USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 909 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 53 ASN :FLIP amide:sc= -0.346 F(o=-1.8,f=-0.35) USER MOD Set 1.2: A 93 ASN : amide:sc= 0 X(o=-0.35,f=-0.35) USER MOD Single : A 1 GLU N :NH3+ 157:sc= 0 (180deg=-0.00552) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 12 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 19 ASN :FLIP amide:sc= -3.73! C(o=-5.8!,f=-3.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 57:sc= -6.52! USER MOD Single : A 28 ASN : amide:sc= -0.0119 K(o=-0.012,f=-0.59) USER MOD Single : A 31 MET CE :methyl 169:sc= -0.77 (180deg=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 39:sc= -1.19 USER MOD Single : A 41 LYS NZ :NH3+ -106:sc= 0.141 (180deg=-1.2!) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= -1.46 (180deg=-1.66) USER MOD Single : A 46 HIS : no HD1:sc= -3.89 K(o=-3.9,f=-4.4!) USER MOD Single : A 48 GLN : amide:sc= -7.07! C(o=-7.1!,f=-11!) USER MOD Single : A 56 LYS NZ :NH3+ -121:sc= -0.0598 (180deg=-0.549) USER MOD Single : A 57 LYS NZ :NH3+ -129:sc= -0.0907 (180deg=-0.539) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -3.2 K(o=-3.2,f=-4.3!) USER MOD Single : A 62 GLN : amide:sc= -2.29 K(o=-2.3,f=-7.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.2 USER MOD Single : A 72 HIS : no HD1:sc= -7.48! C(o=-7.5!,f=-9.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -7.71 K(o=-7.7,f=-18!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -1.12 USER MOD Single : A 91 THR OG1 : rot 140:sc= -0.487 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 97:sc= -1.31! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -32.180 -4.847 -2.204 1.00 0.00 N ATOM 2 CA GLU A 1 -31.711 -4.253 -0.938 1.00 0.00 C ATOM 3 C GLU A 1 -30.423 -3.452 -1.140 1.00 0.00 C ATOM 4 O GLU A 1 -29.472 -3.936 -1.746 1.00 0.00 O ATOM 5 CB GLU A 1 -31.474 -5.380 0.029 1.00 0.00 C ATOM 6 CG GLU A 1 -32.738 -5.844 0.708 1.00 0.00 C ATOM 7 CD GLU A 1 -33.046 -5.033 1.939 1.00 0.00 C ATOM 8 OE1 GLU A 1 -32.118 -4.796 2.738 1.00 0.00 O ATOM 9 OE2 GLU A 1 -34.218 -4.632 2.117 1.00 0.00 O ATOM 0 H1 GLU A 1 -32.787 -5.666 -1.999 1.00 0.00 H new ATOM 0 H2 GLU A 1 -32.722 -4.139 -2.740 1.00 0.00 H new ATOM 0 H3 GLU A 1 -31.362 -5.155 -2.767 1.00 0.00 H new ATOM 0 HA GLU A 1 -32.461 -3.561 -0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -31.023 -6.219 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -30.758 -5.059 0.785 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -33.572 -5.774 0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -32.638 -6.895 0.981 1.00 0.00 H new ATOM 18 N ASP A 2 -30.404 -2.230 -0.624 1.00 0.00 N ATOM 19 CA ASP A 2 -29.237 -1.361 -0.748 1.00 0.00 C ATOM 20 C ASP A 2 -29.224 -0.309 0.300 1.00 0.00 C ATOM 21 O ASP A 2 -29.590 0.771 0.082 1.00 0.00 O ATOM 22 CB ASP A 2 -29.229 -0.686 -2.111 1.00 0.00 C ATOM 23 CG ASP A 2 -27.820 -0.482 -2.644 1.00 0.00 C ATOM 24 OD1 ASP A 2 -27.155 -1.492 -2.953 1.00 0.00 O ATOM 25 OD2 ASP A 2 -27.390 0.610 -2.750 1.00 0.00 O ATOM 0 H ASP A 2 -31.184 -1.816 -0.114 1.00 0.00 H new ATOM 0 HA ASP A 2 -28.353 -1.988 -0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -29.798 -1.291 -2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -29.732 0.279 -2.040 1.00 0.00 H new ATOM 30 N LYS A 3 -28.801 -0.709 1.466 1.00 0.00 N ATOM 31 CA LYS A 3 -28.740 0.145 2.608 1.00 0.00 C ATOM 32 C LYS A 3 -27.291 0.431 2.979 1.00 0.00 C ATOM 33 O LYS A 3 -26.465 -0.397 3.070 1.00 0.00 O ATOM 34 CB LYS A 3 -29.476 -0.391 3.804 1.00 0.00 C ATOM 35 CG LYS A 3 -30.974 -0.558 3.579 1.00 0.00 C ATOM 36 CD LYS A 3 -31.631 0.688 3.242 1.00 0.00 C ATOM 37 CE LYS A 3 -33.136 0.538 3.091 1.00 0.00 C ATOM 38 NZ LYS A 3 -33.537 0.413 1.665 1.00 0.00 N ATOM 0 H LYS A 3 -28.483 -1.661 1.648 1.00 0.00 H new ATOM 0 HA LYS A 3 -29.244 1.068 2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -29.049 -1.356 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -29.317 0.280 4.648 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -31.139 -1.279 2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -31.429 -0.972 4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -31.420 1.426 4.016 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -31.214 1.074 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -33.471 -0.341 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -33.634 1.400 3.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -34.570 0.313 1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -33.240 1.263 1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -33.082 -0.424 1.249 1.00 0.00 H new ATOM 52 N TYR A 4 -26.990 1.705 3.191 1.00 0.00 N ATOM 53 CA TYR A 4 -25.657 2.135 3.552 1.00 0.00 C ATOM 54 C TYR A 4 -24.705 2.007 2.378 1.00 0.00 C ATOM 55 O TYR A 4 -24.959 1.268 1.429 1.00 0.00 O ATOM 56 CB TYR A 4 -25.114 1.341 4.742 1.00 0.00 C ATOM 57 CG TYR A 4 -23.851 1.909 5.331 1.00 0.00 C ATOM 58 CD1 TYR A 4 -23.792 3.225 5.778 1.00 0.00 C ATOM 59 CD2 TYR A 4 -22.701 1.137 5.445 1.00 0.00 C ATOM 60 CE1 TYR A 4 -22.635 3.750 6.311 1.00 0.00 C ATOM 61 CE2 TYR A 4 -21.537 1.654 5.978 1.00 0.00 C ATOM 62 CZ TYR A 4 -21.510 2.958 6.413 1.00 0.00 C ATOM 63 OH TYR A 4 -20.352 3.475 6.947 1.00 0.00 O ATOM 0 H TYR A 4 -27.666 2.465 3.116 1.00 0.00 H new ATOM 0 HA TYR A 4 -25.728 3.184 3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -25.878 1.300 5.518 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -24.926 0.315 4.426 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -24.671 3.848 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -22.718 0.111 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -22.609 4.776 6.647 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -20.653 1.038 6.053 1.00 0.00 H new ATOM 0 HH TYR A 4 -19.656 2.786 6.947 1.00 0.00 H new ATOM 73 N THR A 5 -23.611 2.734 2.460 1.00 0.00 N ATOM 74 CA THR A 5 -22.596 2.728 1.417 1.00 0.00 C ATOM 75 C THR A 5 -21.706 1.495 1.533 1.00 0.00 C ATOM 76 O THR A 5 -21.927 0.635 2.390 1.00 0.00 O ATOM 77 CB THR A 5 -21.744 3.994 1.495 1.00 0.00 C ATOM 78 OG1 THR A 5 -20.819 4.040 0.441 1.00 0.00 O ATOM 79 CG2 THR A 5 -20.950 4.106 2.781 1.00 0.00 C ATOM 0 H THR A 5 -23.396 3.346 3.248 1.00 0.00 H new ATOM 0 HA THR A 5 -23.103 2.700 0.453 1.00 0.00 H new ATOM 0 HB THR A 5 -22.457 4.817 1.442 1.00 0.00 H new ATOM 0 HG1 THR A 5 -20.286 4.859 0.509 1.00 0.00 H new ATOM 0 HG21 THR A 5 -20.368 5.027 2.770 1.00 0.00 H new ATOM 0 HG22 THR A 5 -21.633 4.118 3.630 1.00 0.00 H new ATOM 0 HG23 THR A 5 -20.277 3.253 2.869 1.00 0.00 H new ATOM 87 N ASP A 6 -20.702 1.413 0.679 1.00 0.00 N ATOM 88 CA ASP A 6 -19.779 0.291 0.677 1.00 0.00 C ATOM 89 C ASP A 6 -18.407 0.710 0.191 1.00 0.00 C ATOM 90 O ASP A 6 -18.030 0.408 -0.888 1.00 0.00 O ATOM 91 CB ASP A 6 -20.331 -0.782 -0.125 1.00 0.00 C ATOM 92 CG ASP A 6 -20.800 -0.298 -1.465 1.00 0.00 C ATOM 93 OD1 ASP A 6 -19.962 -0.193 -2.379 1.00 0.00 O ATOM 94 OD2 ASP A 6 -22.015 -0.039 -1.613 1.00 0.00 O ATOM 0 H ASP A 6 -20.503 2.119 -0.030 1.00 0.00 H new ATOM 0 HA ASP A 6 -19.650 -0.069 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -19.577 -1.556 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -21.165 -1.240 0.407 1.00 0.00 H new ATOM 99 N LYS A 7 -17.655 1.401 1.012 1.00 0.00 N ATOM 100 CA LYS A 7 -16.322 1.867 0.652 1.00 0.00 C ATOM 101 C LYS A 7 -15.394 0.680 0.385 1.00 0.00 C ATOM 102 O LYS A 7 -15.621 -0.015 -0.489 1.00 0.00 O ATOM 103 CB LYS A 7 -15.758 2.758 1.755 1.00 0.00 C ATOM 104 CG LYS A 7 -16.564 4.030 1.977 1.00 0.00 C ATOM 105 CD LYS A 7 -15.668 5.191 2.385 1.00 0.00 C ATOM 106 CE LYS A 7 -15.664 5.384 3.893 1.00 0.00 C ATOM 107 NZ LYS A 7 -15.504 6.817 4.265 1.00 0.00 N ATOM 0 H LYS A 7 -17.944 1.661 1.955 1.00 0.00 H new ATOM 0 HA LYS A 7 -16.393 2.455 -0.263 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -15.722 2.192 2.686 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.731 3.026 1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -17.101 4.286 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -17.313 3.858 2.750 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -14.651 5.008 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -16.011 6.105 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -16.595 5.001 4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -14.854 4.801 4.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.506 6.909 5.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.604 7.175 3.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.291 7.369 3.867 1.00 0.00 H new ATOM 121 N TYR A 8 -14.347 0.532 1.177 1.00 0.00 N ATOM 122 CA TYR A 8 -13.392 -0.482 1.002 1.00 0.00 C ATOM 123 C TYR A 8 -14.108 -1.832 1.011 1.00 0.00 C ATOM 124 O TYR A 8 -14.358 -2.410 2.072 1.00 0.00 O ATOM 125 CB TYR A 8 -12.332 -0.434 2.102 1.00 0.00 C ATOM 126 CG TYR A 8 -12.885 -0.164 3.486 1.00 0.00 C ATOM 127 CD1 TYR A 8 -13.310 -1.204 4.303 1.00 0.00 C ATOM 128 CD2 TYR A 8 -12.974 1.047 3.979 1.00 0.00 C ATOM 129 CE1 TYR A 8 -13.814 -0.966 5.564 1.00 0.00 C ATOM 130 CE2 TYR A 8 -13.473 1.301 5.241 1.00 0.00 C ATOM 131 CZ TYR A 8 -13.895 0.256 6.028 1.00 0.00 C ATOM 132 OH TYR A 8 -14.393 0.496 7.288 1.00 0.00 O ATOM 0 H TYR A 8 -14.157 1.142 1.972 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.882 -0.337 0.050 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.796 -1.383 2.116 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.604 0.340 1.856 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.244 -2.220 3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -12.644 1.879 3.374 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.145 -1.794 6.174 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.531 2.315 5.608 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.379 1.459 7.467 1.00 0.00 H new ATOM 142 N ASP A 9 -14.430 -2.326 -0.116 1.00 0.00 N ATOM 143 CA ASP A 9 -15.110 -3.608 -0.239 1.00 0.00 C ATOM 144 C ASP A 9 -14.114 -4.759 -0.257 1.00 0.00 C ATOM 145 O ASP A 9 -14.079 -5.560 -1.182 1.00 0.00 O ATOM 146 CB ASP A 9 -15.959 -3.632 -1.500 1.00 0.00 C ATOM 147 CG ASP A 9 -17.250 -4.407 -1.333 1.00 0.00 C ATOM 148 OD1 ASP A 9 -18.208 -3.844 -0.781 1.00 0.00 O ATOM 149 OD2 ASP A 9 -17.298 -5.578 -1.763 1.00 0.00 O ATOM 0 H ASP A 9 -14.239 -1.869 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.756 -3.732 0.630 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.192 -2.608 -1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.380 -4.072 -2.312 1.00 0.00 H new ATOM 154 N ASN A 10 -13.295 -4.839 0.717 1.00 0.00 N ATOM 155 CA ASN A 10 -12.285 -5.886 0.831 1.00 0.00 C ATOM 156 C ASN A 10 -11.775 -5.998 2.257 1.00 0.00 C ATOM 157 O ASN A 10 -12.037 -6.982 2.950 1.00 0.00 O ATOM 158 CB ASN A 10 -11.128 -5.608 -0.063 1.00 0.00 C ATOM 159 CG ASN A 10 -10.085 -6.717 -0.054 1.00 0.00 C ATOM 160 OD1 ASN A 10 -10.414 -7.877 0.144 1.00 0.00 O ATOM 161 ND2 ASN A 10 -8.840 -6.351 -0.306 1.00 0.00 N ATOM 0 H ASN A 10 -13.285 -4.175 1.491 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.760 -6.822 0.538 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.490 -5.466 -1.081 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.658 -4.673 0.242 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.100 -7.052 -0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.620 -5.368 -0.464 1.00 0.00 H new ATOM 168 N ILE A 11 -11.038 -4.981 2.695 1.00 0.00 N ATOM 169 CA ILE A 11 -10.490 -4.957 4.041 1.00 0.00 C ATOM 170 C ILE A 11 -10.659 -3.578 4.661 1.00 0.00 C ATOM 171 O ILE A 11 -10.942 -2.604 3.963 1.00 0.00 O ATOM 172 CB ILE A 11 -8.992 -5.373 4.035 1.00 0.00 C ATOM 173 CG1 ILE A 11 -8.781 -6.624 4.896 1.00 0.00 C ATOM 174 CG2 ILE A 11 -8.088 -4.238 4.505 1.00 0.00 C ATOM 175 CD1 ILE A 11 -8.968 -6.378 6.375 1.00 0.00 C ATOM 0 H ILE A 11 -10.808 -4.162 2.133 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.040 -5.678 4.646 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.717 -5.604 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.477 -7.398 4.574 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.775 -7.008 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.049 -4.569 4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.208 -3.380 3.844 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.360 -3.953 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.803 -7.306 6.922 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.254 -5.627 6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.982 -6.023 6.559 1.00 0.00 H new ATOM 187 N ASN A 12 -10.491 -3.490 5.978 1.00 0.00 N ATOM 188 CA ASN A 12 -10.633 -2.223 6.681 1.00 0.00 C ATOM 189 C ASN A 12 -9.479 -1.285 6.343 1.00 0.00 C ATOM 190 O ASN A 12 -8.634 -0.988 7.191 1.00 0.00 O ATOM 191 CB ASN A 12 -10.686 -2.466 8.195 1.00 0.00 C ATOM 192 CG ASN A 12 -12.073 -2.869 8.666 1.00 0.00 C ATOM 193 OD1 ASN A 12 -12.822 -3.525 7.940 1.00 0.00 O ATOM 194 ND2 ASN A 12 -12.412 -2.486 9.892 1.00 0.00 N ATOM 0 H ASN A 12 -10.257 -4.281 6.577 1.00 0.00 H new ATOM 0 HA ASN A 12 -11.563 -1.754 6.361 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.973 -3.247 8.461 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.376 -1.561 8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -13.327 -2.734 10.269 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -11.758 -1.944 10.456 1.00 0.00 H new ATOM 201 N LEU A 13 -9.451 -0.822 5.101 1.00 0.00 N ATOM 202 CA LEU A 13 -8.402 0.023 4.645 1.00 0.00 C ATOM 203 C LEU A 13 -8.707 1.443 5.022 1.00 0.00 C ATOM 204 O LEU A 13 -8.608 2.360 4.203 1.00 0.00 O ATOM 205 CB LEU A 13 -8.231 -0.045 3.122 1.00 0.00 C ATOM 206 CG LEU A 13 -6.853 -0.517 2.669 1.00 0.00 C ATOM 207 CD1 LEU A 13 -6.907 -1.961 2.203 1.00 0.00 C ATOM 208 CD2 LEU A 