USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 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 NoAdj-H: B 204 PTR HN2 : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 88 TYR OH : rot 28:sc= -0.958! USER MOD Set 1.2: A 108 MET CE :methyl 148:sc= -20.4! (180deg=-23.6!) USER MOD Set 2.1: A 73 THR OG1 : rot 140:sc= -0.6! USER MOD Set 2.2: A 92 SER OG : rot -101:sc= -0.496 USER MOD Set 2.3: A 98 SER OG : rot 89:sc= 1.17 USER MOD Set 3.1: A 34 ASN : amide:sc= -0.445 K(o=0.56,f=-8!) USER MOD Set 3.2: A 37 THR OG1 : rot -149:sc= 1 USER MOD Set 4.1: A 11 GLN :FLIP amide:sc= -2.61 F(o=-4.2,f=-3.3) USER MOD Set 4.2: A 26 LYS NZ :NH3+ 143:sc= -0.148 (180deg=-2.47!) USER MOD Set 4.3: A 30 ASN :FLIP amide:sc= -0.542 F(o=-4.2!,f=-3.3) USER MOD Set 5.1: A 2 ASN : amide:sc= -7.06! C(o=-9.1!,f=-9.1!) USER MOD Set 5.2: A 62 HIS : no HD1:sc= -2.03 K(o=-9.1,f=-11!) USER MOD Set 6.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 58 THR OG1 : rot 69:sc= 0.193 USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.107 (180deg=-0.328) USER MOD Single : A 4 SER OG : rot -108:sc= 0.0679 USER MOD Single : A 6 SER OG : rot 108:sc= -0.0434 USER MOD Single : A 9 HIS : no HE2:sc= -4.89! C(o=-4.9!,f=-6.8!) USER MOD Single : A 13 SER OG : rot -70:sc= 0.588 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 18 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.026) USER MOD Single : A 20 SER OG : rot -29:sc= -3.25! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.0408 USER MOD Single : A 24 THR OG1 : rot 170:sc= -0.379 USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.645) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.889 X(o=-0.89,f=-0.77) USER MOD Single : A 43 THR OG1 : rot 180:sc=-0.00803 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 70:sc= -3.18 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.12 F(o=-3.2,f=-1.1) USER MOD Single : A 61 SER OG : rot 49:sc= 1.1 USER MOD Single : A 65 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.012) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.36 K(o=-1.4,f=-2.5) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 1.31 (180deg=1.21) USER MOD Single : A 78 GLN : amide:sc= -6.08! C(o=-6.1!,f=-11!) USER MOD Single : A 79 SER OG : rot 150:sc= -2.66 USER MOD Single : A 80 THR OG1 : rot 98:sc= 1.16 USER MOD Single : A 82 LYS NZ :NH3+ 148:sc= -0.23 (180deg=-0.688) USER MOD Single : A 83 HIS : no HD1:sc=-0.00483 X(o=-0.0048,f=-0.14) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.404 K(o=-0.4,f=-3!) USER MOD Single : A 87 ASN : amide:sc= -2.48 X(o=-2.5,f=-2.3) USER MOD Single : A 95 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.093) USER MOD Single : A 97 ASN :FLIP amide:sc= -1.97 F(o=-5.4!,f=-2) USER MOD Single : A 102 SER OG : rot 171:sc= 0.362 USER MOD Single : A 105 SER OG : rot -9:sc= 0.59 USER MOD Single : A 107 GLN : amide:sc= -12! C(o=-12!,f=-15!) USER MOD Single : A 109 THR OG1 : rot -96:sc= 1.35 USER MOD Single : A 111 GLN :FLIP amide:sc= -1.03 F(o=-3!,f=-1) USER MOD Single : A 114 LYS NZ :NH3+ -139:sc= -6.96! (180deg=-15!) USER MOD Single : A 123 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0.0634 USER MOD Single : A 130 SER OG : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.129 6.947 -12.359 1.00 0.00 N ATOM 2 CA MET A 1 -3.933 8.159 -12.051 1.00 0.00 C ATOM 3 C MET A 1 -3.931 8.456 -10.555 1.00 0.00 C ATOM 4 O MET A 1 -4.986 8.572 -9.930 1.00 0.00 O ATOM 5 CB MET A 1 -5.368 7.944 -12.548 1.00 0.00 C ATOM 6 CG MET A 1 -5.850 6.505 -12.439 1.00 0.00 C ATOM 7 SD MET A 1 -5.889 5.909 -10.738 1.00 0.00 S ATOM 8 CE MET A 1 -5.830 4.137 -10.999 1.00 0.00 C ATOM 0 H1 MET A 1 -3.322 6.641 -13.334 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.117 7.167 -12.259 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.384 6.184 -11.700 1.00 0.00 H new ATOM 0 HA MET A 1 -3.490 9.016 -12.558 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.039 8.586 -11.978 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.433 8.260 -13.589 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.848 6.427 -12.869 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.197 5.862 -13.030 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.847 3.627 -10.036 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.692 3.827 -11.589 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.914 3.878 -11.531 1.00 0.00 H new ATOM 20 N ASN A 2 -2.736 8.579 -9.986 1.00 0.00 N ATOM 21 CA ASN A 2 -2.591 8.864 -8.563 1.00 0.00 C ATOM 22 C ASN A 2 -1.623 10.029 -8.340 1.00 0.00 C ATOM 23 O ASN A 2 -1.403 10.842 -9.237 1.00 0.00 O ATOM 24 CB ASN A 2 -2.112 7.609 -7.820 1.00 0.00 C ATOM 25 CG ASN A 2 -0.612 7.399 -7.926 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.069 7.257 -9.022 1.00 0.00 O ATOM 27 ND2 ASN A 2 0.065 7.380 -6.784 1.00 0.00 N ATOM 0 H ASN A 2 -1.854 8.486 -10.489 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.563 9.154 -8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -2.390 7.686 -6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.626 6.736 -8.222 1.00 0.00 H new ATOM 0 HD21 ASN A 2 1.076 7.244 -6.793 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -0.426 7.502 -5.898 1.00 0.00 H new ATOM 34 N LEU A 3 -1.048 10.103 -7.142 1.00 0.00 N ATOM 35 CA LEU A 3 -0.106 11.167 -6.809 1.00 0.00 C ATOM 36 C LEU A 3 1.310 10.810 -7.265 1.00 0.00 C ATOM 37 O LEU A 3 1.771 11.268 -8.311 1.00 0.00 O ATOM 38 CB LEU A 3 -0.119 11.430 -5.300 1.00 0.00 C ATOM 39 CG LEU A 3 -1.454 11.909 -4.730 1.00 0.00 C ATOM 40 CD1 LEU A 3 -2.393 10.730 -4.508 1.00 0.00 C ATOM 41 CD2 LEU A 3 -1.232 12.673 -3.430 1.00 0.00 C ATOM 0 H LEU A 3 -1.218 9.439 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.417 12.071 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.168 10.513 -4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.643 12.175 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.917 12.583 -5.450 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.339 11.089 -4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.574 10.225 -5.457 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.939 10.031 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.192 13.008 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.749 12.021 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.596 13.538 -3.620 1.00 0.00 H new ATOM 53 N SER A 4 1.993 9.991 -6.468 1.00 0.00 N ATOM 54 CA SER A 4 3.356 9.562 -6.768 1.00 0.00 C ATOM 55 C SER A 4 3.938 8.812 -5.575 1.00 0.00 C ATOM 56 O SER A 4 3.519 9.021 -4.441 1.00 0.00 O ATOM 57 CB SER A 4 4.234 10.765 -7.125 1.00 0.00 C ATOM 58 OG SER A 4 5.519 10.670 -6.532 1.00 0.00 O ATOM 0 H SER A 4 1.619 9.608 -5.600 1.00 0.00 H new ATOM 0 HA SER A 4 3.331 8.893 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.337 10.832 -8.208 1.00 0.00 H new ATOM 0 HB3 SER A 4 3.747 11.682 -6.794 1.00 0.00 H new ATOM 0 HG SER A 4 5.591 11.320 -5.802 1.00 0.00 H new ATOM 64 N LEU A 5 4.897 7.934 -5.833 1.00 0.00 N ATOM 65 CA LEU A 5 5.517 7.149 -4.764 1.00 0.00 C ATOM 66 C LEU A 5 5.946 8.016 -3.603 1.00 0.00 C ATOM 67 O LEU A 5 5.448 7.879 -2.488 1.00 0.00 O ATOM 68 CB LEU A 5 6.729 6.390 -5.269 1.00 0.00 C ATOM 69 CG LEU A 5 6.458 5.469 -6.421 1.00 0.00 C ATOM 70 CD1 LEU A 5 7.750 5.044 -7.099 1.00 0.00 C ATOM 71 CD2 LEU A 5 5.659 4.261 -5.963 1.00 0.00 C ATOM 0 H LEU A 5 5.264 7.745 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 5 4.756 6.446 -4.424 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.492 7.109 -5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.145 5.808 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 5 5.863 6.012 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.522 4.377 -7.930 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.271 5.925 -7.473 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.384 4.525 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.472 3.605 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.222 3.719 -5.203 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.708 4.591 -5.544 1.00 0.00 H new ATOM 83 N SER A 6 6.903 8.882 -3.872 1.00 0.00 N ATOM 84 CA SER A 6 7.448 9.758 -2.858 1.00 0.00 C ATOM 85 C SER A 6 6.362 10.358 -1.954 1.00 0.00 C ATOM 86 O SER A 6 6.408 10.202 -0.732 1.00 0.00 O ATOM 87 CB SER A 6 8.271 10.867 -3.517 1.00 0.00 C ATOM 88 OG SER A 6 8.221 12.068 -2.765 1.00 0.00 O ATOM 0 H SER A 6 7.322 8.997 -4.795 1.00 0.00 H new ATOM 0 HA SER A 6 8.093 9.156 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.307 10.542 -3.617 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.896 11.051 -4.524 1.00 0.00 H new ATOM 0 HG SER A 6 9.085 12.216 -2.327 1.00 0.00 H new ATOM 94 N ASP A 7 5.391 11.044 -2.556 1.00 0.00 N ATOM 95 CA ASP A 7 4.314 11.666 -1.796 1.00 0.00 C ATOM 96 C ASP A 7 3.344 10.620 -1.266 1.00 0.00 C ATOM 97 O ASP A 7 3.108 10.536 -0.060 1.00 0.00 O ATOM 98 CB ASP A 7 3.568 12.687 -2.658 1.00 0.00 C ATOM 99 CG ASP A 7 3.439 12.266 -4.108 1.00 0.00 C ATOM 100 OD1 ASP A 7 2.624 11.364 -4.394 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.152 12.841 -4.958 1.00 0.00 O ATOM 0 H ASP A 7 5.330 11.181 -3.565 1.00 0.00 H new ATOM 0 HA ASP A 7 4.760 12.182 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.573 12.845 -2.243 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.089 13.643 -2.609 1.00 0.00 H new ATOM 106 N LEU A 8 2.794 9.816 -2.171 1.00 0.00 N ATOM 107 CA LEU A 8 1.858 8.760 -1.795 1.00 0.00 C ATOM 108 C LEU A 8 2.387 7.992 -0.592 1.00 0.00 C ATOM 109 O LEU A 8 1.722 7.889 0.440 1.00 0.00 O ATOM 110 CB LEU A 8 1.652 7.808 -2.970 1.00 0.00 C ATOM 111 CG LEU A 8 0.448 6.882 -2.858 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.844 7.663 -3.039 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.559 5.775 -3.888 1.00 0.00 C ATOM 0 H LEU A 8 2.980 9.875 -3.172 1.00 0.00 H new ATOM 0 HA LEU A 8 0.903 9.213 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.551 8.399 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.548 7.198 -3.083 1.00 0.00 H new ATOM 0 HG LEU A 8 0.432 6.436 -1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.694 6.985 -2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.916 8.431 -2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.850 8.133 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.304 5.114 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.589 6.209 -4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.471 5.205 -3.712 1.00 0.00 H new ATOM 125 N HIS A 9 3.606 7.481 -0.729 1.00 0.00 N ATOM 126 CA HIS A 9 4.251 6.750 0.348 1.00 0.00 C ATOM 127 C HIS A 9 4.383 7.648 1.562 1.00 0.00 C ATOM 128 O HIS A 9 4.050 7.262 2.674 1.00 0.00 O ATOM 129 CB HIS A 9 5.635 6.273 -0.080 1.00 0.00 C ATOM 130 CG HIS A 9 6.368 5.538 1.000 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.210 6.163 1.896 1.00 0.00 N ATOM 132 CD2 HIS A 9 6.378 4.225 1.333 1.00 0.00 C ATOM 133 CE1 HIS A 9 7.705 5.268 2.732 1.00 0.00 C ATOM 134 NE2 HIS A 9 7.215 4.084 2.413 1.00 0.00 N ATOM 0 H HIS A 9 4.165 7.562 -1.578 1.00 0.00 H new ATOM 0 HA HIS A 9 3.640 5.881 0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.535 5.623 -0.949 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.228 7.133 -0.392 1.00 0.00 H new ATOM 0 HD1 HIS A 9 7.418 7.161 1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.830 3.435 0.841 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.393 5.470 3.539 1.00 0.00 H new ATOM 143 N ARG A 10 4.869 8.857 1.331 1.00 0.00 N ATOM 144 CA ARG A 10 5.040 9.825 2.410 1.00 0.00 C ATOM 145 C ARG A 10 3.757 9.942 3.233 1.00 0.00 C ATOM 146 O ARG A 10 3.790 9.937 4.464 1.00 0.00 O ATOM 147 CB ARG A 10 5.426 11.193 1.840 1.00 0.00 C ATOM 148 CG ARG A 10 6.902 11.518 1.992 1.00 0.00 C ATOM 149 CD ARG A 10 7.292 11.666 3.453 1.00 0.00 C ATOM 150 NE ARG A 10 8.687 12.071 3.607 1.00 0.00 N ATOM 151 CZ ARG A 10 9.715 11.232 3.512 1.00 0.00 C ATOM 152 NH1 ARG A 10 9.509 9.944 3.262 1.00 0.00 N ATOM 153 NH2 ARG A 10 10.953 11.680 3.666 1.00 0.00 N ATOM 0 H ARG A 10 5.152 9.194 0.411 1.00 0.00 H new ATOM 0 HA ARG A 10 5.841 9.476 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.162 11.225 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 10 4.839 11.964 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.498 10.729 1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.129 12.441 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.645 12.404 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.130 10.720 3.970 1.00 0.00 H new ATOM 0 HE ARG A 10 8.884 13.053 3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.559 9.593 3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.301 9.305 3.190 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.118 12.668 3.857 1.00 0.00 H new ATOM 0 HH22 ARG A 10 11.741 11.036 3.593 1.00 0.00 H new ATOM 167 N GLN A 11 2.629 10.042 2.536 1.00 0.00 N ATOM 168 CA GLN A 11 1.326 10.160 3.179 1.00 0.00 C ATOM 169 C GLN A 11 0.977 8.901 3.975 1.00 0.00 C ATOM 170 O GLN A 11 0.860 8.937 5.203 1.00 0.00 O ATOM 171 CB GLN A 11 0.256 10.417 2.114 1.00 0.00 C ATOM 172 CG GLN A 11 -1.141 10.622 2.673 1.00 0.00 C ATOM 173 CD GLN A 11 -1.517 12.085 2.769 1.00 0.00 C ATOM 174 OE1 GLN A 11 -1.936 12.660 1.649 1.00 0.00 O flip ATOM 175 NE2 GLN A 11 -1.431 12.692 3.836 1.00 0.00 N flip ATOM 0 H GLN A 11 2.593 10.044 1.517 1.00 0.00 H new ATOM 0 HA GLN A 11 1.363 10.995 3.878 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.537 11.298 1.537 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.238 9.575 1.422 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.862 10.106 2.039 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.203 10.168 3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.104 12.209 4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.687 13.678 3.884 1.00 0.00 H new ATOM 184 N VAL A 12 0.802 7.792 3.263 1.00 0.00 N ATOM 185 CA VAL A 12 0.449 6.518 3.887 1.00 0.00 C ATOM 186 C VAL A 12 1.482 6.092 4.929 1.00 0.00 C ATOM 187 O VAL A 12 1.133 5.719 6.054 1.00 0.00 O ATOM 188 CB VAL A 12 0.297 5.410 2.823 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.611 5.176 2.094 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.211 4.122 3.452 1.00 0.00 C ATOM 0 H VAL A 12 0.899 7.749 2.249 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.505 6.664 4.393 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.440 5.742 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.479 4.391 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.922 6.096 1.600 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.375 4.873 2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.310 3.356 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.495 3.785 4.211 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.182 4.301 3.913 1.00 0.00 H new ATOM 200 N SER A 13 2.752 6.154 4.548 1.00 0.00 N ATOM 201 CA SER A 13 3.843 5.779 5.436 1.00 0.00 C ATOM 202 C SER A 13 3.825 6.613 6.708 1.00 0.00 C ATOM 203 O SER A 13 3.821 6.074 7.811 1.00 0.00 O ATOM 204 CB SER A 13 5.189 5.944 4.728 1.00 0.00 C ATOM 205 OG SER A 13 5.566 7.308 4.660 1.00 0.00 O ATOM 0 H SER A 13 3.052 6.463 3.623 1.00 0.00 H new ATOM 0 HA SER A 13 3.707 4.732 5.707 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.954 5.378 5.259 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.127 5.530 3.722 1.00 0.00 H new ATOM 0 HG SER A 13 4.975 7.780 4.037 1.00 0.00 H new ATOM 211 N ARG A 14 3.811 7.930 6.548 1.00 0.00 N ATOM 212 CA ARG A 14 3.796 8.830 7.691 1.00 0.00 C ATOM 213 C ARG A 14 2.504 8.680 8.481 1.00 0.00 C ATOM 214 O ARG A 14 2.453 8.995 9.667 1.00 0.00 O ATOM 215 CB ARG A 14 3.963 10.280 7.235 1.00 0.00 C ATOM 216 CG ARG A 14 4.385 11.220 8.352 1.00 0.00 C ATOM 217 CD ARG A 14 3.958 12.651 8.069 1.00 0.00 C ATOM 218 NE ARG A 14 5.007 13.414 7.397 1.00 0.00 N ATOM 219 CZ ARG A 14 6.113 13.846 8.000 1.00 0.00 C ATOM 220 NH1 ARG A 14 6.317 13.596 9.288 1.00 0.00 N ATOM 221 NH2 ARG A 14 7.017 14.531 7.314 1.00 0.00 N ATOM 0 H ARG A 14 3.810 8.396 5.641 1.00 0.00 H new ATOM 0 HA ARG A 14 4.632 8.565 8.338 1.00 0.00 H new ATOM 0 HB2 ARG A 14 4.705 10.319 