1.172 26.942 1.00 74.12 C ATOM 1660 NE ARG A 110 40.713 0.319 27.442 1.00 0.04 N ATOM 1661 CZ ARG A 110 40.675 -0.166 28.678 1.00 22.24 C ATOM 1662 NH1 ARG A 110 41.647 0.116 29.535 1.00 12.41 N ATOM 1663 NH2 ARG A 110 39.663 -0.935 29.060 1.00 65.53 N ATOM 0 H ARG A 110 38.590 4.514 24.831 1.00 3.32 H new ATOM 0 HA ARG A 110 39.044 2.173 26.588 1.00 4.31 H new ATOM 0 HB2 ARG A 110 40.917 3.879 25.056 1.00 63.24 H new ATOM 0 HB3 ARG A 110 41.333 3.719 26.751 1.00 63.24 H new ATOM 0 HG2 ARG A 110 40.687 1.270 25.101 1.00 52.14 H new ATOM 0 HG3 ARG A 110 42.279 1.999 25.022 1.00 52.14 H new ATOM 0 HD2 ARG A 110 42.679 0.568 26.768 1.00 74.12 H new ATOM 0 HD3 ARG A 110 42.047 1.911 27.700 1.00 74.12 H new ATOM 0 HE ARG A 110 39.950 0.083 26.808 1.00 0.04 H new ATOM 0 HH11 ARG A 110 42.427 0.707 29.246 1.00 12.41 H new ATOM 0 HH12 ARG A 110 41.615 -0.258 30.483 1.00 12.41 H new ATOM 0 HH21 ARG A 110 38.913 -1.154 28.404 1.00 65.53 H new ATOM 0 HH22 ARG A 110 39.635 -1.307 30.009 1.00 65.53 H new ATOM 1677 N ALA A 111 39.177 3.604 28.680 1.00 24.11 N ATOM 1678 CA ALA A 111 38.938 4.390 29.884 1.00 25.44 C ATOM 1679 C ALA A 111 39.884 3.976 31.007 1.00 63.44 C ATOM 1680 O ALA A 111 39.705 2.929 31.629 1.00 71.31 O ATOM 1681 CB ALA A 111 37.491 4.244 30.331 1.00 42.42 C ATOM 0 H ALA A 111 39.471 2.643 28.855 1.00 24.11 H new ATOM 0 HA ALA A 111 39.131 5.437 29.649 1.00 25.44 H new ATOM 0 HB1 ALA A 111 37.327 4.836 31.231 1.00 42.42 H new ATOM 0 HB2 ALA A 111 36.829 4.595 29.540 1.00 42.42 H new ATOM 0 HB3 ALA A 111 37.280 3.196 30.543 1.00 42.42 H new ATOM 1687 N VAL A 112 40.893 4.804 31.260 1.00 32.30 N ATOM 1688 CA VAL A 112 41.867 4.524 32.308 1.00 62.41 C ATOM 1689 C VAL A 112 41.372 5.014 33.664 1.00 44.42 C ATOM 1690 O VAL A 112 40.295 5.600 33.767 1.00 40.22 O ATOM 1691 CB VAL A 112 43.226 5.181 32.001 1.00 20.30 C ATOM 1692 CG1 VAL A 112 43.781 4.669 30.680 1.00 32.35 C ATOM 1693 CG2 VAL A 112 43.092 6.696 31.981 1.00 62.11 C ATOM 0 H VAL A 112 41.057 5.674 30.753 1.00 32.30 H new ATOM 0 HA VAL A 112 41.994 3.442 32.341 1.00 62.41 H new ATOM 0 HB VAL A 112 43.927 4.911 32.791 1.00 20.30 H new ATOM 0 HG11 VAL A 112 44.741 5.144 30.480 1.00 32.35 H new ATOM 0 HG12 VAL A 112 43.916 3.589 30.736 1.00 32.35 H new ATOM 0 HG13 VAL A 112 43.084 4.907 29.876 1.00 32.35 H new ATOM 0 HG21 VAL A 112 44.061 7.144 31.763 1.00 