13 -6.307 0.301 1.566 1.00 0.00 C ATOM 0 H LEU A 13 -10.160 -1.031 4.398 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.479 -0.319 5.113 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.986 -0.716 2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.421 0.943 2.702 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.200 -0.416 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.914 -2.278 1.884 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.245 -2.595 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.601 -2.048 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.325 -0.079 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.977 0.249 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.215 1.337 1.892 1.00 0.00 H new ATOM 220 N ASP A 14 -9.050 1.635 6.285 1.00 0.00 N ATOM 221 CA ASP A 14 -9.347 2.948 6.817 1.00 0.00 C ATOM 222 C ASP A 14 -8.572 3.129 8.108 1.00 0.00 C ATOM 223 O ASP A 14 -7.846 4.110 8.287 1.00 0.00 O ATOM 224 CB ASP A 14 -10.850 3.109 7.064 1.00 0.00 C ATOM 225 CG ASP A 14 -11.202 4.495 7.567 1.00 0.00 C ATOM 226 OD1 ASP A 14 -11.323 5.413 6.737 1.00 0.00 O ATOM 227 OD2 ASP A 14 -11.362 4.652 8.802 1.00 0.00 O ATOM 0 H ASP A 14 -9.130 0.882 6.968 1.00 0.00 H new ATOM 0 HA ASP A 14 -9.051 3.710 6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.392 2.912 6.139 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -11.179 2.366 7.791 1.00 0.00 H new ATOM 232 N GLU A 15 -8.715 2.155 9.000 1.00 0.00 N ATOM 233 CA GLU A 15 -8.015 2.175 10.263 1.00 0.00 C ATOM 234 C GLU A 15 -6.509 2.104 10.046 1.00 0.00 C ATOM 235 O GLU A 15 -5.731 2.556 10.885 1.00 0.00 O ATOM 236 CB GLU A 15 -8.471 1.005 11.145 1.00 0.00 C ATOM 237 CG GLU A 15 -8.176 -0.281 10.547 1.00 0.00 C ATOM 238 CD GLU A 15 -8.106 -1.370 11.593 1.00 0.00 C ATOM 239 OE1 GLU A 15 -7.537 -1.117 12.674 1.00 0.00 O ATOM 240 OE2 GLU A 15 -8.616 -2.477 11.327 1.00 0.00 O ATOM 0 H GLU A 15 -9.314 1.341 8.863 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.251 3.112 10.767 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.981 1.073 12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.544 1.083 11.323 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.943 -0.528 9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.228 -0.227 10.012 1.00 0.00 H new ATOM 247 N ILE A 16 -6.097 1.537 8.907 1.00 0.00 N ATOM 248 CA ILE A 16 -4.677 1.433 8.606 1.00 0.00 C ATOM 249 C ILE A 16 -4.109 2.763 8.128 1.00 0.00 C ATOM 250 O ILE A 16 -2.895 2.942 8.075 1.00 0.00 O ATOM 251 CB ILE A 16 -4.391 0.357 7.543 1.00 0.00 C ATOM 252 CG1 ILE A 16 -5.095 -0.870 7.909 1.00 0.00 C ATOM 253 CG2 ILE A 16 -2.882 0.137 7.417 1.00 0.00 C ATOM 254 CD1 ILE A 16 -5.201 -1.842 6.757 1.00 0.00 C ATOM 0 H ILE A 16 -6.717 1.152 8.195 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.190 1.146 9.538 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.753 0.680 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.575 -1.350 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.095 -0.620 8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.687 -0.626 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.402 1.070 7.122 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.481 -0.190 8.376 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.733 -2.736 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.745 -1.375 5.936 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.202 -2.117 6.420 1.00 0.00 H new ATOM 266 N LEU A 17 -4.992 3.700 7.773 1.00 0.00 N ATOM 267 CA LEU A 17 -4.565 5.011 7.306 1.00 0.00 C ATOM 268 C LEU A 17 -4.972 6.097 8.308 1.00 0.00 C ATOM 269 O LEU A 17 -4.887 7.286 8.023 1.00 0.00 O ATOM 270 CB LEU A 17 -5.168 5.285 5.916 1.00 0.00 C ATOM 271 CG LEU A 17 -5.089 6.735 5.438 1.00 0.00 C ATOM 272 CD1 LEU A 17 -3.678 7.279 5.588 1.00 0.00 C ATOM 273 CD2 LEU A 17 -5.547 6.832 3.987 1.00 0.00 C ATOM 0 H LEU A 17 -6.003 3.571 7.802 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.478 5.027 7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.660 4.653 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.215 4.981 5.927 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.751 7.340 6.058 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -3.648 8.312 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.382 7.239 6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.991 6.677 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.487 7.869 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.905 6.213 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.577 6.484 3.906 1.00 0.00 H new ATOM 285 N ALA A 18 -5.416 5.667 9.488 1.00 0.00 N ATOM 286 CA ALA A 18 -5.843 6.597 10.524 1.00 0.00 C ATOM 287 C ALA A 18 -4.684 7.450 11.023 1.00 0.00 C ATOM 288 O ALA A 18 -4.860 8.622 11.339 1.00 0.00 O ATOM 289 CB ALA A 18 -6.476 5.833 11.682 1.00 0.00 C ATOM 0 H ALA A 18 -5.488 4.683 9.747 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.583 7.268 10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.792 6.536 12.452 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.341 5.277 11.321 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.748 5.139 12.101 1.00 0.00 H new ATOM 295 N ASN A 19 -3.493 6.852 11.099 1.00 0.00 N ATOM 296 CA ASN A 19 -2.319 7.584 11.572 1.00 0.00 C ATOM 297 C ASN A 19 -1.019 6.862 11.228 1.00 0.00 C ATOM 298 O ASN A 19 -0.992 5.636 11.044 1.00 0.00 O ATOM 299 CB ASN A 19 -2.406 7.804 13.086 1.00 0.00 C ATOM 300 CG ASN A 19 -3.227 6.741 13.792 1.00 0.00 C ATOM 301 OD1 ASN A 19 -3.067 5.493 13.363 1.00 0.00 O flip ATOM 302 ND2 ASN A 19 -3.992 7.034 14.708 1.00 0.00 N flip ATOM 0 H ASN A 19 -3.318 5.880 10.844 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.310 8.547 11.062 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.400 7.816 13.505 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.844 8.783 13.281 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -4.084 8.006 15.005 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.535 6.306 15.171 1.00 0.00 H new ATOM 309 N LYS A 20 0.024 7.634 11.155 1.00 0.00 N ATOM 310 CA LYS A 20 1.298 7.090 10.840 1.00 0.00 C ATOM 311 C LYS A 20 1.689 5.984 11.804 1.00 0.00 C ATOM 312 O LYS A 20 2.506 5.133 11.479 1.00 0.00 O ATOM 313 CB LYS A 20 2.351 8.209 10.832 1.00 0.00 C ATOM 314 CG LYS A 20 2.899 8.570 12.210 1.00 0.00 C ATOM 315 CD LYS A 20 1.825 9.173 13.099 1.00 0.00 C ATOM 316 CE LYS A 20 2.257 9.190 14.554 1.00 0.00 C ATOM 317 NZ LYS A 20 1.608 10.290 15.319 1.00 0.00 N ATOM 0 H LYS A 20 0.011 8.642 11.310 1.00 0.00 H new ATOM 0 HA LYS A 20 1.244 6.644 9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.180 7.906 10.193 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.912 9.101 10.384 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.307 7.678 12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.721 9.277 12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.607 10.189 12.771 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.903 8.600 12.998 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.011 8.234 15.016 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.340 9.301 14.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.932 10.264 16.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.863 11.205 14.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.575 10.171 15.290 1.00 0.00 H new ATOM 331 N ARG A 21 1.098 5.984 12.994 1.00 0.00 N ATOM 332 CA ARG A 21 1.406 4.956 13.976 1.00 0.00 C ATOM 333 C ARG A 21 1.095 3.569 13.408 1.00 0.00 C ATOM 334 O ARG A 21 1.823 2.601 13.657 1.00 0.00 O ATOM 335 CB ARG A 21 0.618 5.178 15.268 1.00 0.00 C ATOM 336 CG ARG A 21 -0.801 5.316 15.056 1.00 0.00 C ATOM 337 CD ARG A 21 -1.573 4.978 16.315 1.00 0.00 C ATOM 338 NE ARG A 21 -1.746 6.147 17.180 1.00 0.00 N ATOM 339 CZ ARG A 21 -2.081 6.074 18.470 1.00 0.00 C ATOM 340 NH1 ARG A 21 -2.282 4.898 19.041 1.00 0.00 N ATOM 341 NH2 ARG A 21 -2.220 7.186 19.178 1.00 0.00 N ATOM 0 H ARG A 21 0.412 6.675 13.297 1.00 0.00 H new ATOM 0 HA ARG A 21 2.470 5.018 14.206 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.797 4.341 15.943 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.993 6.073 15.764 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.029 6.337 14.748 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.117 4.660 14.244 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.550 4.578 16.045 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.049 4.195 16.863 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.602 7.071 16.773 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.181 4.042 18.495 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.538 4.847 20.027 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.071 8.093 18.737 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.476 7.134 20.164 1.00 0.00 H new ATOM 355 N LEU A 22 0.064 3.483 12.622 1.00 0.00 N ATOM 356 CA LEU A 22 -0.287 2.226 12.009 1.00 0.00 C ATOM 357 C LEU A 22 0.235 2.093 10.620 1.00 0.00 C ATOM 358 O LEU A 22 0.783 1.053 10.265 1.00 0.00 O ATOM 359 CB LEU A 22 -1.808 2.111 11.937 1.00 0.00 C ATOM 360 CG LEU A 22 -2.498 1.813 13.260 1.00 0.00 C ATOM 361 CD1 LEU A 22 -4.008 1.717 13.069 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.959 0.526 13.859 1.00 0.00 C ATOM 0 H LEU A 22 -0.551 4.262 12.387 1.00 0.00 H new ATOM 0 HA LEU A 22 0.158 1.443 12.623 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.208 3.043 11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.064 1.325 11.227 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.290 2.632 13.948 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.483 1.503 14.027 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.386 2.662 12.679 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.236 0.917 12.365 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.462 0.326 14.805 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.140 -0.299 13.170 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.887 0.626 14.032 1.00 0.00 H new ATOM 374 N LEU A 23 0.163 3.161 9.839 1.00 0.00 N ATOM 375 CA LEU A 23 0.717 3.159 8.492 1.00 0.00 C ATOM 376 C LEU A 23 2.202 2.830 8.547 1.00 0.00 C ATOM 377 O LEU A 23 2.714 2.069 7.726 1.00 0.00 O ATOM 378 CB LEU A 23 0.513 4.517 7.820 1.00 0.00 C ATOM 379 CG LEU A 23 -0.857 4.883 7.517 1.00 0.00 C ATOM 380 CD1 LEU A 23 -1.031 6.393 7.490 1.00 0.00 C ATOM 381 CD2 LEU A 23 -1.295 4.260 6.199 1.00 0.00 C ATOM 0 H LEU A 23 -0.274 4.041 10.115 1.00 0.00 H new ATOM 0 HA LEU A 23 0.197 2.401 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.938 5.286 8.465 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.084 4.529 6.892 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.495 4.493 8.310 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.069 6.636 7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.769 6.807 8.464 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.381 6.821 6.727 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.326 4.545 5.987 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.648 4.614 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.226 3.174 6.269 1.00 0.00 H new ATOM 393 N VAL A 24 2.873 3.407 9.530 1.00 0.00 N ATOM 394 CA VAL A 24 4.293 3.191 9.715 1.00 0.00 C ATOM 395 C VAL A 24 4.552 1.782 10.246 1.00 0.00 C ATOM 396 O VAL A 24 5.479 1.112 9.804 1.00 0.00 O ATOM 397 CB VAL A 24 4.909 4.243 10.667 1.00 0.00 C ATOM 398 CG1 VAL A 24 6.307 3.829 11.114 1.00 0.00 C ATOM 399 CG2 VAL A 24 4.944 5.603 9.990 1.00 0.00 C ATOM 0 H VAL A 24 2.450 4.033 10.216 1.00 0.00 H new ATOM 0 HA VAL A 24 4.774 3.299 8.743 1.00 0.00 H new ATOM 0 HB VAL A 24 4.282 4.309 11.556 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.715 4.587 11.782 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.254 2.875 11.638 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.953 3.729 10.242 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.379 6.336 10.669 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.548 5.543 9.085 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.930 5.906 9.730 1.00 0.00 H new ATOM 409 N ALA A 25 3.710 1.341 11.183 1.00 0.00 N ATOM 410 CA ALA A 25 3.855 0.021 11.740 1.00 0.00 C ATOM 411 C ALA A 25 3.879 -0.941 10.628 1.00 0.00 C ATOM 412 O ALA A 25 4.751 -1.814 10.575 1.00 0.00 O ATOM 413 CB ALA A 25 2.736 -0.226 12.729 1.00 0.00 C ATOM 0 H ALA A 25 2.932 1.882 11.560 1.00 0.00 H new ATOM 0 HA ALA A 25 4.787 -0.091 12.294 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.840 -1.224 13.154 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.785 0.515 13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.776 -0.147 12.219 1.00 0.00 H new ATOM 419 N TYR A 26 2.927 -0.826 9.701 1.00 0.00 N ATOM 420 CA TYR A 26 2.865 -1.726 8.567 1.00 0.00 C ATOM 421 C TYR A 26 4.095 -1.511 7.694 1.00 0.00 C ATOM 422 O TYR A 26 4.729 -2.473 7.256 1.00 0.00 O ATOM 423 CB TYR A 26 1.593 -1.501 7.758 1.00 0.00 C ATOM 424 CG TYR A 26 1.208 -2.690 6.909 1.00 0.00 C ATOM 425 CD1 TYR A 26 1.684 -2.833 5.614 1.00 0.00 C ATOM 426 CD2 TYR A 26 0.375 -3.687 7.409 1.00 0.00 C ATOM 427 CE1 TYR A 26 1.345 -3.924 4.837 1.00 0.00 C ATOM 428 CE2 TYR A 26 0.056 -4.786 6.644 1.00 0.00 C ATOM 429 CZ TYR A 26 0.519 -4.894 5.354 1.00 0.00 C ATOM 430 OH TYR A 26 0.180 -5.988 4.587 1.00 0.00 O ATOM 0 H TYR A 26 2.193 -0.118 9.720 1.00 0.00 H new ATOM 0 HA TYR A 26 2.847 -2.754 8.930 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.774 -1.269 8.439 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.729 -0.632 7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 26 2.334 -2.074 5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.025 -3.597 8.408 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.726 -4.014 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.562 -5.568 7.060 1.00 0.00 H new ATOM 0 HH TYR A 26 0.995 -6.449 4.296 1.00 0.00 H new ATOM 440 N VAL A 27 4.431 -0.257 7.465 1.00 0.00 N ATOM 441 CA VAL A 27 5.608 0.013 6.661 1.00 0.00 C ATOM 442 C VAL A 27 6.837 -0.575 7.260 1.00 0.00 C ATOM 443 O VAL A 27 7.681 -1.106 6.537 1.00 0.00 O ATOM 444 CB VAL A 27 5.823 1.529 6.580 1.00 0.00 C ATOM 445 CG1 VAL A 27 7.133 1.846 5.876 1.00 0.00 C ATOM 446 CG2 VAL A 27 4.658 2.199 5.875 1.00 0.00 C ATOM 0 H VAL A 27 3.930 0.562 7.808 1.00 0.00 H new ATOM 0 HA VAL A 27 5.440 -0.430 5.679 1.00 0.00 H new ATOM 0 HB VAL A 27 5.877 1.922 7.595 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.268 2.927 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.960 1.401 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.111 1.438 4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.831 3.274 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.567 1.802 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.738 2.003 6.426 1.00 0.00 H new ATOM 456 N ASN A 28 6.935 -0.561 8.586 1.00 0.00 N ATOM 457 CA ASN A 28 8.058 -1.176 9.277 1.00 0.00 C ATOM 458 C ASN A 28 7.955 -2.687 9.131 1.00 0.00 C ATOM 459 O ASN A 28 8.969 -3.382 9.046 1.00 0.00 O ATOM 460 CB ASN A 28 8.087 -0.783 10.747 1.00 0.00 C ATOM 461 CG ASN A 28 8.911 0.382 10.992 1.00 0.00 C ATOM 462 OD1 ASN A 28 8.990 1.267 10.146 1.00 0.00 O ATOM 463 ND2 ASN A 28 9.547 0.450 12.160 1.00 0.00 N ATOM 0 H ASN A 28 6.247 -0.129 9.203 1.00 0.00 H new ATOM 0 HA ASN A 28 8.987 -0.823 8.830 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.071 -0.583 11.087 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.462 -1.620 11.336 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.127 1.260 12.379 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.454 -0.308 12.836 1.00 0.00 H new ATOM 470 N CYS A 29 6.729 -3.188 9.096 1.00 0.00 N ATOM 471 CA CYS A 29 6.491 -4.606 8.942 1.00 0.00 C ATOM 472 C CYS A 29 6.960 -5.058 7.566 1.00 0.00 C ATOM 473 O CYS A 29 7.413 -6.190 7.394 1.00 0.00 O ATOM 474 CB CYS A 29 5.008 -4.904 9.125 1.00 0.00 C ATOM 475 SG CYS A 29 4.436 -4.860 10.859 1.00 0.00 S ATOM 0 H CYS A 29 5.882 -2.625 9.173 1.00 0.00 H new ATOM 0 HA CYS A 29 7.052 -5.153 9.700 1.00 0.00 H new ATOM 0 HB2 CYS A 29 4.431 -4.182 8.547 1.00 0.00 H new ATOM 0 HB3 CYS A 29 4.794 -5.889 8.710 1.00 0.00 H new ATOM 480 N VAL A 30 6.875 -4.154 6.586 1.00 0.00 N ATOM 481 CA VAL A 30 7.320 -4.458 5.235 1.00 0.00 C ATOM 482 C VAL A 30 8.772 -4.913 5.246 1.00 0.00 C ATOM 483 O VAL A 30 9.210 -5.664 4.367 1.00 0.00 O ATOM 484 CB VAL A 30 7.168 -3.239 4.297 1.00 0.00 C ATOM 485 CG1 VAL A 30 7.617 -3.584 2.884 1.00 0.00 C ATOM 486 CG2 VAL A 30 5.740 -2.733 4.300 1.00 0.00 C ATOM 0 H VAL A 30 6.503 -3.212 6.708 1.00 0.00 H new ATOM 0 HA VAL A 30 6.688 -5.261 4.857 1.00 0.00 H new ATOM 0 HB VAL A 30 7.811 -2.442 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.501 -2.711 2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.664 -3.887 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.008 -4.402 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.657 -1.875 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.073 -3.524 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.462 -2.435 5.311 1.00 0.00 H new ATOM 496 N MET A 31 9.523 -4.472 6.259 1.00 0.00 N ATOM 497 CA MET A 31 10.916 -4.831 6.401 1.00 0.00 C ATOM 498 C MET A 31 11.057 -6.277 6.905 1.00 0.00 C ATOM 499 O MET A 31 12.172 -6.794 7.003 1.00 0.00 O ATOM 500 CB MET A 31 11.599 -3.860 7.362 1.00 0.00 C ATOM 501 CG MET A 31 13.015 -4.261 7.712 1.00 0.00 C ATOM 502 SD MET A 31 14.135 -2.849 7.818 1.00 0.00 S ATOM 503 CE MET A 31 14.651 -2.956 9.529 1.00 0.00 C ATOM 0 H MET A 31 9.174 -3.859 6.996 1.00 0.00 H new ATOM 0 HA MET A 31 11.398 -4.767 5.426 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.610 -2.866 6.916 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.011 -3.792 8.277 1.00 0.00 H new ATOM 0 HG2 MET A 31 13.013 -4.790 8.665 1.00 0.00 H new ATOM 0 HG3 MET A 31 13.387 -4.958 6.961 1.00 0.00 H new ATOM 0 HE1 MET A 31 15.487 -2.278 9.700 1.00 0.00 H new ATOM 0 HE2 MET A 31 13.820 -2.678 10.178 1.00 0.00 H new ATOM 0 HE3 MET A 31 14.960 -3.977 9.753 1.00 0.00 H new ATOM 513 N GLU A 32 9.932 -6.913 7.225 1.00 0.00 N ATOM 514 CA GLU A 32 9.911 -8.289 7.714 1.00 0.00 C ATOM 515 C GLU A 32 10.905 -8.493 8.853 1.00 0.00 C ATOM 516 O GLU A 32 11.716 -9.417 8.828 1.00 0.00 O ATOM 517 CB GLU A 32 10.185 -9.280 6.575 1.00 0.00 C ATOM 518 CG GLU A 32 11.608 -9.257 6.046 1.00 0.00 C ATOM 519 CD GLU A 32 11.763 -8.371 4.826 1.00 0.00 C ATOM 520 OE1 GLU A 32 10.804 -8.266 4.036 1.00 0.00 O ATOM 521 OE2 GLU A 32 12.855 -7.768 4.665 1.00 0.00 O ATOM 0 H GLU A 32 9.008 -6.488 7.152 1.00 0.00 H new ATOM 0 HA GLU A 32 8.912 -8.481 8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.958 -10.287 6.925 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.502 -9.066 5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.278 -8.907 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.914 -10.272 5.794 1.00 0.00 H new ATOM 528 N ARG A 33 10.834 -7.622 9.851 1.00 0.00 N ATOM 529 CA ARG A 33 11.718 -7.703 11.008 1.00 0.00 C ATOM 530 C ARG A 33 11.352 -8.892 11.889 1.00 0.00 C ATOM 531 O ARG A 33 12.213 -9.490 12.543 1.00 0.00 O ATOM 532 CB ARG A 33 11.646 -6.417 11.827 1.00 0.00 C ATOM 533 CG ARG A 33 12.394 -5.254 11.201 1.00 0.00 C ATOM 534 CD ARG A 33 13.220 -4.501 12.226 1.00 0.00 C ATOM 535 NE ARG A 33 12.526 -3.320 12.728 1.00 0.00 N ATOM 536 CZ ARG A 33 13.090 -2.394 13.500 1.00 0.00 C ATOM 537 NH1 ARG A 33 14.358 -2.513 13.869 1.00 0.00 N ATOM 538 NH2 ARG A 33 12.387 -1.346 13.910 1.00 0.00 N ATOM 0 H ARG A 33 10.171 -6.848 9.883 1.00 0.00 H new ATOM 0 HA ARG A 33 12.736 -7.838 10.642 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.601 -6.137 11.957 1.00 0.00 H new ATOM 0 HB3 ARG A 33 12.052 -6.606 12.821 1.00 0.00 H new ATOM 0 HG2 ARG A 33 13.046 -5.624 10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.682 -4.572 10.735 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.456 -5.164 13.059 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.168 -4.201 11.778 1.00 0.00 H new ATOM 0 HE ARG A 33 11.547 -3.196 12.471 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.905 -3.317 13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.786 -1.801 14.461 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.410 -1.247 13.634 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.823 -0.639 14.502 1.00 0.00 H new ATOM 552 N GLY A 34 10.069 -9.243 11.905 1.00 0.00 N ATOM 553 CA GLY A 34 9.609 -10.361 12.715 1.00 0.00 C ATOM 554 C GLY A 34 8.149 -10.246 13.093 1.00 0.00 C ATOM 555 O GLY A 34 7.712 -9.210 13.603 1.00 0.00 O ATOM 0 H GLY A 34 9.338 -8.773 11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.766 -11.290 12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 34 10.211 -10.420 13.622 1.00 0.00 H new ATOM 559 N LYS A 35 7.382 -11.309 12.839 1.00 0.00 N ATOM 560 CA LYS A 35 5.959 -11.322 13.155 1.00 0.00 C ATOM 561 C LYS A 35 5.256 -10.101 12.561 1.00 0.00 C ATOM 562 O LYS A 35 4.226 -9.652 13.067 1.00 0.00 O ATOM 563 CB LYS A 35 5.747 -11.350 14.677 1.00 0.00 C ATOM 564 CG LYS A 35 5.686 -12.756 15.248 1.00 0.00 C ATOM 565 CD LYS A 35 4.752 -12.826 16.444 1.00 0.00 C ATOM 566 CE LYS A 35 3.298 -12.648 16.037 1.00 0.00 C ATOM 567 NZ LYS A 35 2.522 -11.881 17.048 1.00 0.00 N ATOM 0 H LYS A 35 7.726 -12.170 12.415 1.00 0.00 H new ATOM 0 HA LYS A 35 5.528 -12.222 12.716 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.557 -10.804 15.160 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.822 -10.827 14.918 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.347 -13.449 14.478 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.685 -13.074 15.545 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.874 -13.786 16.945 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.025 -12.054 17.164 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.251 -12.132 15.078 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.840 -13.627 15.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.537 -11.784 16.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.543 -12.385 17.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.942 -10.937 17.165 1.00 0.00 H new ATOM 581 N CYS A 36 5.823 -9.580 11.481 1.00 0.00 N ATOM 582 CA CYS A 36 5.261 -8.419 10.811 1.00 0.00 C ATOM 583 C CYS A 36 4.842 -8.778 9.387 1.00 0.00 C ATOM 584 O CYS A 36 3.742 -8.460 8.953 1.00 0.00 O ATOM 585 CB CYS A 36 6.277 -7.282 10.786 1.00 0.00 C ATOM 586 SG CYS A 36 5.859 -5.891 11.884 1.00 0.00 S ATOM 0 H CYS A 36 6.673 -9.945 11.051 1.00 0.00 H new ATOM 0 HA CYS A 36 4.380 -8.093 11.363 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.253 -7.675 11.070 1.00 0.00 H new ATOM 0 HB3 CYS A 36 6.367 -6.911 9.765 1.00 0.00 H new ATOM 591 N SER A 37 5.739 -9.458 8.674 1.00 0.00 N ATOM 592 CA SER A 37 5.462 -9.873 7.300 1.00 0.00 C ATOM 593 C SER A 37 4.206 -10.738 7.236 1.00 0.00 C ATOM 594 O SER A 37 3.294 -10.464 6.465 1.00 0.00 O ATOM 595 CB SER A 37 6.658 -10.639 6.726 1.00 0.00 C ATOM 596 OG SER A 37 7.413 -9.821 5.848 1.00 0.00 O ATOM 0 H SER A 37 6.658 -9.732 9.022 1.00 0.00 H new ATOM 0 HA SER A 37 5.293 -8.978 6.702 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.294 -10.989 7.539 1.00 0.00 H new ATOM 0 HB3 SER A 37 6.306 -11.522 6.193 1.00 0.00 H new ATOM 0 HG SER A 37 7.460 -8.911 6.208 1.00 0.00 H new ATOM 602 N PRO A 38 4.149 -11.798 8.069 1.00 0.00 N ATOM 603 CA PRO A 38 2.994 -12.697 8.112 1.00 0.00 C ATOM 604 C PRO A 38 1.676 -11.942 8.289 1.00 0.00 C ATOM 605 O PRO A 38 0.713 -12.175 7.558 1.00 0.00 O ATOM 606 CB PRO A 38 3.271 -13.582 9.325 1.00 0.00 C ATOM 607 CG PRO A 38 4.751 -13.556 9.482 1.00 0.00 C ATOM 608 CD PRO A 38 5.192 -12.195 9.035 1.00 0.00 C ATOM 0 HA PRO A 38 2.880 -13.254 7.182 1.00 0.00 H new ATOM 0 HB2 PRO A 38 2.772 -13.201 10.216 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.907 -14.597 9.166 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.036 -13.737 10.518 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.221 -14.335 8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 38 5.252 -11.498 9.870 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.178 -12.224 8.572 1.00 0.00 H new ATOM 616 N GLU A 39 1.650 -11.035 9.265 1.00 0.00 N ATOM 617 CA GLU A 39 0.457 -10.244 9.544 1.00 0.00 C ATOM 618 C GLU A 39 -0.001 -9.581 8.266 1.00 0.00 C ATOM 619 O GLU A 39 -1.081 -9.900 7.796 1.00 0.00 O ATOM 620 CB GLU A 39 0.756 -9.175 10.596 1.00 0.00 C ATOM 621 CG GLU A 39 1.275 -9.746 11.902 1.00 0.00 C ATOM 622 CD GLU A 39 0.264 -10.633 12.596 1.00 0.00 C ATOM 623 OE1 GLU A 39 0.021 -11.737 12.088 1.00 0.00 O ATOM 624 OE2 GLU A 39 -0.190 -10.211 13.649 1.00 0.00 O ATOM 0 H GLU A 39 2.442 -10.831 9.874 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.325 -10.899 9.928 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.491 -8.477 10.195 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.152 -8.605 10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.182 -10.319 11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.551 -8.928 12.567 1.00 0.00 H new ATOM 631 N GLY A 40 0.717 -8.664 7.708 1.00 0.00 N ATOM 632 CA GLY A 40 0.320 -7.980 6.493 1.00 0.00 C ATOM 633 C GLY A 40 0.473 -8.846 5.259 1.00 0.00 C ATOM 634 O GLY A 40 0.117 -8.432 4.152 1.00 0.00 O ATOM 0 H GLY A 40 1.615 -8.353 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.719 -7.662 6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.920 -7.078 6.376 1.00 0.00 H new ATOM 638 N LYS A 41 0.999 -10.057 5.436 1.00 0.00 N ATOM 639 CA LYS A 41 1.214 -10.981 4.337 1.00 0.00 C ATOM 640 C LYS A 41 0.017 -11.082 3.423 1.00 0.00 C ATOM 641 O LYS A 41 0.130 -11.341 2.230 1.00 0.00 O ATOM 642 CB LYS A 41 1.576 -12.367 4.876 1.00 0.00 C ATOM 643 CG LYS A 41 1.971 -13.357 3.787 1.00 0.00 C ATOM 644 CD LYS A 41 0.795 -14.233 3.378 1.00 0.00 C ATOM 645 CE LYS A 41 1.242 -15.664 3.113 1.00 0.00 C ATOM 646 NZ LYS A 41 1.756 -15.838 1.730 1.00 0.00 N ATOM 0 H LYS A 41 1.286 -10.419 6.345 1.00 0.00 H new ATOM 0 HA LYS A 41 2.041 -10.587 3.746 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.399 -12.270 5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.726 -12.767 5.429 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.342 -12.814 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.788 -13.985 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.041 -14.224 4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.327 -13.824 2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.019 -15.939 3.826 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.404 -16.342 3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.056 -16.356 1.