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.022 10.630 6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.946 10.888 9.293 1.00 0.00 H new ATOM 0 HG3 ARG A 14 5.468 11.180 8.473 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.061 12.646 7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.696 13.143 9.006 1.00 0.00 H new ATOM 0 HE ARG A 14 4.885 13.629 6.407 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.625 13.070 9.821 1.00 0.00 H new ATOM 0 HH12 ARG A 14 7.166 13.930 9.744 1.00 0.00 H new ATOM 0 HH21 ARG A 14 6.865 14.727 6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.864 14.862 7.776 1.00 0.00 H new ATOM 235 N LEU A 15 1.458 8.201 7.819 1.00 0.00 N ATOM 236 CA LEU A 15 0.174 8.022 8.472 1.00 0.00 C ATOM 237 C LEU A 15 0.217 6.887 9.481 1.00 0.00 C ATOM 238 O LEU A 15 0.001 7.096 10.674 1.00 0.00 O ATOM 239 CB LEU A 15 -0.906 7.752 7.436 1.00 0.00 C ATOM 240 CG LEU A 15 -1.520 9.006 6.839 1.00 0.00 C ATOM 241 CD1 LEU A 15 -2.069 8.718 5.453 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.610 9.551 7.747 1.00 0.00 C ATOM 0 H LEU A 15 1.476 7.932 6.835 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.059 8.942 9.008 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.481 7.150 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.695 7.158 7.896 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.742 9.764 6.749 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.506 9.627 5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.262 8.376 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.834 7.945 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.038 10.450 7.303 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.390 8.800 7.870 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.184 9.795 8.720 1.00 0.00 H new ATOM 254 N VAL A 16 0.489 5.682 8.999 1.00 0.00 N ATOM 255 CA VAL A 16 0.547 4.521 9.875 1.00 0.00 C ATOM 256 C VAL A 16 1.785 4.565 10.759 1.00 0.00 C ATOM 257 O VAL A 16 1.789 4.022 11.863 1.00 0.00 O ATOM 258 CB VAL A 16 0.517 3.198 9.074 1.00 0.00 C ATOM 259 CG1 VAL A 16 1.425 2.143 9.693 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.904 2.673 8.969 1.00 0.00 C ATOM 0 H VAL A 16 0.671 5.484 8.015 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.340 4.555 10.508 1.00 0.00 H new ATOM 0 HB VAL A 16 0.892 3.412 8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.376 1.229 9.102 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.451 2.510 9.709 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.098 1.934 10.712 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.907 1.742 8.402 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.299 2.491 9.968 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.527 3.409 8.461 1.00 0.00 H new ATOM 270 N GLN A 17 2.832 5.215 10.274 1.00 0.00 N ATOM 271 CA GLN A 17 4.062 5.319 11.038 1.00 0.00 C ATOM 272 C GLN A 17 3.891 6.283 12.208 1.00 0.00 C ATOM 273 O GLN A 17 4.651 6.233 13.176 1.00 0.00 O ATOM 274 CB GLN A 17 5.220 5.760 10.141 1.00 0.00 C ATOM 275 CG GLN A 17 5.673 4.687 9.157 1.00 0.00 C ATOM 276 CD GLN A 17 6.916 3.957 9.625 1.00 0.00 C ATOM 277 OE1 GLN A 17 7.984 4.553 9.766 1.00 0.00 O ATOM 278 NE2 GLN A 17 6.784 2.658 9.869 1.00 0.00 N ATOM 0 H GLN A 17 2.854 5.674 9.363 1.00 0.00 H new ATOM 0 HA GLN A 17 4.297 4.333 11.440 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.920 6.648 9.585 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.065 6.047 10.767 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.867 3.968 9.012 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.869 5.147 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.880 2.204 9.739 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.587 2.115 10.187 1.00 0.00 H new ATOM 287 N GLN A 18 2.886 7.157 12.127 1.00 0.00 N ATOM 288 CA GLN A 18 2.634 8.113 13.200 1.00 0.00 C ATOM 289 C GLN A 18 1.227 8.700 13.109 1.00 0.00 C ATOM 290 O GLN A 18 1.058 9.916 13.027 1.00 0.00 O ATOM 291 CB GLN A 18 3.674 9.235 13.162 1.00 0.00 C ATOM 292 CG GLN A 18 3.673 10.023 11.863 1.00 0.00 C ATOM 293 CD GLN A 18 4.212 11.430 12.033 1.00 0.00 C ATOM 294 OE1 GLN A 18 3.507 12.325 12.500 1.00 0.00 O ATOM 295 NE2 GLN A 18 5.468 11.632 11.652 1.00 0.00 N ATOM 0 H GLN A 18 2.242 7.221 11.339 1.00 0.00 H new ATOM 0 HA GLN A 18 2.714 7.579 14.147 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.490 9.918 13.991 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.664 8.806 13.316 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.273 9.495 11.122 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.656 10.072 11.473 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.015 10.861 11.270 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.885 12.558 11.741 1.00 0.00 H new ATOM 304 N GLU A 19 0.214 7.833 13.131 1.00 0.00 N ATOM 305 CA GLU A 19 -1.173 8.290 13.058 1.00 0.00 C ATOM 306 C GLU A 19 -2.158 7.122 13.066 1.00 0.00 C ATOM 307 O GLU A 19 -3.006 7.022 13.953 1.00 0.00 O ATOM 308 CB GLU A 19 -1.389 9.142 11.804 1.00 0.00 C ATOM 309 CG GLU A 19 -2.195 10.406 12.060 1.00 0.00 C ATOM 310 CD GLU A 19 -1.407 11.669 11.773 1.00 0.00 C ATOM 311 OE1 GLU A 19 -1.373 12.093 10.599 1.00 0.00 O ATOM 312 OE2 GLU A 19 -0.824 12.233 12.722 1.00 0.00 O ATOM 0 H GLU A 19 0.326 6.821 13.198 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.362 8.895 13.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.419 9.417 11.390 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.899 8.542 11.050 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.091 10.393 11.440 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.526 10.417 13.098 1.00 0.00 H new ATOM 319 N SER A 20 -2.055 6.253 12.066 1.00 0.00 N ATOM 320 CA SER A 20 -2.954 5.107 11.955 1.00 0.00 C ATOM 321 C SER A 20 -2.448 3.918 12.767 1.00 0.00 C ATOM 322 O SER A 20 -2.935 3.650 13.866 1.00 0.00 O ATOM 323 CB SER A 20 -3.116 4.710 10.486 1.00 0.00 C ATOM 324 OG SER A 20 -3.704 5.759 9.740 1.00 0.00 O ATOM 0 H SER A 20 -1.360 6.319 11.322 1.00 0.00 H new ATOM 0 HA SER A 20 -3.923 5.400 12.360 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.143 4.460 10.064 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.735 3.816 10.413 1.00 0.00 H new ATOM 0 HG SER A 20 -4.285 6.290 10.324 1.00 0.00 H new ATOM 330 N GLY A 21 -1.473 3.207 12.215 1.00 0.00 N ATOM 331 CA GLY A 21 -0.915 2.052 12.889 1.00 0.00 C ATOM 332 C GLY A 21 -1.002 0.787 12.054 1.00 0.00 C ATOM 333 O GLY A 21 -0.167 -0.107 12.196 1.00 0.00 O ATOM 0 H GLY A 21 -1.057 3.412 11.307 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.128 2.249 13.135 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.441 1.897 13.831 1.00 0.00 H new ATOM 337 N ASP A 22 -2.010 0.711 11.177 1.00 0.00 N ATOM 338 CA ASP A 22 -2.203 -0.460 10.310 1.00 0.00 C ATOM 339 C ASP A 22 -3.584 -0.440 9.629 1.00 0.00 C ATOM 340 O ASP A 22 -3.960 -1.400 8.957 1.00 0.00 O ATOM 341 CB ASP A 22 -2.016 -1.767 11.115 1.00 0.00 C ATOM 342 CG ASP A 22 -3.279 -2.605 11.221 1.00 0.00 C ATOM 343 OD1 ASP A 22 -4.140 -2.279 12.066 1.00 0.00 O ATOM 344 OD2 ASP A 22 -3.405 -3.588 10.460 1.00 0.00 O ATOM 0 H ASP A 22 -2.705 1.446 11.048 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.447 -0.418 9.526 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.233 -2.363 10.646 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.670 -1.519 12.118 1.00 0.00 H new ATOM 349 N CYS A 23 -4.333 0.652 9.807 1.00 0.00 N ATOM 350 CA CYS A 23 -5.664 0.793 9.212 1.00 0.00 C ATOM 351 C CYS A 23 -5.640 0.511 7.713 1.00 0.00 C ATOM 352 O CYS A 23 -4.678 -0.047 7.187 1.00 0.00 O ATOM 353 CB CYS A 23 -6.191 2.207 9.468 1.00 0.00 C ATOM 354 SG CYS A 23 -6.259 2.661 11.216 1.00 0.00 S ATOM 0 H CYS A 23 -4.037 1.455 10.362 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.324 0.061 9.678 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.557 2.921 8.942 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.190 2.294 9.041 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.715 3.873 11.332 1.00 0.00 H new ATOM 360 N THR A 24 -6.703 0.908 7.024 1.00 0.00 N ATOM 361 CA THR A 24 -6.790 0.696 5.589 1.00 0.00 C ATOM 362 C THR A 24 -6.520 2.006 4.859 1.00 0.00 C ATOM 363 O THR A 24 -6.684 3.084 5.428 1.00 0.00 O ATOM 364 CB THR A 24 -8.165 0.141 5.215 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.519 -0.933 6.067 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.249 -0.360 3.789 1.00 0.00 C ATOM 0 H THR A 24 -7.511 1.376 7.435 1.00 0.00 H new ATOM 0 HA THR A 24 -6.038 -0.034 5.289 1.00 0.00 H new ATOM 0 HB THR A 24 -8.851 0.981 5.326 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.459 -1.169 5.922 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.252 -0.739 3.595 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.031 0.458 3.102 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.524 -1.161 3.641 1.00 0.00 H new ATOM 374 N GLY A 25 -6.072 1.912 3.613 1.00 0.00 N ATOM 375 CA GLY A 25 -5.753 3.105 2.862 1.00 0.00 C ATOM 376 C GLY A 25 -6.763 3.443 1.796 1.00 0.00 C ATOM 377 O GLY A 25 -7.108 2.609 0.960 1.00 0.00 O ATOM 0 H GLY A 25 -5.925 1.035 3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.671 3.946 3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.776 2.979 2.396 1.00 0.00 H new ATOM 381 N LYS A 26 -7.212 4.687 1.815 1.00 0.00 N ATOM 382 CA LYS A 26 -8.163 5.172 0.834 1.00 0.00 C ATOM 383 C LYS A 26 -7.465 6.160 -0.092 1.00 0.00 C ATOM 384 O LYS A 26 -6.874 7.139 0.372 1.00 0.00 O ATOM 385 CB LYS A 26 -9.361 5.830 1.526 1.00 0.00 C ATOM 386 CG LYS A 26 -9.047 7.185 2.123 1.00 0.00 C ATOM 387 CD LYS A 26 -9.215 8.297 1.097 1.00 0.00 C ATOM 388 CE LYS A 26 -10.307 9.274 1.502 1.00 0.00 C ATOM 389 NZ LYS A 26 -9.754 10.473 2.189 1.00 0.00 N ATOM 0 H LYS A 26 -6.929 5.382 2.505 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.538 4.333 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.171 5.939 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.722 5.170 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.703 7.370 2.973 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.025 7.189 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -8.272 8.832 0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.456 7.864 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.861 9.586 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.016 8.773 2.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -10.296 11.315 1.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.821 10.345 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.757 10.598 1.920 1.00 0.00 H new ATOM 403 N LEU A 27 -7.511 5.882 -1.394 1.00 0.00 N ATOM 404 CA LEU A 27 -6.858 6.736 -2.381 1.00 0.00 C ATOM 405 C LEU A 27 -7.871 7.538 -3.193 1.00 0.00 C ATOM 406 O LEU A 27 -9.024 7.137 -3.347 1.00 0.00 O ATOM 407 CB LEU A 27 -5.994 5.892 -3.321 1.00 0.00 C ATOM 408 CG LEU A 27 -5.221 6.686 -4.376 1.00 0.00 C ATOM 409 CD1 LEU A 27 -3.901 6.004 -4.697 1.00 0.00 C ATOM 410 CD2 LEU A 27 -6.057 6.855 -5.637 1.00 0.00 C ATOM 0 H LEU A 27 -7.993 5.074 -1.788 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.227 7.441 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.282 5.323 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.634 5.170 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.006 7.675 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.366 6.583 -5.449 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.297 5.937 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.093 5.002 -5.080 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.491 7.422 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.304 5.874 -6.044 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.976 7.390 -5.396 1.00 0.00 H new ATOM 422 N ARG A 28 -7.412 8.677 -3.708 1.00 0.00 N ATOM 423 CA ARG A 28 -8.232 9.580 -4.515 1.00 0.00 C ATOM 424 C ARG A 28 -7.573 10.955 -4.549 1.00 0.00 C ATOM 425 O ARG A 28 -8.193 11.968 -4.223 1.00 0.00 O ATOM 426 CB ARG A 28 -9.655 9.686 -3.952 1.00 0.00 C ATOM 427 CG ARG A 28 -10.680 8.876 -4.732 1.00 0.00 C ATOM 428 CD ARG A 28 -11.923 8.600 -3.900 1.00 0.00 C ATOM 429 NE ARG A 28 -12.297 7.187 -3.922 1.00 0.00 N ATOM 430 CZ ARG A 28 -13.221 6.653 -3.125 1.00 0.00 C ATOM 431 NH1 ARG A 28 -13.865 7.409 -2.244 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.504 5.360 -3.210 1.00 0.00 N ATOM 0 H ARG A 28 -6.454 9.002 -3.576 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.305 9.181 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.652 9.351 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.958 10.733 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.959 9.416 -5.637 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.235 7.932 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.746 8.912 -2.871 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.751 9.200 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.823 6.575 -4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.653 8.404 -2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.572 6.994 -1.636 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.014 4.774 -3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.212 4.952 -2.599 1.00 0.00 H new ATOM 446 N GLY A 29 -6.293 10.972 -4.910 1.00 0.00 N ATOM 447 CA GLY A 29 -5.542 12.214 -4.940 1.00 0.00 C ATOM 448 C GLY A 29 -4.754 12.401 -3.656 1.00 0.00 C ATOM 449 O GLY A 29 -3.916 13.295 -3.546 1.00 0.00 O ATOM 0 H GLY A 29 -5.762 10.145 -5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.862 12.212 -5.792 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.224 13.053 -5.078 1.00 0.00 H new ATOM 453 N ASN A 30 -5.037 11.533 -2.688 1.00 0.00 N ATOM 454 CA ASN A 30 -4.384 11.547 -1.393 1.00 0.00 C ATOM 455 C ASN A 30 -4.690 10.228 -0.693 1.00 0.00 C ATOM 456 O ASN A 30 -5.594 9.503 -1.109 1.00 0.00 O ATOM 457 CB ASN A 30 -4.862 12.755 -0.564 1.00 0.00 C ATOM 458 CG ASN A 30 -5.447 12.378 0.788 1.00 0.00 C ATOM 459 OD1 ASN A 30 -6.560 11.653 0.772 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -4.903 12.736 1.833 1.00 0.00 N flip ATOM 0 H ASN A 30 -5.734 10.795 -2.787 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.305 11.649 -1.510 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.023 13.433 -0.410 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.613 13.301 -1.135 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.049 13.292 1.799 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.307 12.476 2.733 1.00 0.00 H new ATOM 467 N VAL A 31 -3.954 9.909 0.358 1.00 0.00 N ATOM 468 CA VAL A 31 -4.194 8.664 1.074 1.00 0.00 C ATOM 469 C VAL A 31 -4.731 8.935 2.476 1.00 0.00 C ATOM 470 O VAL A 31 -4.266 9.842 3.167 1.00 0.00 O ATOM 471 CB VAL A 31 -2.925 7.767 1.125 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.870 8.250 0.137 1.00 0.00 C ATOM 473 CG2 VAL A 31 -2.339 7.678 2.529 1.00 0.00 C ATOM 0 H VAL A 31 -3.197 10.482 0.731 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.953 8.114 0.519 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.238 6.764 0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.994 7.604 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.277 8.220 -0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.583 9.273 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.455 7.041 2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.062 8.675 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.080 7.254 3.206 1.00 0.00 H new ATOM 483 N ALA A 32 -5.716 8.145 2.886 1.00 0.00 N ATOM 484 CA ALA A 32 -6.321 8.300 4.203 1.00 0.00 C ATOM 485 C ALA A 32 -6.385 6.961 4.922 1.00 0.00 C ATOM 486 O ALA A 32 -6.194 5.911 4.309 1.00 0.00 O ATOM 487 CB ALA A 32 -7.705 8.922 4.094 1.00 0.00 C ATOM 0 H ALA A 32 -6.113 7.391 2.326 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.695 8.973 4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.136 9.027 5.090 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.627 9.904 3.627 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.345 8.281 3.488 1.00 0.00 H new ATOM 493 N ALA A 33 -6.640 7.002 6.223 1.00 0.00 N ATOM 494 CA ALA A 33 -6.707 5.785 7.018 1.00 0.00 C ATOM 495 