USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 637 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 58 LYS NZ :NH3+ -114:sc= -0.0728 (180deg=-1.67) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= 0 F(o=-1.6,f=-0.073) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 25 THR OG1 : rot -88:sc= -0.181 USER MOD Set 3.2: A 28 GLN : amide:sc= 0.421 K(o=0.24,f=-3.9!) USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0817 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 18:sc= 0.289 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0401 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.949 F(o=-1.9,f=-0.95) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 100:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.162 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 157:sc= -2.37! (180deg=-3.83!) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.227 F(o=-1.2,f=-0.23) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -2.01! C(o=-2!,f=-2.7!) USER MOD Single : A 68 THR OG1 : rot 81:sc= 1.09 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 35:sc= 0.759 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.195 -10.986 -19.309 1.00 0.00 N ATOM 2 CA GLY A 1 -8.318 -12.349 -19.791 1.00 0.00 C ATOM 3 C GLY A 1 -7.106 -13.194 -19.456 1.00 0.00 C ATOM 4 O GLY A 1 -6.116 -12.689 -18.926 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.968 -10.782 -18.644 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.282 -10.870 -18.824 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.246 -10.328 -20.112 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.207 -12.806 -19.356 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.462 -12.337 -20.871 1.00 0.00 H new ATOM 8 N SER A 2 -7.182 -14.485 -19.763 1.00 0.00 N ATOM 9 CA SER A 2 -6.084 -15.404 -19.486 1.00 0.00 C ATOM 10 C SER A 2 -5.234 -15.627 -20.733 1.00 0.00 C ATOM 11 O SER A 2 -5.587 -15.183 -21.825 1.00 0.00 O ATOM 12 CB SER A 2 -6.626 -16.741 -18.978 1.00 0.00 C ATOM 13 OG SER A 2 -7.400 -16.565 -17.804 1.00 0.00 O ATOM 0 H SER A 2 -7.993 -14.919 -20.204 1.00 0.00 H new ATOM 0 HA SER A 2 -5.456 -14.958 -18.715 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.235 -17.208 -19.752 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.797 -17.419 -18.773 1.00 0.00 H new ATOM 0 HG SER A 2 -7.736 -17.434 -17.501 1.00 0.00 H new ATOM 19 N SER A 3 -4.112 -16.318 -20.561 1.00 0.00 N ATOM 20 CA SER A 3 -3.209 -16.598 -21.671 1.00 0.00 C ATOM 21 C SER A 3 -3.023 -18.101 -21.854 1.00 0.00 C ATOM 22 O SER A 3 -3.234 -18.636 -22.942 1.00 0.00 O ATOM 23 CB SER A 3 -1.853 -15.930 -21.434 1.00 0.00 C ATOM 24 OG SER A 3 -1.041 -16.000 -22.593 1.00 0.00 O ATOM 0 H SER A 3 -3.806 -16.694 -19.664 1.00 0.00 H new ATOM 0 HA SER A 3 -3.653 -16.191 -22.580 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.002 -14.887 -21.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.345 -16.416 -20.601 1.00 0.00 H new ATOM 0 HG SER A 3 -0.181 -15.565 -22.417 1.00 0.00 H new ATOM 30 N GLY A 4 -2.626 -18.777 -20.781 1.00 0.00 N ATOM 31 CA GLY A 4 -2.417 -20.212 -20.843 1.00 0.00 C ATOM 32 C GLY A 4 -1.238 -20.664 -20.004 1.00 0.00 C ATOM 33 O GLY A 4 -0.468 -19.841 -19.509 1.00 0.00 O ATOM 0 H GLY A 4 -2.445 -18.357 -19.869 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.318 -20.722 -20.502 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.256 -20.508 -21.880 1.00 0.00 H new ATOM 37 N SER A 5 -1.098 -21.975 -19.841 1.00 0.00 N ATOM 38 CA SER A 5 -0.007 -22.535 -19.051 1.00 0.00 C ATOM 39 C SER A 5 0.009 -24.058 -19.149 1.00 0.00 C ATOM 40 O SER A 5 -0.997 -24.718 -18.888 1.00 0.00 O ATOM 41 CB SER A 5 -0.138 -22.108 -17.588 1.00 0.00 C ATOM 42 OG SER A 5 -1.259 -22.721 -16.976 1.00 0.00 O ATOM 0 H SER A 5 -1.726 -22.670 -20.245 1.00 0.00 H new ATOM 0 HA SER A 5 0.932 -22.153 -19.451 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.768 -22.376 -17.045 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.236 -21.024 -17.530 1.00 0.00 H new ATOM 0 HG SER A 5 -1.545 -23.489 -17.513 1.00 0.00 H new ATOM 48 N SER A 6 1.158 -24.608 -19.527 1.00 0.00 N ATOM 49 CA SER A 6 1.306 -26.052 -19.663 1.00 0.00 C ATOM 50 C SER A 6 2.458 -26.564 -18.804 1.00 0.00 C ATOM 51 O SER A 6 3.244 -25.783 -18.271 1.00 0.00 O ATOM 52 CB SER A 6 1.541 -26.426 -21.128 1.00 0.00 C ATOM 53 OG SER A 6 0.315 -26.661 -21.798 1.00 0.00 O ATOM 0 H SER A 6 2.000 -24.075 -19.745 1.00 0.00 H new ATOM 0 HA SER A 6 0.384 -26.521 -19.319 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.084 -25.625 -21.628 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.166 -27.318 -21.183 1.00 0.00 H new ATOM 0 HG SER A 6 0.493 -26.896 -22.733 1.00 0.00 H new ATOM 59 N GLY A 7 2.551 -27.884 -18.675 1.00 0.00 N ATOM 60 CA GLY A 7 3.609 -28.479 -17.880 1.00 0.00 C ATOM 61 C GLY A 7 3.779 -29.960 -18.157 1.00 0.00 C ATOM 62 O GLY A 7 3.052 -30.535 -18.965 1.00 0.00 O ATOM 0 H GLY A 7 1.912 -28.552 -19.107 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.547 -27.964 -18.086 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.390 -28.333 -16.822 1.00 0.00 H new ATOM 66 N GLY A 8 4.746 -30.579 -17.486 1.00 0.00 N ATOM 67 CA GLY A 8 4.994 -31.995 -17.679 1.00 0.00 C ATOM 68 C GLY A 8 5.665 -32.636 -16.480 1.00 0.00 C ATOM 69 O GLY A 8 5.644 -32.084 -15.379 1.00 0.00 O ATOM 0 H GLY A 8 5.362 -30.124 -16.812 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.050 -32.502 -17.877 1.00 0.00 H new ATOM 0 HA3 GLY A 8 5.621 -32.134 -18.560 1.00 0.00 H new ATOM 73 N THR A 9 6.261 -33.805 -16.692 1.00 0.00 N ATOM 74 CA THR A 9 6.939 -34.522 -15.619 1.00 0.00 C ATOM 75 C THR A 9 8.408 -34.125 -15.535 1.00 0.00 C ATOM 76 O THR A 9 8.893 -33.725 -14.478 1.00 0.00 O ATOM 77 CB THR A 9 6.841 -36.047 -15.815 1.00 0.00 C ATOM 78 OG1 THR A 9 5.467 -36.451 -15.842 1.00 0.00 O ATOM 79 CG2 THR A 9 7.569 -36.783 -14.700 1.00 0.00 C ATOM 0 H THR A 9 6.288 -34.275 -17.597 1.00 0.00 H new ATOM 0 HA THR A 9 6.439 -34.249 -14.690 1.00 0.00 H new ATOM 0 HB THR A 9 7.312 -36.300 -16.765 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.414 -37.421 -15.969 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.486 -37.858 -14.859 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.620 -36.496 -14.700 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.122 -36.523 -13.740 1.00 0.00 H new ATOM 87 N GLY A 10 9.113 -34.239 -16.657 1.00 0.00 N ATOM 88 CA GLY A 10 10.520 -33.887 -16.688 1.00 0.00 C ATOM 89 C GLY A 10 10.769 -32.551 -17.358 1.00 0.00 C ATOM 90 O GLY A 10 11.161 -32.496 -18.523 1.00 0.00 O ATOM 0 H GLY A 10 8.734 -34.569 -17.545 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.906 -33.856 -15.669 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.074 -34.663 -17.216 1.00 0.00 H new ATOM 94 N GLY A 11 10.540 -31.468 -16.621 1.00 0.00 N ATOM 95 CA GLY A 11 10.746 -30.140 -17.169 1.00 0.00 C ATOM 96 C GLY A 11 10.958 -29.095 -16.091 1.00 0.00 C ATOM 97 O GLY A 11 12.032 -28.503 -15.995 1.00 0.00 O ATOM 0 H GLY A 11 10.215 -31.487 -15.654 1.00 0.00 H new ATOM 0 HA2 GLY A 11 11.611 -30.154 -17.832 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.884 -29.863 -17.775 1.00 0.00 H new ATOM 101 N GLU A 12 9.930 -28.867 -15.280 1.00 0.00 N ATOM 102 CA GLU A 12 10.009 -27.883 -14.206 1.00 0.00 C ATOM 103 C GLU A 12 11.001 -28.327 -13.135 1.00 0.00 C ATOM 104 O GLU A 12 11.269 -29.517 -12.977 1.00 0.00 O ATOM 105 CB GLU A 12 8.630 -27.666 -13.581 1.00 0.00 C ATOM 106 CG GLU A 12 8.560 -26.456 -12.664 1.00 0.00 C ATOM 107 CD GLU A 12 7.307 -26.442 -11.811 1.00 0.00 C ATOM 108 OE1 GLU A 12 7.327 -27.040 -10.716 1.00 0.00 O ATOM 109 OE2 GLU A 12 6.305 -25.830 -12.240 1.00 0.00 O ATOM 0 H GLU A 12 9.034 -29.349 -15.346 1.00 0.00 H new ATOM 0 HA GLU A 12 10.358 -26.943 -14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.894 -27.551 -14.377 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.352 -28.556 -13.016 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.436 -26.445 -12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.596 -25.547 -13.265 1.00 0.00 H new ATOM 116 N GLU A 13 11.543 -27.359 -12.401 1.00 0.00 N ATOM 117 CA GLU A 13 12.506 -27.650 -11.346 1.00 0.00 C ATOM 118 C GLU A 13 11.967 -27.222 -9.984 1.00 0.00 C ATOM 119 O GLU A 13 11.261 -26.222 -9.854 1.00 0.00 O ATOM 120 CB GLU A 13 13.833 -26.940 -11.626 1.00 0.00 C ATOM 121 CG GLU A 13 14.784 -26.938 -10.442 1.00 0.00 C ATOM 122 CD GLU A 13 15.705 -25.733 -10.435 1.00 0.00 C ATOM 123 OE1 GLU A 13 15.211 -24.609 -10.661 1.00 0.00 O ATOM 124 OE2 GLU A 13 16.918 -25.914 -10.204 1.00 0.00 O ATOM 0 H GLU A 13 11.331 -26.368 -12.518 1.00 0.00 H new ATOM 0 HA GLU A 13 12.674 -28.727 -11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 13 14.322 -27.422 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 13 13.629 -25.910 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 13 14.207 -26.955 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 13 15.383 -27.848 -10.461 1.00 0.00 H new ATOM 131 N PRO A 14 12.306 -27.998 -8.944 1.00 0.00 N ATOM 132 CA PRO A 14 11.867 -27.721 -7.573 1.00 0.00 C ATOM 133 C PRO A 14 12.534 -26.480 -6.990 1.00 0.00 C ATOM 134 O PRO A 14 13.472 -25.938 -7.574 1.00 0.00 O ATOM 135 CB PRO A 14 12.298 -28.972 -6.803 1.00 0.00 C ATOM 136 CG PRO A 14 13.438 -29.525 -7.586 1.00 0.00 C ATOM 137 CD PRO A 14 13.144 -29.206 -9.026 1.00 0.00 C ATOM 0 HA PRO A 14 10.797 -27.519 -7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.600 -28.726 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.483 -29.692 -6.729 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.381 -29.078 -7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.530 -30.601 -7.435 1.00 0.00 H new ATOM 0 HD2 PRO A 14 14.058 -29.024 -9.592 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.621 -30.025 -9.520 1.00 0.00 H new ATOM 145 N GLN A 15 12.044 -26.037 -5.837 1.00 0.00 N ATOM 146 CA GLN A 15 12.594 -24.859 -5.177 1.00 0.00 C ATOM 147 C GLN A 15 12.798 -23.722 -6.172 1.00 0.00 C ATOM 148 O GLN A 15 13.824 -23.041 -6.150 1.00 0.00 O ATOM 149 CB GLN A 15 13.921 -25.202 -4.497 1.00 0.00 C ATOM 150 CG GLN A 15 13.758 -25.980 -3.202 1.00 0.00 C ATOM 151 CD GLN A 15 14.983 -26.805 -2.859 1.00 0.00 C ATOM 152 OE1 GLN A 15 15.815 -26.395 -2.049 1.00 0.00 O ATOM 153 NE2 GLN A 15 15.100 -27.976 -3.474 1.00 0.00 N ATOM 0 H GLN A 15 11.268 -26.475 -5.341 1.00 0.00 H new ATOM 0 HA GLN A 15 11.880 -24.531 -4.421 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.533 -25.784 -5.186 1.00 0.00 H new ATOM 0 HB3 GLN A 15 14.463 -24.279 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 15 13.553 -25.285 -2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.893 -26.638 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.387 -28.277 -4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 15 15.903 -28.575 -3.282 1.00 0.00 H new ATOM 162 N ARG A 16 11.815 -23.522 -7.044 1.00 0.00 N ATOM 163 CA ARG A 16 11.888 -22.468 -8.049 1.00 0.00 C ATOM 164 C ARG A 16 10.734 -21.483 -7.888 1.00 0.00 C ATOM 165 O ARG A 16 9.601 -21.768 -8.278 1.00 0.00 O ATOM 166 CB ARG A 16 11.864 -23.072 -9.454 1.00 0.00 C ATOM 167 CG ARG A 16 12.490 -22.177 -10.512 1.00 0.00 C ATOM 168 CD ARG A 16 11.933 -22.476 -11.895 1.00 0.00 C ATOM 169 NE ARG A 16 12.216 -21.401 -12.843 1.00 0.00 N ATOM 170 CZ ARG A 16 11.497 -21.178 -13.937 1.00 0.00 C ATOM 171 NH1 ARG A 16 10.457 -21.950 -14.220 1.00 0.00 N ATOM 172 NH2 ARG A 16 11.817 -20.180 -14.751 1.00 0.00 N ATOM 0 H ARG A 16 10.959 -24.076 -7.075 1.00 0.00 H new ATOM 0 HA ARG A 16 12.825 -21.930 -7.908 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.391 -24.026 -9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.831 -23.282 -9.733 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.305 -21.132 -10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 16 13.571 -22.317 -10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 16 12.361 -23.408 -12.265 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.855 -22.625 -11.827 1.00 0.00 H new ATOM 0 HE ARG A 16 13.009 -20.788 -12.654 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.207 -22.718 -13.597 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.907 -21.776 -15.061 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.616 -19.583 -14.537 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.264 -20.010 -15.591 1.00 0.00 H new ATOM 186 N ASP A 17 11.029 -20.324 -7.310 1.00 0.00 N ATOM 187 CA ASP A 17 10.017 -19.295 -7.098 1.00 0.00 C ATOM 188 C ASP A 17 9.904 -18.384 -8.316 1.00 0.00 C ATOM 189 O ASP A 17 10.817 -17.616 -8.617 1.00 0.00 O ATOM 190 CB ASP A 17 10.352 -18.468 -5.856 1.00 0.00 C ATOM 191 CG ASP A 17 10.151 -19.246 -4.570 1.00 0.00 C ATOM 192 OD1 ASP A 17 9.272 -20.134 -4.546 1.00 0.00 O ATOM 193 OD2 ASP A 17 10.871 -18.968 -3.588 1.00 0.00 O ATOM 0 H ASP A 17 11.961 -20.073 -6.980 1.00 0.00 H new ATOM 0 HA ASP A 17 9.058 -19.790 -6.947 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.387 -18.132 -5.916 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.727 -17.575 -5.838 1.00 0.00 H new ATOM 198 N LYS A 18 8.777 -18.475 -9.014 1.00 0.00 N ATOM 199 CA LYS A 18 8.543 -17.660 -10.200 1.00 0.00 C ATOM 200 C LYS A 18 7.608 -16.496 -9.884 1.00 0.00 C ATOM 201 O LYS A 18 7.929 -15.339 -10.154 1.00 0.00 O ATOM 202 CB LYS A 18 7.950 -18.514 -11.323 1.00 0.00 C ATOM 203 CG LYS A 18 7.601 -17.721 -12.570 1.00 0.00 C ATOM 204 CD LYS A 18 6.535 -18.422 -13.396 1.00 0.00 C ATOM 205 CE LYS A 18 6.554 -17.953 -14.843 1.00 0.00 C ATOM 206 NZ LYS A 18 5.333 -18.381 -15.581 1.00 0.00 N ATOM 0 H LYS A 18 8.011 -19.106 -8.778 1.00 0.00 H new ATOM 0 HA LYS A 18 9.501 -17.256 -10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.661 -19.296 -11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.052 -19.011 -10.955 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.249 -16.730 -12.285 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.497 -17.579 -13.175 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.695 -19.500 -13.359 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.553 -18.231 -12.963 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.633 -16.866 -14.872 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.438 -18.350 -15.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.384 -18.042 -16.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.270 -19.419 -15.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.491 -17.981 -15.120 1.00 0.00 H new ATOM 220 N ARG A 19 6.452 -16.811 -9.309 1.00 0.00 N ATOM 221 CA ARG A 19 5.471 -15.792 -8.957 1.00 0.00 C ATOM 222 C ARG A 19 6.142 -14.608 -8.265 1.00 0.00 C ATOM 223 O ARG A 19 5.614 -13.495 -8.264 1.00 0.00 O ATOM 224 CB ARG A 19 4.393 -16.384 -8.047 1.00 0.00 C ATOM 225 CG ARG A 19 4.871 -16.648 -6.629 1.00 0.00 C ATOM 226 CD ARG A 19 3.708 -16.937 -5.693 1.00 0.00 C ATOM 227 NE ARG A 19 3.088 -18.229 -5.973 1.00 0.00 N ATOM 228 CZ ARG A 19 2.003 -18.675 -5.349 1.00 0.00 C ATOM 229 NH1 ARG A 19 1.421 -17.935 -4.415 1.00 0.00 N ATOM 230 NH2 ARG A 19 1.498 -19.862 -5.660 1.00 0.00 N ATOM 0 H ARG A 19 6.172 -17.764 -9.077 1.00 0.00 H new ATOM 0 HA ARG A 19 5.006 -15.438 -9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.543 -15.702 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.036 -17.318 -8.481 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.559 -17.493 -6.627 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.427 -15.784 -6.265 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.060 -16.920 -4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.961 -16.148 -5.788 1.00 0.00 H new ATOM 0 HE ARG A 19 3.511 -18.822 -6.687 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.806 -17.022 -4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.588 -18.279 -3.937 1.00 0.00 H new ATOM 0 HH21 ARG A 19 1.943 -20.433 -6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.665 -20.203 -5.180 1.00 0.00 H new ATOM 244 N LEU A 20 7.307 -14.856 -7.678 1.00 0.00 N ATOM 245 CA LEU A 20 8.051 -13.811 -6.982 1.00 0.00 C ATOM 246 C LEU A 20 9.051 -13.140 -7.917 1.00 0.00 C ATOM 247 O LEU A 20 10.019 -13.761 -8.356 1.00 0.00 O ATOM 248 CB LEU A 20 8.780 -14.397 -5.772 1.00 0.00 C ATOM 249 CG LEU A 20 7.895 -15.010 -4.686 1.00 0.00 C ATOM 250 CD1 LEU A 20 8.743 -15.732 -3.650 1.00 0.00 C ATOM 251 CD2 LEU A 20 7.041 -13.938 -4.026 1.00 0.00 C ATOM 0 H LEU A 20 7.757 -15.771 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 20 7.340 -13.059 -6.641 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.470 -15.163 -6.125 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.382 -13.609 -5.320 1.00 0.00 H new ATOM 0 HG LEU A 20 7.232 -15.738 -5.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.096 -16.162 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.310 -16.527 -4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.432 -15.025 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.418 -14.392 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.687 -13.186 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.406 -13.466 -4.776 1.00 0.00 H new ATOM 263 N ARG A 21 8.812 -11.867 -8.216 1.00 0.00 N ATOM 264 CA ARG A 21 9.693 -11.111 -9.098 1.00 0.00 C ATOM 265 C ARG A 21 10.067 -9.770 -8.474 1.00 0.00 C ATOM 266 O ARG A 21 9.306 -9.204 -7.688 1.00 0.00 O ATOM 267 CB ARG A 21 9.020 -10.885 -10.453 1.00 0.00 C ATOM 268 CG ARG A 21 10.003 -10.651 -11.589 1.00 0.00 C ATOM 269 CD ARG A 21 9.404 -11.036 -12.933 1.00 0.00 C ATOM 270 NE ARG A 21 9.589 -12.455 -13.228 1.00 0.00 N ATOM 271 CZ ARG A 21 10.687 -12.953 -13.783 1.00 0.00 C ATOM 272 NH1 ARG A 21 11.694 -12.151 -14.103 1.00 0.00 N ATOM 273 NH2 ARG A 21 10.781 -14.255 -14.021 1.00 0.00 N ATOM 0 H ARG A 21 8.016 -11.338 -7.860 1.00 0.00 H new ATOM 0 HA ARG A 21 10.604 -11.691 -9.244 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.402 -11.751 -10.691 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.352 -10.027 -10.379 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.296 -9.601 -11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 21 10.909 -11.232 -11.413 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.340 -10.801 -12.936 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.865 -10.439 -13.720 1.00 0.00 H new ATOM 0 HE ARG A 21 8.833 -13.098 -12.995 1.00 0.00 H new ATOM 0 HH11 ARG A 21 11.625 -11.149 -13.923 1.00 0.00 H new ATOM 0 HH12 ARG A 21 12.537 -12.536 -14.529 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.009 -14.875 -13.777 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.626 -14.636 -14.448 1.00 0.00 H new ATOM 287 N THR A 22 11.245 -9.266 -8.828 1.00 0.00 N ATOM 288 CA THR A 22 11.721 -7.993 -8.302 1.00 0.00 C ATOM 289 C THR A 22 10.752 -6.864 -8.633 1.00 0.00 C ATOM 290 O THR A 22 10.283 -6.152 -7.744 1.00 0.00 O ATOM 291 CB THR A 22 13.112 -7.640 -8.860 1.00 0.00 C ATOM 292 OG1 THR A 22 13.108 -7.742 -10.288 1.00 0.00 O ATOM 293 CG2 THR A 22 14.176 -8.561 -8.284 1.00 0.00 C ATOM 0 H THR A 22 11.887 -9.720 -9.477 1.00 0.00 H new ATOM 0 HA THR A 22 11.789 -8.104 -7.220 1.00 0.00 H new ATOM 0 HB THR A 22 13.345 -6.615 -8.570 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.996 -7.514 -10.635 1.00 0.00 H new ATOM 0 HG21 THR A 22 15.150 -8.292 -8.693 1.00 0.00 H new ATOM 0 HG22 THR A 22 14.197 -8.459 -7.199 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.945 -9.593 -8.547 1.00 0.00 H new ATOM 301 N THR A 23 10.453 -6.704 -9.919 1.00 0.00 N ATOM 302 CA THR A 23 9.539 -5.661 -10.368 1.00 0.00 C ATOM 303 C THR A 23 8.166 -5.819 -9.725 1.00 0.00 C ATOM 304 O THR A 23 7.913 -6.790 -9.011 1.00 0.00 O ATOM 305 CB THR A 23 9.380 -5.675 -11.900 1.00 0.00 C ATOM 306 OG1 THR A 23 9.005 -6.984 -12.342 1.00 0.00 O ATOM 307 CG2 THR A 23 10.674 -5.256 -12.582 1.00 0.00 C ATOM 0 H THR A 23 10.831 -7.284 -10.668 1.00 0.00 H new ATOM 0 HA THR A 23 9.973 -4.708 -10.063 1.00 0.00 H new ATOM 0 HB THR A 23 8.599 -4.964 -12.168 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.904 -6.984 -13.317 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.538 -5.273 -13.663 1.00 0.00 H new ATOM 0 HG22 THR A 23 10.942 -4.248 -12.266 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.471 -5.946 -12.306 1.00 0.00 H new ATOM 315 N ILE A 24 7.284 -4.859 -9.981 1.00 0.00 N ATOM 316 CA ILE A 24 5.936 -4.893 -9.428 1.00 0.00 C ATOM 317 C ILE A 24 4.887 -4.774 -10.528 1.00 0.00 C ATOM 318 O ILE A 24 5.154 -4.231 -11.601 1.00 0.00 O ATOM 319 CB ILE A 24 5.720 -3.764 -8.404 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.809 -3.803 -7.330 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.341 -3.879 -7.772 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.707 -2.678 -6.325 1.00 0.00 C ATOM 0 H ILE A 24 7.479 -4.048 -10.568 1.00 0.00 H new ATOM 0 HA ILE A 24 5.825 -5.854 -8.926 1.00 0.00 H new ATOM 0 HB ILE A 24 5.782 -2.807 -8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.755 -4.756 -6.803 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.785 -3.761 -7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.203 -3.074 -7.050 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.578 -3.806 -8.547 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.252 -4.840 -7.265 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.510 -2.769 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.792 -1.721 -6.840 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.745 -2.732 -5.815 1.00 0.00 H new ATOM 334 N THR A 25 3.691 -5.285 -10.255 1.00 0.00 N ATOM 335 CA THR A 25 2.600 -5.236 -11.221 1.00 0.00 C ATOM 336 C THR A 25 1.571 -4.181 -10.835 1.00 0.00 C ATOM 337 O THR A 25 1.428 -3.816 -9.668 1.00 0.00 O ATOM 338 CB THR A 25 1.897 -6.601 -11.344 1.00 0.00 C ATOM 339 OG1 THR A 25 1.581 -7.109 -10.043 1.00 0.00 O ATOM 340 CG2 THR A 25 2.778 -7.598 -12.083 1.00 0.00 C ATOM 0 H THR A 25 3.453 -5.738 -9.373 1.00 0.00 H new ATOM 0 HA THR A 25 3.041 -4.975 -12.183 1.00 0.00 H new ATOM 0 HB THR A 25 0.977 -6.461 -11.912 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.341 -7.623 -9.699 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.261 -8.555 -12.158 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.993 -7.222 -13.083 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.712 -7.732 -11.538 1.00 0.00 H new ATOM 348 N PRO A 26 0.834 -3.677 -11.836 1.00 0.00 N ATOM 349 CA PRO A 26 -0.196 -2.656 -11.625 1.00 0.00 C ATOM 350 C PRO A 26 -1.408 -3.202 -10.878 1.00 0.00 C ATOM 351 O PRO A 26 -2.251 -2.441 -10.404 1.00 0.00 O ATOM 352 CB PRO A 26 -0.585 -2.245 -13.048 1.00 0.00 C ATOM 353 CG PRO A 26 -0.254 -3.430 -13.888 1.00 0.00 C ATOM 354 CD PRO A 26 0.951 -4.065 -13.252 1.00 0.00 C ATOM 0 HA PRO A 26 0.167 -1.831 -11.013 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.644 -1.997 -13.113 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.031 -1.364 -13.371 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.090 -4.129 -13.924 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.042 -3.133 -14.915 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.946 -5.148 -13.374 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.878 -3.699 -13.694 1.00 0.00 H new ATOM 362 N GLU A 27 -1.489 -4.525 -10.778 1.00 0.00 N ATOM 363 CA GLU A 27 -2.600 -5.172 -10.088 1.00 0.00 C ATOM 364 C GLU A 27 -2.226 -5.502 -8.646 1.00 0.00 C ATOM 365 O GLU A 27 -3.096 -5.650 -7.788 1.00 0.00 O ATOM 366 CB GLU A 27 -3.013 -6.448 -10.825 1.00 0.00 C ATOM 367 CG GLU A 27 -4.006 -6.208 -11.949 1.00 0.00 C ATOM 368 CD GLU A 27 -5.446 -6.312 -11.487 1.00 0.00 C ATOM 369 OE1 GLU A 27 -5.992 -7.435 -11.492 1.00 0.00 O ATOM 370 OE2 GLU A 27 -6.028 -5.270 -11.120 1.00 0.00 O ATOM 0 H GLU A 27 -0.800 -5.169 -11.165 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.441 -4.479 -10.077 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.123 -6.925 -11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.449 -7.146 -10.110 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.835 -5.219 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.830 -6.932 -12.745 1.00 0.00 H new ATOM 377 N GLN A 28 -0.927 -5.615 -8.388 1.00 0.00 N ATOM 378 CA GLN A 28 -0.439 -5.929 -7.051 1.00 0.00 C ATOM 379 C GLN A 28 -0.331 -4.667 -6.201 1.00 0.00 C ATOM 380 O GLN A 28 -0.651 -4.678 -5.012 1.00 0.00 O ATOM 381 CB GLN A 28 0.922 -6.622 -7.131 1.00 0.00 C ATOM 382 CG GLN A 28 0.832 -8.104 -7.456 1.00 0.00 C ATOM 383 CD GLN A 28 2.194 -8.752 -7.610 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.971 -8.389 -8.493 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.491 -9.718 -6.748 1.00 0.00 N ATOM 0 H GLN A 28 -0.194 -5.494 -9.087 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.154 -6.603 -6.580 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.528 -6.128 -7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.440 -6.498 -6.180 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.279 -8.612 -6.666 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.265 -8.236 -8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.817 -9.987 -6.031 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.393 -10.191 -6.803 1.00 0.00 H new ATOM 394 N LEU A 29 0.122 -3.581 -6.818 1.00 0.00 N ATOM 395 CA LEU A 29 0.273 -2.310 -6.118 1.00 0.00 C ATOM 396 C LEU A 29 -0.998 -1.956 -5.353 1.00 0.00 C ATOM 397 O LEU A 29 -0.962 -1.727 -4.144 1.00 0.00 O ATOM 398 CB LEU A 29 0.612 -1.196 -7.110 1.00 0.00 C ATOM 399 CG LEU A 29 2.094 -1.018 -7.439 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.264 -0.331 -8.785 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.792 -0.227 -6.342 1.00 0.00 C ATOM 0 H LEU A 29 0.391 -3.555 -7.802 1.00 0.00 H new ATOM 0 HA LEU A 29 1.089 -2.412 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.075 -1.388 -8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.233 -0.255 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 29 2.554 -2.004 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.326 -0.213 -9.002 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.800 -0.936 -9.564 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.789 0.649 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.846 -0.110 -6.593 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.329 0.756 -6.251 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.701 -0.760 -5.395 1.00 0.00 H new ATOM 413 N GLU A 30 -2.120 -1.915 -6.065 1.00 0.00 N ATOM 414 CA GLU A 30 -3.402 -1.590 -5.451 1.00 0.00 C ATOM 415 C GLU A 30 -3.474 -2.127 -4.024 1.00 0.00 C ATOM 416 O GLU A 30 -3.743 -1.381 -3.082 1.00 0.00 O ATOM 417 CB GLU A 30 -4.551 -2.165 -6.282 1.00 0.00 C ATOM 418 CG GLU A 30 -4.569 -1.671 -7.719 1.00 0.00 C ATOM 419 CD GLU A 30 -5.361 -0.389 -7.885 1.00 0.00 C ATOM 420 OE1 GLU A 30 -5.065 0.588 -7.165 1.00 0.00 O ATOM 421 OE2 GLU A 30 -6.277 -0.361 -8.733 1.00 0.00 O ATOM 0 H GLU A 30 -2.167 -2.103 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.495 -0.504 -5.418 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.480 -3.253 -6.281 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.497 -1.907 -5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.545 -1.507 -8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.996 -2.443 -8.359 1.00 0.00 H new ATOM 428 N ILE A 31 -3.231 -3.424 -3.874 1.00 0.00 N ATOM 429 CA ILE A 31 -3.268 -4.061 -2.563 1.00 0.00 C ATOM 430 C ILE A 31 -2.309 -3.378 -1.594 1.00 0.00 C ATOM 431 O ILE A 31 -2.661 -3.102 -0.446 1.00 0.00 O ATOM 432 CB ILE A 31 -2.911 -5.556 -2.653 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.790 -6.250 -3.696 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.068 -6.221 -1.294 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.112 -7.420 -4.375 1.00 0.00 C ATOM 0 H ILE A 31 -3.006 -4.055 -4.644 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.288 -3.962 -2.192 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.870 -5.648 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.704 -6.599 -3.215 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.086 -5.523 -4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.812 -7.277 -1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.405 -5.740 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.100 -6.122 -0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.793 -7.864 -5.101 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.213 -7.074 -4.885 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.841 -8.167 -3.629 1.00 0.00 H new ATOM 447 N LEU A 32 -1.096 -3.108 -2.063 1.00 0.00 N ATOM 448 CA LEU A 32 -0.085 -2.455 -1.238 1.00 0.00 C ATOM 449 C LEU A 32 -0.534 -1.056 -0.831 1.00 0.00 C ATOM 450 O LEU A 32 -0.420 -0.670 0.333 1.00 0.00 O ATOM 451 CB LEU A 32 1.244 -2.377 -1.992 1.00 0.00 C ATOM 452 CG LEU A 32 1.744 -3.684 -2.608 1.00 0.00 C ATOM 453 CD1 LEU A 32 3.013 -3.444 -3.412 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.985 -4.726 -1.526 1.00 0.00 C ATOM 0 H LEU A 32 -0.788 -3.331 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 32 0.051 -3.050 -0.335 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.145 -1.638 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.006 -2.007 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 32 0.976 -4.062 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.354 -4.385 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.808 -2.732 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.787 -3.042 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.340 -5.650 -1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.734 -4.356 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.054 -4.920 -0.994 1.00 0.00 H new ATOM 466 N TYR A 33 -1.048 -0.301 -1.796 1.00 0.00 N ATOM 467 CA TYR A 33 -1.515 1.056 -1.538 1.00 0.00 C ATOM 468 C TYR A 33 -2.688 1.052 -0.562 1.00 0.00 C ATOM 469 O TYR A 33 -2.714 1.824 0.396 1.00 0.00 O ATOM 470 CB TYR A 33 -1.927 1.733 -2.846 1.00 0.00 C ATOM 471 CG TYR A 33 -0.760 2.265 -3.647 1.00 0.00 C ATOM 472 CD1 TYR A 33 0.058 3.267 -3.138 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.475 1.766 -4.912 1.00 0.00 C ATOM 474 CE1 TYR A 33 1.125 3.756 -3.866 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.590 2.249 -5.647 1.00 0.00 C ATOM 476 CZ TYR A 33 1.387 3.243 -5.120 1.00 0.00 C ATOM 477 OH TYR A 33 2.449 3.727 -5.849 1.00 0.00 O ATOM 0 H TYR A 33 -1.152 -0.606 -2.764 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.695 1.617 -1.089 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.480 1.019 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.607 2.555 -2.621 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.144 3.670 -2.157 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.097 0.987 -5.328 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.751 4.535 -3.456 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.797 1.850 -6.629 1.00 0.00 H new ATOM 0 HH TYR A 33 2.496 3.259 -6.709 1.00 0.00 H new ATOM 487 N GLN A 34 -3.655 0.176 -0.814 1.00 0.00 N ATOM 488 CA GLN A 34 -4.831 0.071 0.041 1.00 0.00 C ATOM 489 C GLN A 34 -4.434 -0.268 1.474 1.00 0.00 C ATOM 490 O GLN A 34 -5.027 0.233 2.430 1.00 0.00 O ATOM 491 CB GLN A 34 -5.789 -0.992 -0.500 1.00 0.00 C ATOM 492 CG GLN A 34 -6.813 -0.445 -1.481 1.00 0.00 C ATOM 493 CD GLN A 34 -7.502 0.805 -0.970 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.064 1.962 -1.452 1.00 0.00 O flip ATOM 495 NE2 GLN A 34 -8.418 0.731 -0.150 1.00 0.00 N flip ATOM 0 H GLN A 34 -3.647 -0.471 -1.603 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.335 1.037 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.210 -1.775 -0.990 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.311 -1.458 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.321 -0.222 -2.428 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.562 -1.211 -1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.723 -0.180 0.194 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.872 1.581 0.185 1.00 0.00 H new ATOM 504 N LYS A 35 -3.426 -1.122 1.617 1.00 0.00 N ATOM 505 CA LYS A 35 -2.948 -1.529 2.933 1.00 0.00 C ATOM 506 C LYS A 35 -2.168 -0.401 3.601 1.00 0.00 C ATOM 507 O LYS A 35 -2.171 -0.271 4.825 1.00 0.00 O ATOM 508 CB LYS A 35 -2.064 -2.773 2.815 1.00 0.00 C ATOM 509 CG LYS A 35 -2.805 -3.999 2.309 1.00 0.00 C ATOM 510 CD LYS A 35 -3.482 -4.749 3.444 1.00 0.00 C ATOM 511 CE LYS A 35 -4.357 -5.879 2.922 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.114 -6.545 4.017 1.00 0.00 N ATOM 0 H LYS A 35 -2.924 -1.546 0.837 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.815 -1.764 3.550 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.234 -2.557 2.142 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.633 -2.996 3.791 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.552 -3.697 1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.107 -4.662 1.799 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.725 -5.154 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.089 -4.057 4.028 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.056 -5.486 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.735 -6.614 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -5.698 -7.309 3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.447 -6.943 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.727 -5.849 4.488 1.00 0.00 H new ATOM 526 N TYR A 36 -1.504 0.414 2.789 1.00 0.00 N ATOM 527 CA TYR A 36 -0.719 1.531 3.302 1.00 0.00 C ATOM 528 C TYR A 36 -1.626 2.676 3.744 1.00 0.00 C ATOM 529 O TYR A 36 -1.459 3.232 4.831 1.00 0.00 O ATOM 530 CB TYR A 36 0.262 2.024 2.237 1.00 0.00 C ATOM 531 CG TYR A 36 1.045 3.248 2.656 1.00 0.00 C ATOM 532 CD1 TYR A 36 0.526 4.524 2.475 1.00 0.00 C ATOM 533 CD2 TYR A 36 2.304 3.128 3.231 1.00 0.00 C ATOM 534 CE1 TYR A 36 1.239 5.645 2.856 1.00 0.00 C ATOM 535 CE2 TYR A 36 3.023 4.243 3.616 1.00 0.00 C ATOM 536 CZ TYR A 36 2.486 5.499 3.426 1.00 0.00 C ATOM 537 OH TYR A 36 3.200 6.613 3.806 1.00 0.00 O ATOM 0 H TYR A 36 -1.494 0.322 1.773 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.158 1.181 4.168 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.959 1.221 1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.289 2.250 1.324 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.451 4.642 2.029 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.728 2.146 3.380 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.822 6.630 2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.000 4.132 4.063 1.00 0.00 H new ATOM 0 HH TYR A 36 3.107 6.747 4.772 1.00 0.00 H new ATOM 547 N LEU A 37 -2.586 3.023 2.894 1.00 0.00 N ATOM 548 CA LEU A 37 -3.521 4.101 3.196 1.00 0.00 C ATOM 549 C LEU A 37 -4.176 3.889 4.557 1.00 0.00 C ATOM 550 O LEU A 37 -4.340 4.832 5.333 1.00 0.00 O ATOM 551 CB LEU A 37 -4.594 4.191 2.109 1.00 0.00 C ATOM 552 CG LEU A 37 -4.097 4.524 0.701 1.00 0.00 C ATOM 553 CD1 LEU A 37 -5.127 4.111 -0.339 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.784 6.008 0.584 1.00 0.00 C ATOM 0 H LEU A 37 -2.737 2.574 1.991 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.962 5.036 3.225 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.124 3.239 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.320 4.948 2.405 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.180 3.964 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.757 4.355 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.303 3.037 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.061 4.644 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.432 6.227 -0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.685 6.587 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.011 6.275 1.305 1.00 0.00 H new ATOM 566 N LEU A 38 -4.548 2.646 4.841 1.00 0.00 N ATOM 567 CA LEU A 38 -5.184 2.309 6.110 1.00 0.00 C ATOM 568 C LEU A 38 -4.139 2.012 7.181 1.00 0.00 C ATOM 569 O LEU A 38 -4.334 2.321 8.356 1.00 0.00 O ATOM 570 CB LEU A 38 -6.108 1.103 5.936 1.00 0.00 C ATOM 571 CG LEU A 38 -5.456 -0.271 6.093 1.00 0.00 C ATOM 572 CD1 LEU A 38 -5.470 -0.704 7.551 1.00 0.00 C ATOM 573 CD2 LEU A 38 -6.163 -1.299 5.223 1.00 0.00 C ATOM 0 H LEU A 38 -4.420 1.855 4.210 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.774 3.168 6.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.918 1.184 6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.560 1.157 4.946 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.419 -0.200 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.002 -1.684 7.644 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.918 0.020 8.151 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.500 -0.759 7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.686 -2.271 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.210 -1.368 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.101 -0.995 4.178 1.00 0.00 H new ATOM 585 N ASP A 39 -3.028 1.414 6.766 1.00 0.00 N ATOM 586 CA ASP A 39 -1.950 1.078 7.688 1.00 0.00 C ATOM 587 C ASP A 39 -0.591 1.213 7.008 1.00 0.00 C ATOM 588 O ASP A 39 -0.204 0.371 6.198 1.00 0.00 O ATOM 589 CB ASP A 39 -2.129 -0.345 8.220 1.00 0.00 C ATOM 590 CG ASP A 39 -0.807 -1.011 8.549 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.060 -0.342 9.149 1.00 0.00 O ATOM 592 OD2 ASP A 39 -0.639 -2.200 8.206 1.00 0.00 O ATOM 0 H ASP A 39 -2.850 1.152 5.796 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.989 1.777 8.523 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.752 -0.320 9.114 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.659 -0.943 7.479 1.00 0.00 H new ATOM 597 N SER A 40 0.129 2.279 7.343 1.00 0.00 N ATOM 598 CA SER A 40 1.443 2.528 6.761 1.00 0.00 C ATOM 599 C SER A 40 2.543 2.330 7.799 1.00 0.00 C ATOM 600 O SER A 40 3.718 2.578 7.530 1.00 0.00 O ATOM 601 CB SER A 40 1.512 3.946 6.192 1.00 0.00 C ATOM 602 OG SER A 40 1.076 4.900 7.145 1.00 0.00 O ATOM 0 H SER A 40 -0.175 2.984 8.014 1.00 0.00 H new ATOM 0 HA SER A 40 1.597 1.813 5.953 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.535 4.171 5.890 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.893 4.013 5.297 1.00 0.00 H new ATOM 0 HG SER A 40 1.131 5.798 6.757 1.00 0.00 H new ATOM 608 N ASN A 41 2.153 1.881 8.987 1.00 0.00 N ATOM 609 CA ASN A 41 3.105 1.649 10.068 1.00 0.00 C ATOM 610 C ASN A 41 3.007 0.216 10.582 1.00 0.00 C ATOM 611 O ASN A 41 2.983 -0.037 11.787 1.00 0.00 O ATOM 612 CB ASN A 41 2.857 2.633 11.213 1.00 0.00 C ATOM 613 CG ASN A 41 3.656 3.912 11.060 1.00 0.00 C ATOM 614 OD1 ASN A 41 4.746 4.047 11.616 1.00 0.00 O ATOM 615 ND2 ASN A 41 3.115 4.861 10.304 1.00 0.00 N ATOM 0 H ASN A 41 1.184 1.670 9.226 1.00 0.00 H new ATOM 0 HA ASN A 41 4.109 1.806 9.674 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.795 2.875 11.257 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.115 