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.926 -14.905 1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.646 -16.375 1.756 1.00 0.00 H new ATOM 660 N GLU A 42 -1.113 -10.886 3.982 1.00 0.00 N ATOM 661 CA GLU A 42 -2.333 -10.969 3.197 1.00 0.00 C ATOM 662 C GLU A 42 -2.373 -9.865 2.145 1.00 0.00 C ATOM 663 O GLU A 42 -2.622 -10.120 0.971 1.00 0.00 O ATOM 664 CB GLU A 42 -3.559 -10.880 4.101 1.00 0.00 C ATOM 665 CG GLU A 42 -4.807 -11.509 3.496 1.00 0.00 C ATOM 666 CD GLU A 42 -6.074 -11.058 4.189 1.00 0.00 C ATOM 667 OE1 GLU A 42 -5.992 -10.600 5.350 1.00 0.00 O ATOM 668 OE2 GLU A 42 -7.158 -11.161 3.578 1.00 0.00 O ATOM 0 H GLU A 42 -1.245 -10.667 4.970 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.344 -11.933 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.338 -11.370 5.049 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.761 -9.832 4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.864 -11.252 2.438 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.729 -12.595 3.557 1.00 0.00 H new ATOM 675 N LEU A 43 -2.114 -8.639 2.578 1.00 0.00 N ATOM 676 CA LEU A 43 -2.120 -7.504 1.666 1.00 0.00 C ATOM 677 C LEU A 43 -0.943 -7.591 0.707 1.00 0.00 C ATOM 678 O LEU A 43 -1.057 -7.231 -0.391 1.00 0.00 O ATOM 679 CB LEU A 43 -2.069 -6.184 2.439 1.00 0.00 C ATOM 680 CG LEU A 43 -3.114 -6.064 3.557 1.00 0.00 C ATOM 681 CD1 LEU A 43 -2.440 -6.000 4.915 1.00 0.00 C ATOM 682 CD2 LEU A 43 -3.988 -4.837 3.336 1.00 0.00 C ATOM 0 H LEU A 43 -1.899 -8.406 3.547 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.047 -7.533 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.076 -6.069 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.208 -5.361 1.738 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.748 -6.950 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.198 -5.915 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.856 -6.906 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.781 -5.132 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.724 -4.766 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.365 -3.942 3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.501 -4.924 2.378 1.00 0.00 H new ATOM 694 N LYS A 44 0.112 -8.089 1.203 1.00 0.00 N ATOM 695 CA LYS A 44 1.293 -8.231 0.367 1.00 0.00 C ATOM 696 C LYS A 44 1.146 -9.431 -0.493 1.00 0.00 C ATOM 697 O LYS A 44 1.707 -9.448 -1.583 1.00 0.00 O ATOM 698 CB LYS A 44 2.564 -8.353 1.224 1.00 0.00 C ATOM 699 CG LYS A 44 2.924 -9.779 1.613 1.00 0.00 C ATOM 700 CD LYS A 44 3.894 -10.401 0.628 1.00 0.00 C ATOM 701 CE LYS A 44 5.341 -10.170 1.049 1.00 0.00 C ATOM 702 NZ LYS A 44 5.580 -8.759 1.444 1.00 0.00 N ATOM 0 H LYS A 44 0.214 -8.410 2.166 1.00 0.00 H new ATOM 0 HA LYS A 44 1.389 -7.341 -0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.400 -7.916 0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.434 -7.763 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.365 -9.784 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.018 -10.383 1.662 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.702 -11.471 0.553 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.730 -9.977 -0.363 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.587 -10.828 1.883 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.006 -10.435 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.589 -8.625 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.305 -8.129 0.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.014 -8.534 2.287 1.00 0.00 H new ATOM 716 N GLU A 45 0.383 -10.421 -0.070 1.00 0.00 N ATOM 717 CA GLU A 45 0.144 -11.611 -0.858 1.00 0.00 C ATOM 718 C GLU A 45 -0.761 -11.286 -1.959 1.00 0.00 C ATOM 719 O GLU A 45 -0.619 -11.747 -3.089 1.00 0.00 O ATOM 720 CB GLU A 45 -0.314 -12.740 0.000 1.00 0.00 C ATOM 721 CG GLU A 45 -1.042 -13.833 -0.737 1.00 0.00 C ATOM 722 CD GLU A 45 -0.732 -15.219 -0.230 1.00 0.00 C ATOM 723 OE1 GLU A 45 0.205 -15.805 -0.658 1.00 0.00 O ATOM 724 OE2 GLU A 45 -1.502 -15.727 0.548 1.00 0.00 O ATOM 0 H GLU A 45 -0.090 -10.421 0.834 1.00 0.00 H new ATOM 0 HA GLU A 45 1.074 -11.961 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.552 -13.172 0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.969 -12.346 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.115 -13.659 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.787 -13.778 -1.795 1.00 0.00 H new ATOM 731 N HIS A 46 -1.760 -10.478 -1.624 1.00 0.00 N ATOM 732 CA HIS A 46 -2.765 -10.070 -2.594 1.00 0.00 C ATOM 733 C HIS A 46 -2.200 -9.048 -3.567 1.00 0.00 C ATOM 734 O HIS A 46 -2.556 -9.039 -4.747 1.00 0.00 O ATOM 735 CB HIS A 46 -3.989 -9.492 -1.871 1.00 0.00 C ATOM 736 CG HIS A 46 -4.827 -10.522 -1.181 1.00 0.00 C ATOM 737 ND1 HIS A 46 -5.834 -10.201 -0.319 1.00 0.00 N ATOM 738 CD2 HIS A 46 -4.795 -11.872 -1.247 1.00 0.00 C ATOM 739 CE1 HIS A 46 -6.399 -11.314 0.081 1.00 0.00 C ATOM 740 NE2 HIS A 46 -5.780 -12.339 -0.420 1.00 0.00 N ATOM 0 H HIS A 46 -1.894 -10.094 -0.689 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.068 -10.949 -3.163 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.653 -8.760 -1.137 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.607 -8.959 -2.593 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.119 -12.469 -1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -7.257 -11.370 0.734 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.991 -13.319 -0.231 1.00 0.00 H new ATOM 749 N LEU A 47 -1.320 -8.188 -3.069 1.00 0.00 N ATOM 750 CA LEU A 47 -0.701 -7.163 -3.900 1.00 0.00 C ATOM 751 C LEU A 47 0.351 -7.734 -4.741 1.00 0.00 C ATOM 752 O LEU A 47 0.310 -7.691 -5.967 1.00 0.00 O ATOM 753 CB LEU A 47 -0.189 -6.012 -3.033 1.00 0.00 C ATOM 754 CG LEU A 47 -1.184 -4.876 -2.802 1.00 0.00 C ATOM 755 CD1 LEU A 47 -2.469 -5.417 -2.204 1.00 0.00 C ATOM 756 CD2 LEU A 47 -0.578 -3.819 -1.890 1.00 0.00 C ATOM 0 H LEU A 47 -1.019 -8.180 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.455 -6.755 -4.573 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.110 -6.413 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.707 -5.600 -3.498 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.415 -4.414 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.169 -4.597 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.910 -6.144 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.252 -5.899 -1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.299 -3.016 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.324 -4.269 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.323 -3.414 -2.351 1.00 0.00 H new ATOM 768 N GLN A 48 1.372 -8.279 -4.076 1.00 0.00 N ATOM 769 CA GLN A 48 2.512 -8.859 -4.772 1.00 0.00 C ATOM 770 C GLN A 48 2.057 -9.852 -5.842 1.00 0.00 C ATOM 771 O GLN A 48 2.736 -10.053 -6.844 1.00 0.00 O ATOM 772 CB GLN A 48 3.456 -9.543 -3.771 1.00 0.00 C ATOM 773 CG GLN A 48 3.060 -10.970 -3.410 1.00 0.00 C ATOM 774 CD GLN A 48 3.830 -11.507 -2.209 1.00 0.00 C ATOM 775 OE1 GLN A 48 3.278 -12.245 -1.397 1.00 0.00 O ATOM 776 NE2 GLN A 48 5.103 -11.144 -2.115 1.00 0.00 N ATOM 0 H GLN A 48 1.429 -8.329 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 48 3.052 -8.053 -5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.463 -9.552 -4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.493 -8.947 -2.859 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.992 -11.003 -3.196 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.234 -11.619 -4.268 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.511 -10.528 -2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.673 -11.481 -1.339 1.00 0.00 H new ATOM 785 N ASP A 49 0.892 -10.453 -5.620 1.00 0.00 N ATOM 786 CA ASP A 49 0.343 -11.411 -6.567 1.00 0.00 C ATOM 787 C ASP A 49 0.000 -10.722 -7.874 1.00 0.00 C ATOM 788 O ASP A 49 0.033 -11.332 -8.945 1.00 0.00 O ATOM 789 CB ASP A 49 -0.805 -12.107 -5.971 1.00 0.00 C ATOM 790 CG ASP A 49 -0.455 -13.403 -5.271 1.00 0.00 C ATOM 791 OD1 ASP A 49 0.607 -13.528 -4.782 1.00 0.00 O ATOM 792 OD2 ASP A 49 -1.326 -14.297 -5.217 1.00 0.00 O ATOM 0 H ASP A 49 0.314 -10.293 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 49 1.091 -12.169 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.287 -11.441 -5.256 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.534 -12.316 -6.754 1.00 0.00 H new ATOM 797 N ALA A 50 -0.323 -9.451 -7.783 1.00 0.00 N ATOM 798 CA ALA A 50 -0.695 -8.676 -8.957 1.00 0.00 C ATOM 799 C ALA A 50 0.390 -8.570 -9.937 1.00 0.00 C ATOM 800 O ALA A 50 0.230 -8.798 -11.135 1.00 0.00 O ATOM 801 CB ALA A 50 -1.175 -7.297 -8.546 1.00 0.00 C ATOM 0 H ALA A 50 -0.337 -8.927 -6.908 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.508 -9.213 -9.446 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.450 -6.728 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.043 -7.393 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.378 -6.778 -8.015 1.00 0.00 H new ATOM 807 N ILE A 51 1.565 -8.224 -9.412 1.00 0.00 N ATOM 808 CA ILE A 51 2.776 -8.075 -10.225 1.00 0.00 C ATOM 809 C ILE A 51 2.486 -7.399 -11.564 1.00 0.00 C ATOM 810 O ILE A 51 2.544 -6.172 -11.673 1.00 0.00 O ATOM 811 CB ILE A 51 3.483 -9.431 -10.466 1.00 0.00 C ATOM 812 CG1 ILE A 51 2.502 -10.599 -10.342 1.00 0.00 C ATOM 813 CG2 ILE A 51 4.639 -9.603 -9.493 1.00 0.00 C ATOM 814 CD1 ILE A 51 3.121 -11.947 -10.615 1.00 0.00 C ATOM 0 H ILE A 51 1.706 -8.040 -8.419 1.00 0.00 H new ATOM 0 HA ILE A 51 3.446 -7.434 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 51 3.875 -9.431 -11.483 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.079 -10.601 -9.337 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.676 -10.442 -11.035 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.127 -10.561 -9.674 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.358 -8.796 -9.636 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.261 -9.575 -8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.364 -12.724 -10.508 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.519 -11.966 -11.630 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.928 -12.127 -9.905 1.00 0.00 H new ATOM 826 N GLU A 52 2.179 -8.195 -12.589 1.00 0.00 N ATOM 827 CA GLU A 52 1.882 -7.660 -13.908 1.00 0.00 C ATOM 828 C GLU A 52 0.717 -6.677 -13.852 1.00 0.00 C ATOM 829 O GLU A 52 0.320 -6.240 -12.775 1.00 0.00 O ATOM 830 CB GLU A 52 1.567 -8.801 -14.885 1.00 0.00 C ATOM 831 CG GLU A 52 0.282 -9.538 -14.562 1.00 0.00 C ATOM 832 CD GLU A 52 0.526 -10.925 -13.998 1.00 0.00 C ATOM 833 OE1 GLU A 52 1.277 -11.699 -14.633 1.00 0.00 O ATOM 834 OE2 GLU A 52 0.000 -11.236 -12.923 1.00 0.00 O ATOM 0 H GLU A 52 2.131 -9.212 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 52 2.762 -7.123 -14.262 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.500 -8.396 -15.895 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.394 -9.511 -14.881 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.295 -8.955 -13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.322 -9.619 -15.466 1.00 0.00 H new ATOM 841 N ASN A 53 0.178 -6.336 -15.016 1.00 0.00 N ATOM 842 CA ASN A 53 -0.868 -5.412 -15.088 1.00 0.00 C ATOM 843 C ASN A 53 -2.194 -6.162 -14.975 1.00 0.00 C ATOM 844 O ASN A 53 -3.070 -6.025 -15.829 1.00 0.00 O ATOM 845 CB ASN A 53 -0.825 -4.596 -16.388 1.00 0.00 C ATOM 846 CG ASN A 53 0.050 -5.177 -17.437 1.00 0.00 C ATOM 847 OD1 ASN A 53 1.332 -4.992 -17.221 1.00 0.00 O flip ATOM 848 ND2 ASN A 53 -0.332 -5.770 -18.418 1.00 0.00 N flip ATOM 0 H ASN A 53 0.477 -6.710 -15.917 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.764 -4.704 -14.266 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -1.837 -4.506 -16.782 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -0.481 -3.587 -16.160 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.331 -5.907 -18.574 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.344 -6.133 -19.090 1.00 0.00 H new ATOM 855 N GLY A 54 -2.330 -6.954 -13.922 1.00 0.00 N ATOM 856 CA GLY A 54 -3.546 -7.711 -13.713 1.00 0.00 C ATOM 857 C GLY A 54 -4.307 -7.276 -12.486 1.00 0.00 C ATOM 858 O GLY A 54 -5.465 -6.863 -12.578 1.00 0.00 O ATOM 0 H GLY A 54 -1.616 -7.086 -13.206 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.188 -7.606 -14.588 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.298 -8.769 -13.624 1.00 0.00 H new ATOM 862 N CYS A 55 -3.660 -7.358 -11.324 1.00 0.00 N ATOM 863 CA CYS A 55 -4.298 -6.966 -10.067 1.00 0.00 C ATOM 864 C CYS A 55 -5.435 -7.918 -9.723 1.00 0.00 C ATOM 865 O CYS A 55 -6.605 -7.534 -9.762 1.00 0.00 O ATOM 866 CB CYS A 55 -4.797 -5.514 -10.144 1.00 0.00 C ATOM 867 SG CYS A 55 -3.976 -4.367 -8.999 1.00 0.00 S ATOM 0 H CYS A 55 -2.701 -7.690 -11.226 1.00 0.00 H new ATOM 0 HA CYS A 55 -3.557 -7.026 -9.270 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.659 -5.150 -11.162 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -5.868 -5.501 -9.943 1.00 0.00 H new ATOM 872 N LYS A 56 -5.082 -9.156 -9.407 1.00 0.00 N ATOM 873 CA LYS A 56 -6.077 -10.168 -9.065 1.00 0.00 C ATOM 874 C LYS A 56 -6.981 -9.695 -7.927 1.00 0.00 C ATOM 875 O LYS A 56 -8.202 -9.688 -8.061 1.00 0.00 O ATOM 876 CB LYS A 56 -5.388 -11.475 -8.671 1.00 0.00 C ATOM 877 CG LYS A 56 -4.403 -11.981 -9.714 1.00 0.00 C ATOM 878 CD LYS A 56 -5.017 -13.061 -10.590 1.00 0.00 C ATOM 879 CE LYS A 56 -6.183 -12.518 -11.400 1.00 0.00 C ATOM 880 NZ LYS A 56 -7.494 -12.820 -10.758 1.00 0.00 N ATOM 0 H LYS A 56 -4.117 -9.485 -9.380 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.697 -10.338 -9.945 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.862 -11.329 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.147 -12.239 -8.499 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.074 -11.150 -10.338 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.517 -12.376 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.259 -13.461 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.358 -13.888 -9.967 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.075 -11.439 -11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.161 -12.948 -12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.080 -13.379 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.336 -13.362 -9.