C ALA A 33 -8.146 5.400 7.332 1.00 0.00 C ATOM 496 O ALA A 33 -8.856 6.114 8.041 1.00 0.00 O ATOM 497 CB ALA A 33 -5.922 5.959 8.306 1.00 0.00 C ATOM 0 H ALA A 33 -6.803 7.861 6.748 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.266 4.979 6.431 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.979 5.043 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.880 6.175 8.071 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.343 6.784 8.880 1.00 0.00 H new ATOM 503 N ASN A 34 -8.561 4.258 6.798 1.00 0.00 N ATOM 504 CA ASN A 34 -9.907 3.752 7.009 1.00 0.00 C ATOM 505 C ASN A 34 -9.942 2.843 8.236 1.00 0.00 C ATOM 506 O ASN A 34 -9.253 1.823 8.287 1.00 0.00 O ATOM 507 CB ASN A 34 -10.382 3.005 5.753 1.00 0.00 C ATOM 508 CG ASN A 34 -11.328 1.852 6.048 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.154 1.928 6.958 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.213 0.777 5.273 1.00 0.00 N ATOM 0 H ASN A 34 -7.977 3.662 6.211 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.584 4.587 7.190 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.880 3.711 5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.513 2.622 5.218 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.823 -0.027 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.515 0.756 4.530 1.00 0.00 H new ATOM 517 N LYS A 35 -10.746 3.228 9.221 1.00 0.00 N ATOM 518 CA LYS A 35 -10.876 2.459 10.453 1.00 0.00 C ATOM 519 C LYS A 35 -12.267 1.840 10.568 1.00 0.00 C ATOM 520 O LYS A 35 -12.460 0.855 11.281 1.00 0.00 O ATOM 521 CB LYS A 35 -10.602 3.354 11.664 1.00 0.00 C ATOM 522 CG LYS A 35 -10.060 2.602 12.869 1.00 0.00 C ATOM 523 CD LYS A 35 -10.380 3.327 14.167 1.00 0.00 C ATOM 524 CE LYS A 35 -9.274 4.296 14.552 1.00 0.00 C ATOM 525 NZ LYS A 35 -9.270 5.508 13.687 1.00 0.00 N ATOM 0 H LYS A 35 -11.319 4.071 9.190 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.143 1.653 10.428 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.889 4.128 11.379 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.525 3.860 11.947 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.487 1.599 12.896 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.981 2.486 12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.319 3.870 14.060 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.522 2.599 14.966 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.399 4.594 15.593 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.309 3.794 14.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.800 6.290 14.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.758 5.303 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.249 5.779 13.464 1.00 0.00 H new ATOM 539 N GLU A 36 -13.235 2.423 9.863 1.00 0.00 N ATOM 540 CA GLU A 36 -14.608 1.927 9.889 1.00 0.00 C ATOM 541 C GLU A 36 -14.660 0.449 9.503 1.00 0.00 C ATOM 542 O GLU A 36 -15.283 -0.361 10.190 1.00 0.00 O ATOM 543 CB GLU A 36 -15.491 2.772 8.958 1.00 0.00 C ATOM 544 CG GLU A 36 -15.707 2.178 7.574 1.00 0.00 C ATOM 545 CD GLU A 36 -16.599 3.040 6.702 1.00 0.00 C ATOM 546 OE1 GLU A 36 -16.307 4.247 6.563 1.00 0.00 O ATOM 547 OE2 GLU A 36 -17.590 2.509 6.158 1.00 0.00 O ATOM 0 H GLU A 36 -13.093 3.239 9.267 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.992 2.017 10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.462 2.916 9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.040 3.758 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.742 2.048 7.084 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.150 1.187 7.673 1.00 0.00 H new ATOM 554 N THR A 37 -13.994 0.106 8.406 1.00 0.00 N ATOM 555 CA THR A 37 -13.955 -1.275 7.935 1.00 0.00 C ATOM 556 C THR A 37 -12.611 -1.915 8.273 1.00 0.00 C ATOM 557 O THR A 37 -11.889 -1.432 9.145 1.00 0.00 O ATOM 558 CB THR A 37 -14.211 -1.343 6.426 1.00 0.00 C ATOM 559 OG1 THR A 37 -13.050 -0.982 5.702 1.00 0.00 O ATOM 560 CG2 THR A 37 -15.338 -0.446 5.963 1.00 0.00 C ATOM 0 H THR A 37 -13.474 0.764 7.826 1.00 0.00 H new ATOM 0 HA THR A 37 -14.745 -1.830 8.442 1.00 0.00 H new ATOM 0 HB THR A 37 -14.492 -2.378 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.310 -0.559 4.857 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.463 -0.546 4.885 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.262 -0.735 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.102 0.590 6.207 1.00 0.00 H new ATOM 568 N THR A 38 -12.282 -3.007 7.590 1.00 0.00 N ATOM 569 CA THR A 38 -11.025 -3.708 7.839 1.00 0.00 C ATOM 570 C THR A 38 -10.288 -4.038 6.540 1.00 0.00 C ATOM 571 O THR A 38 -9.059 -4.010 6.495 1.00 0.00 O ATOM 572 CB THR A 38 -11.293 -4.991 8.623 1.00 0.00 C ATOM 573 OG1 THR A 38 -12.058 -5.900 7.851 1.00 0.00 O ATOM 574 CG2 THR A 38 -12.033 -4.753 9.921 1.00 0.00 C ATOM 0 H THR A 38 -12.864 -3.425 6.864 1.00 0.00 H new ATOM 0 HA THR A 38 -10.387 -3.045 8.422 1.00 0.00 H new ATOM 0 HB THR A 38 -10.310 -5.401 8.854 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.218 -6.716 8.370 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.192 -5.704 10.429 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.445 -4.094 10.560 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.997 -4.289 9.711 1.00 0.00 H new ATOM 582 N PHE A 39 -11.042 -4.365 5.493 1.00 0.00 N ATOM 583 CA PHE A 39 -10.461 -4.716 4.196 1.00 0.00 C ATOM 584 C PHE A 39 -9.846 -6.116 4.253 1.00 0.00 C ATOM 585 O PHE A 39 -9.761 -6.725 5.320 1.00 0.00 O ATOM 586 CB PHE A 39 -9.416 -3.658 3.752 1.00 0.00 C ATOM 587 CG PHE A 39 -8.092 -4.233 3.306 1.00 0.00 C ATOM 588 CD1 PHE A 39 -7.279 -4.924 4.194 1.00 0.00 C ATOM 589 CD2 PHE A 39 -7.671 -4.089 1.995 1.00 0.00 C ATOM 590 CE1 PHE A 39 -6.075 -5.460 3.780 1.00 0.00 C ATOM 591 CE2 PHE A 39 -6.466 -4.622 1.577 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.668 -5.309 2.470 1.00 0.00 C ATOM 0 H PHE A 39 -12.061 -4.395 5.516 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.255 -4.724 3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.836 -3.071 2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.239 -2.971 4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.592 -5.044 5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.291 -3.554 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.453 -5.997 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.149 -4.501 0.552 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.727 -5.727 2.144 1.00 0.00 H new ATOM 602 N GLN A 40 -9.415 -6.615 3.098 1.00 0.00 N ATOM 603 CA GLN A 40 -8.799 -7.941 3.005 1.00 0.00 C ATOM 604 C GLN A 40 -8.638 -8.371 1.552 1.00 0.00 C ATOM 605 O GLN A 40 -8.824 -9.540 1.212 1.00 0.00 O ATOM 606 CB GLN A 40 -9.634 -8.978 3.752 1.00 0.00 C ATOM 607 CG GLN A 40 -11.133 -8.819 3.546 1.00 0.00 C ATOM 608 CD GLN A 40 -11.881 -8.592 4.845 1.00 0.00 C ATOM 609 OE1 GLN A 40 -11.817 -9.409 5.764 1.00 0.00 O ATOM 610 NE2 GLN A 40 -12.596 -7.476 4.927 1.00 0.00 N ATOM 0 H GLN A 40 -9.480 -6.121 2.208 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.812 -7.876 3.464 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.335 -9.975 3.427 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.413 -8.910 4.817 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.316 -7.980 2.874 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.525 -9.711 3.057 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.620 -6.827 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.121 -7.268 5.776 1.00 0.00 H new ATOM 619 N GLY A 41 -8.307 -7.414 0.699 1.00 0.00 N ATOM 620 CA GLY A 41 -8.142 -7.694 -0.718 1.00 0.00 C ATOM 621 C GLY A 41 -9.468 -7.699 -1.459 1.00 0.00 C ATOM 622 O GLY A 41 -9.501 -7.492 -2.668 1.00 0.00 O ATOM 0 H GLY A 41 -8.148 -6.441 0.962 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.483 -6.947 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.655 -8.661 -0.841 1.00 0.00 H new ATOM 626 N LEU A 42 -10.562 -7.912 -0.717 1.00 0.00 N ATOM 627 CA LEU A 42 -11.921 -7.931 -1.273 1.00 0.00 C ATOM 628 C LEU A 42 -12.024 -7.133 -2.575 1.00 0.00 C ATOM 629 O LEU A 42 -11.446 -6.056 -2.701 1.00 0.00 O ATOM 630 CB LEU A 42 -12.892 -7.366 -0.233 1.00 0.00 C ATOM 631 CG LEU A 42 -14.379 -7.492 -0.561 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.713 -8.888 -1.069 1.00 0.00 C ATOM 633 CD2 LEU A 42 -15.210 -7.160 0.667 1.00 0.00 C ATOM 0 H LEU A 42 -10.529 -8.077 0.289 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.177 -8.964 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.707 -7.868 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.662 -6.311 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.617 -6.783 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.778 -8.948 -1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.139 -9.093 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.462 -9.623 -0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.269 -7.252 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.960 -7.850 1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -14.998 -6.139 0.985 1.00 0.00 H new ATOM 645 N THR A 43 -12.756 -7.674 -3.544 1.00 0.00 N ATOM 646 CA THR A 43 -12.920 -7.016 -4.836 1.00 0.00 C ATOM 647 C THR A 43 -14.154 -6.114 -4.861 1.00 0.00 C ATOM 648 O THR A 43 -14.728 -5.865 -5.921 1.00 0.00 O ATOM 649 CB THR A 43 -13.019 -8.062 -5.945 1.00 0.00 C ATOM 650 OG1 THR A 43 -11.993 -9.030 -5.814 1.00 0.00 O ATOM 651 CG2 THR A 43 -12.918 -7.470 -7.333 1.00 0.00 C ATOM 0 H THR A 43 -13.245 -8.565 -3.459 1.00 0.00 H new ATOM 0 HA THR A 43 -12.045 -6.387 -5.001 1.00 0.00 H new ATOM 0 HB THR A 43 -14.004 -8.514 -5.831 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.074 -9.692 -6.532 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.996 -8.265 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.726 -6.754 -7.483 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.959 -6.963 -7.444 1.00 0.00 H new ATOM 659 N ILE A 44 -14.554 -5.620 -3.692 1.00 0.00 N ATOM 660 CA ILE A 44 -15.714 -4.737 -3.584 1.00 0.00 C ATOM 661 C ILE A 44 -17.028 -5.484 -3.802 1.00 0.00 C ATOM 662 O ILE A 44 -18.099 -4.878 -3.803 1.00 0.00 O ATOM 663 CB ILE A 44 -15.630 -3.576 -4.593 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.212 -2.995 -4.635 1.00 0.00 C ATOM 665 CG2 ILE A 44 -16.641 -2.495 -4.242 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.574 -2.848 -3.269 1.00 0.00 C ATOM 0 H ILE A 44 -14.092 -5.816 -2.804 1.00 0.00 H new ATOM 0 HA ILE A 44 -15.700 -4.341 -2.568 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.868 -3.964 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -13.584 -3.637 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.243 -2.019 -5.119 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.569 -1.682 -4.964 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.646 -2.915 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.433 -2.113 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.573 -2.431 -3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -14.179 -2.182 -2.654 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.510 -3.825 -2.790 1.00 0.00 H new ATOM 678 N ALA A 45 -16.946 -6.797 -3.986 1.00 0.00 N ATOM 679 CA ALA A 45 -18.136 -7.610 -4.202 1.00 0.00 C ATOM 680 C ALA A 45 -18.919 -7.793 -2.906 1.00 0.00 C ATOM 681 O ALA A 45 -20.133 -7.996 -2.927 1.00 0.00 O ATOM 682 CB ALA A 45 -17.752 -8.962 -4.784 1.00 0.00 C ATOM 0 H ALA A 45 -16.070 -7.320 -3.990 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.778 -7.089 -4.913 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -18.650 -9.559 -4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.243 -8.817 -5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.088 -9.480 -4.093 1.00 0.00 H new ATOM 688 N SER A 46 -18.217 -7.722 -1.778 1.00 0.00 N ATOM 689 CA SER A 46 -18.853 -7.883 -0.474 1.00 0.00 C ATOM 690 C SER A 46 -19.210 -6.528 0.134 1.00 0.00 C ATOM 691 O SER A 46 -20.279 -6.367 0.724 1.00 0.00 O ATOM 692 CB SER A 46 -17.936 -8.659 0.475 1.00 0.00 C ATOM 693 OG SER A 46 -18.461 -9.946 0.751 1.00 0.00 O ATOM 0 H SER A 46 -17.212 -7.555 -1.741 1.00 0.00 H new ATOM 0 HA SER A 46 -19.774 -8.447 -0.617 1.00 0.00 H new ATOM 0 HB2 SER A 46 -16.945 -8.754 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.817 -8.104 1.406 1.00 0.00 H new ATOM 0 HG SER A 46 -17.857 -10.423 1.358 1.00 0.00 H new ATOM 699 N GLY A 47 -18.315 -5.555 -0.015 1.00 0.00 N ATOM 700 CA GLY A 47 -18.570 -4.233 0.528 1.00 0.00 C ATOM 701 C GLY A 47 -17.303 -3.467 0.868 1.00 0.00 C ATOM 702 O GLY A 47 -17.257 -2.756 1.872 1.00 0.00 O ATOM 0 H GLY A 47 -17.423 -5.658 -0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.151 -3.658 -0.193 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.180 -4.328 1.426 1.00 0.00 H new ATOM 706 N ALA A 48 -16.276 -3.600 0.033 1.00 0.00 N ATOM 707 CA ALA A 48 -15.017 -2.899 0.261 1.00 0.00 C ATOM 708 C ALA A 48 -15.102 -1.464 -0.246 1.00 0.00 C ATOM 709 O ALA A 48 -15.945 -1.142 -1.082 1.00 0.00 O ATOM 710 CB ALA A 48 -13.865 -3.629 -0.416 1.00 0.00 C ATOM 0 H ALA A 48 -16.291 -4.184 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.831 -2.878 1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.935 -3.090 -0.234 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.785 -4.638 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.049 -3.683 -1.489 1.00 0.00 H new ATOM 716 N ARG A 49 -14.225 -0.604 0.261 1.00 0.00 N ATOM 717 CA ARG A 49 -14.213 0.794 -0.153 1.00 0.00 C ATOM 718 C ARG A 49 -13.491 0.955 -1.488 1.00 0.00 C ATOM 719 O ARG A 49 -12.382 0.454 -1.669 1.00 0.00 O ATOM 720 CB ARG A 49 -13.544 1.662 0.917 1.00 0.00 C ATOM 721 CG ARG A 49 -14.398 2.836 1.369 1.00 0.00 C ATOM 722 CD ARG A 49 -13.697 4.163 1.124 1.00 0.00 C ATOM 723 NE ARG A 49 -14.569 5.303 1.398 1.00 0.00 N ATOM 724 CZ ARG A 49 -15.500 5.744 0.555 1.00 0.00 C ATOM 725 NH1 ARG A 49 -15.687 5.142 -0.613 1.00 0.00 N ATOM 726 NH2 ARG A 49 -16.247 6.790 0.882 1.00 0.00 N ATOM 0 H ARG A 49 -13.518 -0.848 0.954 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.245 1.122 -0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.308 1.041 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -12.598 2.040 0.528 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -15.349 2.822 0.836 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.626 2.734 2.430 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.810 4.226 1.754 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.357 4.207 0.089 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.458 5.789 2.288 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.116 4.337 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.402 5.485 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.108 7.256 1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.961 7.129 0.237 1.00 0.00 H new ATOM 740 N GLU A 50 -14.126 1.659 -2.422 1.00 0.00 N ATOM 741 CA GLU A 50 -13.538 1.887 -3.740 1.00 0.00 C ATOM 742 C GLU A 50 -12.132 2.469 -3.615 1.00 0.00 C ATOM 743 O GLU A 50 -11.295 2.309 -4.507 1.00 0.00 O ATOM 744 CB GLU A 50 -14.420 2.829 -4.561 1.00 0.00 C ATOM 745 CG GLU A 50 -15.528 2.118 -5.320 1.00 0.00 C ATOM 746 CD GLU A 50 -16.800 1.988 -4.505 1.00 0.00 C ATOM 747 OE1 GLU A 50 -17.246 3.005 -3.934 1.00 0.00 O ATOM 748 OE2 GLU A 50 -17.349 0.868 -4.438 1.00 0.00 O ATOM 0 H GLU A 50 -15.046 2.081 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.471 0.926 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.864 3.569 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.795 3.372 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.743 2.664 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.185 1.126 -5.612 1.00 0.00 H new ATOM 755 N SER A 51 -11.882 3.145 -2.499 1.00 0.00 N ATOM 756 CA SER A 51 -10.586 3.754 -2.244 1.00 0.00 C ATOM 757 C SER A 51 -9.519 2.689 -1.997 1.00 0.00 C ATOM 758 O SER A 51 -8.443 2.728 -2.591 1.00 0.00 O ATOM 759 CB SER A 51 -10.685 4.701 -1.054 1.00 0.00 C ATOM 760 OG SER A 51 -10.938 3.992 0.147 1.00 0.00 O ATOM 0 H SER A 51 -12.565 3.284 -1.754 1.00 0.00 H new ATOM 0 HA SER A 51 -10.290 4.322 -3.126 1.00 0.00 H new ATOM 0 HB2 SER A 51 -9.758 5.266 -0.957 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.482 