2.158 12.159 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.606 5.744 10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.209 4.706 9.862 1.00 0.00 H new ATOM 622 N PRO A 42 2.949 -0.745 9.648 1.00 0.00 N ATOM 623 CA PRO A 42 2.854 -2.169 9.983 1.00 0.00 C ATOM 624 C PRO A 42 4.141 -2.707 10.598 1.00 0.00 C ATOM 625 O PRO A 42 5.080 -1.954 10.857 1.00 0.00 O ATOM 626 CB PRO A 42 2.588 -2.834 8.630 1.00 0.00 C ATOM 627 CG PRO A 42 3.163 -1.895 7.627 1.00 0.00 C ATOM 628 CD PRO A 42 2.973 -0.515 8.194 1.00 0.00 C ATOM 0 HA PRO A 42 2.082 -2.362 10.728 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.061 -3.814 8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.521 -2.984 8.466 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.219 -2.105 7.457 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.659 -1.995 6.666 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.785 0.153 7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.046 -0.060 7.844 1.00 0.00 H new ATOM 636 N THR A 43 4.179 -4.016 10.828 1.00 0.00 N ATOM 637 CA THR A 43 5.351 -4.655 11.413 1.00 0.00 C ATOM 638 C THR A 43 5.805 -5.845 10.574 1.00 0.00 C ATOM 639 O THR A 43 5.056 -6.347 9.736 1.00 0.00 O ATOM 640 CB THR A 43 5.073 -5.132 12.851 1.00 0.00 C ATOM 641 OG1 THR A 43 6.271 -5.653 13.435 1.00 0.00 O ATOM 642 CG2 THR A 43 3.989 -6.200 12.866 1.00 0.00 C ATOM 0 H THR A 43 3.411 -4.654 10.618 1.00 0.00 H new ATOM 0 HA THR A 43 6.142 -3.905 11.434 1.00 0.00 H new ATOM 0 HB THR A 43 4.728 -4.278 13.433 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.086 -5.952 14.350 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.809 -6.522 13.892 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.069 -5.791 12.448 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.311 -7.053 12.269 1.00 0.00 H new ATOM 650 N ARG A 44 7.035 -6.291 10.805 1.00 0.00 N ATOM 651 CA ARG A 44 7.588 -7.422 10.070 1.00 0.00 C ATOM 652 C ARG A 44 6.530 -8.500 9.855 1.00 0.00 C ATOM 653 O ARG A 44 6.418 -9.067 8.767 1.00 0.00 O ATOM 654 CB ARG A 44 8.785 -8.009 10.820 1.00 0.00 C ATOM 655 CG ARG A 44 9.629 -8.952 9.978 1.00 0.00 C ATOM 656 CD ARG A 44 10.668 -8.196 9.166 1.00 0.00 C ATOM 657 NE ARG A 44 11.314 -9.050 8.173 1.00 0.00 N ATOM 658 CZ ARG A 44 12.521 -8.810 7.671 1.00 0.00 C ATOM 659 NH1 ARG A 44 13.208 -7.748 8.068 1.00 0.00 N ATOM 660 NH2 ARG A 44 13.042 -9.633 6.771 1.00 0.00 N ATOM 0 H ARG A 44 7.668 -5.886 11.495 1.00 0.00 H new ATOM 0 HA ARG A 44 7.919 -7.063 9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 44 9.414 -7.194 11.178 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.425 -8.544 11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.127 -9.673 10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.983 -9.519 9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 44 10.193 -7.353 8.665 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.423 -7.785 9.836 1.00 0.00 H new ATOM 0 HE ARG A 44 10.812 -9.876 7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.810 -7.113 8.760 1.00 0.00 H new ATOM 0 HH12 ARG A 44 14.134 -7.566 7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.516 -10.451 6.463 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.968 -9.448 6.386 1.00 0.00 H new ATOM 674 N LYS A 45 5.756 -8.779 10.898 1.00 0.00 N ATOM 675 CA LYS A 45 4.707 -9.788 10.824 1.00 0.00 C ATOM 676 C LYS A 45 3.730 -9.476 9.695 1.00 0.00 C ATOM 677 O LYS A 45 3.447 -10.328 8.854 1.00 0.00 O ATOM 678 CB LYS A 45 3.955 -9.870 12.155 1.00 0.00 C ATOM 679 CG LYS A 45 3.068 -11.097 12.279 1.00 0.00 C ATOM 680 CD LYS A 45 3.889 -12.362 12.465 1.00 0.00 C ATOM 681 CE LYS A 45 3.061 -13.609 12.194 1.00 0.00 C ATOM 682 NZ LYS A 45 3.064 -13.973 10.750 1.00 0.00 N ATOM 0 H LYS A 45 5.836 -8.320 11.805 1.00 0.00 H new ATOM 0 HA LYS A 45 5.177 -10.750 10.619 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.677 -9.871 12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.342 -8.976 12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.391 -10.974 13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.449 -11.192 11.387 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.748 -12.341 11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.280 -12.397 13.482 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.454 -14.440 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.036 -13.443 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.489 -14.828 10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.665 -13.190 10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.040 -14.156 10.440 1.00 0.00 H new ATOM 696 N MET A 46 3.219 -8.249 9.683 1.00 0.00 N ATOM 697 CA MET A 46 2.275 -7.825 8.655 1.00 0.00 C ATOM 698 C MET A 46 2.924 -7.859 7.275 1.00 0.00 C ATOM 699 O MET A 46 2.428 -8.520 6.361 1.00 0.00 O ATOM 700 CB MET A 46 1.761 -6.416 8.955 1.00 0.00 C ATOM 701 CG MET A 46 1.177 -6.266 10.351 1.00 0.00 C ATOM 702 SD MET A 46 -0.599 -6.578 10.397 1.00 0.00 S ATOM 703 CE MET A 46 -0.666 -8.250 9.758 1.00 0.00 C ATOM 0 H MET A 46 3.442 -7.532 10.373 1.00 0.00 H new ATOM 0 HA MET A 46 1.435 -8.519 8.659 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.579 -5.706 8.834 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.999 -6.152 8.221 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.681 -6.956 11.028 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.375 -5.259 10.717 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.586 -8.730 10.091 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.644 -8.224 8.669 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.191 -8.814 10.125 1.00 0.00 H new ATOM 713 N LEU A 47 4.033 -7.144 7.130 1.00 0.00 N ATOM 714 CA LEU A 47 4.750 -7.092 5.860 1.00 0.00 C ATOM 715 C LEU A 47 4.862 -8.482 5.241 1.00 0.00 C ATOM 716 O LEU A 47 4.711 -8.648 4.031 1.00 0.00 O ATOM 717 CB LEU A 47 6.144 -6.497 6.062 1.00 0.00 C ATOM 718 CG LEU A 47 6.192 -5.050 6.555 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.628 -4.620 6.810 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.525 -4.122 5.549 1.00 0.00 C ATOM 0 H LEU A 47 4.456 -6.592 7.876 1.00 0.00 H new ATOM 0 HA LEU A 47 4.186 -6.455 5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.683 -7.121 6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.683 -6.555 5.116 1.00 0.00 H new ATOM 0 HG LEU A 47 5.644 -4.988 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.642 -3.588 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.072 -5.266 7.567 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.201 -4.697 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.568 -3.096 5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.045 -4.188 4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.484 -4.417 5.417 1.00 0.00 H new ATOM 732 N ASP A 48 5.127 -9.477 6.080 1.00 0.00 N ATOM 733 CA ASP A 48 5.256 -10.854 5.617 1.00 0.00 C ATOM 734 C ASP A 48 3.924 -11.376 5.087 1.00 0.00 C ATOM 735 O ASP A 48 3.861 -11.963 4.006 1.00 0.00 O ATOM 736 CB ASP A 48 5.756 -11.751 6.750 1.00 0.00 C ATOM 737 CG ASP A 48 6.364 -13.043 6.240 1.00 0.00 C ATOM 738 OD1 ASP A 48 6.841 -13.060 5.086 1.00 0.00 O ATOM 739 OD2 ASP A 48 6.364 -14.037 6.996 1.00 0.00 O ATOM 0 H ASP A 48 5.257 -9.356 7.084 1.00 0.00 H new ATOM 0 HA ASP A 48 5.982 -10.872 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.498 -11.210 7.337 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.927 -11.982 7.419 1.00 0.00 H new ATOM 744 N HIS A 49 2.862 -11.161 5.857 1.00 0.00 N ATOM 745 CA HIS A 49 1.531 -11.611 5.465 1.00 0.00 C ATOM 746 C HIS A 49 1.093 -10.944 4.165 1.00 0.00 C ATOM 747 O HIS A 49 0.846 -11.618 3.163 1.00 0.00 O ATOM 748 CB HIS A 49 0.521 -11.308 6.572 1.00 0.00 C ATOM 749 CG HIS A 49 -0.862 -11.800 6.274 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.254 -13.107 6.471 1.00 0.00 N ATOM 751 CD2 HIS A 49 -1.947 -11.152 5.790 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.520 -13.243 6.121 1.00 0.00 C ATOM 753 NE2 HIS A 49 -2.965 -12.071 5.705 1.00 0.00 N ATOM 0 H HIS A 49 2.897 -10.679 6.755 1.00 0.00 H new ATOM 0 HA HIS A 49 1.571 -12.688 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.866 -11.761 7.501 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.487 -10.231 6.736 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.002 -10.108 5.521 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.094 -14.157 6.167 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.911 -11.879 5.374 1.00 0.00 H new ATOM 762 N ILE A 50 0.997 -9.619 4.187 1.00 0.00 N ATOM 763 CA ILE A 50 0.589 -8.863 3.010 1.00 0.00 C ATOM 764 C ILE A 50 1.338 -9.334 1.768 1.00 0.00 C ATOM 765 O ILE A 50 0.734 -9.587 0.726 1.00 0.00 O ATOM 766 CB ILE A 50 0.830 -7.353 3.199 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.031 -6.834 4.396 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.455 -6.595 1.935 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.683 -5.661 5.095 1.00 0.00 C ATOM 0 H ILE A 50 1.196 -9.047 5.008 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.478 -9.038 2.877 1.00 0.00 H new ATOM 0 HB ILE A 50 1.890 -7.190 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.963 -6.539 4.059 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.103 -7.645 5.112 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.631 -5.530 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.064 -6.950 1.104 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.599 -6.761 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.062 -5.346 5.933 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.665 -5.957 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.792 -4.834 