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.982 -11.930 -10.530 1.00 0.00 H new ATOM 894 N LYS A 57 -6.367 -9.307 -6.825 1.00 0.00 N ATOM 895 CA LYS A 57 -7.119 -8.831 -5.667 1.00 0.00 C ATOM 896 C LYS A 57 -7.382 -7.331 -5.765 1.00 0.00 C ATOM 897 O LYS A 57 -8.529 -6.892 -5.735 1.00 0.00 O ATOM 898 CB LYS A 57 -6.361 -9.136 -4.371 1.00 0.00 C ATOM 899 CG LYS A 57 -7.198 -8.959 -3.115 1.00 0.00 C ATOM 900 CD LYS A 57 -8.333 -9.963 -3.055 1.00 0.00 C ATOM 901 CE LYS A 57 -7.814 -11.395 -3.020 1.00 0.00 C ATOM 902 NZ LYS A 57 -7.838 -12.025 -4.368 1.00 0.00 N ATOM 0 H LYS A 57 -5.354 -9.310 -6.702 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.075 -9.354 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.992 -10.161 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.488 -8.486 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.564 -9.072 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.604 -7.948 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.940 -9.774 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.982 -9.832 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.795 -11.403 -2.633 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.420 -11.985 -2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.320 -12.945 -4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.347 -11.407 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.864 -12.164 -4.703 1.00 0.00 H new ATOM 916 N CYS A 58 -6.306 -6.553 -5.881 1.00 0.00 N ATOM 917 CA CYS A 58 -6.409 -5.101 -5.985 1.00 0.00 C ATOM 918 C CYS A 58 -7.286 -4.693 -7.171 1.00 0.00 C ATOM 919 O CYS A 58 -6.783 -4.406 -8.251 1.00 0.00 O ATOM 920 CB CYS A 58 -5.028 -4.470 -6.140 1.00 0.00 C ATOM 921 SG CYS A 58 -3.898 -5.387 -7.241 1.00 0.00 S ATOM 0 H CYS A 58 -5.350 -6.908 -5.905 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.869 -4.741 -5.065 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -5.146 -3.457 -6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.568 -4.386 -5.155 1.00 0.00 H new ATOM 926 N THR A 59 -8.592 -4.682 -6.951 1.00 0.00 N ATOM 927 CA THR A 59 -9.535 -4.324 -7.998 1.00 0.00 C ATOM 928 C THR A 59 -10.867 -3.911 -7.443 1.00 0.00 C ATOM 929 O THR A 59 -11.433 -4.556 -6.562 1.00 0.00 O ATOM 930 CB THR A 59 -9.691 -5.500 -8.965 1.00 0.00 C ATOM 931 OG1 THR A 59 -9.340 -5.118 -10.283 1.00 0.00 O ATOM 932 CG2 THR A 59 -11.086 -6.088 -9.003 1.00 0.00 C ATOM 0 H THR A 59 -9.022 -4.917 -6.057 1.00 0.00 H new ATOM 0 HA THR A 59 -9.137 -3.461 -8.532 1.00 0.00 H new ATOM 0 HB THR A 59 -9.017 -6.267 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.445 -5.884 -10.885 1.00 0.00 H new ATOM 0 HG21 THR A 59 -11.113 -6.916 -9.712 1.00 0.00 H new ATOM 0 HG22 THR A 59 -11.355 -6.451 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 59 -11.796 -5.321 -9.314 1.00 0.00 H new ATOM 940 N GLU A 60 -11.353 -2.821 -7.999 1.00 0.00 N ATOM 941 CA GLU A 60 -12.620 -2.259 -7.618 1.00 0.00 C ATOM 942 C GLU A 60 -12.671 -1.987 -6.137 1.00 0.00 C ATOM 943 O GLU A 60 -12.225 -2.788 -5.319 1.00 0.00 O ATOM 944 CB GLU A 60 -13.776 -3.167 -8.039 1.00 0.00 C ATOM 945 CG GLU A 60 -15.128 -2.488 -7.986 1.00 0.00 C ATOM 946 CD GLU A 60 -16.035 -2.898 -9.128 1.00 0.00 C ATOM 947 OE1 GLU A 60 -15.729 -2.539 -10.283 1.00 0.00 O ATOM 948 OE2 GLU A 60 -17.045 -3.588 -8.874 1.00 0.00 O ATOM 0 H GLU A 60 -10.872 -2.301 -8.733 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.728 -1.309 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.597 -3.523 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.793 -4.044 -7.392 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.613 -2.727 -7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.988 -1.407 -8.009 1.00 0.00 H new ATOM 955 N ASN A 61 -13.189 -0.827 -5.818 1.00 0.00 N ATOM 956 CA ASN A 61 -13.308 -0.375 -4.434 1.00 0.00 C ATOM 957 C ASN A 61 -11.973 -0.533 -3.745 1.00 0.00 C ATOM 958 O ASN A 61 -11.245 0.372 -3.541 1.00 0.00 O ATOM 959 CB ASN A 61 -14.382 -1.172 -3.704 1.00 0.00 C ATOM 960 CG ASN A 61 -15.513 -0.299 -3.204 1.00 0.00 C ATOM 961 OD1 ASN A 61 -15.298 0.772 -2.808 1.00 0.00 O ATOM 962 ND2 ASN A 61 -16.726 -0.831 -3.217 1.00 0.00 N ATOM 0 H ASN A 61 -13.544 -0.161 -6.504 1.00 0.00 H new ATOM 0 HA ASN A 61 -13.600 0.675 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.783 -1.933 -4.374 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.931 -1.695 -2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -17.521 -0.296 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -16.865 -1.776 -3.575 1.00 0.00 H new ATOM 969 N GLN A 62 -11.617 -1.775 -3.440 1.00 0.00 N ATOM 970 CA GLN A 62 -10.336 -2.052 -2.832 1.00 0.00 C ATOM 971 C GLN A 62 -9.253 -1.436 -3.709 1.00 0.00 C ATOM 972 O GLN A 62 -8.192 -1.034 -3.227 1.00 0.00 O ATOM 973 CB GLN A 62 -10.106 -3.550 -2.663 1.00 0.00 C ATOM 974 CG GLN A 62 -10.575 -4.383 -3.847 1.00 0.00 C ATOM 975 CD GLN A 62 -10.083 -5.813 -3.782 1.00 0.00 C ATOM 976 OE1 GLN A 62 -9.003 -6.090 -3.253 1.00 0.00 O ATOM 977 NE2 GLN A 62 -10.880 -6.740 -4.316 1.00 0.00 N ATOM 0 H GLN A 62 -12.198 -2.597 -3.605 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.308 -1.616 -1.833 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.043 -3.729 -2.504 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.624 -3.888 -1.765 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.664 -4.378 -3.881 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.225 -3.924 -4.771 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -11.765 -6.467 -4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.605 -7.722 -4.297 1.00 0.00 H new ATOM 986 N GLU A 63 -9.556 -1.332 -5.009 1.00 0.00 N ATOM 987 CA GLU A 63 -8.611 -0.720 -5.939 1.00 0.00 C ATOM 988 C GLU A 63 -8.442 0.672 -5.589 1.00 0.00 C ATOM 989 O GLU A 63 -7.322 1.194 -5.568 1.00 0.00 O ATOM 990 CB GLU A 63 -9.128 -0.859 -7.366 1.00 0.00 C ATOM 991 CG GLU A 63 -8.185 -0.276 -8.409 1.00 0.00 C ATOM 992 CD GLU A 63 -8.930 0.392 -9.504 1.00 0.00 C ATOM 993 OE1 GLU A 63 -9.458 -0.212 -10.415 1.00 0.00 O ATOM 994 OE2 GLU A 63 -8.991 1.624 -9.450 1.00 0.00 O ATOM 0 H GLU A 63 -10.427 -1.656 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.646 -1.223 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -9.292 -1.914 -7.584 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.096 -0.363 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.514 0.440 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.563 -1.070 -8.822 1.00 0.00 H new ATOM 1001 N LYS A 64 -9.560 1.324 -5.301 1.00 0.00 N ATOM 1002 CA LYS A 64 -9.557 2.727 -4.948 1.00 0.00 C ATOM 1003 C LYS A 64 -8.923 2.935 -3.577 1.00 0.00 C ATOM 1004 O LYS A 64 -7.983 3.706 -3.435 1.00 0.00 O ATOM 1005 CB LYS A 64 -10.975 3.281 -4.961 1.00 0.00 C ATOM 1006 CG LYS A 64 -11.047 4.772 -4.670 1.00 0.00 C ATOM 1007 CD LYS A 64 -12.423 5.332 -4.989 1.00 0.00 C ATOM 1008 CE LYS A 64 -12.790 5.114 -6.444 1.00 0.00 C ATOM 1009 NZ LYS A 64 -13.405 6.326 -7.049 1.00 0.00 N ATOM 0 H LYS A 64 -10.485 0.895 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.964 3.264 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.423 3.087 -5.935 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.572 2.746 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.814 4.951 -3.620 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.294 5.296 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.167 4.856 -4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.444 6.398 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.897 4.841 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.484 4.277 -6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.641 6.136 -8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.271 6.573 -6.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.733 7.118 -6.998 1.00 0.00 H new ATOM 1023 N GLY A 65 -9.435 2.230 -2.577 1.00 0.00 N ATOM 1024 CA GLY A 65 -8.890 2.357 -1.235 1.00 0.00 C ATOM 1025 C GLY A 65 -7.398 2.143 -1.210 1.00 0.00 C ATOM 1026 O GLY A 65 -6.679 2.828 -0.483 1.00 0.00 O ATOM 0 H GLY A 65 -10.213 1.576 -2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.121 3.347 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.371 1.633 -0.578 1.00 0.00 H new ATOM 1030 N ALA A 66 -6.921 1.215 -2.020 1.00 0.00 N ATOM 1031 CA ALA A 66 -5.492 0.937 -2.092 1.00 0.00 C ATOM 1032 C ALA A 66 -4.750 2.099 -2.734 1.00 0.00 C ATOM 1033 O ALA A 66 -3.924 2.738 -2.079 1.00 0.00 O ATOM 1034 CB ALA A 66 -5.234 -0.273 -2.859 1.00 0.00 C ATOM 0 H ALA A 66 -7.497 0.641 -2.636 1.00 0.00 H new ATOM 0 HA ALA A 66 -5.135 0.797 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.160 -0.458 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -5.731 -1.118 -2.383 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.617 -0.150 -3.872 1.00 0.00 H new ATOM 1040 N TYR A 67 -5.055 2.382 -3.999 1.00 0.00 N ATOM 1041 CA TYR A 67 -4.399 3.485 -4.690 1.00 0.00 C ATOM 1042 C TYR A 67 -4.461 4.747 -3.832 1.00 0.00 C ATOM 1043 O TYR A 67 -3.442 5.400 -3.592 1.00 0.00 O ATOM 1044 CB TYR A 67 -5.054 3.742 -6.047 1.00 0.00 C ATOM 1045 CG TYR A 67 -4.160 4.454 -7.035 1.00 0.00 C ATOM 1046 CD1 TYR A 67 -3.159 3.761 -7.715 1.00 0.00 C ATOM 1047 CD2 TYR A 67 -4.309 5.809 -7.288 1.00 0.00 C ATOM 1048 CE1 TYR A 67 -2.342 4.412 -8.620 1.00 0.00 C ATOM 1049 CE2 TYR A 67 -3.494 6.461 -8.196 1.00 0.00 C ATOM 1050 CZ TYR A 67 -2.507 5.756 -8.855 1.00 0.00 C ATOM 1051 OH TYR A 67 -1.689 6.400 -9.756 1.00 0.00 O ATOM 0 H TYR A 67 -5.740 1.872 -4.556 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.356 3.215 -4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.365 2.789 -6.475 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.957 4.334 -5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.021 2.705 -7.533 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -5.075 6.365 -6.767 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.573 3.864 -9.143 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.629 7.515 -8.388 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.938 7.346 -9.806 1.00 0.00 H new ATOM 1061 N ARG A 68 -5.661 5.067 -3.363 1.00 0.00 N ATOM 1062 CA ARG A 68 -5.860 6.231 -2.516 1.00 0.00 C ATOM 1063 C ARG A 68 -4.963 6.190 -1.295 1.00 0.00 C ATOM 1064 O ARG A 68 -4.498 7.224 -0.813 1.00 0.00 O ATOM 1065 CB ARG A 68 -7.329 6.325 -2.077 1.00 0.00 C ATOM 1066 CG ARG A 68 -7.851 7.750 -2.018 1.00 0.00 C ATOM 1067 CD ARG A 68 -7.776 8.313 -0.612 1.00 0.00 C ATOM 1068 NE ARG A 68 -8.706 7.650 0.231 1.00 0.00 N ATOM 1069 CZ ARG A 68 -9.082 8.146 1.388 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -8.605 9.315 1.806 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -9.937 7.478 2.151 1.00 0.00 N ATOM 0 H ARG A 68 -6.510 4.535 -3.556 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.598 7.113 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.944 5.749 -2.768 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.437 5.865 -1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.272 8.379 -2.694 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.884 7.775 -2.366 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.767 8.193 -0.218 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.987 9.382 -0.629 1.00 0.00 H new ATOM 0 HE ARG A 68 -9.096 6.758 -0.072 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.943 9.832 1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.901 9.694 2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -10.303 6.578 1.840 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.228 7.864 3.049 1.00 0.00 H new ATOM 1085 N VAL A 69 -4.703 4.982 -0.783 1.00 0.00 N ATOM 1086 CA VAL A 69 -3.844 4.844 0.292 1.00 0.00 C ATOM 1087 C VAL A 69 -2.435 5.344 0.020 1.00 0.00 C ATOM 1088 O VAL A 69 -1.755 5.888 0.850 1.00 0.00 O ATOM 1089 CB VAL A 69 -3.804 3.383 0.817 1.00 0.00 C ATOM 1090 CG1 VAL A 69 -2.424 3.005 1.341 1.00 0.00 C ATOM 1091 CG2 VAL A 69 -4.860 3.186 1.895 1.00 0.00 C ATOM 0 H VAL A 69 -5.100 4.109 -1.131 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.260 5.486 1.068 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.022 2.722 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.440 1.975 1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.692 3.099 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.152 3.670 2.161 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.824 2.158 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.667 3.869 2.722 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.847 3.390 1.479 1.00 0.00 H new ATOM 1101 N ILE A 70 -2.021 5.194 -1.183 1.00 0.00 N ATOM 1102 CA ILE A 70 -0.709 5.670 -1.585 1.00 0.00 C ATOM 1103 C ILE A 70 -0.756 7.189 -1.758 1.00 0.00 C ATOM 1104 O ILE A 70 0.158 7.879 -1.525 1.00 0.00 O ATOM 1105 CB ILE A 70 -0.214 5.005 -2.890 1.00 0.00 C ATOM 1106 CG1 ILE A 70 0.489 3.725 -2.569 1.00 0.00 C ATOM 1107 CG2 ILE A 70 0.570 5.974 -3.688 1.00 0.00 C ATOM 1108 CD1 ILE A 70 1.376 3.237 -3.701 1.00 0.00 C ATOM 0 H ILE A 70 -2.559 4.746 -1.925 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.002 5.399 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.051 4.723 -3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.095 3.864 -1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.251 2.958 -2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.914 5.496 -4.605 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.056 6.830 -3.938 1.00 0.00 H new ATOM 0 HG23 ILE A 70 1.430 6.310 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.859 2.305 -3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.770 3.068 -4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.136 3.988 -3.917 1.00 0.00 H new ATOM 1120 N GLU A 71 -1.921 7.686 -2.169 1.00 0.00 N ATOM 1121 CA GLU A 71 -2.112 9.114 -2.369 1.00 0.00 C ATOM 1122 C GLU A 71 -2.055 9.854 -1.036 1.00 0.00 C ATOM 1123 O GLU A 71 -1.546 10.970 -0.953 1.00 0.00 O ATOM 1124 CB GLU A 71 -3.449 9.383 -3.078 1.00 0.00 C ATOM 1125 CG GLU A 71 -4.561 9.905 -2.180 1.00 0.00 C ATOM 1126 CD GLU A 71 -4.465 11.393 -1.941 1.00 0.00 C ATOM 1127 OE1 GLU A 71 -4.796 12.167 -2.864 1.00 0.00 O ATOM 1128 OE2 GLU A 71 -4.060 11.795 -0.832 1.00 0.00 O ATOM 