5.424 -1.227 1.00 0.00 H new ATOM 0 HG SER A 51 -10.143 3.476 0.396 1.00 0.00 H new ATOM 766 N GLU A 52 -9.821 1.730 -1.126 1.00 0.00 N ATOM 767 CA GLU A 52 -8.875 0.653 -0.833 1.00 0.00 C ATOM 768 C GLU A 52 -8.470 -0.049 -2.130 1.00 0.00 C ATOM 769 O GLU A 52 -7.288 -0.123 -2.467 1.00 0.00 O ATOM 770 CB GLU A 52 -9.447 -0.374 0.169 1.00 0.00 C ATOM 771 CG GLU A 52 -10.913 -0.183 0.548 1.00 0.00 C ATOM 772 CD GLU A 52 -11.143 -0.259 2.043 1.00 0.00 C ATOM 773 OE1 GLU A 52 -10.729 0.681 2.753 1.00 0.00 O ATOM 774 OE2 GLU A 52 -11.738 -1.255 2.505 1.00 0.00 O ATOM 0 H GLU A 52 -10.702 1.674 -0.615 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.999 1.105 -0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.327 -1.372 -0.253 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.848 -0.339 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.257 0.784 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.515 -0.945 0.052 1.00 0.00 H new ATOM 781 N LYS A 53 -9.464 -0.557 -2.856 1.00 0.00 N ATOM 782 CA LYS A 53 -9.225 -1.250 -4.125 1.00 0.00 C ATOM 783 C LYS A 53 -8.368 -0.408 -5.077 1.00 0.00 C ATOM 784 O LYS A 53 -7.288 -0.842 -5.491 1.00 0.00 O ATOM 785 CB LYS A 53 -10.555 -1.614 -4.790 1.00 0.00 C ATOM 786 CG LYS A 53 -11.559 -0.476 -4.780 1.00 0.00 C ATOM 787 CD LYS A 53 -12.218 -0.264 -6.138 1.00 0.00 C ATOM 788 CE LYS A 53 -11.199 -0.165 -7.263 1.00 0.00 C ATOM 789 NZ LYS A 53 -11.439 -1.184 -8.321 1.00 0.00 N ATOM 0 H LYS A 53 -10.447 -0.502 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.674 -2.164 -3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.368 -1.916 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.986 -2.475 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.328 -0.681 -4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.058 0.443 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.901 -1.089 -6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.816 0.647 -6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.240 0.831 -7.703 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.196 -0.293 -6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.724 -1.083 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.375 -2.136 -7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.386 -1.046 -8.727 1.00 0.00 H new ATOM 803 N VAL A 54 -8.834 0.797 -5.426 1.00 0.00 N ATOM 804 CA VAL A 54 -8.081 1.656 -6.317 1.00 0.00 C ATOM 805 C VAL A 54 -6.660 1.833 -5.807 1.00 0.00 C ATOM 806 O VAL A 54 -5.693 1.721 -6.562 1.00 0.00 O ATOM 807 CB VAL A 54 -8.739 3.035 -6.459 1.00 0.00 C ATOM 808 CG1 VAL A 54 -10.044 2.937 -7.234 1.00 0.00 C ATOM 809 CG2 VAL A 54 -8.958 3.682 -5.102 1.00 0.00 C ATOM 0 H VAL A 54 -9.720 1.187 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.065 1.175 -7.295 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.059 3.672 -7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.491 3.927 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.847 2.539 -8.229 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.731 2.274 -6.708 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.426 4.658 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.607 3.048 -4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.999 3.805 -4.599 1.00 0.00 H new ATOM 819 N PHE A 55 -6.545 2.095 -4.512 1.00 0.00 N ATOM 820 CA PHE A 55 -5.244 2.273 -3.879 1.00 0.00 C ATOM 821 C PHE A 55 -4.326 1.103 -4.215 1.00 0.00 C ATOM 822 O PHE A 55 -3.173 1.297 -4.598 1.00 0.00 O ATOM 823 CB PHE A 55 -5.401 2.399 -2.360 1.00 0.00 C ATOM 824 CG PHE A 55 -4.220 3.025 -1.658 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.171 3.591 -2.372 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.167 3.050 -0.273 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.099 4.167 -1.716 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.096 3.623 0.386 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.062 4.183 -0.337 1.00 0.00 C ATOM 0 H PHE A 55 -7.338 2.189 -3.878 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.797 3.191 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.290 2.992 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.572 1.407 -1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.193 3.581 -3.452 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -4.974 2.616 0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.291 4.604 -2.283 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.068 3.633 1.466 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.225 4.633 0.176 1.00 0.00 H new ATOM 839 N ALA A 56 -4.854 -0.114 -4.084 1.00 0.00 N ATOM 840 CA ALA A 56 -4.084 -1.313 -4.392 1.00 0.00 C ATOM 841 C ALA A 56 -3.623 -1.281 -5.840 1.00 0.00 C ATOM 842 O ALA A 56 -2.458 -1.542 -6.140 1.00 0.00 O ATOM 843 CB ALA A 56 -4.905 -2.568 -4.129 1.00 0.00 C ATOM 0 H ALA A 56 -5.807 -0.292 -3.768 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.210 -1.335 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.309 -3.449 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.196 -2.599 -3.079 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.799 -2.556 -4.753 1.00 0.00 H new ATOM 849 N GLN A 57 -4.547 -0.950 -6.737 1.00 0.00 N ATOM 850 CA GLN A 57 -4.229 -0.872 -8.157 1.00 0.00 C ATOM 851 C GLN A 57 -3.102 0.129 -8.396 1.00 0.00 C ATOM 852 O GLN A 57 -2.202 -0.108 -9.203 1.00 0.00 O ATOM 853 CB GLN A 57 -5.466 -0.465 -8.960 1.00 0.00 C ATOM 854 CG GLN A 57 -6.548 -1.532 -8.993 1.00 0.00 C ATOM 855 CD GLN A 57 -6.116 -2.775 -9.746 1.00 0.00 C ATOM 856 OE1 GLN A 57 -5.347 -3.631 -9.084 1.00 0.00 O flip ATOM 857 NE2 GLN A 57 -6.471 -2.965 -10.909 1.00 0.00 N flip ATOM 0 H GLN A 57 -5.517 -0.733 -6.507 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.902 -1.857 -8.489 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.881 0.448 -8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.165 -0.232 -9.982 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.816 -1.804 -7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.444 -1.122 -9.459 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.063 -2.280 -11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.174 -3.807 -11.402 1.00 0.00 H new ATOM 866 N THR A 58 -3.159 1.249 -7.681 1.00 0.00 N ATOM 867 CA THR A 58 -2.149 2.293 -7.805 1.00 0.00 C ATOM 868 C THR A 58 -0.804 1.828 -7.255 1.00 0.00 C ATOM 869 O THR A 58 0.198 1.815 -7.971 1.00 0.00 O ATOM 870 CB THR A 58 -2.602 3.558 -7.074 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.841 4.017 -7.584 1.00 0.00 O ATOM 872 CG2 THR A 58 -1.611 4.696 -7.178 1.00 0.00 C ATOM 0 H THR A 58 -3.897 1.456 -7.008 1.00 0.00 H new ATOM 0 HA THR A 58 -2.026 2.516 -8.865 1.00 0.00 H new ATOM 0 HB THR A 58 -2.690 3.270 -6.027 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.549 3.384 -7.342 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.994 5.562 -6.638 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.659 4.390 -6.745 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.466 4.957 -8.226 1.00 0.00 H new ATOM 880 N VAL A 59 -0.785 1.451 -5.979 1.00 0.00 N ATOM 881 CA VAL A 59 0.441 0.992 -5.338 1.00 0.00 C ATOM 882 C VAL A 59 1.054 -0.176 -6.103 1.00 0.00 C ATOM 883 O VAL A 59 2.267 -0.231 -6.301 1.00 0.00 O ATOM 884 CB VAL A 59 0.198 0.573 -3.872 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.844 -0.528 -3.783 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.494 0.125 -3.223 1.00 0.00 C ATOM 0 H VAL A 59 -1.604 1.455 -5.371 1.00 0.00 H new ATOM 0 HA VAL A 59 1.135 1.833 -5.347 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.180 1.443 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.995 -0.803 -2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.785 -0.174 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.502 -1.399 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.302 -0.166 -2.190 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.900 -0.726 -3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.212 0.945 -3.241 1.00 0.00 H new ATOM 896 N LEU A 60 0.210 -1.106 -6.537 1.00 0.00 N ATOM 897 CA LEU A 60 0.682 -2.263 -7.284 1.00 0.00 C ATOM 898 C LEU A 60 1.284 -1.831 -8.615 1.00 0.00 C ATOM 899 O LEU A 60 2.354 -2.299 -9.003 1.00 0.00 O ATOM 900 CB LEU A 60 -0.459 -3.252 -7.527 1.00 0.00 C ATOM 901 CG LEU A 60 -0.082 -4.473 -8.370 1.00 0.00 C ATOM 902 CD1 LEU A 60 0.358 -5.622 -7.477 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.250 -4.892 -9.251 1.00 0.00 C ATOM 0 H LEU A 60 -0.798 -1.081 -6.385 1.00 0.00 H new ATOM 0 HA LEU A 60 1.453 -2.756 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.835 -3.596 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.278 -2.727 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 60 0.754 -4.203 -9.015 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.622 -6.481 -8.093 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.224 -5.316 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.457 -5.894 -6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.965 -5.761 -9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.106 -5.144 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.517 -4.071 -9.916 1.00 0.00 H new ATOM 915 N SER A 61 0.593 -0.935 -9.312 1.00 0.00 N ATOM 916 CA SER A 61 1.068 -0.444 -10.599 1.00 0.00 C ATOM 917 C SER A 61 2.458 0.170 -10.467 1.00 0.00 C ATOM 918 O SER A 61 3.414 -0.303 -11.081 1.00 0.00 O ATOM 919 CB SER A 61 0.099 0.586 -11.170 1.00 0.00 C ATOM 920 OG SER A 61 -1.160 0.001 -11.456 1.00 0.00 O ATOM 0 H SER A 61 -0.295 -0.536 -9.008 1.00 0.00 H new ATOM 0 HA SER A 61 1.125 -1.292 -11.281 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.029 1.402 -10.459 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.517 1.018 -12.079 1.00 0.00 H new ATOM 0 HG SER A 61 -1.461 -0.521 -10.683 1.00 0.00 H new ATOM 926 N HIS A 62 2.569 1.222 -9.657 1.00 0.00 N ATOM 927 CA HIS A 62 3.850 1.886 -9.445 1.00 0.00 C ATOM 928 C HIS A 62 4.924 0.861 -9.104 1.00 0.00 C ATOM 929 O HIS A 62 6.055 0.946 -9.580 1.00 0.00 O ATOM 930 CB HIS A 62 3.737 2.923 -8.327 1.00 0.00 C ATOM 931 CG HIS A 62 3.068 4.191 -8.758 1.00 0.00 C ATOM 932 ND1 HIS A 62 2.244 4.269 -9.861 1.00 0.00 N ATOM 933 CD2 HIS A 62 3.108 5.438 -8.232 1.00 0.00 C ATOM 934 CE1 HIS A 62 1.806 5.508 -9.995 1.00 0.00 C ATOM 935 NE2 HIS A 62 2.315 6.237 -9.019 1.00 0.00 N ATOM 0 H HIS A 62 1.790 1.630 -9.140 1.00 0.00 H new ATOM 0 HA HIS A 62 4.131 2.398 -10.366 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.180 2.491 -7.496 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.735 3.156 -7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.660 5.747 -7.357 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.144 5.864 -10.771 1.00 0.00 H new ATOM 0 HE2 HIS A 62 2.147 7.232 -8.873 1.00 0.00 H new ATOM 944 N VAL A 63 4.546 -0.120 -8.294 1.00 0.00 N ATOM 945 CA VAL A 63 5.460 -1.183 -7.906 1.00 0.00 C ATOM 946 C VAL A 63 5.714 -2.104 -9.100 1.00 0.00 C ATOM 947 O VAL A 63 6.722 -1.969 -9.794 1.00 0.00 O ATOM 948 CB VAL A 63 4.896 -1.972 -6.711 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.680 -3.241 -6.429 1.00 0.00 C ATOM 950 CG2 VAL A 63 4.844 -1.092 -5.472 1.00 0.00 C ATOM 0 H VAL A 63 3.611 -0.200 -7.893 1.00 0.00 H new ATOM 0 HA VAL A 63 6.408 -0.744 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 63 3.884 -2.277 -6.978 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.240 -3.759 -5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.648 -3.890 -7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.716 -2.986 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.443 -1.665 -4.636 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.849 -0.748 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.203 -0.232 -5.663 1.00 0.00 H new ATOM 960 N ALA A 64 4.779 -3.017 -9.354 1.00 0.00 N ATOM 961 CA ALA A 64 4.878 -3.938 -10.488 1.00 0.00 C ATOM 962 C ALA A 64 6.029 -4.946 -10.350 1.00 0.00 C ATOM 963 O ALA A 64 6.166 -5.849 -11.176 1.00 0.00 O ATOM 964 CB ALA A 64 5.034 -3.150 -11.782 1.00 0.00 C ATOM 0 H ALA A 64 3.940 -3.140 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 64 3.954 -4.516 -10.505 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.107 -3.841 -12.622 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.169 -2.502 -11.920 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.938 -2.543 -11.732 1.00 0.00 H new ATOM 970 N ASN A 65 6.853 -4.789 -9.316 1.00 0.00 N ATOM 971 CA ASN A 65 7.992 -5.678 -9.080 1.00 0.00 C ATOM 972 C ASN A 65 8.811 -5.180 -7.893 1.00 0.00 C ATOM 973 O ASN A 65 9.017 -5.906 -6.920 1.00 0.00 O ATOM 974 CB ASN A 65 8.885 -5.761 -10.322 1.00 0.00 C ATOM 975 CG ASN A 65 9.575 -7.105 -10.447 1.00 0.00 C ATOM 976 OD1 ASN A 65 10.804 -7.184 -10.483 1.00 0.00 O ATOM 977 ND2 ASN A 65 8.787 -8.172 -10.515 1.00 0.00 N ATOM 0 H ASN A 65 6.753 -4.048 -8.622 1.00 0.00 H new ATOM 0 HA ASN A 65 7.605 -6.673 -8.861 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.283 -5.580 -11.212 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.636 -4.972 -10.280 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.195 -9.103 -10.601 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.774 -8.061 -10.482 1.00 0.00 H new ATOM 984 N VAL A 66 9.261 -3.926 -7.978 1.00 0.00 N ATOM 985 CA VAL A 66 10.042 -3.300 -6.910 1.00 0.00 C ATOM 986 C VAL A 66 11.103 -4.243 -6.336 1.00 0.00 C ATOM 987 O VAL A 66 11.513 -5.204 -6.986 1.00 0.00 O ATOM 988 CB VAL A 66 9.112 -2.809 -5.782 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.199 -1.716 -6.295 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.321 -3.968 -5.198 1.00 0.00 C ATOM 0 H VAL A 66 9.096 -3.321 -8.782 1.00 0.00 H new ATOM 0 HA VAL A 66 10.562 -2.450 -7.352 1.00 0.00 H new ATOM 0 HB VAL A 66 9.720 -2.390 -4.980 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.548 -1.378 -5.489 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.799 -0.879 -6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.592 -2.103 -7.114 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.671 -3.601 -4.404 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.716 -4.426 -5.980 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.009 -4.709 -4.791 1.00 0.00 H new ATOM 1000 N VAL A 67 11.532 -3.962 -5.108 1.00 0.00 N ATOM 1001 CA VAL A 67 12.529 -4.772 -4.428 1.00 0.00 C ATOM 1002 C VAL A 67 12.460 -4.480 -2.935 1.00 0.00 C ATOM 1003 O VAL A 67 13.094 -3.561 -2.419 1.00 0.00 O ATOM 1004 CB VAL A 67 13.960 -4.548 -4.992 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.703 -3.423 -4.282 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.753 -5.842 -4.920 1.00 0.00 C ATOM 0 H VAL A 67 11.197 -3.169 -4.561 1.00 0.00 H new ATOM 0 HA VAL A 67 12.306 -5.824 -4.604 1.00 0.00 H new ATOM 0 HB VAL A 67 13.854 -4.242 -6.033 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.696 -3.312 -4.717 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.149 -2.491 -4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 67 14.796 -3.660 -3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.755 -5.677 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 67 14.823 -6.169 -3.882 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.251 -6.610 -5.509 1.00 0.00 H new ATOM 1016 N LEU A 68 11.628 -5.244 -2.261 1.00 0.00 N ATOM 1017 CA LEU A 68 11.404 -5.056 -0.840 1.00 0.00 C ATOM 1018 C LEU A 68 12.352 -5.863 0.020 1.00 0.00 C ATOM 1019 O LEU A 68 12.282 -7.082 0.080 1.00 0.00 O ATOM 1020 CB LEU A 68 9.956 -5.378 -0.468 1.00 0.00 C ATOM 1021 CG LEU A 68 9.111 -6.051 -1.541 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.075 -6.971 -0.910 1.00 0.00 C ATOM 1023 CD2 LEU A 68 8.442 -5.008 -2.418 1.00 0.00 C ATOM 0 H LEU A 68 11.092 -6.006 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 68 11.604 -4.004 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.965 -6.021 0.412 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.464 -4.449 -0.179 1.00 0.00 H new ATOM 0 HG LEU A 68 9.765 -6.658 -2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.482 -7.442 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.580 -7.740 