62.11 H new ATOM 0 HG22 VAL A 112 42.376 6.988 31.213 1.00 62.11 H new ATOM 0 HG23 VAL A 112 42.742 7.043 32.953 1.00 62.11 H new ATOM 1703 N GLN A 113 42.167 4.771 34.701 1.00 41.30 N ATOM 1704 CA GLN A 113 41.809 5.189 36.051 1.00 22.24 C ATOM 1705 C GLN A 113 43.051 5.568 36.851 1.00 1.21 C ATOM 1706 O GLN A 113 43.189 6.706 37.302 1.00 62.32 O ATOM 1707 CB GLN A 113 41.048 4.072 36.768 1.00 11.32 C ATOM 1708 CG GLN A 113 40.474 4.493 38.112 1.00 70.44 C ATOM 1709 CD GLN A 113 39.173 3.786 38.437 1.00 13.11 C ATOM 1710 OE1 GLN A 113 38.120 4.417 38.544 1.00 64.44 O ATOM 1711 NE2 GLN A 113 39.238 2.469 38.597 1.00 55.42 N ATOM 0 H GLN A 113 43.062 4.287 34.632 1.00 41.30 H new ATOM 0 HA GLN A 113 41.167 6.066 35.974 1.00 22.24 H new ATOM 0 HB2 GLN A 113 40.236 3.727 36.127 1.00 11.32 H new ATOM 0 HB3 GLN A 113 41.718 3.225 36.917 1.00 11.32 H new ATOM 0 HG2 GLN A 113 41.202 4.284 38.896 1.00 70.44 H new ATOM 0 HG3 GLN A 113 40.307 5.570 38.111 1.00 70.44 H new ATOM 0 HE21 GLN A 113 40.132 1.987 38.499 1.00 55.42 H new ATOM 0 HE22 GLN A 113 38.394 1.940 38.818 1.00 55.42 H new ATOM 1720 N LYS A 114 43.953 4.608 37.024 1.00 3.23 N ATOM 1721 CA LYS A 114 45.185 4.841 37.769 1.00 61.40 C ATOM 1722 C LYS A 114 46.348 4.069 37.152 1.00 55.40 C ATOM 1723 O LYS A 114 46.455 2.854 37.315 1.00 31.32 O ATOM 1724 CB LYS A 114 45.006 4.430 39.232 1.00 21.32 C ATOM 1725 CG LYS A 114 45.944 5.150 40.185 1.00 21.24 C ATOM 1726 CD LYS A 114 45.993 4.467 41.542 1.00 71.11 C ATOM 1727 CE LYS A 114 47.199 4.919 42.350 1.00 24.23 C ATOM 1728 NZ LYS A 114 48.063 3.772 42.745 1.00 5.02 N ATOM 0 H LYS A 114 43.854 3.661 36.658 1.00 3.23 H new ATOM 0 HA LYS A 114 45.413 5.906 37.722 1.00 61.40 H new ATOM 0 HB2 LYS A 114 43.976 4.625 39.532 1.00 21.32 H new ATOM 0 HB3 LYS A 114 45.166 3.355 39.321 1.00 21.32 H new ATOM 0 HG2 LYS A 114 46.946 5.182 39.756 1.00 21.24 H new ATOM 0 HG3 LYS A 114 45.617 6.183 40.308 1.00 21.24 H new ATOM 0 HD2 LYS A 114 45.080 4.688 42.095 1.00 71.11 H new ATOM 0 HD3 LYS A 114 46.030 3.386 41.405 1.00 71.11 H new ATOM 0 HE2 LYS A 114 47.783 5.629 41.764 1.00 24.23 H new ATOM 0 HE3 LYS A 114 46.861 5.444 43.244 1.00 24.23 H new ATOM 0 HZ1 LYS A 114 48.874 4.121 43.294 1.00 5.02 H new ATOM 0 HZ2 LYS A 114 47.513 3.107 43.325 1.00 5.02 H new ATOM 0 HZ3 LYS A 114 48.406 3.286 41.892 1.00 5.02 H new TER 1742 LYS A 114