0 H GLU A 71 -2.744 7.118 -2.369 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.305 9.484 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.280 10.104 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.786 8.459 -3.548 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.526 9.675 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.525 9.384 -1.223 1.00 0.00 H new ATOM 1135 N HIS A 72 -2.583 9.225 0.000 1.00 0.00 N ATOM 1136 CA HIS A 72 -2.583 9.832 1.253 1.00 0.00 C ATOM 1137 C HIS A 72 -1.231 9.658 1.922 1.00 0.00 C ATOM 1138 O HIS A 72 -0.688 10.594 2.512 1.00 0.00 O ATOM 1139 CB HIS A 72 -3.684 9.218 2.119 1.00 0.00 C ATOM 1140 CG HIS A 72 -3.813 9.852 3.469 1.00 0.00 C ATOM 1141 ND1 HIS A 72 -2.811 9.815 4.408 1.00 0.00 N ATOM 1142 CD2 HIS A 72 -4.829 10.542 4.030 1.00 0.00 C ATOM 1143 CE1 HIS A 72 -3.198 10.461 5.494 1.00 0.00 C ATOM 1144 NE2 HIS A 72 -4.421 10.911 5.293 1.00 0.00 N ATOM 0 H HIS A 72 -3.008 8.298 -0.035 1.00 0.00 H new ATOM 0 HA HIS A 72 -2.774 10.898 1.133 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.636 9.303 1.595 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.484 8.154 2.245 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.783 10.763 3.574 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.613 10.597 6.392 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -4.974 11.445 5.963 1.00 0.00 H new ATOM 1153 N LEU A 73 -0.688 8.452 1.831 1.00 0.00 N ATOM 1154 CA LEU A 73 0.523 8.167 2.417 1.00 0.00 C ATOM 1155 C LEU A 73 1.621 8.913 1.680 1.00 0.00 C ATOM 1156 O LEU A 73 2.574 9.407 2.296 1.00 0.00 O ATOM 1157 CB LEU A 73 0.790 6.663 2.405 1.00 0.00 C ATOM 1158 CG LEU A 73 0.289 5.899 3.631 1.00 0.00 C ATOM 1159 CD1 LEU A 73 0.868 6.484 4.902 1.00 0.00 C ATOM 1160 CD2 LEU A 73 -1.156 5.917 3.673 1.00 0.00 C ATOM 0 H LEU A 73 -1.114 7.669 1.335 1.00 0.00 H new ATOM 0 HA LEU A 73 0.503 8.491 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.325 6.236 1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.864 6.502 2.312 1.00 0.00 H new ATOM 0 HG LEU A 73 0.622 4.864 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.498 5.925 5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.956 6.421 4.869 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.568 7.528 4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -1.501 5.370 4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.506 6.948 3.727 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.552 5.447 2.773 1.00 0.00 H new ATOM 1172 N ILE A 74 1.478 9.015 0.362 1.00 0.00 N ATOM 1173 CA ILE A 74 2.451 9.725 -0.370 1.00 0.00 C ATOM 1174 C ILE A 74 2.757 11.085 0.180 1.00 0.00 C ATOM 1175 O ILE A 74 3.917 11.463 0.337 1.00 0.00 O ATOM 1176 CB ILE A 74 1.964 9.902 -1.830 1.00 0.00 C ATOM 1177 CG1 ILE A 74 2.446 8.732 -2.702 1.00 0.00 C ATOM 1178 CG2 ILE A 74 2.421 11.222 -2.426 1.00 0.00 C ATOM 1179 CD1 ILE A 74 1.725 8.640 -4.032 1.00 0.00 C ATOM 0 H ILE A 74 0.713 8.619 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 74 3.365 9.134 -0.306 1.00 0.00 H new ATOM 0 HB ILE A 74 0.874 9.910 -1.810 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.516 8.839 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.307 7.799 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.057 11.304 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.024 12.046 -1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.510 11.265 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.113 7.793 -4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.658 8.502 -3.859 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.885 9.558 -4.597 1.00 0.00 H new ATOM 1191 N LYS A 75 1.698 11.826 0.511 1.00 0.00 N ATOM 1192 CA LYS A 75 1.840 13.133 1.106 1.00 0.00 C ATOM 1193 C LYS A 75 2.082 13.033 2.604 1.00 0.00 C ATOM 1194 O LYS A 75 2.793 13.852 3.187 1.00 0.00 O ATOM 1195 CB LYS A 75 0.602 13.954 0.822 1.00 0.00 C ATOM 1196 CG LYS A 75 0.271 14.062 -0.579 1.00 0.00 C ATOM 1197 CD LYS A 75 -0.450 15.326 -0.877 1.00 0.00 C ATOM 1198 CE LYS A 75 -1.903 15.183 -0.464 1.00 0.00 C ATOM 1199 NZ LYS A 75 -2.770 14.807 -1.611 1.00 0.00 N ATOM 0 H LYS A 75 0.732 11.531 0.371 1.00 0.00 H new ATOM 0 HA LYS A 75 2.708 13.624 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.243 13.511 1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.743 14.955 1.229 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.184 14.015 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.346 13.213 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.012 16.156 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.383 15.554 -1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.986 14.427 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.253 16.123 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.755 14.719 -1.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.711 15.541 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.452 13.898 -2.003 1.00 0.00 H new ATOM 1213 N ASN A 76 1.502 12.015 3.232 1.00 0.00 N ATOM 1214 CA ASN A 76 1.668 11.810 4.660 1.00 0.00 C ATOM 1215 C ASN A 76 3.132 11.918 5.037 1.00 0.00 C ATOM 1216 O ASN A 76 3.515 12.620 5.968 1.00 0.00 O ATOM 1217 CB ASN A 76 1.122 10.428 5.059 1.00 0.00 C ATOM 1218 CG ASN A 76 2.206 9.407 5.386 1.00 0.00 C ATOM 1219 OD1 ASN A 76 2.575 8.593 4.550 1.00 0.00 O ATOM 1220 ND2 ASN A 76 2.705 9.457 6.615 1.00 0.00 N ATOM 0 H ASN A 76 0.913 11.321 2.771 1.00 0.00 H new ATOM 0 HA ASN A 76 1.110 12.580 5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.470 10.542 5.925 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.507 10.043 4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.430 8.797 6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 76 2.364 10.155 7.276 1.00 0.00 H new ATOM 1227 N GLU A 77 3.949 11.210 4.268 1.00 0.00 N ATOM 1228 CA GLU A 77 5.386 11.205 4.472 1.00 0.00 C ATOM 1229 C GLU A 77 6.082 10.327 3.453 1.00 0.00 C ATOM 1230 O GLU A 77 7.091 9.683 3.756 1.00 0.00 O ATOM 1231 CB GLU A 77 5.736 10.752 5.900 1.00 0.00 C ATOM 1232 CG GLU A 77 6.002 11.890 6.858 1.00 0.00 C ATOM 1233 CD GLU A 77 7.464 12.020 7.227 1.00 0.00 C ATOM 1234 OE1 GLU A 77 8.294 12.191 6.311 1.00 0.00 O ATOM 1235 OE2 GLU A 77 7.779 11.947 8.431 1.00 0.00 O ATOM 0 H GLU A 77 3.634 10.628 3.492 1.00 0.00 H new ATOM 0 HA GLU A 77 5.741 12.227 4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.917 10.147 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.616 10.110 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.661 12.823 6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.416 11.740 7.765 1.00 0.00 H new ATOM 1242 N ILE A 78 5.551 10.325 2.238 1.00 0.00 N ATOM 1243 CA ILE A 78 6.106 9.551 1.137 1.00 0.00 C ATOM 1244 C ILE A 78 6.685 8.229 1.627 1.00 0.00 C ATOM 1245 O ILE A 78 7.667 7.710 1.083 1.00 0.00 O ATOM 1246 CB ILE A 78 7.161 10.370 0.380 1.00 0.00 C ATOM 1247 CG1 ILE A 78 7.099 10.046 -1.026 1.00 0.00 C ATOM 1248 CG2 ILE A 78 8.564 10.142 0.932 1.00 0.00 C ATOM 1249 CD1 ILE A 78 7.304 8.587 -1.338 1.00 0.00 C ATOM 0 H ILE A 78 4.721 10.862 1.988 1.00 0.00 H new ATOM 0 HA ILE A 78 5.296 9.317 0.446 1.00 0.00 H new ATOM 0 HB ILE A 78 6.939 11.428 0.518 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.129 10.355 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.855 10.628 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.279 10.741 0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 78 8.594 10.435 1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.823 9.087 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.242 8.433 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.286 8.273 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.533 7.997 -0.842 1.00 0.00 H new ATOM 1261 N GLU A 79 6.066 7.666 2.652 1.00 0.00 N ATOM 1262 CA GLU A 79 6.518 6.407 3.197 1.00 0.00 C ATOM 1263 C GLU A 79 6.182 5.271 2.248 1.00 0.00 C ATOM 1264 O GLU A 79 6.598 4.130 2.443 1.00 0.00 O ATOM 1265 CB GLU A 79 5.886 6.169 4.569 1.00 0.00 C ATOM 1266 CG GLU A 79 4.362 6.164 4.534 1.00 0.00 C ATOM 1267 CD GLU A 79 3.771 4.770 4.462 1.00 0.00 C ATOM 1268 OE1 GLU A 79 4.131 4.018 3.527 1.00 0.00 O ATOM 1269 OE2 GLU A 79 2.956 4.429 5.344 1.00 0.00 O ATOM 0 H GLU A 79 5.251 8.064 3.119 1.00 0.00 H new ATOM 0 HA GLU A 79 7.601 6.444 3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.237 5.216 4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 79 6.225 6.943 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.983 6.667 5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.023 6.740 3.673 1.00 0.00 H new ATOM 1276 N ILE A 80 5.409 5.593 1.208 1.00 0.00 N ATOM 1277 CA ILE A 80 5.006 4.600 0.219 1.00 0.00 C ATOM 1278 C ILE A 80 6.204 3.946 -0.356 1.00 0.00 C ATOM 1279 O ILE A 80 6.406 2.742 -0.232 1.00 0.00 O ATOM 1280 CB ILE A 80 4.095 5.218 -0.780 1.00 0.00 C ATOM 1281 CG1 ILE A 80 2.867 5.817 -0.136 1.00 0.00 C ATOM 1282 CG2 ILE A 80 3.669 4.166 -1.797 1.00 0.00 C ATOM 1283 CD1 ILE A 80 2.101 4.775 0.559 1.00 0.00 C ATOM 0 H ILE A 80 5.052 6.532 1.032 1.00 0.00 H new ATOM 0 HA ILE A 80 4.430 3.801 0.685 1.00 0.00 H new ATOM 0 HB ILE A 80 4.640 6.025 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.160 6.595 0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.244 6.292 -0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 80 3.001 4.618 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.550 3.772 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.151 3.355 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 80 1.218 5.218 1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.793 4.012 -0.156 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.722 4.320 1.330 1.00 0.00 H new ATOM 1295 N TRP A 81 6.993 4.745 -1.072 1.00 0.00 N ATOM 1296 CA TRP A 81 8.165 4.214 -1.770 1.00 0.00 C ATOM 1297 C TRP A 81 9.000 3.339 -0.840 1.00 0.00 C ATOM 1298 O TRP A 81 9.689 2.429 -1.302 1.00 0.00 O ATOM 1299 CB TRP A 81 9.013 5.337 -2.354 1.00 0.00 C ATOM 1300 CG TRP A 81 8.246 6.279 -3.238 1.00 0.00 C ATOM 1301 CD1 TRP A 81 8.697 7.465 -3.730 1.00 0.00 C ATOM 1302 CD2 TRP A 81 6.902 6.121 -3.742 1.00 0.00 C ATOM 1303 NE1 TRP A 81 7.728 8.067 -4.489 1.00 0.00 N ATOM 1304 CE2 TRP A 81 6.614 7.263 -4.514 1.00 0.00 C ATOM 1305 CE3 TRP A 81 5.906 5.142 -3.610 1.00 0.00 C ATOM 1306 CZ2 TRP A 81 5.389 7.445 -5.146 1.00 0.00 C ATOM 1307 CZ3 TRP A 81 4.698 5.328 -4.252 1.00 0.00 C ATOM 1308 CH2 TRP A 81 4.452 6.473 -5.008 1.00 0.00 C ATOM 0 H TRP A 81 6.847 5.748 -1.184 1.00 0.00 H new ATOM 0 HA TRP A 81 7.809 3.597 -2.595 1.00 0.00 H new ATOM 0 HB2 TRP A 81 9.461 5.903 -1.538 1.00 0.00 H new ATOM 0 HB3 TRP A 81 9.832 4.901 -2.927 1.00 0.00 H new ATOM 0 HD1 TRP A 81 9.680 7.874 -3.548 1.00 0.00 H new ATOM 0 HE1 TRP A 81 7.819 8.967 -4.960 1.00 0.00 H new ATOM 0 HE3 TRP A 81 6.081 4.257 -3.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.189 8.332 -5.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 3.930 4.573 -4.167 1.00 0.00 H new ATOM 0 HH2 TRP A 81 3.495 6.589 -5.495 1.00 0.00 H new ATOM 1319 N ARG A 82 8.923 3.595 0.381 1.00 0.00 N ATOM 1320 CA ARG A 82 9.666 2.804 1.350 1.00 0.00 C ATOM 1321 C ARG A 82 9.229 1.342 1.282 1.00 0.00 C ATOM 1322 O ARG A 82 10.057 0.432 1.241 1.00 0.00 O ATOM 1323 CB ARG A 82 9.455 3.363 2.760 1.00 0.00 C ATOM 1324 CG ARG A 82 10.737 3.740 3.472 1.00 0.00 C ATOM 1325 CD ARG A 82 11.628 4.624 2.609 1.00 0.00 C ATOM 1326 NE ARG A 82 11.990 5.870 3.288 1.00 0.00 N ATOM 1327 CZ ARG A 82 12.909 5.956 4.235 1.00 0.00 C ATOM 1328 NH1 ARG A 82 13.572 4.878 4.631 1.00 0.00 N ATOM 1329 NH2 ARG A 82 13.167 7.126 4.807 1.00 0.00 N ATOM 0 H ARG A 82 8.359 4.345 0.780 1.00 0.00 H new ATOM 0 HA ARG A 82 10.728 2.859 1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.814 4.242 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 82 8.924 2.622 3.358 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.498 4.261 4.399 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.280 2.835 3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 82 12.534 4.078 2.346 1.00 0.00 H new ATOM 0 HD3 ARG A 82 11.114 4.856 1.676 1.00 0.00 H new ATOM 0 HE ARG A 82 11.504 6.724 3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.375 3.973 4.204 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.279 4.954 5.362 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.656 7.960 4.516 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.876 7.191 5.537 1.00 0.00 H new ATOM 1343 N GLU A 83 7.916 1.127 1.258 1.00 0.00 N ATOM 1344 CA GLU A 83 7.370 -0.141 1.195 1.00 0.00 C ATOM 1345 C GLU A 83 7.431 -0.655 -0.161 1.00 0.00 C ATOM 1346 O GLU A 83 7.574 -1.858 -0.384 1.00 0.00 O ATOM 1347 CB GLU A 83 5.928 -0.153 1.703 1.00 0.00 C ATOM 1348 CG GLU A 83 5.769 0.311 3.113 1.00 0.00 C ATOM 1349 CD GLU A 83 4.324 0.339 3.562 1.00 0.00 C ATOM 1350 OE1 GLU A 83 3.659 1.373 3.368 1.00 0.00 O ATOM 1351 OE2 GLU A 83 3.854 -0.601 4.119 1.00 0.00 O ATOM 0 H GLU A 83 7.223 1.875 1.284 1.00 0.00 H new ATOM 0 HA GLU A 83 7.960 -0.789 1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.321 0.479 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.534 -1.166 1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.337 -0.345 3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.195 1.309 3.212 1.00 0.00 H new ATOM 1358 N LEU A 84 7.304 0.177 -1.099 1.00 0.00 N ATOM 1359 CA LEU A 84 7.331 -0.090 -2.505 1.00 0.00 C ATOM 1360 C LEU A 84 8.749 -0.433 -2.944 1.00 0.00 C ATOM 1361 O LEU A 84 8.946 -1.217 -3.883 1.00 0.00 O ATOM 1362 CB LEU A 84 6.776 0.979 -3.344 1.00 0.00 C ATOM 1363 CG LEU A 84 5.253 1.122 -3.338 1.00 0.00 C ATOM 1364 CD1 LEU A 84 4.641 0.272 -4.430 1.00 0.00 C ATOM 1365 CD2 LEU A 84 4.670 0.743 -1.979 1.00 0.00 C ATOM 0 H LEU A 84 7.163 1.169 