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.421 -6.390 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 68 7.842 -5.505 -3.180 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.800 -4.375 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.204 -4.394 -2.899 1.00 0.00 H new ATOM 1035 N THR A 69 13.218 -5.158 0.719 1.00 0.00 N ATOM 1036 CA THR A 69 14.163 -5.794 1.616 1.00 0.00 C ATOM 1037 C THR A 69 13.403 -6.517 2.722 1.00 0.00 C ATOM 1038 O THR A 69 12.178 -6.424 2.798 1.00 0.00 O ATOM 1039 CB THR A 69 15.114 -4.751 2.204 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.482 -4.024 3.244 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.607 -3.751 1.177 1.00 0.00 C ATOM 0 H THR A 69 13.287 -4.141 0.683 1.00 0.00 H new ATOM 0 HA THR A 69 14.757 -6.521 1.063 1.00 0.00 H new ATOM 0 HB THR A 69 15.967 -5.315 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.107 -3.363 3.608 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.278 -3.038 1.656 1.00 0.00 H new ATOM 0 HG22 THR A 69 16.141 -4.276 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.757 -3.219 0.750 1.00 0.00 H new ATOM 1049 N GLN A 70 14.122 -7.239 3.571 1.00 0.00 N ATOM 1050 CA GLN A 70 13.496 -7.980 4.666 1.00 0.00 C ATOM 1051 C GLN A 70 12.429 -7.140 5.372 1.00 0.00 C ATOM 1052 O GLN A 70 11.443 -7.674 5.892 1.00 0.00 O ATOM 1053 CB GLN A 70 14.557 -8.424 5.675 1.00 0.00 C ATOM 1054 CG GLN A 70 15.506 -7.311 6.087 1.00 0.00 C ATOM 1055 CD GLN A 70 14.959 -6.473 7.225 1.00 0.00 C ATOM 1056 OE1 GLN A 70 14.688 -5.284 7.062 1.00 0.00 O ATOM 1057 NE2 GLN A 70 14.793 -7.093 8.387 1.00 0.00 N ATOM 0 H GLN A 70 15.137 -7.329 3.526 1.00 0.00 H new ATOM 0 HA GLN A 70 13.010 -8.857 4.239 1.00 0.00 H new ATOM 0 HB2 GLN A 70 14.061 -8.815 6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.135 -9.243 5.246 1.00 0.00 H new ATOM 0 HG2 GLN A 70 16.461 -7.744 6.385 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.702 -6.669 5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 70 15.031 -8.081 8.477 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.427 -6.582 9.190 1.00 0.00 H new ATOM 1066 N GLU A 71 12.632 -5.825 5.380 1.00 0.00 N ATOM 1067 CA GLU A 71 11.696 -4.908 6.019 1.00 0.00 C ATOM 1068 C GLU A 71 10.334 -4.955 5.343 1.00 0.00 C ATOM 1069 O GLU A 71 9.344 -5.367 5.948 1.00 0.00 O ATOM 1070 CB GLU A 71 12.243 -3.478 5.976 1.00 0.00 C ATOM 1071 CG GLU A 71 12.015 -2.699 7.261 1.00 0.00 C ATOM 1072 CD GLU A 71 10.984 -1.598 7.101 1.00 0.00 C ATOM 1073 OE1 GLU A 71 11.273 -0.612 6.392 1.00 0.00 O ATOM 1074 OE2 GLU A 71 9.887 -1.723 7.684 1.00 0.00 O ATOM 0 H GLU A 71 13.438 -5.371 4.950 1.00 0.00 H new ATOM 0 HA GLU A 71 11.578 -5.220 7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.312 -3.513 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.775 -2.944 5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.691 -3.384 8.044 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.959 -2.263 7.589 1.00 0.00 H new ATOM 1081 N ASP A 72 10.290 -4.528 4.087 1.00 0.00 N ATOM 1082 CA ASP A 72 9.047 -4.515 3.333 1.00 0.00 C ATOM 1083 C ASP A 72 8.484 -5.922 3.163 1.00 0.00 C ATOM 1084 O ASP A 72 7.272 -6.106 3.065 1.00 0.00 O ATOM 1085 CB ASP A 72 9.249 -3.872 1.979 1.00 0.00 C ATOM 1086 CG ASP A 72 9.213 -2.358 2.036 1.00 0.00 C ATOM 1087 OD1 ASP A 72 9.035 -1.809 3.144 1.00 0.00 O ATOM 1088 OD2 ASP A 72 9.364 -1.721 0.972 1.00 0.00 O ATOM 0 H ASP A 72 11.101 -4.187 3.571 1.00 0.00 H new ATOM 0 HA ASP A 72 8.327 -3.926 3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.207 -4.193 1.569 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.476 -4.224 1.296 1.00 0.00 H new ATOM 1093 N THR A 73 9.359 -6.923 3.140 1.00 0.00 N ATOM 1094 CA THR A 73 8.905 -8.301 3.002 1.00 0.00 C ATOM 1095 C THR A 73 8.014 -8.645 4.193 1.00 0.00 C ATOM 1096 O THR A 73 6.821 -8.940 4.038 1.00 0.00 O ATOM 1097 CB THR A 73 10.099 -9.259 2.905 1.00 0.00 C ATOM 1098 OG1 THR A 73 10.257 -9.714 1.575 1.00 0.00 O ATOM 1099 CG2 THR A 73 9.979 -10.482 3.787 1.00 0.00 C ATOM 0 H THR A 73 10.370 -6.809 3.214 1.00 0.00 H new ATOM 0 HA THR A 73 8.331 -8.409 2.082 1.00 0.00 H new ATOM 0 HB THR A 73 10.957 -8.678 3.243 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.210 -9.742 1.350 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.862 -11.109 3.662 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.899 -10.173 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.090 -11.047 3.507 1.00 0.00 H new ATOM 1107 N ALA A 74 8.590 -8.556 5.394 1.00 0.00 N ATOM 1108 CA ALA A 74 7.829 -8.806 6.609 1.00 0.00 C ATOM 1109 C ALA A 74 6.661 -7.829 6.666 1.00 0.00 C ATOM 1110 O ALA A 74 5.604 -8.119 7.227 1.00 0.00 O ATOM 1111 CB ALA A 74 8.718 -8.664 7.836 1.00 0.00 C ATOM 0 H ALA A 74 9.570 -8.315 5.546 1.00 0.00 H new ATOM 0 HA ALA A 74 7.446 -9.826 6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.131 -8.855 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.536 -9.382 7.778 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.125 -7.653 7.876 1.00 0.00 H new ATOM 1117 N LYS A 75 6.874 -6.675 6.042 1.00 0.00 N ATOM 1118 CA LYS A 75 5.873 -5.624 5.955 1.00 0.00 C ATOM 1119 C LYS A 75 4.588 -6.170 5.326 1.00 0.00 C ATOM 1120 O LYS A 75 3.501 -6.039 5.894 1.00 0.00 O ATOM 1121 CB LYS A 75 6.448 -4.486 5.112 1.00 0.00 C ATOM 1122 CG LYS A 75 5.869 -3.112 5.386 1.00 0.00 C ATOM 1123 CD LYS A 75 6.757 -2.298 6.311 1.00 0.00 C ATOM 1124 CE LYS A 75 7.731 -1.429 5.531 1.00 0.00 C ATOM 1125 NZ LYS A 75 7.881 -0.077 6.138 1.00 0.00 N ATOM 0 H LYS A 75 7.753 -6.444 5.580 1.00 0.00 H new ATOM 0 HA LYS A 75 5.624 -5.255 6.950 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.525 -4.446 5.274 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.293 -4.723 4.059 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.739 -2.578 4.445 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.880 -3.217 5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.138 -1.668 6.950 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.312 -2.969 6.967 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.704 -1.919 5.493 1.00 0.00 H new ATOM 0 HE3 LYS A 75 7.384 -1.328 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.099 0.616 5.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.995 0.191 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.654 -0.092 6.833 1.00 0.00 H new ATOM 1139 N LEU A 76 4.726 -6.803 4.156 1.00 0.00 N ATOM 1140 CA LEU A 76 3.577 -7.386 3.465 1.00 0.00 C ATOM 1141 C LEU A 76 3.021 -8.554 4.260 1.00 0.00 C ATOM 1142 O LEU A 76 1.831 -8.591 4.575 1.00 0.00 O ATOM 1143 CB LEU A 76 3.951 -7.875 2.063 1.00 0.00 C ATOM 1144 CG LEU A 76 3.875 -6.815 0.965 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.144 -6.822 0.122 1.00 0.00 C ATOM 1146 CD2 LEU A 76 2.646 -7.043 0.094 1.00 0.00 C ATOM 0 H LEU A 76 5.616 -6.923 3.673 1.00 0.00 H new ATOM 0 HA LEU A 76 2.824 -6.603 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.965 -8.273 2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.292 -8.701 1.795 1.00 0.00 H new ATOM 0 HG LEU A 76 3.787 -5.835 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.070 -6.060 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 76 6.004 -6.610 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.268 -7.801 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.605 -6.281 -0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.705 -8.029 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.748 -6.983 0.709 1.00 0.00 H new ATOM 1158 N LEU A 77 3.888 -9.514 4.583 1.00 0.00 N ATOM 1159 CA LEU A 77 3.458 -10.682 5.344 1.00 0.00 C ATOM 1160 C LEU A 77 2.780 -10.251 6.643 1.00 0.00 C ATOM 1161 O LEU A 77 1.953 -10.977 7.193 1.00 0.00 O ATOM 1162 CB LEU A 77 4.641 -11.628 5.615 1.00 0.00 C ATOM 1163 CG LEU A 77 5.409 -11.406 6.925 1.00 0.00 C ATOM 1164 CD1 LEU A 77 4.613 -11.927 8.115 1.00 0.00 C ATOM 1165 CD2 LEU A 77 6.768 -12.088 6.860 1.00 0.00 C ATOM 0 H LEU A 77 4.877 -9.506 4.333 1.00 0.00 H new ATOM 0 HA LEU A 77 2.729 -11.233 4.750 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.268 -12.652 5.608 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.345 -11.540 4.788 1.00 0.00 H new ATOM 0 HG LEU A 77 5.558 -10.334 7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.177 -11.759 9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.660 -11.401 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.431 -12.995 7.992 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.303 -11.923 7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.631 -13.158 6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.345 -11.672 6.034 1.00 0.00 H new ATOM 1177 N GLN A 78 3.122 -9.056 7.117 1.00 0.00 N ATOM 1178 CA GLN A 78 2.531 -8.524 8.337 1.00 0.00 C ATOM 1179 C GLN A 78 1.112 -8.040 8.072 1.00 0.00 C ATOM 1180 O GLN A 78 0.150 -8.574 8.622 1.00 0.00 O ATOM 1181 CB GLN A 78 3.381 -7.378 8.891 1.00 0.00 C ATOM 1182 CG GLN A 78 4.393 -7.819 9.936 1.00 0.00 C ATOM 1183 CD GLN A 78 5.714 -7.085 9.817 1.00 0.00 C ATOM 1184 OE1 GLN A 78 6.722 -7.660 9.409 1.00 0.00 O ATOM 1185 NE2 GLN A 78 5.715 -5.805 10.173 1.00 0.00 N ATOM 0 H GLN A 78 3.804 -8.440 6.674 1.00 0.00 H new ATOM 0 HA GLN A 78 2.498 -9.323 9.078 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.908 -6.897 8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.723 -6.628 9.329 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.978 -7.653 10.930 1.00 0.00 H new ATOM 0 HG3 GLN A 78 4.567 -8.891 9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.856 -5.368 10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.575 -5.260 10.113 1.00 0.00 H new ATOM 1194 N SER A 79 0.989 -7.026 7.221 1.00 0.00 N ATOM 1195 CA SER A 79 -0.316 -6.466 6.879 1.00 0.00 C ATOM 1196 C SER A 79 -1.256 -7.535 6.324 1.00 0.00 C ATOM 1197 O SER A 79 -2.476 -7.377 6.362 1.00 0.00 O ATOM 1198 CB SER A 79 -0.158 -5.337 5.856 1.00 0.00 C ATOM 1199 OG SER A 79 1.191 -5.204 5.443 1.00 0.00 O ATOM 0 H SER A 79 1.776 -6.575 6.755 1.00 0.00 H new ATOM 0 HA SER A 79 -0.754 -6.069 7.795 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.788 -5.537 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.502 -4.398 6.290 1.00 0.00 H new ATOM 0 HG SER A 79 1.220 -4.871 4.522 1.00 0.00 H new ATOM 1205 N THR A 80 -0.685 -8.613 5.795 1.00 0.00 N ATOM 1206 CA THR A 80 -1.484 -9.690 5.219 1.00 0.00 C ATOM 1207 C THR A 80 -1.734 -10.813 6.223 1.00 0.00 C ATOM 1208 O THR A 80 -2.881 -11.137 6.529 1.00 0.00 O ATOM 1209 CB THR A 80 -0.791 -10.250 3.975 1.00 0.00 C ATOM 1210 OG1 THR A 80 -0.169 -9.213 3.237 1.00 0.00 O ATOM 1211 CG2 THR A 80 -1.735 -10.976 3.042 1.00 0.00 C ATOM 0 H THR A 80 0.323 -8.764 5.753 1.00 0.00 H new ATOM 0 HA THR A 80 -2.451 -9.270 4.943 1.00 0.00 H new ATOM 0 HB THR A 80 -0.056 -10.962 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.783 -9.172 3.468 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.180 -11.348 2.181 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.194 -11.813 3.568 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.512 -10.290 2.705 1.00 0.00 H new ATOM 1219 N VAL A 81 -0.658 -11.416 6.719 1.00 0.00 N ATOM 1220 CA VAL A 81 -0.769 -12.518 7.672 1.00 0.00 C ATOM 1221 C VAL A 81 -1.239 -12.050 9.049 1.00 0.00 C ATOM 1222 O VAL A 81 -1.505 -12.870 9.927 1.00 0.00 O ATOM 1223 CB VAL A 81 0.570 -13.266 7.832 1.00 0.00 C ATOM 1224 CG1 VAL A 81 0.364 -14.578 8.576 1.00 0.00 C ATOM 1225 CG2 VAL A 81 1.220 -13.510 6.475 1.00 0.00 C ATOM 0 H VAL A 81 0.300 -11.162 6.478 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.517 -13.194 7.258 1.00 0.00 H new ATOM 0 HB VAL A 81 1.242 -12.641 8.420 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.320 -15.092 8.679 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.047 -14.375 9.565 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.328 -15.208 8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.163 -14.039 6.613 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.554 -14.111 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.408 -12.555 5.985 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.340 -10.736 9.244 1.00 0.00 N ATOM 1236 CA LYS A 82 -1.780 -10.193 10.528 1.00 0.00 C ATOM 1237 C LYS A 82 -3.106 -10.814 10.960 1.00 0.00 C ATOM 1238 O LYS A 82 -3.144 -11.668 11.846 1.00 0.00 O ATOM 1239 CB LYS A 82 -1.917 -8.669 10.450 1.00 0.00 C ATOM 1240 CG LYS A 82 -0.836 -7.922 11.217 1.00 0.00 C ATOM 1241 CD LYS A 82 -0.760 -8.380 12.666 1.00 0.00 C ATOM 1242 CE LYS A 82 0.448 -9.272 12.910 1.00 0.00 C ATOM 1243 NZ LYS A 82 0.071 -10.550 13.575 1.00 0.00 N ATOM 0 H LYS A 82 -1.125 -10.033 8.536 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.023 -10.442 11.272 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.887 -8.363 9.404 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.893 -8.380 10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 82 0.128 -8.079 10.734 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.039 -6.852 11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.708 -7.510 13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.670 -8.921 12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.937 -9.488 11.960 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.172 -8.741 13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 0.710 -11.307 13.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.147 -10.440 14.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.908 -10.796 13.324 1.00 0.00 H new ATOM 1257 N HIS A 83 -4.191 -10.378 10.330 1.00 0.00 N ATOM 1258 CA HIS A 83 -5.519 -10.890 10.650 1.00 0.00 C ATOM 1259 C HIS A 83 -5.997 -11.867 9.580 1.00 0.00 C ATOM 1260 O HIS A 83 -7.137 -11.793 9.121 1.00 0.00 O ATOM 1261 CB HIS A 83 -6.514 -9.735 10.786 1.00 0.00 C ATOM 1262 CG HIS A 83 -5.973 -8.565 11.548 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -5.195 -8.699 12.679 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -6.098 -7.234 11.334 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -4.866 -7.501 13.129 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -5.401 -6.596 12.330 1.00 0.00 N ATOM 0 H HIS A 83 -4.177 -9.671 9.595 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.458 -11.421 11.600 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.812 -9.404 9.791 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.413 -10.098 11.284 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.644 -6.762 10.530 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -4.263 -7.297 14.001 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -5.311 -5.586 12.436 1.00 0.00 H new ATOM 1275 N ASN A 84 -5.117 -12.782 9.186 1.00 0.00 N ATOM 1276 CA ASN A 84 -5.450 -13.773 8.169 1.00 0.00 C ATOM 1277 C ASN A 84 -5.878 -13.092 6.873 1.00 0.00 C ATOM 1278 O ASN A 84 -7.012 -12.630 6.749 1.00 0.00 O ATOM 1279 CB ASN A 84 -6.564 -14.694 8.671 1.00 0.00 C ATOM 1280 CG ASN A 84 -6.191 -16.160 8.573 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -5.976 -16.827 9.585 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -6.112 -16.670 7.350 1.00 0.00 N ATOM 0 H ASN A 84 -4.169 -12.858 9.555 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.561 -14.370 7.969 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.794 -14.449 9.708 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.470 -14.513 8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -5.865 -17.651 7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.298 -16.081 6.539 1.00 0.00 H new ATOM 1289 N LEU A 85 -4.965 -13.031 5.911 1.00 0.00 N ATOM 1290 CA LEU A 85 -5.251 -12.403 4.627 1.00 0.00 C ATOM 1291 C LEU A 85 -4.496 -13.095 3.499 1.00 0.00 C ATOM 1292 O LEU A 85 -3.418 -13.652 3.707 1.00 0.00 O ATOM 1293 CB LEU A 85 -4.880 -10.919 4.668 1.00 0.00 C ATOM 1294 CG LEU A 85 -5.762 -10.005 3.816 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -5.601 -8.556 4.251 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -5.427 -10.162 2.338 1.00 0.00 C ATOM 0 H LEU A 85 -4.021 -13.408 5.996 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.320 -12.500 4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.923 -10.578 