4.393 1.00 0.00 H new ATOM 781 N ALA A 51 2.656 -9.450 1.887 1.00 0.00 N ATOM 782 CA ALA A 51 3.487 -9.895 0.774 1.00 0.00 C ATOM 783 C ALA A 51 3.130 -11.317 0.356 1.00 0.00 C ATOM 784 O ALA A 51 3.404 -11.730 -0.771 1.00 0.00 O ATOM 785 CB ALA A 51 4.960 -9.807 1.148 1.00 0.00 C ATOM 0 H ALA A 51 3.172 -9.242 2.742 1.00 0.00 H new ATOM 0 HA ALA A 51 3.298 -9.237 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.569 -10.142 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.213 -8.775 1.391 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.154 -10.441 2.013 1.00 0.00 H new ATOM 791 N HIS A 52 2.517 -12.062 1.271 1.00 0.00 N ATOM 792 CA HIS A 52 2.122 -13.438 0.996 1.00 0.00 C ATOM 793 C HIS A 52 0.826 -13.482 0.192 1.00 0.00 C ATOM 794 O HIS A 52 0.667 -14.313 -0.701 1.00 0.00 O ATOM 795 CB HIS A 52 1.952 -14.213 2.303 1.00 0.00 C ATOM 796 CG HIS A 52 1.648 -15.666 2.103 1.00 0.00 C ATOM 797 ND1 HIS A 52 0.617 -16.277 1.474 1.00 0.00 N flip ATOM 798 CD2 HIS A 52 2.456 -16.676 2.581 1.00 0.00 C flip ATOM 799 CE1 HIS A 52 0.819 -17.631 1.581 1.00 0.00 C flip ATOM 800 NE2 HIS A 52 1.936 -17.845 2.253 1.00 0.00 N flip ATOM 0 H HIS A 52 2.283 -11.735 2.209 1.00 0.00 H new ATOM 0 HA HIS A 52 2.910 -13.905 0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.864 -14.119 2.893 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.149 -13.759 2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.371 -16.533 3.137 1.00 0.00 H new ATOM 0 HE1 HIS A 52 0.170 -18.396 1.181 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.330 -18.758 2.480 1.00 0.00 H new ATOM 809 N GLU A 53 -0.097 -12.582 0.518 1.00 0.00 N ATOM 810 CA GLU A 53 -1.379 -12.520 -0.174 1.00 0.00 C ATOM 811 C GLU A 53 -1.229 -11.856 -1.540 1.00 0.00 C ATOM 812 O GLU A 53 -1.894 -12.236 -2.503 1.00 0.00 O ATOM 813 CB GLU A 53 -2.401 -11.753 0.669 1.00 0.00 C ATOM 814 CG GLU A 53 -2.325 -10.246 0.494 1.00 0.00 C ATOM 815 CD GLU A 53 -3.509 -9.527 1.113 1.00 0.00 C ATOM 816 OE1 GLU A 53 -4.622 -9.630 0.557 1.00 0.00 O ATOM 817 OE2 GLU A 53 -3.320 -8.861 2.152 1.00 0.00 O ATOM 0 H GLU A 53 0.019 -11.887 1.256 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.733 -13.540 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.403 -12.091 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.248 -11.996 1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.404 -9.877 0.946 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.276 -10.009 -0.569 1.00 0.00 H new ATOM 824 N VAL A 54 -0.351 -10.861 -1.614 1.00 0.00 N ATOM 825 CA VAL A 54 -0.112 -10.144 -2.861 1.00 0.00 C ATOM 826 C VAL A 54 0.720 -10.981 -3.826 1.00 0.00 C ATOM 827 O VAL A 54 0.628 -10.820 -5.042 1.00 0.00 O ATOM 828 CB VAL A 54 0.606 -8.805 -2.610 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.491 -7.900 -3.827 1.00 0.00 C ATOM 830 CG2 VAL A 54 0.042 -8.122 -1.373 1.00 0.00 C ATOM 0 H VAL A 54 0.207 -10.533 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.088 -9.947 -3.304 1.00 0.00 H new ATOM 0 HB VAL A 54 1.663 -9.007 -2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.004 -6.959 -3.630 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.947 -8.389 -4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.561 -7.703 -4.036 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.561 -7.177 -1.211 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.022 -7.932 -1.515 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.182 -8.767 -0.505 1.00 0.00 H new ATOM 840 N GLY A 55 1.532 -11.877 -3.275 1.00 0.00 N ATOM 841 CA GLY A 55 2.369 -12.728 -4.101 1.00 0.00 C ATOM 842 C GLY A 55 3.575 -11.994 -4.653 1.00 0.00 C ATOM 843 O GLY A 55 4.010 -12.255 -5.775 1.00 0.00 O ATOM 0 H GLY A 55 1.626 -12.029 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.705 -13.582 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.778 -13.122 -4.927 1.00 0.00 H new ATOM 847 N LEU A 56 4.116 -11.072 -3.864 1.00 0.00 N ATOM 848 CA LEU A 56 5.279 -10.295 -4.281 1.00 0.00 C ATOM 849 C LEU A 56 6.427 -10.460 -3.291 1.00 0.00 C ATOM 850 O LEU A 56 6.209 -10.581 -2.085 1.00 0.00 O ATOM 851 CB LEU A 56 4.910 -8.817 -4.410 1.00 0.00 C ATOM 852 CG LEU A 56 5.830 -7.970 -5.291 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.690 -8.373 -6.751 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.524 -6.490 -5.113 1.00 0.00 C ATOM 0 H LEU A 56 3.768 -10.844 -2.933 1.00 0.00 H new ATOM 0 HA LEU A 56 5.605 -10.667 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.897 -8.749 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.892 -8.379 -3.412 1.00 0.00 H new ATOM 0 HG LEU A 56 6.861 -8.147 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.352 -7.760 -7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.959 -9.423 -6.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.659 -8.225 -7.072 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.188 -5.902 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.489 -6.296 -5.393 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.676 -6.210 -4.071 1.00 0.00 H new ATOM 866 N LYS A 57 7.652 -10.462 -3.807 1.00 0.00 N ATOM 867 CA LYS A 57 8.836 -10.608 -2.969 1.00 0.00 C ATOM 868 C LYS A 57 8.696 -9.799 -1.684 1.00 0.00 C ATOM 869 O LYS A 57 8.589 -8.573 -1.718 1.00 0.00 O ATOM 870 CB LYS A 57 10.085 -10.161 -3.733 1.00 0.00 C ATOM 871 CG LYS A 57 10.460 -11.084 -4.879 1.00 0.00 C ATOM 872 CD LYS A 57 11.408 -12.181 -4.423 1.00 0.00 C ATOM 873 CE LYS A 57 12.830 -11.662 -4.271 1.00 0.00 C ATOM 874 NZ LYS A 57 13.740 -12.695 -3.704 1.00 0.00 N ATOM 0 H LYS A 57 7.850 -10.364 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 57 8.936 -11.661 -2.705 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.921 -9.157 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.923 -10.099 -3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.558 -11.531 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.928 -10.505 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.065 -12.588 -3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.393 -12.999 -5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.205 -11.341 -5.243 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.829 -10.785 -3.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.699 -12.302 -3.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.396 -12.983 -2.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.761 -13.522 -4.334 1.00 0.00 H new ATOM 888 N LYS A 58 8.699 -10.493 -0.550 1.00 0.00 N ATOM 889 CA LYS A 58 8.575 -9.839 0.747 1.00 0.00 C ATOM 890 C LYS A 58 9.422 -8.572 0.801 1.00 0.00 C ATOM 891 O LYS A 58 8.927 -7.497 1.142 1.00 0.00 O ATOM 892 CB LYS A 58 8.997 -10.796 1.865 1.00 0.00 C ATOM 893 CG LYS A 58 8.278 -10.549 3.180 1.00 0.00 C ATOM 894 CD LYS A 58 8.815 -9.315 3.886 1.00 0.00 C ATOM 895 CE LYS A 58 9.981 -9.658 4.800 1.00 0.00 C ATOM 896 NZ LYS A 58 11.286 -9.579 4.087 1.00 0.00 N ATOM 0 H LYS A 58 8.786 -11.508 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 58 7.530 -9.562 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.809 -11.821 1.545 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.071 -10.704 2.025 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.211 -10.428 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.393 -11.418 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.135 -8.582 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.018 -8.853 4.469 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.989 -8.975 5.650 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.846 -10.663 5.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.706 -10.528 4.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.136 -9.204 3.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.929 -8.949 4.608 1.00 0.00 H new ATOM 910 N ARG A 59 10.700 -8.705 0.462 1.00 0.00 N ATOM 911 CA ARG A 59 11.615 -7.570 0.472 1.00 0.00 C ATOM 912 C ARG A 59 11.002 -6.371 -0.245 1.00 0.00 C ATOM 913 O ARG A 59 10.925 -5.275 0.310 1.00 0.00 O ATOM 914 CB ARG A 59 12.941 -7.951 -0.191 1.00 0.00 C ATOM 915 CG ARG A 59 14.099 -7.049 0.203 1.00 0.00 C ATOM 916 CD ARG A 59 14.567 -7.330 1.622 1.00 0.00 C ATOM 917 NE ARG A 59 15.255 -8.613 1.729 1.00 0.00 N ATOM 918 CZ ARG A 59 16.511 -8.808 1.342 1.00 0.00 C ATOM 919 NH1 ARG A 59 17.212 -7.808 0.826 1.00 0.00 N ATOM 920 NH2 ARG A 59 17.068 -10.006 1.470 1.00 0.00 N ATOM 0 H ARG A 59 11.125 -9.587 0.177 1.00 0.00 H new ATOM 0 HA ARG A 59 11.801 -7.295 1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.187 -8.980 0.072 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.819 -7.919 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.927 -7.195 -0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.794 -6.006 0.119 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.235 -6.533 1.948 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.709 -7.322 2.295 1.00 0.00 H new ATOM 0 HE ARG A 59 14.744 -9.403 2.122 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.787 -6.886 0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.176 -7.961 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.532 -10.778 1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 59 18.032 -10.154 1.173 1.00 0.00 H new ATOM 934 N VAL A 60 10.568 -6.587 -1.483 1.00 0.00 N ATOM 935 CA VAL A 60 9.961 -5.525 -2.276 1.00 0.00 C ATOM 936 C VAL A 60 8.790 -4.887 -1.537 1.00 0.00 C ATOM 937 O VAL A 60 8.618 -3.668 -1.559 1.00 0.00 O ATOM 938 CB VAL A 60 9.469 -6.052 -3.637 1.00 0.00 C ATOM 939 CG1 VAL A 60 8.652 -4.990 -4.358 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.645 -6.501 -4.491 1.00 0.00 C ATOM 0 H VAL A 60 10.626 -7.488 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 