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 84 6.670 -0.944 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.210 1.926 -3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.100 0.811 -4.371 1.00 0.00 H new ATOM 0 HG LEU A 84 5.011 2.168 -3.528 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.557 0.384 -4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.024 0.593 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.900 -0.774 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.586 0.854 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.923 -0.292 -1.750 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.084 1.396 -1.211 1.00 0.00 H new ATOM 1377 N THR A 85 9.737 0.056 -2.256 1.00 0.00 N ATOM 1378 CA THR A 85 11.134 -0.157 -2.574 1.00 0.00 C ATOM 1379 C THR A 85 11.508 -1.532 -2.049 1.00 0.00 C ATOM 1380 O THR A 85 12.296 -2.250 -2.668 1.00 0.00 O ATOM 1381 CB THR A 85 12.056 0.835 -1.985 1.00 0.00 C ATOM 1382 OG1 THR A 85 13.383 0.666 -2.440 1.00 0.00 O ATOM 1383 CG2 THR A 85 12.088 0.851 -0.467 1.00 0.00 C ATOM 0 H THR A 85 9.597 0.635 -1.428 1.00 0.00 H new ATOM 0 HA THR A 85 11.239 -0.060 -3.655 1.00 0.00 H new ATOM 0 HB THR A 85 11.647 1.786 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 85 13.959 1.343 -2.027 1.00 0.00 H new ATOM 0 HG21 THR A 85 12.792 1.610 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.093 1.081 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 85 12.401 -0.126 -0.099 1.00 0.00 H new ATOM 1391 N ALA A 86 10.925 -1.898 -0.916 1.00 0.00 N ATOM 1392 CA ALA A 86 11.180 -3.198 -0.313 1.00 0.00 C ATOM 1393 C ALA A 86 10.370 -4.284 -1.016 1.00 0.00 C ATOM 1394 O ALA A 86 10.809 -5.431 -1.111 1.00 0.00 O ATOM 1395 CB ALA A 86 10.841 -3.161 1.096 1.00 0.00 C ATOM 0 H ALA A 86 10.272 -1.312 -0.396 1.00 0.00 H new ATOM 0 HA ALA A 86 12.239 -3.431 -0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.034 -4.137 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.448 -2.407 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.786 -2.912 1.210 1.00 0.00 H new ATOM 1401 N LYS A 87 9.196 -3.911 -1.512 1.00 0.00 N ATOM 1402 CA LYS A 87 8.334 -4.848 -2.215 1.00 0.00 C ATOM 1403 C LYS A 87 7.659 -4.160 -3.401 1.00 0.00 C ATOM 1404 O LYS A 87 7.333 -2.977 -3.344 1.00 0.00 O ATOM 1405 CB LYS A 87 7.267 -5.411 -1.265 1.00 0.00 C ATOM 1406 CG LYS A 87 6.962 -6.883 -1.506 1.00 0.00 C ATOM 1407 CD LYS A 87 8.176 -7.752 -1.232 1.00 0.00 C ATOM 1408 CE LYS A 87 7.784 -9.216 -1.047 1.00 0.00 C ATOM 1409 NZ LYS A 87 8.791 -10.140 -1.633 1.00 0.00 N ATOM 0 H LYS A 87 8.821 -2.965 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 87 8.948 -5.670 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.601 -5.280 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.349 -4.834 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.137 -7.195 -0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.636 -7.025 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.882 -7.665 -2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.686 -7.395 -0.338 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.671 -9.430 0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.815 -9.394 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.487 -11.124 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.881 -9.954 -2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.711 -9.989 -1.171 1.00 0.00 H new ATOM 1423 N TYR A 88 7.464 -4.912 -4.483 1.00 0.00 N ATOM 1424 CA TYR A 88 6.830 -4.382 -5.695 1.00 0.00 C ATOM 1425 C TYR A 88 7.822 -3.543 -6.501 1.00 0.00 C ATOM 1426 O TYR A 88 7.458 -2.923 -7.506 1.00 0.00 O ATOM 1427 CB TYR A 88 5.600 -3.535 -5.349 1.00 0.00 C ATOM 1428 CG TYR A 88 4.783 -4.092 -4.205 1.00 0.00 C ATOM 1429 CD1 TYR A 88 4.239 -5.368 -4.273 1.00 0.00 C ATOM 1430 CD2 TYR A 88 4.556 -3.343 -3.061 1.00 0.00 C ATOM 1431 CE1 TYR A 88 3.490 -5.889 -3.229 1.00 0.00 C ATOM 1432 CE2 TYR A 88 3.810 -3.850 -2.011 1.00 0.00 C ATOM 1433 CZ TYR A 88 3.279 -5.115 -2.103 1.00 0.00 C ATOM 1434 OH TYR A 88 2.533 -5.629 -1.059 1.00 0.00 O ATOM 0 H TYR A 88 7.736 -5.893 -4.548 1.00 0.00 H new ATOM 0 HA TYR A 88 6.510 -5.232 -6.298 1.00 0.00 H new ATOM 0 HB2 TYR A 88 5.924 -2.526 -5.095 1.00 0.00 H new ATOM 0 HB3 TYR A 88 4.966 -3.454 -6.232 1.00 0.00 H new ATOM 0 HD1 TYR A 88 4.403 -5.967 -5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.968 -2.347 -2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.077 -6.885 -3.294 1.00 0.00 H new ATOM 0 HE2 TYR A 88 3.646 -3.255 -1.125 1.00 0.00 H new ATOM 0 HH TYR A 88 2.476 -4.965 -0.340 1.00 0.00 H new ATOM 1444 N ASP A 89 9.084 -3.525 -6.069 1.00 0.00 N ATOM 1445 CA ASP A 89 10.122 -2.766 -6.753 1.00 0.00 C ATOM 1446 C ASP A 89 10.467 -3.397 -8.103 1.00 0.00 C ATOM 1447 O ASP A 89 10.309 -2.759 -9.147 1.00 0.00 O ATOM 1448 CB ASP A 89 11.382 -2.672 -5.884 1.00 0.00 C ATOM 1449 CG ASP A 89 11.909 -1.258 -5.775 1.00 0.00 C ATOM 1450 OD1 ASP A 89 11.099 -0.313 -5.888 1.00 0.00 O ATOM 1451 OD2 ASP A 89 13.127 -1.095 -5.584 1.00 0.00 O ATOM 0 H ASP A 89 9.409 -4.031 -5.245 1.00 0.00 H new ATOM 0 HA ASP A 89 9.737 -1.762 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.160 -3.051 -4.886 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.157 -3.313 -6.304 1.00 0.00 H new ATOM 1456 N PRO A 90 10.950 -4.651 -8.107 1.00 0.00 N ATOM 1457 CA PRO A 90 11.311 -5.356 -9.339 1.00 0.00 C ATOM 1458 C PRO A 90 10.220 -5.294 -10.392 1.00 0.00 C ATOM 1459 O PRO A 90 10.492 -5.254 -11.596 1.00 0.00 O ATOM 1460 CB PRO A 90 11.560 -6.801 -8.888 1.00 0.00 C ATOM 1461 CG PRO A 90 11.064 -6.877 -7.487 1.00 0.00 C ATOM 1462 CD PRO A 90 11.188 -5.491 -6.923 1.00 0.00 C ATOM 0 HA PRO A 90 12.180 -4.902 -9.816 1.00 0.00 H new ATOM 0 HB2 PRO A 90 11.033 -7.508 -9.529 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.620 -7.051 -8.942 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.029 -7.218 -7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 90 11.650 -7.588 -6.905 1.00 0.00 H new ATOM 0 HD2 PRO A 90 10.456 -5.304 -6.137 1.00 0.00 H new ATOM 0 HD3 PRO A 90 12.172 -5.314 -6.490 1.00 0.00 H new ATOM 1470 N THR A 91 8.968 -5.289 -9.942 1.00 0.00 N ATOM 1471 CA THR A 91 7.829 -5.230 -10.852 1.00 0.00 C ATOM 1472 C THR A 91 7.056 -3.915 -10.669 1.00 0.00 C ATOM 1473 O THR A 91 7.356 -2.920 -11.332 1.00 0.00 O ATOM 1474 CB THR A 91 6.910 -6.444 -10.646 1.00 0.00 C ATOM 1475 OG1 THR A 91 5.574 -6.131 -11.004 1.00 0.00 O ATOM 1476 CG2 THR A 91 6.892 -6.963 -9.221 1.00 0.00 C ATOM 0 H THR A 91 8.717 -5.325 -8.954 1.00 0.00 H new ATOM 0 HA THR A 91 8.203 -5.260 -11.875 1.00 0.00 H new ATOM 0 HB THR A 91 7.324 -7.221 -11.289 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.175 -6.892 -11.475 1.00 0.00 H new ATOM 0 HG21 THR A 91 6.221 -7.820 -9.154 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.898 -7.266 -8.932 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.543 -6.176 -8.552 1.00 0.00 H new ATOM 1484 N GLY A 92 6.069 -3.922 -9.778 1.00 0.00 N ATOM 1485 CA GLY A 92 5.284 -2.719 -9.525 1.00 0.00 C ATOM 1486 C GLY A 92 4.856 -2.017 -10.800 1.00 0.00 C ATOM 1487 O GLY A 92 5.106 -0.821 -10.972 1.00 0.00 O ATOM 0 H GLY A 92 5.796 -4.735 -9.226 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.399 -2.983 -8.947 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.869 -2.030 -8.915 1.00 0.00 H new ATOM 1491 N ASN A 93 4.196 -2.753 -11.694 1.00 0.00 N ATOM 1492 CA ASN A 93 3.735 -2.184 -12.954 1.00 0.00 C ATOM 1493 C ASN A 93 2.796 -1.003 -12.712 1.00 0.00 C ATOM 1494 O ASN A 93 2.629 -0.147 -13.570 1.00 0.00 O ATOM 1495 CB ASN A 93 3.024 -3.247 -13.792 1.00 0.00 C ATOM 1496 CG ASN A 93 3.352 -3.137 -15.269 1.00 0.00 C ATOM 1497 OD1 ASN A 93 4.318 -3.724 -15.746 1.00 0.00 O ATOM 1498 ND2 ASN A 93 2.538 -2.379 -15.995 1.00 0.00 N ATOM 0 H ASN A 93 3.971 -3.740 -11.567 1.00 0.00 H new ATOM 0 HA ASN A 93 4.609 -1.826 -13.498 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.306 -4.237 -13.433 1.00 0.00 H new ATOM 0 HB3 ASN A 93 1.947 -3.153 -13.654 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.704 -2.265 -16.995 1.00 0.00 H new ATOM 0 HD22 ASN A 93 1.747 -1.911 -15.553 1.00 0.00 H new ATOM 1505 N TRP A 94 2.198 -0.963 -11.523 1.00 0.00 N ATOM 1506 CA TRP A 94 1.291 0.067 -11.156 1.00 0.00 C ATOM 1507 C TRP A 94 2.016 1.062 -10.300 1.00 0.00 C ATOM 1508 O TRP A 94 1.830 2.271 -10.455 1.00 0.00 O ATOM 1509 CB TRP A 94 0.082 -0.415 -10.398 1.00 0.00 C ATOM 1510 CG TRP A 94 -0.099 -1.897 -10.542 1.00 0.00 C ATOM 1511 CD1 TRP A 94 0.550 -2.892 -9.935 1.00 0.00 C ATOM 1512 CD2 TRP A 94 -1.084 -2.525 -11.332 1.00 0.00 C ATOM 1513 NE1 TRP A 94 0.053 -4.117 -10.311 1.00 0.00 N ATOM 1514 CE2 TRP A 94 -0.926 -3.919 -11.164 1.00 0.00 C ATOM 1515 CE3 TRP A 94 -2.103 -2.058 -12.164 1.00 0.00 C ATOM 1516 CZ2 TRP A 94 -1.757 -4.836 -11.800 1.00 0.00 C ATOM 1517 CZ3 TRP A 94 -2.923 -2.973 -12.790 1.00 0.00 C ATOM 1518 CH2 TRP A 94 -2.745 -4.352 -12.609 1.00 0.00 C ATOM 0 H TRP A 94 2.346 -1.663 -10.796 1.00 0.00 H new ATOM 0 HA TRP A 94 0.927 0.502 -12.087 1.00 0.00 H new ATOM 0 HB2 TRP A 94 0.187 -0.160 -9.343 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.807 0.099 -10.763 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.362 -2.753 -9.237 1.00 0.00 H new ATOM 0 HE1 TRP A 94 0.387 -5.024 -9.984 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -2.247 -0.998 -12.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -1.625 -5.898 -11.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -3.717 -2.621 -13.432 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.400 -5.043 -13.118 1.00 0.00 H new ATOM 1529 N ARG A 95 2.851 0.571 -9.391 1.00 0.00 N ATOM 1530 CA ARG A 95 3.609 1.415 -8.488 1.00 0.00 C ATOM 1531 C ARG A 95 4.404 2.457 -9.266 1.00 0.00 C ATOM 1532 O ARG A 95 4.648 3.567 -8.769 1.00 0.00 O ATOM 1533 CB ARG A 95 4.567 0.572 -7.629 1.00 0.00 C ATOM 1534 CG ARG A 95 3.969 -0.671 -7.172 1.00 0.00 C ATOM 1535 CD ARG A 95 2.580 -0.490 -6.570 1.00 0.00 C ATOM 1536 NE ARG A 95 2.378 -1.328 -5.391 1.00 0.00 N ATOM 1537 CZ ARG A 95 2.196 -2.644 -5.444 1.00 0.00 C ATOM 1538 NH1 ARG A 95 2.188 -3.271 -6.617 1.00 0.00 N ATOM 1539 NH2 ARG A 95 2.014 -3.332 -4.326 1.00 0.00 N ATOM 0 H ARG A 95 3.018 -0.427 -9.263 1.00 0.00 H new ATOM 0 HA ARG A 95 2.901 1.923 -7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.463 0.347 -8.207 1.00 0.00 H new ATOM 0 HB3 ARG A 95 4.883 1.157 -6.765 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.906 -1.365 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.622 -1.128 -6.429 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.436 0.556 -6.299 1.00 0.00 H new ATOM 0 HD3 ARG A 95 1.826 -0.732 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 95 2.376 -0.878 -4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.322 -2.742 -7.479 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.048 -4.281 -6.655 1.00 0.00 H new ATOM 0 HH21 ARG A 95 2.014 -2.852 -3.426 1.00 0.00 H new ATOM 0 HH22 ARG A 95 1.874 -4.342 -4.365 1.00 0.00 H new ATOM 1553 N LYS A 96 4.802 2.120 -10.486 1.00 0.00 N ATOM 1554 CA LYS A 96 5.568 3.038 -11.320 1.00 0.00 C ATOM 1555 C LYS A 96 4.760 4.298 -11.608 1.00 0.00 C ATOM 1556 O LYS A 96 5.317 5.397 -11.661 1.00 0.00 O ATOM 1557 CB LYS A 96 5.960 2.356 -12.635 1.00 0.00 C ATOM 1558 CG LYS A 96 7.064 3.079 -13.384 1.00 0.00 C ATOM 1559 CD LYS A 96 7.945 2.107 -14.154 1.00 0.00 C ATOM 1560 CE LYS A 96 9.126 2.816 -14.800 1.00 0.00 C ATOM 1561 NZ LYS A 96 9.603 2.099 -16.017 1.00 0.00 N ATOM 0 H LYS A 96 4.607 1.218 -10.920 1.00 0.00 H new ATOM 0 HA LYS A 96 6.473 3.319 -10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 96 6.282 1.336 -12.425 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.081 2.287 -13.276 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.625 3.799 -14.075 1.00 0.00 H new ATOM 0 HG3 LYS A 96 7.674 3.644 -12.679 1.00 0.00 H new ATOM 0 HD2 LYS A 96 8.309 1.332 -13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.354 1.609 -14.922 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.838 3.833 -15.067 1.00 0.00 H new ATOM 0 HE3 LYS A 96 9.941 2.894 -14.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.408 2.612 -16.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.901 1.137 -15.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 8.833 2.047 -16.714 1.00 0.00 H new ATOM 1575 N LYS A 97 3.450 4.139 -11.777 1.00 0.00 N ATOM 1576 CA LYS A 97 2.580 5.266 -12.043 1.00 0.00 C ATOM 1577 C LYS A 97 2.501 6.172 -10.820 1.00 0.00 C ATOM 1578 O LYS A 97 2.550 7.398 -10.929 1.00 0.00 O ATOM 1579 CB LYS A 97 1.185 4.783 -12.449 1.00 0.00 C ATOM 1580 CG LYS A 97 0.110 5.834 -12.299 1.00 0.00 C ATOM 1581 CD LYS A 97 -1.083 5.436 -13.048 1.00 0.00 C ATOM 1582 CE LYS A 97 -2.014 6.622 -13.247 1.00 0.00 C ATOM 1583 NZ LYS A 97 -1.590 7.471 -14.391 1.00 0.00 N ATOM 0 H LYS A 97 2.974 3.238 -11.733 1.00 0.00 H new ATOM 0 HA LYS A 97 2.996 5.839 -12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 97 1.213 4.451 -13.487 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.920 3.916 -11.844 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.138 5.965 -11.246 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.475 6.795 -12.663 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.792 5.030 -14.017 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.606 4.643 -12.514 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.029 6.263 -13.418 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.037 7.223 -12.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.249 8.269 -14.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.631 7.835 -14.