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.846 -10.810 4.339 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.802 -10.295 3.963 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -6.235 -7.919 3.635 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.892 -8.456 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.560 -8.254 4.134 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.065 -9.504 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.382 -9.899 2.172 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.594 -11.196 2.035 1.00 0.00 H new ATOM 1308 N ASN A 86 -5.070 -13.050 2.302 1.00 0.00 N ATOM 1309 CA ASN A 86 -4.458 -13.665 1.131 1.00 0.00 C ATOM 1310 C ASN A 86 -4.784 -12.859 -0.122 1.00 0.00 C ATOM 1311 O ASN A 86 -5.504 -13.322 -1.007 1.00 0.00 O ATOM 1312 CB ASN A 86 -4.935 -15.111 0.978 1.00 0.00 C ATOM 1313 CG ASN A 86 -3.862 -16.113 1.356 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -2.687 -15.766 1.480 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -4.261 -17.366 1.543 1.00 0.00 N ATOM 0 H ASN A 86 -5.962 -12.592 2.117 1.00 0.00 H new ATOM 0 HA ASN A 86 -3.376 -13.671 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -5.814 -15.270 1.603 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.242 -15.283 -0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.584 -18.084 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -5.245 -17.610 1.430 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.253 -11.643 -0.180 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.486 -10.753 -1.311 1.00 0.00 C ATOM 1324 C ASN A 87 -3.182 -10.451 -2.044 1.00 0.00 C ATOM 1325 O ASN A 87 -3.164 -10.273 -3.270 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.126 -9.450 -0.821 1.00 0.00 C ATOM 1327 CG ASN A 87 -5.382 -8.461 -1.941 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -5.073 -7.275 -1.820 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -5.952 -8.941 -3.038 1.00 0.00 N ATOM 0 H ASN A 87 -3.655 -11.250 0.547 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.162 -11.249 -2.008 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -6.068 -9.679 -0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.476 -8.989 -0.077 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.150 -8.321 -3.823 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -6.192 -9.931 -3.097 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.086 -10.381 -1.294 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.801 -10.088 -1.892 1.00 0.00 C ATOM 1338 C TYR A 88 0.090 -11.323 -1.930 1.00 0.00 C ATOM 1339 O TYR A 88 0.111 -12.119 -0.990 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.122 -8.942 -1.139 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.451 -7.589 -1.724 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.768 -7.157 -1.821 1.00 0.00 C ATOM 1343 CD2 TYR A 88 0.548 -6.760 -2.212 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.078 -5.937 -2.391 1.00 0.00 C ATOM 1345 CE2 TYR A 88 0.248 -5.537 -2.777 1.00 0.00 C ATOM 1346 CZ TYR A 88 -1.066 -5.132 -2.868 1.00 0.00 C ATOM 1347 OH TYR A 88 -1.369 -3.921 -3.447 1.00 0.00 O ATOM 0 H TYR A 88 -2.067 -10.522 -0.284 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.966 -9.778 -2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.429 -8.966 -0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.958 -9.089 -1.157 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.562 -7.785 -1.445 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.579 -7.077 -2.149 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.107 -5.616 -2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.039 -4.901 -3.146 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.206 -3.578 -3.069 1.00 0.00 H new ATOM 1357 N ASP A 89 0.821 -11.476 -3.032 1.00 0.00 N ATOM 1358 CA ASP A 89 1.706 -12.601 -3.217 1.00 0.00 C ATOM 1359 C ASP A 89 3.155 -12.112 -3.123 1.00 0.00 C ATOM 1360 O ASP A 89 3.469 -10.979 -3.498 1.00 0.00 O ATOM 1361 CB ASP A 89 1.364 -13.249 -4.564 1.00 0.00 C ATOM 1362 CG ASP A 89 2.547 -13.884 -5.276 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.483 -14.343 -4.590 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.526 -13.938 -6.523 1.00 0.00 O ATOM 0 H ASP A 89 0.810 -10.821 -3.814 1.00 0.00 H new ATOM 0 HA ASP A 89 1.583 -13.360 -2.444 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.601 -14.011 -4.403 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.927 -12.493 -5.216 1.00 0.00 H new ATOM 1369 N LEU A 90 4.025 -12.940 -2.578 1.00 0.00 N ATOM 1370 CA LEU A 90 5.417 -12.531 -2.394 1.00 0.00 C ATOM 1371 C LEU A 90 6.439 -13.568 -2.862 1.00 0.00 C ATOM 1372 O LEU A 90 6.234 -14.778 -2.765 1.00 0.00 O ATOM 1373 CB LEU A 90 5.675 -12.201 -0.916 1.00 0.00 C ATOM 1374 CG LEU A 90 5.382 -10.757 -0.489 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.052 -10.700 0.998 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.567 -9.854 -0.812 1.00 0.00 C ATOM 0 H LEU A 90 3.806 -13.883 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 90 5.554 -11.651 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.070 -12.870 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.719 -12.421 -0.692 1.00 0.00 H new ATOM 0 HG LEU A 90 4.517 -10.399 -1.047 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.847 -9.669 1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.175 -11.315 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.898 -11.075 1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.342 -8.833 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.450 -10.208 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.758 -9.874 -1.885 1.00 0.00 H new ATOM 1388 N ARG A 91 7.568 -13.037 -3.323 1.00 0.00 N ATOM 1389 CA ARG A 91 8.722 -13.807 -3.778 1.00 0.00 C ATOM 1390 C ARG A 91 9.943 -12.979 -3.405 1.00 0.00 C ATOM 1391 O ARG A 91 10.172 -11.925 -3.990 1.00 0.00 O ATOM 1392 CB ARG A 91 8.663 -14.047 -5.289 1.00 0.00 C ATOM 1393 CG ARG A 91 9.689 -15.056 -5.785 1.00 0.00 C ATOM 1394 CD ARG A 91 9.066 -16.086 -6.715 1.00 0.00 C ATOM 1395 NE ARG A 91 8.290 -15.464 -7.786 1.00 0.00 N ATOM 1396 CZ ARG A 91 7.795 -16.133 -8.827 1.00 0.00 C ATOM 1397 NH1 ARG A 91 8.009 -17.437 -8.952 1.00 0.00 N ATOM 1398 NH2 ARG A 91 7.087 -15.494 -9.748 1.00 0.00 N ATOM 0 H ARG A 91 7.709 -12.029 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 91 8.751 -14.793 -3.314 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.665 -14.395 -5.555 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.818 -13.100 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.490 -14.533 -6.307 1.00 0.00 H new ATOM 0 HG3 ARG A 91 10.142 -15.563 -4.933 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.852 -16.703 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.421 -16.750 -6.139 1.00 0.00 H new ATOM 0 HE ARG A 91 8.117 -14.460 -7.734 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.556 -17.934 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.627 -17.942 -9.751 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.922 -14.491 -9.659 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.708 -16.005 -10.545 1.00 0.00 H new ATOM 1412 N SER A 92 10.665 -13.383 -2.367 1.00 0.00 N ATOM 1413 CA SER A 92 11.769 -12.559 -1.883 1.00 0.00 C ATOM 1414 C SER A 92 13.167 -13.022 -2.258 1.00 0.00 C ATOM 1415 O SER A 92 13.415 -14.159 -2.659 1.00 0.00 O ATOM 1416 CB SER A 92 11.690 -12.435 -0.356 1.00 0.00 C ATOM 1417 OG SER A 92 12.963 -12.608 0.250 1.00 0.00 O ATOM 0 H SER A 92 10.514 -14.252 -1.855 1.00 0.00 H new ATOM 0 HA SER A 92 11.633 -11.603 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.290 -11.456 -0.090 1.00 0.00 H new ATOM 0 HB3 SER A 92 10.996 -13.180 0.035 1.00 0.00 H new ATOM 0 HG SER A 92 13.031 -13.515 0.614 1.00 0.00 H new ATOM 1423 N VAL A 93 14.067 -12.068 -2.051 1.00 0.00 N ATOM 1424 CA VAL A 93 15.494 -12.199 -2.260 1.00 0.00 C ATOM 1425 C VAL A 93 16.168 -11.897 -0.921 1.00 0.00 C ATOM 1426 O VAL A 93 17.127 -11.116 -0.803 1.00 0.00 O ATOM 1427 CB VAL A 93 16.000 -11.194 -3.274 1.00 0.00 C ATOM 1428 CG1 VAL A 93 17.052 -11.811 -4.182 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.862 -10.597 -4.092 1.00 0.00 C ATOM 0 H VAL A 93 13.804 -11.141 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 93 15.716 -13.200 -2.629 1.00 0.00 H new ATOM 0 HB VAL A 93 16.467 -10.382 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 93 17.396 -11.066 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 93 17.895 -12.154 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.620 -12.657 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.265 -9.881 -4.808 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.343 -11.392 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 93 14.163 -10.090 -3.427 1.00 0.00 H new ATOM 1439 N GLY A 94 15.547 -12.475 0.070 1.00 0.00 N ATOM 1440 CA GLY A 94 15.889 -12.344 1.457 1.00 0.00 C ATOM 1441 C GLY A 94 17.314 -11.981 1.720 1.00 0.00 C ATOM 1442 O GLY A 94 18.230 -12.359 0.990 1.00 0.00 O ATOM 0 H GLY A 94 14.743 -13.085 -0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.247 -11.585 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 94 15.670 -13.285 1.961 1.00 0.00 H new ATOM 1446 N ASN A 95 17.477 -11.243 2.787 1.00 0.00 N ATOM 1447 CA ASN A 95 18.764 -10.789 3.221 1.00 0.00 C ATOM 1448 C ASN A 95 19.262 -9.660 2.338 1.00 0.00 C ATOM 1449 O ASN A 95 20.465 -9.497 2.139 1.00 0.00 O ATOM 1450 CB ASN A 95 19.776 -11.937 3.262 1.00 0.00 C ATOM 1451 CG ASN A 95 20.399 -12.105 4.634 1.00 0.00 C ATOM 1452 OD1 ASN A 95 21.609 -12.298 4.759 1.00 0.00 O ATOM 1453 ND2 ASN A 95 19.575 -12.031 5.674 1.00 0.00 N ATOM 0 H ASN A 95 16.708 -10.939 3.384 1.00 0.00 H new ATOM 0 HA ASN A 95 18.657 -10.407 4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 95 19.282 -12.865 2.974 1.00 0.00 H new ATOM 0 HB3 ASN A 95 20.561 -11.753 2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.939 -12.135 6.621 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.579 -11.870 5.525 1.00 0.00 H new ATOM 1460 N GLY A 96 18.327 -8.876 1.813 1.00 0.00 N ATOM 1461 CA GLY A 96 18.702 -7.770 0.963 1.00 0.00 C ATOM 1462 C GLY A 96 17.553 -7.218 0.143 1.00 0.00 C ATOM 1463 O GLY A 96 17.470 -6.006 -0.060 1.00 0.00 O ATOM 0 H GLY A 96 17.324 -8.988 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.113 -6.971 1.580 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.496 -8.093 0.289 1.00 0.00 H new ATOM 1467 N ASN A 97 16.678 -8.088 -0.366 1.00 0.00 N ATOM 1468 CA ASN A 97 15.579 -7.623 -1.192 1.00 0.00 C ATOM 1469 C ASN A 97 14.508 -8.671 -1.343 1.00 0.00 C ATOM 1470 O ASN A 97 14.700 -9.830 -1.006 1.00 0.00 O ATOM 1471 CB ASN A 97 16.054 -7.227 -2.581 1.00 0.00 C ATOM 1472 CG ASN A 97 17.545 -7.432 -2.818 1.00 0.00 C ATOM 1473 OD1 ASN A 97 18.055 -8.612 -2.482 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 18.232 -6.533 -3.303 1.00 0.00 N flip ATOM 0 H ASN A 97 16.712 -9.097 -0.221 1.00 0.00 H new ATOM 0 HA ASN A 97 15.167 -6.753 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.498 -7.804 -3.320 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.813 -6.177 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.804 -5.640 -3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 97 19.229 -6.681 -3.460 1.00 0.00 H new ATOM 1481 N SER A 98 13.378 -8.241 -1.871 1.00 0.00 N ATOM 1482 CA SER A 98 12.269 -9.122 -2.105 1.00 0.00 C ATOM 1483 C SER A 98 11.418 -8.580 -3.235 1.00 0.00 C ATOM 1484 O SER A 98 11.221 -7.378 -3.365 1.00 0.00 O ATOM 1485 CB SER A 98 11.443 -9.299 -0.842 1.00 0.00 C ATOM 1486 OG SER A 98 12.278 -9.479 0.291 1.00 0.00 O ATOM 0 H SER A 98 13.211 -7.273 -2.146 1.00 0.00 H new ATOM 0 HA SER A 98 12.651 -10.102 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.807 -8.426 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.783 -10.160 -0.952 1.00 0.00 H new ATOM 0 HG SER A 98 12.490 -8.606 0.683 1.00 0.00 H new ATOM 1492 N VAL A 99 10.933 -9.476 -4.058 1.00 0.00 N ATOM 1493 CA VAL A 99 10.112 -9.106 -5.189 1.00 0.00 C ATOM 1494 C VAL A 99 8.658 -9.443 -4.893 1.00 0.00 C ATOM 1495 O VAL A 99 8.333 -10.586 -4.564 1.00 0.00 O ATOM 1496 CB VAL A 99 10.597 -9.844 -6.449 1.00 0.00 C ATOM 1497 CG1 VAL A 99 9.678 -9.597 -7.633 1.00 0.00 C ATOM 1498 CG2 VAL A 99 12.023 -9.430 -6.783 1.00 0.00 C ATOM 0 H VAL A 99 11.094 -10.479 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 99 10.193 -8.034 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 99 10.577 -10.913 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.054 -10.135 -8.504 1.00 0.00 H new ATOM 0 HG12 VAL A 99 8.674 -9.949 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 99 9.646 -8.530 -7.852 1.00 0.00 H new ATOM 0 HG21 VAL A 99 12.356 -9.959 -7.676 1.00 0.00 H new ATOM 0 HG22 VAL A 99 12.057 -8.356 -6.963 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.679 -9.679 -5.949 1.00 0.00 H new ATOM 1508 N LEU A 100 7.781 -8.447 -4.966 1.00 0.00 N ATOM 1509 CA LEU A 100 6.384 -8.689 -4.654 1.00 0.00 C ATOM 1510 C LEU A 100 5.515 -8.793 -5.891 1.00 0.00 C ATOM 1511 O LEU A 100 5.553 -7.952 -6.790 1.00 0.00 O ATOM 1512 CB LEU A 100 5.836 -7.608 -3.710 1.00 0.00 C ATOM 1513 CG LEU A 100 4.812 -6.613 -4.297 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.416 -6.892 -3.753 1.00 0.00 C ATOM 1515 CD2 LEU A 100 5.230 -5.183 -3.987 1.00 0.00 C ATOM 0 H LEU A 100 8.008 -7.489 -5.232 1.00 0.00 H new ATOM 0 HA LEU A 100 6.345 -9.656 -4.152 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.373 -8.106 -2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.680 -7.036 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 100 4.787 -6.742 -5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.710 -6.179 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.116 -7.905 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.422 -6.792 -2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.499 -4.491 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.282 -5.045 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.209 -4.987 -4.425 1.00 0.00 H new ATOM 1527 N VAL A 101 4.691 -9.818 -5.876 1.00 0.00 N ATOM 1528 CA VAL A 101 3.729 -10.067 -6.922 1.00 0.00 C ATOM 1529 C VAL A 101 2.404 -10.217 -6.206 1.00 0.00 C ATOM 1530 O VAL A 101 2.258 -11.064 -5.336 1.00 0.00 O ATOM 1531 CB VAL A 101 4.070 -11.328 -7.752 1.00 0.00 C ATOM 1532 CG1 VAL A 101 4.731 -12.387 -6.884 1.00 0.00 C ATOM 1533 CG2 VAL A 101 2.833 -11.888 -8.441 1.00 0.00 C ATOM 0 H VAL A 101 4.672 -10.510 -5.126 1.00 0.00 H new ATOM 0 HA VAL A 101 3.716 -9.254 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 101 4.778 -11.033 -8.527 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.961 -13.263 -7.490 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.652 -11.987 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.054 -12.671 -6.078 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.106 -12.773 -9.016 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.089 -12.158 -7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.417 -11.135 -9.110 1.00 0.00 H new ATOM 1543 N SER A 102 1.467 -9.346 -6.473 1.00 0.00 N ATOM 1544 CA SER A 102 0.238 -9.403 -5.722 1.00 0.00 C ATOM 1545 C SER A 102 -0.980 -9.011 -6.505 1.00 0.00 C ATOM 1546 O SER A 102 -0.897 -8.362 -7.547 1.00 0.00 O ATOM 1547 CB SER A 102 0.364 -8.469 -4.522 1.00 0.00 C ATOM 1548 OG SER A 102 -0.820 -7.707 -4.337 1.00 0.00 O ATOM 0 H SER A 102 1.524 -8.612 -7.179 1.00 0.00 H new ATOM 0 HA SER A 102 0.098 -10.444 -5.430 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.568 -9.052 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 102 1.212 -7.799 -4.667 1.00 0.00 H new ATOM 0 HG SER A 102 -0.771 -7.228 -3.483 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.114 -9.366 -5.907 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.434 -9.042 -6.400 1.00 0.00 C ATOM 1556 C LEU A 103 -4.318 -10.262 -6.553 1.00 0.00 C ATOM 1557 O LEU A 103 -4.653 -10.680 -7.662 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.443 -8.208 -7.686 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.548 -6.694 -7.468 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.006 -6.268 -7.400 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -2.812 -6.273 -6.199 1.00 0.00 C ATOM 0 H LEU A 103 -2.132 -9.903 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.855 -8.409 -5.619 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.531 -8.418 -8.245 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.279 -8.531 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.077 -6.196 -8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.063 -5.191 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.505 -6.527 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.497 -6.780 -6.572 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.902 -5.195 -6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.249 -6.781 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.759 -6.542 -6.283 1.00 0.00 H new ATOM 1573 N ARG A 104 -4.738 -10.784 -5.418 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.644 -11.912 -5.374 1.00 0.00 C ATOM 1575 C ARG A 104 -7.079 -11.373 -5.378 1.00 0.00 C ATOM 1576 O ARG A 104 -8.053 -12.122 -5.458 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.355 -12.737 -4.118 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.894 -14.157 -4.405 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.755 -14.187 -5.415 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.522 -14.725 -4.840 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.224 -16.022 -4.801 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.076 -16.923 -5.275 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.072 -16.421 -4.280 1.00 0.00 N ATOM 0 H ARG A 104 -4.460 -10.437 -4.500 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.511 -12.562 -6.239 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.590 -12.229 -3.530 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.256 -12.775 -3.505 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.570 -14.629 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.732 -14.742 -4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -4.048 -14.792 -6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.572 -13.178 -5.784 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.850 -14.067 -4.445 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.966 -16.623 -5.673 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.840 -17.915 -5.242 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.415 -15.734 -3.909 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.843 -17.414 -4.250 1.00 0.00 H new ATOM 1597 N SER A 105 -7.157 -10.040 -5.307 1.00 0.00 N ATOM 1598 CA SER A 105 -8.401 -9.277 -5.309 1.00 0.00 C ATOM 1599 C SER A 105 -8.028 -7.794 -5.321 1.00 0.00 C ATOM 1600 O SER A 105 -6.846 -7.467 -5.210 1.00 0.00 O ATOM 1601 CB SER A 105 -9.257 -9.616 -4.087 1.00 0.00 C ATOM 1602 OG SER A 105 -9.649 -10.977 -4.091 1.00 0.00 O ATOM 0 H SER A 105 -6.329 -9.448 -5.245 1.00 0.00 H new ATOM 0 HA SER A 105 -8.996 -9.527 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.697 -9.400 -3.177 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.143 -8.981 -4.074 1.00 0.00 H new ATOM 0 HG SER A 105 -9.414 -11.383 -4.951 1.00 0.00 H new ATOM 1608 N ASP A 106 -8.992 -6.889 -5.468 1.00 0.00 N ATOM 1609 CA ASP A 106 -8.648 -5.465 -5.504 1.00 0.00 C ATOM 1610 C ASP A 106 -9.002 -4.750 -4.203 1.00 0.00 C ATOM 1611 O ASP A 106 -10.157 -4.406 -3.961 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.353 -4.782 -6.679 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.375 -4.141 -7.644 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.227 -3.871 -7.233 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -8.757 -3.909 -8.810 1.00 0.00 O ATOM 0 H ASP A 106 -9.985 -7.102 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.568 -5.398 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.958 -5.515 -7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.035 -4.022 -6.298 1.00 0.00 H new ATOM 1620 N GLN A 107 -7.980 -4.505 -3.383 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.147 -3.801 -2.120 1.00 0.00 C ATOM 1622 C GLN A 107 -6.790 -3.420 -1.541 1.00 0.00 C ATOM 1623 O GLN A 107 -5.763 -3.947 -1.971 1.00 0.00 O ATOM 1624 CB GLN A 107 -8.945 -4.648 -1.142 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.296 -4.044 -0.816 1.00 0.00 C ATOM 1626 CD GLN A 107 -10.831 -4.470 0.527 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.951 -5.657 0.824 1.00 0.00 O ATOM 1628 NE2 GLN A 107 -11.137 -3.486 1.350 1.00 0.00 N ATOM 0 H GLN A 107 -7.020 -4.789 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.705 -2.882 -2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.088 -5.644 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.374 -4.769 -0.222 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -10.215 -2.957 -0.839 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -11.009 -4.327 -1.590 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.018 -2.517 1.053 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -11.492 -3.694 2.283 1.00 0.00 H new ATOM 1637 N MET A 108 -6.775 -2.522 -0.561 1.00 0.00 N ATOM 1638 CA MET A 108 -5.514 -2.120 0.051 1.00 0.00 C ATOM 1639 C MET A 108 -5.679 -1.442 1.405 1.00 0.00 C ATOM 1640 O MET A 108 -6.671 -0.764 1.664 1.00 0.00 O ATOM 1641 CB MET A 108 -4.730 -1.201 -0.871 1.00 0.00 C ATOM 1642 CG MET A 108 -3.260 -1.360 -0.663 1.00 0.00 C ATOM 1643 SD MET A 108 -2.745 -3.017 -1.101 1.00 0.00 S ATOM 1644 CE MET A 108 -1.005 -2.759 -1.058 1.00 0.00 C ATOM 0 H MET A 108 -7.604 -2.067 -0.180 1.00 0.00 H new ATOM 0 HA MET A 108 -4.966 -3.048 0.216 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.980 -1.422 -1.909 1.00 0.00 H new ATOM 0 HB3 MET A 108 -5.017 -0.165 -0.688 1.00 0.00 H new ATOM 0 HG2 MET A 108 -2.720 -0.632 -1.268 1.00 0.00 H new ATOM 0 HG3 MET A 108 -3.009 -1.157 0.378 1.00 0.00 H new ATOM 0 HE1 MET A 108 -0.509 -3.676 -0.741 1.00 0.00 H new ATOM 0 HE2 MET A 108 -0.654 -2.481 -2.052 1.00 0.00 H new ATOM 0 HE3 MET A 108 -0.773 -1.959 -0.355 1.00 0.00 H new ATOM 1654 N THR A 109 -4.661 -1.623 2.250 1.00 0.00 N ATOM 1655 CA THR A 109 -4.630 -1.028 3.580 1.00 0.00 C ATOM 1656 C THR A 109 -3.460 -0.052 3.688 1.00 0.00 C ATOM 1657 O THR A 109 -2.554 -0.068 2.853 1.00 0.00 O ATOM 1658 CB THR A 109 -4.498 -2.106 4.662 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.824 -3.247 4.162 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.827 -2.562 5.221 1.00 0.00 C ATOM 0 H THR A 109 -3.839 -2.185 2.028 1.00 0.00 H new ATOM 0 HA THR A 109 -5.568 -0.495 3.734 1.00 0.00 H new ATOM 0 HB THR A 109 -3.929 -1.636 5.464 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.481 -3.914 3.873 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.659 -3.325 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.345 -1.713 5.667 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.436 -2.977 4.418 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.469 0.791 4.719 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.389 1.757 4.917 1.00 0.00 C ATOM 1670 C LEU A 110 -1.034 1.053 4.879 1.00 0.00 C ATOM 1671 O LEU A 110 -0.179 1.370 4.046 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.562 2.504 6.254 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.000 3.979 6.171 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -1.839 4.903 6.511 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -3.558 4.311 4.805 1.00 0.00 C ATOM 0 H LEU A 110 -4.205 0.826 5.425 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.431 2.486 4.108 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.296 1.964 6.853 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.616 2.460 6.793 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.793 4.132 6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.168 5.940 6.447 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.492 4.694 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.024 4.737 5.807 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.858 5.359 4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -2.795 4.133 4.047 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.424 3.681 4.603 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.842 0.092 5.783 1.00 0.00 N ATOM 1688 CA GLN A 111 0.412 -0.657 5.842 1.00 0.00 C ATOM 1689 C GLN A 111 0.811 -1.154 4.453 1.00 0.00 C ATOM 1690 O GLN A 111 1.821 -0.727 3.897 1.00 0.00 O ATOM 1691 CB GLN A 111 0.285 -1.839 6.811 1.00 0.00 C ATOM 1692 CG GLN A 111 1.452 -2.818 6.752 1.00 0.00 C ATOM 1693 CD GLN A 111 2.677 -2.326 7.497 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.367 -1.347 6.925 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 3.000 -2.821 8.577 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.534 -0.184 6.480 1.00 0.00 H new ATOM 0 HA GLN A 111 1.191 0.012 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 111 0.198 -1.455 7.827 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.638 -2.376 6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.138 -3.774 7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.716 -2.998 5.710 1.00 0.00 H new ATOM 0 HE21 GLN A 111 2.441 -3.572 8.981 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.827 -2.480 9.068 1.00 0.00 H new ATOM 1704 N ASP A 112 0.000 -2.055 3.898 1.00 0.00 N ATOM 1705 CA ASP A 112 0.250 -2.617 2.569 1.00 0.00 C ATOM 1706 C ASP A 112 0.709 -1.539 1.591 1.00 0.00 C ATOM 1707 O ASP A 112 1.765 -1.657 0.950 1.00 0.00 O ATOM 1708 CB ASP A 112 -1.019 -3.298 2.049 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.726 -4.600 1.331 1.00 0.00 C ATOM 1710 OD1 ASP A 112 0.436 -4.801 0.918 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -1.657 -5.419 1.179 1.00 0.00 O ATOM 0 H ASP A 112 -0.841 -2.413 4.351 1.00 0.00 H new ATOM 0 HA ASP A 112 1.048 -3.354 2.652 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.692 -3.491 2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -1.539 -2.621 1.370 1.00 0.00 H new ATOM 1716 N ALA A 113 -0.091 -0.484 1.490 1.00 0.00 N ATOM 1717 CA ALA A 113 0.213 0.629 0.605 1.00 0.00 C ATOM 1718 C ALA A 113 1.656 1.090 0.774 1.00 0.00 C ATOM 1719 O ALA A 113 2.457 0.993 -0.155 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.744 1.780 0.864 1.00 0.00 C ATOM 0 H ALA A 113 -0.960 -0.378 2.014 1.00 0.00 H new ATOM 0 HA ALA A 113 0.089 0.289 -0.423 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.507 2.608 0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.767 1.450 0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.646 2.109 1.898 1.00 0.00 H new ATOM 1726 N LYS A 114 1.985 1.594 1.961 1.00 0.00 N ATOM 1727 CA LYS A 114 3.339 2.071 2.225 1.00 0.00 C ATOM 1728 C LYS A 114 4.362 0.948 2.068 1.00 0.00 C ATOM 1729 O LYS A 114 5.532 1.207 1.789 1.00 0.00 O ATOM 1730 CB LYS A 114 3.427 2.722 3.621 1.00 0.00 C ATOM 1731 CG LYS A 114 4.106 1.880 4.702 1.00 0.00 C ATOM 1732 CD LYS A 114 3.116 1.411 5.752 1.00 0.00 C ATOM 1733 CE LYS A 114 2.407 2.567 6.420 1.00 0.00 C ATOM 1734 NZ LYS A 114 1.047 2.786 5.861 1.00 0.00 N ATOM 0 H LYS A 114 1.341 1.682 2.747 1.00 0.00 H new ATOM 0 HA LYS A 114 3.578 2.834 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 114 3.966 3.665 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.417 2.963 3.954 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.586 1.016 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.892 2.465 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.380 0.754 5.288 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.639 0.822 6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.332 2.376 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 114 2.999 3.474 6.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 0.874 3.806 5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 0.976 2.327 4.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.338 2.378 6.503 1.00 0.00 H new ATOM 1748 N VAL A 115 3.926 -0.298 2.245 1.00 0.00 N ATOM 1749 CA VAL A 115 4.833 -1.433 2.115 1.00 0.00 C ATOM 1750 C VAL A 115 5.429 -1.498 0.714 1.00 0.00 C ATOM 1751 O VAL A 115 6.646 -1.330 0.515 1.00 0.00 O ATOM 1752 CB VAL A 115 4.123 -2.775 2.393 1.00 0.00 C ATOM 1753 CG1 VAL A 115 5.078 -3.939 2.180 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.539 -2.813 3.792 1.00 0.00 C ATOM 0 H VAL A 115 2.963 -0.544 2.476 1.00 0.00 H new ATOM 0 HA VAL A 115 5.619 -1.281 2.855 1.00 0.00 H new ATOM 0 HB VAL A 115 3.298 -2.868 1.686 1.00 0.00 H new ATOM 0 HG11 VAL A 115 4.559 -4.876 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 115 5.433 -3.934 1.150 1.00 0.00 H new ATOM 0 HG13 VAL A 115 5.927 -3.842 2.857 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.046 -3.772 3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 115 4.337 -2.687 4.523 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.813 -2.008 3.905 1.00 0.00 H new ATOM 1764 N LEU A 116 4.567 -1.743 -0.266 1.00 0.00 N ATOM 1765 CA LEU A 116 5.028 -1.839 -1.637 1.00 0.00 C ATOM 1766 C LEU A 116 5.562 -0.510 -2.105 1.00 0.00 C ATOM 1767 O LEU A 116 6.537 -0.466 -2.831 1.00 0.00 O ATOM 1768 CB LEU A 116 3.919 -2.302 -2.571 1.00 0.00 C ATOM 1769 CG LEU A 116 3.141 -3.548 -2.139 1.00 0.00 C ATOM 1770 CD1 LEU A 116 3.905 -4.374 -1.113 1.00 0.00 C ATOM 1771 CD2 LEU A 116 1.784 -3.149 -1.595 1.00 0.00 C ATOM 0 H LEU A 116 3.564 -1.876 -0.137 1.00 0.00 H new ATOM 0 HA LEU A 116 5.826 -2.581 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.211 -1.482 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.356 -2.495 -3.551 1.00 0.00 H new ATOM 0 HG LEU A 116 3.007 -4.176 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 116 3.314 -5.247 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.854 -4.698 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.094 -3.769 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.237 -4.041 -1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.916 -2.493 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.222 -2.626 -2.368 1.00 0.00 H new ATOM 1783 N LEU A 117 4.922 0.571 -1.683 1.00 0.00 N ATOM 1784 CA LEU A 117 5.370 1.900 -2.071 1.00 0.00 C ATOM 1785 C LEU A 117 6.706 2.208 -1.444 1.00 0.00 C ATOM 1786 O LEU A 117 7.486 2.989 -1.981 1.00 0.00 O ATOM 1787 CB LEU A 117 4.351 2.965 -1.694 1.00 0.00 C ATOM 1788 CG LEU A 117 3.484 3.423 -2.858 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.041 2.985 -2.662 1.00 0.00 C ATOM 1790 CD2 LEU A 117 3.564 4.929 -3.024 1.00 0.00 C ATOM 0 H LEU A 117 4.100 0.555 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 117 5.477 1.910 -3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.708 2.576 -0.905 1.00 0.00 H new ATOM 0 HB3 LEU A 117 4.875 3.827 -1.282 1.00 0.00 H new ATOM 0 HG LEU A 117 3.862 2.955 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.440 3.323 -3.506 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.996 1.898 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.651 3.419 -1.742 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.937 5.237 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.216 5.415 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 117 4.597 5.219 -3.218 1.00 0.00 H new ATOM 1802 N GLU A 118 6.995 1.551 -0.336 1.00 0.00 N ATOM 1803 CA GLU A 118 8.275 1.728 0.307 1.00 0.00 C ATOM 1804 C GLU A 118 9.294 1.132 -0.627 1.00 0.00 C ATOM 1805 O GLU A 118 10.268 1.778 -1.010 1.00 0.00 O ATOM 1806 CB GLU A 118 8.322 1.038 1.672 1.00 0.00 C ATOM 1807 CG GLU A 118 9.684 1.117 2.344 1.00 0.00 C ATOM 1808 CD GLU A 118 9.671 1.983 3.588 1.00 0.00 C ATOM 1809 OE1 GLU A 118 8.830 1.733 4.477 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.501 2.912 3.673 1.00 0.00 O ATOM 0 H GLU A 118 6.366 0.898 0.130 1.00 0.00 H new ATOM 0 HA GLU A 118 8.470 2.784 0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.576 1.491 2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.045 -0.009 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.013 0.112 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.412 1.515 1.637 1.00 0.00 H new ATOM 1817 N ALA A 119 9.008 -0.098 -1.043 1.00 0.00 N ATOM 1818 CA ALA A 119 9.861 -0.786 -1.993 1.00 0.00 C ATOM 1819 C ALA A 119 9.759 -0.134 -3.367 1.00 0.00 