60 10.733 -4.774 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 60 8.826 -6.914 -3.462 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.313 -5.381 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.788 -4.721 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.269 -4.107 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.279 -6.870 -5.449 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.315 -5.658 -4.659 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.185 -7.297 -3.978 1.00 0.00 H new ATOM 950 N VAL A 61 7.988 -5.719 -0.881 1.00 0.00 N ATOM 951 CA VAL A 61 6.833 -5.237 -0.133 1.00 0.00 C ATOM 952 C VAL A 61 7.264 -4.532 1.148 1.00 0.00 C ATOM 953 O VAL A 61 6.592 -3.615 1.619 1.00 0.00 O ATOM 954 CB VAL A 61 5.875 -6.389 0.225 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.763 -5.895 1.137 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.303 -7.017 -1.037 1.00 0.00 C ATOM 0 H VAL A 61 8.117 -6.730 -0.852 1.00 0.00 H new ATOM 0 HA VAL A 61 6.312 -4.528 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 61 6.437 -7.154 0.761 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.096 -6.723 1.379 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.195 -5.497 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.199 -5.111 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.628 -7.829 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.755 -6.263 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.115 -7.409 -1.649 1.00 0.00 H new ATOM 966 N GLN A 62 8.389 -4.967 1.707 1.00 0.00 N ATOM 967 CA GLN A 62 8.909 -4.378 2.935 1.00 0.00 C ATOM 968 C GLN A 62 9.503 -2.999 2.667 1.00 0.00 C ATOM 969 O GLN A 62 9.288 -2.059 3.434 1.00 0.00 O ATOM 970 CB GLN A 62 9.969 -5.290 3.555 1.00 0.00 C ATOM 971 CG GLN A 62 10.956 -4.557 4.449 1.00 0.00 C ATOM 972 CD GLN A 62 12.043 -5.466 4.987 1.00 0.00 C ATOM 973 OE1 GLN A 62 11.642 -6.607 5.536 1.00 0.00 O flip ATOM 974 NE2 GLN A 62 13.229 -5.147 4.911 1.00 0.00 N flip ATOM 0 H GLN A 62 8.957 -5.725 1.329 1.00 0.00 H new ATOM 0 HA GLN A 62 8.080 -4.268 3.635 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.473 -6.067 4.137 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.517 -5.791 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.414 -3.743 3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.419 -4.106 5.283 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.492 -4.260 4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.949 -5.769 5.278 1.00 0.00 H new ATOM 983 N VAL A 63 10.251 -2.884 1.575 1.00 0.00 N ATOM 984 CA VAL A 63 10.876 -1.619 1.205 1.00 0.00 C ATOM 985 C VAL A 63 9.863 -0.670 0.575 1.00 0.00 C ATOM 986 O VAL A 63 9.906 0.539 0.803 1.00 0.00 O ATOM 987 CB VAL A 63 12.042 -1.835 0.222 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.616 -0.500 -0.227 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.119 -2.702 0.856 1.00 0.00 C ATOM 0 H VAL A 63 10.439 -3.652 0.930 1.00 0.00 H new ATOM 0 HA VAL A 63 11.263 -1.176 2.123 1.00 0.00 H new ATOM 0 HB VAL A 63 11.662 -2.354 -0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.439 -0.673 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.839 0.082 -0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 63 12.982 0.049 0.641 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.935 -2.844 0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.498 -2.213 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.696 -3.671 1.122 1.00 0.00 H new ATOM 999 N TRP A 64 8.954 -1.225 -0.218 1.00 0.00 N ATOM 1000 CA TRP A 64 7.929 -0.427 -0.881 1.00 0.00 C ATOM 1001 C TRP A 64 7.194 0.456 0.120 1.00 0.00 C ATOM 1002 O TRP A 64 6.648 1.499 -0.241 1.00 0.00 O ATOM 1003 CB TRP A 64 6.935 -1.337 -1.604 1.00 0.00 C ATOM 1004 CG TRP A 64 5.872 -0.584 -2.346 1.00 0.00 C ATOM 1005 CD1 TRP A 64 5.855 -0.291 -3.680 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.673 -0.027 -1.796 1.00 0.00 C ATOM 1007 NE1 TRP A 64 4.718 0.415 -3.992 1.00 0.00 N ATOM 1008 CE2 TRP A 64 3.976 0.589 -2.853 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.120 0.010 -0.513 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 2.756 1.233 -2.665 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.910 0.650 -0.327 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.238 1.254 -1.398 1.00 0.00 C ATOM 0 H TRP A 64 8.906 -2.224 -0.418 1.00 0.00 H new ATOM 0 HA TRP A 64 8.420 0.216 -1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.477 -1.971 -2.305 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.462 -1.997 -0.877 1.00 0.00 H new ATOM 0 HD1 TRP A 64 6.622 -0.573 -4.386 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.467 0.754 -4.921 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.630 -0.454 0.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.237 1.699 -3.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.475 0.685 0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.293 1.746 -1.220 1.00 0.00 H new ATOM 1023 N PHE A 65 7.183 0.033 1.380 1.00 0.00 N ATOM 1024 CA PHE A 65 6.513 0.786 2.434 1.00 0.00 C ATOM 1025 C PHE A 65 7.422 1.883 2.980 1.00 0.00 C ATOM 1026 O PHE A 65 7.016 3.039 3.095 1.00 0.00 O ATOM 1027 CB PHE A 65 6.087 -0.150 3.567 1.00 0.00 C ATOM 1028 CG PHE A 65 4.706 -0.713 3.392 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.433 -1.606 2.368 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.681 -0.351 4.251 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.163 -2.126 2.204 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.409 -0.867 4.092 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.150 -1.757 3.068 1.00 0.00 C ATOM 0 H PHE A 65 7.631 -0.827 1.696 1.00 0.00 H new ATOM 0 HA PHE A 65 5.626 1.253 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.800 -0.972 3.636 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.133 0.392 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.221 -1.899 1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.879 0.343 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.963 -2.820 1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.619 -0.575 4.767 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.157 -2.164 2.943 1.00 0.00 H new ATOM 1043 N GLN A 66 8.653 1.511 3.315 1.00 0.00 N ATOM 1044 CA GLN A 66 9.620 2.463 3.850 1.00 0.00 C ATOM 1045 C GLN A 66 9.895 3.580 2.849 1.00 0.00 C ATOM 1046 O GLN A 66 10.205 4.707 3.232 1.00 0.00 O ATOM 1047 CB GLN A 66 10.925 1.750 4.208 1.00 0.00 C ATOM 1048 CG GLN A 66 11.856 1.553 3.022 1.00 0.00 C ATOM 1049 CD GLN A 66 13.241 1.097 3.437 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.222 1.821 3.267 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.328 -0.109 3.985 1.00 0.00 N ATOM 0 H GLN A 66 9.005 0.558 3.226 1.00 0.00 H new ATOM 0 HA GLN A 66 9.196 2.905 4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.444 2.324 4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.691 0.777 4.641 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.424 0.818 2.344 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.936 2.489 2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.489 -0.676 4.107 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.234 -0.469 4.284 1.00 0.00 H new ATOM 1060 N ASN A 67 9.779 3.259 1.565 1.00 0.00 N ATOM 1061 CA ASN A 67 10.017 4.236 0.508 1.00 0.00 C ATOM 1062 C ASN A 67 8.870 5.239 0.427 1.00 0.00 C ATOM 1063 O ASN A 67 9.089 6.451 0.425 1.00 0.00 O ATOM 1064 CB ASN A 67 10.188 3.531 -0.839 1.00 0.00 C ATOM 1065 CG ASN A 67 11.614 3.071 -1.073 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.561 3.655 -0.547 1.00 0.00 O ATOM 1067 ND2 ASN A 67 11.772 2.018 -1.867 1.00 0.00 N ATOM 0 H ASN A 67 9.522 2.330 1.231 1.00 0.00 H new ATOM 0 HA ASN A 67 10.933 4.776 0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.520 2.671 -0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.891 4.207 -1.640 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.708 1.662 -2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.958 1.565 -2.282 1.00 0.00 H new ATOM 1074 N THR A 68 7.645 4.726 0.362 1.00 0.00 N ATOM 1075 CA THR A 68 6.464 5.576 0.280 1.00 0.00 C ATOM 1076 C THR A 68 6.456 6.614 1.396 1.00 0.00 C ATOM 1077 O THR A 68 6.267 7.805 1.147 1.00 0.00 O ATOM 1078 CB THR A 68 5.169 4.746 0.358 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.126 3.804 -0.720 1.00 0.00 O ATOM 1080 CG2 THR A 68 3.945 5.647 0.299 1.00 0.00 C ATOM 0 H THR A 68 7.445 3.726 0.365 1.00 0.00 H new ATOM 0 HA THR A 68 6.505 6.083 -0.684 1.00 0.00 H new ATOM 0 HB THR A 68 5.162 4.212 1.308 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.676 3.024 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.042 5.039 0.356 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.966 6.344 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.948 6.205 -0.638 1.00 0.00 H new ATOM 1088 N ARG A 69 6.663 6.156 2.626 1.00 0.00 N ATOM 1089 CA ARG A 69 6.679 7.046 3.781 1.00 0.00 C ATOM 1090 C ARG A 69 7.646 8.206 3.560 1.00 0.00 C ATOM 1091 O ARG A 69 7.281 9.370 3.717 1.00 0.00 O ATOM 1092 CB ARG A 69 7.071 6.274 5.042 1.00 0.00 C ATOM 1093 CG ARG A 69 5.910 5.538 5.691 1.00 0.00 C ATOM 1094 CD ARG A 69 6.260 5.074 7.096 1.00 0.00 C ATOM 1095 NE ARG A 69 7.296 4.045 7.090 1.00 0.00 N ATOM 1096 CZ ARG A 69 8.097 3.802 8.122 1.00 0.00 C ATOM 1097 NH1 ARG A 69 7.981 4.511 9.236 1.00 0.00 N ATOM 1098 NH2 ARG A 69 9.015 2.848 8.040 1.00 0.00 N ATOM 0 H ARG A 69 6.822 5.173 2.849 1.00 0.00 H new ATOM 0 HA ARG A 69 5.675 7.451 3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.851 5.555 4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.499 6.969 5.765 