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.592 6.905 -15.263 1.00 0.00 H new ATOM 1597 N TYR A 98 2.374 5.551 -9.650 1.00 0.00 N ATOM 1598 CA TYR A 98 2.286 6.300 -8.407 1.00 0.00 C ATOM 1599 C TYR A 98 3.647 6.884 -8.029 1.00 0.00 C ATOM 1600 O TYR A 98 3.723 7.859 -7.278 1.00 0.00 O ATOM 1601 CB TYR A 98 1.741 5.410 -7.285 1.00 0.00 C ATOM 1602 CG TYR A 98 0.438 5.908 -6.719 1.00 0.00 C ATOM 1603 CD1 TYR A 98 0.170 7.261 -6.631 1.00 0.00 C ATOM 1604 CD2 TYR A 98 -0.445 5.003 -6.282 1.00 0.00 C ATOM 1605 CE1 TYR A 98 -0.959 7.710 -6.122 1.00 0.00 C ATOM 1606 CE2 TYR A 98 -1.645 5.443 -5.769 1.00 0.00 C ATOM 1607 CZ TYR A 98 -1.903 6.796 -5.690 1.00 0.00 C ATOM 1608 OH TYR A 98 -3.097 7.238 -5.182 1.00 0.00 O ATOM 0 H TYR A 98 2.330 4.538 -9.540 1.00 0.00 H new ATOM 0 HA TYR A 98 1.594 7.130 -8.552 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.602 4.398 -7.666 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.479 5.350 -6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.904 7.968 -6.988 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -0.221 3.948 -6.331 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.144 8.771 -6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -2.382 4.731 -5.429 1.00 0.00 H new ATOM 0 HH TYR A 98 -3.779 7.220 -5.886 1.00 0.00 H new ATOM 1618 N GLU A 99 4.719 6.293 -8.555 1.00 0.00 N ATOM 1619 CA GLU A 99 6.056 6.778 -8.274 1.00 0.00 C ATOM 1620 C GLU A 99 6.434 7.908 -9.220 1.00 0.00 C ATOM 1621 O GLU A 99 7.193 8.811 -8.855 1.00 0.00 O ATOM 1622 CB GLU A 99 7.059 5.626 -8.371 1.00 0.00 C ATOM 1623 CG GLU A 99 8.507 6.075 -8.453 1.00 0.00 C ATOM 1624 CD GLU A 99 9.488 4.954 -8.168 1.00 0.00 C ATOM 1625 OE1 GLU A 99 9.299 4.248 -7.158 1.00 0.00 O ATOM 1626 OE2 GLU A 99 10.442 4.782 -8.956 1.00 0.00 O ATOM 0 H GLU A 99 4.682 5.483 -9.174 1.00 0.00 H new ATOM 0 HA GLU A 99 6.077 7.176 -7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 99 6.938 4.978 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 99 6.825 5.026 -9.251 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.702 6.478 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 99 8.672 6.885 -7.743 1.00 0.00 H new ATOM 1633 N ASP A 100 5.890 7.873 -10.441 1.00 0.00 N ATOM 1634 CA ASP A 100 6.170 8.907 -11.420 1.00 0.00 C ATOM 1635 C ASP A 100 5.359 10.167 -11.115 1.00 0.00 C ATOM 1636 O ASP A 100 5.813 11.285 -11.369 1.00 0.00 O ATOM 1637 CB ASP A 100 5.850 8.404 -12.825 1.00 0.00 C ATOM 1638 CG ASP A 100 6.130 9.444 -13.893 1.00 0.00 C ATOM 1639 OD1 ASP A 100 7.270 9.938 -13.952 1.00 0.00 O ATOM 1640 OD2 ASP A 100 5.202 9.757 -14.667 1.00 0.00 O ATOM 0 H ASP A 100 5.258 7.141 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 100 7.230 9.155 -11.367 1.00 0.00 H new ATOM 0 HB2 ASP A 100 6.439 7.510 -13.030 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.801 8.113 -12.873 1.00 0.00 H new ATOM 1645 N ARG A 101 4.164 9.971 -10.567 1.00 0.00 N ATOM 1646 CA ARG A 101 3.293 11.079 -10.219 1.00 0.00 C ATOM 1647 C ARG A 101 3.931 11.969 -9.162 1.00 0.00 C ATOM 1648 O ARG A 101 3.996 13.193 -9.318 1.00 0.00 O ATOM 1649 CB ARG A 101 1.950 10.558 -9.718 1.00 0.00 C ATOM 1650 CG ARG A 101 0.783 11.323 -10.287 1.00 0.00 C ATOM 1651 CD ARG A 101 -0.240 11.543 -9.244 1.00 0.00 C ATOM 1652 NE ARG A 101 -1.106 12.653 -9.600 1.00 0.00 N ATOM 1653 CZ ARG A 101 -2.295 12.863 -9.037 1.00 0.00 C ATOM 1654 NH1 ARG A 101 -2.744 12.049 -8.091 1.00 0.00 N ATOM 1655 NH2 ARG A 101 -3.030 13.896 -9.418 1.00 0.00 N ATOM 0 H ARG A 101 3.779 9.050 -10.355 1.00 0.00 H new ATOM 0 HA ARG A 101 3.134 11.675 -11.117 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.852 9.505 -9.981 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.924 10.619 -8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.124 12.281 -10.680 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.349 10.772 -11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.834 10.639 -9.114 1.00 0.00 H new ATOM 0 HD3 ARG A 101 0.245 11.745 -8.289 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.788 13.305 -10.317 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.178 11.256 -7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.655 12.216 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -2.686 14.528 -10.141 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.941 14.060 -8.989 1.00 0.00 H new ATOM 1669 N ALA A 102 4.403 11.344 -8.093 1.00 0.00 N ATOM 1670 CA ALA A 102 5.038 12.076 -7.008 1.00 0.00 C ATOM 1671 C ALA A 102 6.174 12.955 -7.521 1.00 0.00 C ATOM 1672 O ALA A 102 6.595 13.895 -6.852 1.00 0.00 O ATOM 1673 CB ALA A 102 5.559 11.103 -5.958 1.00 0.00 C ATOM 0 H ALA A 102 4.358 10.334 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 102 4.290 12.727 -6.556 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.033 11.660 -5.149 1.00 0.00 H new ATOM 0 HB2 ALA A 102 4.729 10.519 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.288 10.433 -6.413 1.00 0.00 H new ATOM 1679 N LYS A 103 6.648 12.654 -8.730 1.00 0.00 N ATOM 1680 CA LYS A 103 7.719 13.435 -9.329 1.00 0.00 C ATOM 1681 C LYS A 103 7.164 14.731 -9.909 1.00 0.00 C ATOM 1682 O LYS A 103 7.710 15.810 -9.679 1.00 0.00 O ATOM 1683 CB LYS A 103 8.431 12.626 -10.422 1.00 0.00 C ATOM 1684 CG LYS A 103 9.857 12.242 -10.066 1.00 0.00 C ATOM 1685 CD LYS A 103 10.749 12.227 -11.291 1.00 0.00 C ATOM 1686 CE LYS A 103 11.857 11.192 -11.159 1.00 0.00 C ATOM 1687 NZ LYS A 103 11.361 9.813 -11.429 1.00 0.00 N ATOM 0 H LYS A 103 6.309 11.883 -9.305 1.00 0.00 H new ATOM 0 HA LYS A 103 8.445 13.679 -8.553 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.859 11.720 -10.622 1.00 0.00 H new ATOM 0 HB3 LYS A 103 8.440 13.207 -11.344 1.00 0.00 H new ATOM 0 HG2 LYS A 103 10.253 12.946 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.864 11.258 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.151 12.011 -12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 103 11.187 13.215 -11.436 1.00 0.00 H new ATOM 0 HE2 LYS A 103 12.662 11.431 -11.854 1.00 0.00 H new ATOM 0 HE3 LYS A 103 12.278 11.237 -10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.145 9.137 -11.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.610 9.575 -10.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.982 9.764 -12.396 1.00 0.00 H new ATOM 1701 N ALA A 104 6.073 14.614 -10.644 1.00 0.00 N ATOM 1702 CA ALA A 104 5.429 15.779 -11.239 1.00 0.00 C ATOM 1703 C ALA A 104 4.849 16.678 -10.159 1.00 0.00 C ATOM 1704 O ALA A 104 4.761 17.897 -10.323 1.00 0.00 O ATOM 1705 CB ALA A 104 4.350 15.349 -12.210 1.00 0.00 C ATOM 0 H ALA A 104 5.612 13.727 -10.845 1.00 0.00 H new ATOM 0 HA ALA A 104 6.181 16.345 -11.789 1.00 0.00 H new ATOM 0 HB1 ALA A 104 3.880 16.231 -12.645 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.793 14.746 -13.003 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.599 14.760 -11.683 1.00 0.00 H new ATOM 1711 N ALA A 105 4.448 16.067 -9.045 1.00 0.00 N ATOM 1712 CA ALA A 105 3.881 16.805 -7.927 1.00 0.00 C ATOM 1713 C ALA A 105 4.963 17.436 -7.061 1.00 0.00 C ATOM 1714 O ALA A 105 4.884 18.614 -6.718 1.00 0.00 O ATOM 1715 CB ALA A 105 2.996 15.891 -7.092 1.00 0.00 C ATOM 0 H ALA A 105 4.507 15.060 -8.897 1.00 0.00 H new ATOM 0 HA ALA A 105 3.275 17.615 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.577 16.453 -6.258 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.187 15.503 -7.711 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.589 15.061 -6.708 1.00 0.00 H new ATOM 1721 N GLY A 106 5.972 16.641 -6.714 1.00 0.00 N ATOM 1722 CA GLY A 106 7.055 17.141 -5.888 1.00 0.00 C ATOM 1723 C GLY A 106 7.482 16.149 -4.822 1.00 0.00 C ATOM 1724 O GLY A 106 8.663 15.955 -4.572 1.00 0.00 O ATOM 0 H GLY A 106 6.058 15.663 -6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 106 7.910 17.379 -6.521 1.00 0.00 H new ATOM 0 HA3 GLY A 106 6.744 18.070 -5.411 1.00 0.00 H new ATOM 1728 N ILE A 107 6.493 15.519 -4.188 1.00 0.00 N ATOM 1729 CA ILE A 107 6.747 14.534 -3.151 1.00 0.00 C ATOM 1730 C ILE A 107 7.580 13.371 -3.684 1.00 0.00 C ATOM 1731 O ILE A 107 7.306 12.828 -4.755 1.00 0.00 O ATOM 1732 CB ILE A 107 5.422 13.991 -2.574 1.00 0.00 C ATOM 1733 CG1 ILE A 107 5.687 12.878 -1.557 1.00 0.00 C ATOM 1734 CG2 ILE A 107 4.518 13.501 -3.692 1.00 0.00 C ATOM 1735 CD1 ILE A 107 6.177 13.382 -0.228 1.00 0.00 C ATOM 0 H ILE A 107 5.504 15.679 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 107 7.306 15.034 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 107 4.914 14.804 -2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 107 4.769 12.310 -1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 107 6.424 12.189 -1.969 1.00 0.00 H new ATOM 0 HG21 ILE A 107 3.588 13.121 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 107 4.298 14.326 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 107 5.018 12.704 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.343 12.539 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.112 13.925 -0.367 1.00 0.00 H new ATOM 0 HD13 ILE A 107 5.431 14.048 0.206 1.00 0.00 H new ATOM 1747 N VAL A 108 8.597 12.979 -2.928 1.00 0.00 N ATOM 1748 CA VAL A 108 9.467 11.875 -3.309 1.00 0.00 C ATOM 1749 C VAL A 108 10.110 11.252 -2.078 1.00 0.00 C ATOM 1750 O VAL A 108 10.225 11.887 -1.038 1.00 0.00 O ATOM 1751 CB VAL A 108 10.568 12.317 -4.285 1.00 0.00 C ATOM 1752 CG1 VAL A 108 11.338 11.110 -4.804 1.00 0.00 C ATOM 1753 CG2 VAL A 108 9.968 13.103 -5.445 1.00 0.00 C ATOM 0 H VAL A 108 8.841 13.415 -2.039 1.00 0.00 H new ATOM 0 HA VAL A 108 8.840 11.139 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 108 11.262 12.965 -3.750 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.114 11.442 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.798 10.584 -3.967 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.654 10.438 -5.323 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.762 13.408 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 108 9.253 12.476 -5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 108 9.459 13.987 -5.061 1.00 0.00 H new ATOM 1763 N ILE A 109 10.522 9.989 -2.207 1.00 0.00 N ATOM 1764 CA ILE A 109 11.141 9.282 -1.102 1.00 0.00 C ATOM 1765 C ILE A 109 12.291 10.092 -0.499 1.00 0.00 C ATOM 1766 O ILE A 109 13.005 10.791 -1.216 1.00 0.00 O ATOM 1767 CB ILE A 109 11.653 7.884 -1.527 1.00 0.00 C ATOM 1768 CG1 ILE A 109 11.709 6.943 -0.323 1.00 0.00 C ATOM 1769 CG2 ILE A 109 13.014 7.974 -2.207 1.00 0.00 C ATOM 1770 CD1 ILE A 109 10.382 6.806 0.314 1.00 0.00 C ATOM 0 H ILE A 109 10.435 9.443 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 109 10.368 9.148 -0.345 1.00 0.00 H new ATOM 0 HB ILE A 109 10.948 7.476 -2.252 1.00 0.00 H new ATOM 0 HG12 ILE A 109 12.065 5.963 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 109 12.427 7.322 0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 109 13.345 6.975 -2.493 1.00 0.00 H new ATOM 0 HG22 ILE A 109 12.936 8.599 -3.097 1.00 0.00 H new ATOM 0 HG23 ILE A 109 13.736 8.412 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 109 10.456 6.131 1.166 1.00 0.00 H new ATOM 0 HD12 ILE A 109 10.039 7.783 0.654 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.672 6.403 -0.408 1.00 0.00 H new ATOM 1782 N PRO A 110 12.477 10.036 0.754 1.00 0.00 N ATOM 1783 CA PRO A 110 13.525 10.786 1.429 1.00 0.00 C ATOM 1784 C PRO A 110 14.883 10.099 1.334 1.00 0.00 C ATOM 1785 O PRO A 110 15.574 9.936 2.342 1.00 0.00 O ATOM 1786 CB PRO A 110 13.049 10.850 2.894 1.00 0.00 C ATOM 1787 CG PRO A 110 11.728 10.136 2.932 1.00 0.00 C ATOM 1788 CD PRO A 110 11.688 9.256 1.707 1.00 0.00 C ATOM 0 HA PRO A 110 13.672 11.768 0.979 1.00 0.00 H new ATOM 0 HB2 PRO A 110 13.769 10.374 3.559 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.944 11.883 3.225 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.633 9.542 3.841 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.901 10.847 2.928 1.00 0.00 H new ATOM 0 HD2 PRO A 110 12.125 8.275 1.894 1.00 0.00 H new ATOM 0 HD3 PRO A 110 10.670 9.090 1.356 1.00 0.00 H new ATOM 1796 N GLU A 111 15.254 9.692 0.142 1.00 0.00 N ATOM 1797 CA GLU A 111 16.524 9.024 -0.032 1.00 0.00 C ATOM 1798 C GLU A 111 17.663 10.036 -0.151 1.00 0.00 C ATOM 1799 O GLU A 111 18.349 10.097 -1.162 1.00 0.00 O ATOM 1800 CB GLU A 111 16.443 8.164 -1.271 1.00 0.00 C ATOM 1801 CG GLU A 111 15.609 6.907 -1.089 1.00 0.00 C ATOM 1802 CD GLU A 111 16.399 5.767 -0.467 1.00 0.00 C ATOM 1803 OE1 GLU A 111 16.481 5.717 0.693 1.00 0.00 O ATOM 1804 OE2 GLU A 111 16.931 4.932 -1.223 1.00 0.00 O ATOM 0 H GLU A 111 14.705 9.809 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 111 16.733 8.403 0.839 1.00 0.00 H new ATOM 0 HB2 GLU A 111 16.022 8.754 -2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 111 17.451 7.880 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.749 7.134 -0.459 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.221 6.590 -2.057 1.00 0.00 H new ATOM 1811 N GLU A 112 17.859 10.825 0.827 1.00 0.00 N ATOM 1812 CA GLU A 112 18.906 11.838 0.842 1.00 0.00 C ATOM 1813 C GLU A 112 20.282 11.188 0.673 1.00 0.00 C ATOM 1814 O GLU A 112 21.154 11.820 0.052 1.00 0.00 O ATOM 1815 CB GLU A 112 18.864 12.633 2.142 1.00 0.00 C ATOM 1816 CG GLU A 112 18.864 14.142 1.933 1.00 0.00 C ATOM 1817 CD GLU A 112 19.630 14.878 3.009 1.00 0.00 C ATOM 1818 OE1 GLU A 112 20.803 14.515 3.259 1.00 0.00 O ATOM 1819 OE2 GLU A 112 19.058 15.814 3.611 1.00 0.00 O ATOM 1820 OXT GLU A 112 20.476 10.067 1.166 1.00 0.00 O ATOM 0 H GLU A 112 17.296 10.808 1.677 1.00 0.00 H new ATOM 0 HA GLU A 112 18.732 12.519 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 112 17.972 12.352 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 112 19.724 12.359 2.754 1.00 0.00 H new ATOM 0 HG2 GLU A 112 19.300 14.370 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.835 14.502 1.913 1.00 0.00 H new TER 1827 GLU A 112