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.039 6.192 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.636 4.678 5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.599 5.926 7.685 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.366 4.685 7.583 1.00 0.00 H new ATOM 0 HE ARG A 69 7.411 3.482 6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.276 5.245 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.597 4.323 10.027 1.00 0.00 H new ATOM 0 HH21 ARG A 69 9.106 2.300 7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.630 2.662 8.833 1.00 0.00 H new ATOM 1112 N ALA A 70 8.881 7.878 3.195 1.00 0.00 N ATOM 1113 CA ALA A 70 9.900 8.891 2.952 1.00 0.00 C ATOM 1114 C ALA A 70 9.363 10.007 2.063 1.00 0.00 C ATOM 1115 O ALA A 70 9.628 11.186 2.302 1.00 0.00 O ATOM 1116 CB ALA A 70 11.133 8.259 2.322 1.00 0.00 C ATOM 0 H ALA A 70 9.200 6.918 3.061 1.00 0.00 H new ATOM 0 HA ALA A 70 10.179 9.328 3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.886 9.027 2.146 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.537 7.502 2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.860 7.795 1.374 1.00 0.00 H new ATOM 1122 N ARG A 71 8.608 9.629 1.037 1.00 0.00 N ATOM 1123 CA ARG A 71 8.036 10.598 0.111 1.00 0.00 C ATOM 1124 C ARG A 71 6.982 11.457 0.805 1.00 0.00 C ATOM 1125 O ARG A 71 7.050 12.685 0.773 1.00 0.00 O ATOM 1126 CB ARG A 71 7.415 9.883 -1.091 1.00 0.00 C ATOM 1127 CG ARG A 71 8.426 9.129 -1.939 1.00 0.00 C ATOM 1128 CD ARG A 71 7.765 8.473 -3.142 1.00 0.00 C ATOM 1129 NE ARG A 71 7.225 9.459 -4.074 1.00 0.00 N ATOM 1130 CZ ARG A 71 6.021 10.006 -3.949 1.00 0.00 C ATOM 1131 NH1 ARG A 71 5.236 9.666 -2.936 1.00 0.00 N ATOM 1132 NH2 ARG A 71 5.600 10.896 -4.839 1.00 0.00 N ATOM 0 H ARG A 71 8.378 8.658 0.826 1.00 0.00 H new ATOM 0 HA ARG A 71 8.839 11.248 -0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.658 9.184 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.904 10.616 -1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.202 9.815 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.916 8.368 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.492 7.846 -3.658 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.963 7.818 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 71 7.804 9.743 -4.864 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.556 8.983 -2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.312 10.088 -2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.201 11.160 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG A 71 4.675 11.316 -4.742 1.00 0.00 H new ATOM 1146 N GLU A 72 6.010 10.800 1.430 1.00 0.00 N ATOM 1147 CA GLU A 72 4.942 11.504 2.131 1.00 0.00 C ATOM 1148 C GLU A 72 5.514 12.507 3.128 1.00 0.00 C ATOM 1149 O GLU A 72 5.029 13.633 3.239 1.00 0.00 O ATOM 1150 CB GLU A 72 4.035 10.508 2.856 1.00 0.00 C ATOM 1151 CG GLU A 72 2.880 10.006 2.006 1.00 0.00 C ATOM 1152 CD GLU A 72 1.739 11.002 1.924 1.00 0.00 C ATOM 1153 OE1 GLU A 72 1.590 11.813 2.862 1.00 0.00 O ATOM 1154 OE2 GLU A 72 0.996 10.971 0.920 1.00 0.00 O ATOM 0 H GLU A 72 5.940 9.783 1.465 1.00 0.00 H new ATOM 0 HA GLU A 72 4.354 12.048 1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.632 9.656 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.636 10.980 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.241 9.790 1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.510 9.068 2.420 1.00 0.00 H new ATOM 1161 N ARG A 73 6.547 12.089 3.852 1.00 0.00 N ATOM 1162 CA ARG A 73 7.185 12.949 4.842 1.00 0.00 C ATOM 1163 C ARG A 73 8.014 14.036 4.164 1.00 0.00 C ATOM 1164 O ARG A 73 7.987 15.197 4.570 1.00 0.00 O ATOM 1165 CB ARG A 73 8.072 12.121 5.773 1.00 0.00 C ATOM 1166 CG ARG A 73 9.248 11.464 5.068 1.00 0.00 C ATOM 1167 CD ARG A 73 10.153 10.740 6.052 1.00 0.00 C ATOM 1168 NE ARG A 73 9.527 9.532 6.585 1.00 0.00 N ATOM 1169 CZ ARG A 73 10.212 8.501 7.066 1.00 0.00 C ATOM 1170 NH1 ARG A 73 11.537 8.530 7.082 1.00 0.00 N ATOM 1171 NH2 ARG A 73 9.570 7.437 7.533 1.00 0.00 N ATOM 0 H ARG A 73 6.960 11.160 3.772 1.00 0.00 H new ATOM 0 HA ARG A 73 6.402 13.427 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.449 12.764 6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.466 11.349 6.247 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.879 10.758 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.822 12.221 4.533 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.088 10.476 5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 73 10.405 11.410 6.874 1.00 0.00 H new ATOM 0 HE ARG A 73 8.508 9.478 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.034 9.346 6.724 1.00 0.00 H new ATOM 0 HH12 ARG A 73 12.060 7.736 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.550 7.411 7.522 1.00 0.00 H new ATOM 0 HH22 ARG A 73 10.096 6.645 7.902 1.00 0.00 H new ATOM 1185 N LYS A 74 8.752 13.650 3.128 1.00 0.00 N ATOM 1186 CA LYS A 74 9.590 14.589 2.392 1.00 0.00 C ATOM 1187 C LYS A 74 8.904 15.946 2.266 1.00 0.00 C ATOM 1188 O LYS A 74 9.516 16.986 2.506 1.00 0.00 O ATOM 1189 CB LYS A 74 9.911 14.037 1.002 1.00 0.00 C ATOM 1190 CG LYS A 74 10.909 14.881 0.228 1.00 0.00 C ATOM 1191 CD LYS A 74 11.641 14.059 -0.819 1.00 0.00 C ATOM 1192 CE LYS A 74 12.784 14.843 -1.445 1.00 0.00 C ATOM 1193 NZ LYS A 74 14.051 14.686 -0.677 1.00 0.00 N ATOM 0 H LYS A 74 8.786 12.692 2.779 1.00 0.00 H new ATOM 0 HA LYS A 74 10.519 14.721 2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 74 10.305 13.026 1.104 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.988 13.963 0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.389 15.708 -0.256 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.630 15.318 0.919 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.030 13.149 -0.362 1.00 0.00 H new ATOM 0 HD3 LYS A 74 10.941 13.751 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 74 12.937 14.506 -2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.517 15.899 -1.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.805 15.235 -1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.913 15.031 0.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.320 13.682 -0.653 1.00 0.00 H new ATOM 1207 N SER A 75 7.629 15.927 1.890 1.00 0.00 N ATOM 1208 CA SER A 75 6.861 17.156 1.730 1.00 0.00 C ATOM 1209 C SER A 75 6.071 17.472 2.997 1.00 0.00 C ATOM 1210 O SER A 75 5.659 16.570 3.725 1.00 0.00 O ATOM 1211 CB SER A 75 5.909 17.037 0.538 1.00 0.00 C ATOM 1212 OG SER A 75 6.585 17.288 -0.682 1.00 0.00 O ATOM 0 H SER A 75 7.106 15.074 1.691 1.00 0.00 H new ATOM 0 HA SER A 75 7.561 17.971 1.546 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.472 16.039 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.087 17.743 0.654 1.00 0.00 H new ATOM 0 HG SER A 75 5.955 17.204 -1.428 1.00 0.00 H new ATOM 1218 N GLY A 76 5.864 18.760 3.252 1.00 0.00 N ATOM 1219 CA GLY A 76 5.125 19.173 4.431 1.00 0.00 C ATOM 1220 C GLY A 76 5.578 20.521 4.957 1.00 0.00 C ATOM 1221 O GLY A 76 6.753 20.879 4.875 1.00 0.00 O ATOM 0 H GLY A 76 6.195 19.525 2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.062 19.218 4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 76 5.245 18.423 5.212 1.00 0.00 H new ATOM 1225 N PRO A 77 4.632 21.294 5.510 1.00 0.00 N ATOM 1226 CA PRO A 77 4.916 22.622 6.061 1.00 0.00 C ATOM 1227 C PRO A 77 5.746 22.554 7.339 1.00 0.00 C ATOM 1228 O PRO A 77 6.036 23.578 7.957 1.00 0.00 O ATOM 1229 CB PRO A 77 3.526 23.189 6.356 1.00 0.00 C ATOM 1230 CG PRO A 77 2.662 21.991 6.553 1.00 0.00 C ATOM 1231 CD PRO A 77 3.211 20.930 5.640 1.00 0.00 C ATOM 0 HA PRO A 77 5.502 23.231 5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.536 23.820 7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 77 3.167 23.805 5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.683 21.661 7.592 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.623 22.215 6.311 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.089 19.933 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 77 2.706 20.930 4.674 1.00 0.00 H new ATOM 1239 N SER A 78 6.124 21.341 7.729 1.00 0.00 N ATOM 1240 CA SER A 78 6.918 21.139 8.936 1.00 0.00 C ATOM 1241 C SER A 78 7.959 22.243 9.092 1.00 0.00 C ATOM 1242 O SER A 78 8.027 22.906 10.127 1.00 0.00 O ATOM 1243 CB SER A 78 7.607 19.774 8.896 1.00 0.00 C ATOM 1244 OG SER A 78 7.801 19.262 10.203 1.00 0.00 O ATOM 0 H SER A 78 5.894 20.483 7.227 1.00 0.00 H new ATOM 0 HA SER A 78 6.246 21.173 9.794 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.005 19.076 8.314 1.00 0.00 H new ATOM 0 HB3 SER A 78 8.569 19.863 8.391 1.00 0.00 H new ATOM 0 HG SER A 78 8.241 18.388 10.150 1.00 0.00 H new ATOM 1250 N SER A 79 8.770 22.433 8.056 1.00 0.00 N ATOM 1251 CA SER A 79 9.812 23.454 8.078 1.00 0.00 C ATOM 1252 C SER A 79 9.206 24.845 8.234 1.00 0.00 C ATOM 1253 O SER A 79 8.499 25.330 7.352 1.00 0.00 O ATOM 1254 CB SER A 79 10.645 23.390 6.797 1.00 0.00 C ATOM 1255 OG SER A 79 9.869 23.743 5.665 1.00 0.00 O ATOM 0 H SER A 79 8.726 21.894 7.191 1.00 0.00 H new ATOM 0 HA SER A 79 10.458 23.260 8.934 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.498 24.063 6.881 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.044 22.384 6.669 1.00 0.00 H new ATOM 0 HG SER A 79 9.221 24.434 5.915 1.00 0.00 H new ATOM 1261 N GLY A 80 9.489 25.484 9.366 1.00 0.00 N ATOM 1262 CA GLY A 80 8.964 26.813 9.619 1.00 0.00 C ATOM 1263 C GLY A 80 9.852 27.619 10.546 1.00 0.00 C ATOM 1264 O GLY A 80 11.055 27.374 10.634 1.00 0.00 O ATOM 0 H GLY A 80 10.072 25.105 10.112 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.855 27.343 8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.968 26.730 10.055 1.00 0.00 H new TER 1268 GLY A 80