C ATOM 1820 O ALA A 119 10.670 -0.238 -4.190 1.00 0.00 O ATOM 1821 CB ALA A 119 9.493 -2.256 -2.072 1.00 0.00 C ATOM 0 H ALA A 119 8.195 -0.633 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 119 10.893 -0.709 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.144 -2.756 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.615 -2.715 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.456 -2.355 -2.392 1.00 0.00 H new ATOM 1827 N ALA A 120 8.638 0.538 -3.605 1.00 0.00 N ATOM 1828 CA ALA A 120 8.395 1.205 -4.868 1.00 0.00 C ATOM 1829 C ALA A 120 9.195 2.482 -4.960 1.00 0.00 C ATOM 1830 O ALA A 120 10.098 2.601 -5.783 1.00 0.00 O ATOM 1831 CB ALA A 120 6.915 1.494 -5.055 1.00 0.00 C ATOM 0 H ALA A 120 7.880 0.632 -2.929 1.00 0.00 H new ATOM 0 HA ALA A 120 8.716 0.536 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.760 1.995 -6.011 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.357 0.558 -5.041 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.565 2.137 -4.247 1.00 0.00 H new ATOM 1837 N LEU A 121 8.874 3.435 -4.100 1.00 0.00 N ATOM 1838 CA LEU A 121 9.591 4.690 -4.091 1.00 0.00 C ATOM 1839 C LEU A 121 11.084 4.419 -3.901 1.00 0.00 C ATOM 1840 O LEU A 121 11.933 5.148 -4.405 1.00 0.00 O ATOM 1841 CB LEU A 121 9.048 5.617 -2.998 1.00 0.00 C ATOM 1842 CG LEU A 121 9.801 5.603 -1.667 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.437 6.958 -1.390 1.00 0.00 C ATOM 1844 CD2 LEU A 121 8.859 5.213 -0.550 1.00 0.00 C ATOM 0 H LEU A 121 8.129 3.361 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 121 9.446 5.196 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.049 6.637 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.009 5.350 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 121 10.602 4.866 -1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 121 10.967 6.923 -0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 121 11.139 7.200 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.661 7.722 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.400 5.204 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.043 5.933 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.454 4.220 -0.745 1.00 0.00 H new ATOM 1856 N ARG A 122 11.383 3.347 -3.163 1.00 0.00 N ATOM 1857 CA ARG A 122 12.758 2.947 -2.886 1.00 0.00 C ATOM 1858 C ARG A 122 13.475 2.484 -4.153 1.00 0.00 C ATOM 1859 O ARG A 122 14.608 2.886 -4.417 1.00 0.00 O ATOM 1860 CB ARG A 122 12.754 1.818 -1.842 1.00 0.00 C ATOM 1861 CG ARG A 122 14.044 1.011 -1.756 1.00 0.00 C ATOM 1862 CD ARG A 122 13.802 -0.347 -1.117 1.00 0.00 C ATOM 1863 NE ARG A 122 14.951 -0.795 -0.333 1.00 0.00 N ATOM 1864 CZ ARG A 122 15.312 -0.253 0.829 1.00 0.00 C ATOM 1865 NH1 ARG A 122 14.612 0.749 1.347 1.00 0.00 N ATOM 1866 NH2 ARG A 122 16.374 -0.714 1.476 1.00 0.00 N ATOM 0 H ARG A 122 10.681 2.737 -2.744 1.00 0.00 H new ATOM 0 HA ARG A 122 13.298 3.812 -2.500 1.00 0.00 H new ATOM 0 HB2 ARG A 122 12.549 2.251 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 122 11.933 1.138 -2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 122 14.459 0.877 -2.755 1.00 0.00 H new ATOM 0 HG3 ARG A 122 14.783 1.563 -1.175 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.923 -0.294 -0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.585 -1.080 -1.894 1.00 0.00 H new ATOM 0 HE ARG A 122 15.509 -1.568 -0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 122 13.794 1.107 0.855 1.00 0.00 H new ATOM 0 HH12 ARG A 122 14.893 1.161 2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 122 16.915 -1.484 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 122 16.649 -0.298 2.366 1.00 0.00 H new ATOM 1880 N GLN A 123 12.828 1.603 -4.909 1.00 0.00 N ATOM 1881 CA GLN A 123 13.433 1.050 -6.116 1.00 0.00 C ATOM 1882 C GLN A 123 13.155 1.878 -7.374 1.00 0.00 C ATOM 1883 O GLN A 123 13.852 1.723 -8.376 1.00 0.00 O ATOM 1884 CB GLN A 123 12.943 -0.383 -6.329 1.00 0.00 C ATOM 1885 CG GLN A 123 14.061 -1.367 -6.620 1.00 0.00 C ATOM 1886 CD GLN A 123 14.201 -1.672 -8.100 1.00 0.00 C ATOM 1887 OE1 GLN A 123 13.140 -2.200 -8.701 1.00 0.00 O flip ATOM 1888 NE2 GLN A 123 15.251 -1.434 -8.697 1.00 0.00 N flip ATOM 0 H GLN A 123 11.889 1.258 -4.709 1.00 0.00 H new ATOM 0 HA GLN A 123 14.511 1.070 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.404 -0.710 -5.440 1.00 0.00 H new ATOM 0 HB3 GLN A 123 12.233 -0.397 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 123 15.002 -0.963 -6.246 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.874 -2.294 -6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 123 16.042 -1.028 -8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 123 15.330 -1.643 -9.692 1.00 0.00 H new ATOM 1897 N GLU A 124 12.133 2.731 -7.348 1.00 0.00 N ATOM 1898 CA GLU A 124 11.805 3.523 -8.535 1.00 0.00 C ATOM 1899 C GLU A 124 12.430 4.915 -8.513 1.00 0.00 C ATOM 1900 O GLU A 124 13.282 5.233 -9.342 1.00 0.00 O ATOM 1901 CB GLU A 124 10.288 3.662 -8.678 1.00 0.00 C ATOM 1902 CG GLU A 124 9.525 2.370 -8.430 1.00 0.00 C ATOM 1903 CD GLU A 124 9.143 1.663 -9.716 1.00 0.00 C ATOM 1904 OE1 GLU A 124 8.952 2.354 -10.739 1.00 0.00 O ATOM 1905 OE2 GLU A 124 9.034 0.419 -9.700 1.00 0.00 O ATOM 0 H GLU A 124 11.530 2.891 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 124 12.222 2.985 -9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 124 9.935 4.421 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.059 4.021 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.135 1.703 -7.820 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.623 2.589 -7.858 1.00 0.00 H new ATOM 1912 N SER A 125 11.986 5.749 -7.581 1.00 0.00 N ATOM 1913 CA SER A 125 12.486 7.117 -7.483 1.00 0.00 C ATOM 1914 C SER A 125 13.604 7.256 -6.457 1.00 0.00 C ATOM 1915 O SER A 125 14.740 7.588 -6.795 1.00 0.00 O ATOM 1916 CB SER A 125 11.341 8.064 -7.122 1.00 0.00 C ATOM 1917 OG SER A 125 10.315 7.379 -6.424 1.00 0.00 O ATOM 0 H SER A 125 11.283 5.504 -6.884 1.00 0.00 H new ATOM 0 HA SER A 125 12.900 7.379 -8.457 1.00 0.00 H new ATOM 0 HB2 SER A 125 11.720 8.881 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.933 8.510 -8.029 1.00 0.00 H new ATOM 0 HG SER A 125 9.595 8.006 -6.203 1.00 0.00 H new ATOM 1923 N GLY A 126 13.256 7.037 -5.197 1.00 0.00 N ATOM 1924 CA GLY A 126 14.212 7.175 -4.118 1.00 0.00 C ATOM 1925 C GLY A 126 14.071 8.526 -3.458 1.00 0.00 C ATOM 1926 O GLY A 126 14.915 9.405 -3.630 1.00 0.00 O ATOM 0 H GLY A 126 12.319 6.764 -4.901 1.00 0.00 H new ATOM 0 HA2 GLY A 126 14.056 6.386 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.225 7.056 -4.503 1.00 0.00 H new ATOM 1930 N ALA A 127 12.960 8.696 -2.739 1.00 0.00 N ATOM 1931 CA ALA A 127 12.628 9.953 -2.071 1.00 0.00 C ATOM 1932 C ALA A 127 11.761 10.804 -2.992 1.00 0.00 C ATOM 1933 O ALA A 127 10.946 11.601 -2.529 1.00 0.00 O ATOM 1934 CB ALA A 127 13.877 10.715 -1.642 1.00 0.00 C ATOM 0 H ALA A 127 12.264 7.963 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 127 12.072 9.722 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.586 11.643 -1.150 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.457 10.104 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 127 14.483 10.944 -2.519 1.00 0.00 H new ATOM 1940 N ARG A 128 11.934 10.594 -4.304 1.00 0.00 N ATOM 1941 CA ARG A 128 11.177 11.289 -5.340 1.00 0.00 C ATOM 1942 C ARG A 128 12.000 11.401 -6.613 1.00 0.00 C ATOM 1943 O ARG A 128 13.088 11.977 -6.623 1.00 0.00 O ATOM 1944 CB ARG A 128 10.723 12.681 -4.899 1.00 0.00 C ATOM 1945 CG ARG A 128 10.116 13.515 -6.017 1.00 0.00 C ATOM 1946 CD ARG A 128 11.131 14.478 -6.611 1.00 0.00 C ATOM 1947 NE ARG A 128 10.537 15.327 -7.642 1.00 0.00 N ATOM 1948 CZ ARG A 128 11.243 15.980 -8.562 1.00 0.00 C ATOM 1949 NH1 ARG A 128 12.567 15.890 -8.581 1.00 0.00 N ATOM 1950 NH2 ARG A 128 10.622 16.726 -9.465 1.00 0.00 N ATOM 0 H ARG A 128 12.612 9.928 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 128 10.283 10.694 -5.528 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.991 12.577 -4.098 1.00 0.00 H new ATOM 0 HB3 ARG A 128 11.577 13.216 -4.483 1.00 0.00 H new ATOM 0 HG2 ARG A 128 9.738 12.856 -6.799 1.00 0.00 H new ATOM 0 HG3 ARG A 128 9.264 14.075 -5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 128 11.545 15.103 -5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 128 11.960 13.914 -7.038 1.00 0.00 H new ATOM 0 HE ARG A 128 9.522 15.425 -7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 128 13.049 15.318 -7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 128 13.102 16.393 -9.289 1.00 0.00 H new ATOM 0 HH21 ARG A 128 9.605 16.799 -9.454 1.00 0.00 H new ATOM 0 HH22 ARG A 128 11.162 17.227 -10.171 1.00 0.00 H new ATOM 1964 N GLY A 129 11.464 10.843 -7.682 1.00 0.00 N ATOM 1965 CA GLY A 129 12.144 10.878 -8.964 1.00 0.00 C ATOM 1966 C GLY A 129 11.585 9.870 -9.949 1.00 0.00 C ATOM 1967 O GLY A 129 12.337 9.128 -10.581 1.00 0.00 O ATOM 0 H GLY A 129 10.564 10.362 -7.689 1.00 0.00 H new ATOM 0 HA2 GLY A 129 12.061 11.879 -9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 129 13.206 10.683 -8.813 1.00 0.00 H new ATOM 1971 N SER A 130 10.263 9.841 -10.080 1.00 0.00 N ATOM 1972 CA SER A 130 9.607 8.915 -10.995 1.00 0.00 C ATOM 1973 C SER A 130 8.492 9.611 -11.769 1.00 0.00 C ATOM 1974 O SER A 130 7.926 10.590 -11.237 1.00 0.00 O ATOM 1975 CB SER A 130 9.041 7.720 -10.225 1.00 0.00 C ATOM 1976 OG SER A 130 9.980 6.661 -10.166 1.00 0.00 O ATOM 0 H SER A 130 9.625 10.448 -9.564 1.00 0.00 H new ATOM 0 HA SER A 130 10.351 8.560 -11.708 1.00 0.00 H new ATOM 0 HB2 SER A 130 8.772 8.029 -9.215 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.127 7.373 -10.706 1.00 0.00 H new ATOM 0 HG SER A 130 10.072 6.356 -9.239 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -12.188 17.900 -9.812 1.00 0.00 C HETATM 1984 O ACE B 201 -11.280 17.501 -10.542 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -12.987 19.148 -10.172 1.00 0.00 C HETATM 0 H1 ACE B 201 -14.040 18.887 -10.280 1.00 0.00 H new HETATM 0 H2 ACE B 201 -12.877 19.891 -9.382 1.00 0.00 H new HETATM 0 H3 ACE B 201 -12.616 19.559 -11.111 1.00 0.00 H new ATOM 1989 N ASP B 202 -12.529 17.286 -8.684 1.00 0.00 N ATOM 1990 CA ASP B 202 -11.992 17.703 -7.394 1.00 0.00 C ATOM 1991 C ASP B 202 -11.398 16.516 -6.642 1.00 0.00 C ATOM 1992 O ASP B 202 -11.875 15.388 -6.768 1.00 0.00 O ATOM 1993 CB ASP B 202 -13.086 18.361 -6.551 1.00 0.00 C ATOM 1994 CG ASP B 202 -13.225 19.844 -6.838 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -12.327 20.613 -6.436 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -14.231 20.235 -7.467 1.00 0.00 O ATOM 0 H ASP B 202 -13.175 16.498 -8.637 1.00 0.00 H new ATOM 0 HA ASP B 202 -11.199 18.428 -7.576 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -14.037 17.866 -6.745 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -12.862 18.218 -5.494 1.00 0.00 H new ATOM 2001 N GLU B 203 -10.356 16.778 -5.859 1.00 0.00 N ATOM 2002 CA GLU B 203 -9.698 15.732 -5.086 1.00 0.00 C ATOM 2003 C GLU B 203 -9.445 16.196 -3.655 1.00 0.00 C ATOM 2004 O GLU B 203 -9.869 17.283 -3.262 1.00 0.00 O ATOM 2005 CB GLU B 203 -8.378 15.331 -5.751 1.00 0.00 C ATOM 2006 CG GLU B 203 -7.480 16.511 -6.085 1.00 0.00 C ATOM 2007 CD GLU B 203 -6.317 16.648 -5.122 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -5.799 15.608 -4.665 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -5.923 17.796 -4.827 1.00 0.00 O ATOM 0 H GLU B 203 -9.950 17.706 -5.744 1.00 0.00 H new ATOM 0 HA GLU B 203 -10.356 14.864 -5.056 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -7.840 14.652 -5.090 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -8.595 14.780 -6.666 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -7.096 16.396 -7.099 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -8.070 17.428 -6.070 1.00 0.00 H new HETATM 2016 N PTR B 204 -8.755 15.366 -2.878 1.00 0.00 N HETATM 2017 CA PTR B 204 -8.451 15.694 -1.489 1.00 0.00 C HETATM 2018 C PTR B 204 -7.151 16.489 -1.382 1.00 0.00 C HETATM 2019 O PTR B 204 -6.259 16.140 -0.607 1.00 0.00 O HETATM 2020 CB PTR B 204 -8.348 14.412 -0.659 1.00 0.00 C HETATM 2021 CG PTR B 204 -9.598 13.561 -0.705 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -9.529 12.202 -0.988 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -10.848 14.120 -0.468 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -10.671 11.424 -1.030 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -11.994 13.348 -0.509 1.00 0.00 C HETATM 2026 CZ PTR B 204 -11.900 12.001 -0.791 1.00 0.00 C HETATM 2027 OH PTR B 204 -13.039 11.228 -0.833 1.00 0.00 O HETATM 2028 P PTR B 204 -14.010 11.287 0.387 1.00 0.00 P HETATM 2029 O1P PTR B 204 -14.731 9.913 0.385 1.00 0.00 O HETATM 2030 O2P PTR B 204 -15.030 12.395 0.021 1.00 0.00 O HETATM 2031 O3P PTR B 204 -13.298 11.562 1.678 1.00 0.00 O HETATM 0 HE2 PTR B 204 -12.967 13.801 -0.319 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -10.600 10.359 -1.251 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -10.926 15.184 -0.246 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -8.559 11.742 -1.180 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -7.504 13.823 -1.018 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -8.135 14.676 0.377 1.00 0.00 H new HETATM 0 HA PTR B 204 -9.261 16.312 -1.102 1.00 0.00 H new ATOM 2040 N ASP B 205 -7.054 17.563 -2.159 1.00 0.00 N ATOM 2041 CA ASP B 205 -5.869 18.417 -2.151 1.00 0.00 C ATOM 2042 C ASP B 205 -4.589 17.601 -2.315 1.00 0.00 C ATOM 2043 O ASP B 205 -4.633 16.408 -2.615 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.809 19.226 -0.853 1.00 0.00 C ATOM 2045 CG ASP B 205 -5.349 20.652 -1.081 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -4.340 20.845 -1.791 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -5.999 21.578 -0.550 1.00 0.00 O ATOM 0 H ASP B 205 -7.784 17.864 -2.805 1.00 0.00 H new ATOM 0 HA ASP B 205 -5.945 19.098 -2.999 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -6.795 19.235 -0.388 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -5.131 18.736 -0.154 1.00 0.00 H new ATOM 2052 N ASP B 206 -3.451 18.258 -2.115 1.00 0.00 N ATOM 2053 CA ASP B 206 -2.152 17.606 -2.239 1.00 0.00 C ATOM 2054 C ASP B 206 -1.822 16.808 -0.978 1.00 0.00 C ATOM 2055 O ASP B 206 -2.501 16.937 0.041 1.00 0.00 O ATOM 2056 CB ASP B 206 -1.064 18.650 -2.500 1.00 0.00 C ATOM 2057 CG ASP B 206 -0.657 18.708 -3.960 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -1.520 19.031 -4.804 1.00 0.00 O ATOM 2059 OD2 ASP B 206 0.523 18.432 -4.258 1.00 0.00 O ATOM 0 H ASP B 206 -3.402 19.246 -1.865 1.00 0.00 H new ATOM 0 HA ASP B 206 -2.193 16.915 -3.081 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -1.422 19.630 -2.186 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -0.190 18.420 -1.891 1.00 0.00 H new ATOM 2064 N PRO B 207 -0.769 15.967 -1.028 1.00 0.00 N ATOM 2065 CA PRO B 207 -0.351 15.147 0.112 1.00 0.00 C ATOM 2066 C PRO B 207 -0.282 15.944 1.411 1.00 0.00 C ATOM 2067 O PRO B 207 -0.139 17.167 1.395 1.00 0.00 O ATOM 2068 CB PRO B 207 1.046 14.639 -0.286 1.00 0.00 C ATOM 2069 CG PRO B 207 1.399 15.355 -1.550 1.00 0.00 C ATOM 2070 CD PRO B 207 0.099 15.743 -2.190 1.00 0.00 C ATOM 0 HA PRO B 207 -1.063 14.345 0.309 1.00 0.00 H new ATOM 0 HB2 PRO B 207 1.775 14.847 0.497 1.00 0.00 H new ATOM 0 HB3 PRO B 207 1.040 13.560 -0.437 1.00 0.00 H new ATOM 0 HG2 PRO B 207 2.008 16.235 -1.342 1.00 0.00 H new ATOM 0 HG3 PRO B 207 1.982 14.713 -2.211 1.00 0.00 H new ATOM 0 HD2 PRO B 207 0.199 16.640 -2.802 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -0.285 14.956 -2.839 1.00 0.00 H new ATOM 2078 N PHE B 208 -0.387 15.238 2.534 1.00 0.00 N ATOM 2079 CA PHE B 208 -0.341 15.861 3.855 1.00 0.00 C ATOM 2080 C PHE B 208 -1.238 17.098 3.919 1.00 0.00 C ATOM 2081 O PHE B 208 -2.430 16.997 4.207 1.00 0.00 O ATOM 2082 CB PHE B 208 1.099 16.231 4.220 1.00 0.00 C ATOM 2083 CG PHE B 208 2.035 15.055 4.258 1.00 0.00 C ATOM 2084 CD1 PHE B 208 1.721 13.917 4.988 1.00 0.00 C ATOM 2085 CD2 PHE B 208 3.234 15.091 3.564 1.00 0.00 C ATOM 2086 CE1 PHE B 208 2.586 12.841 5.022 1.00 0.00 C ATOM 2087 CE2 PHE B 208 4.102 14.016 3.597 1.00 0.00 C ATOM 2088 CZ PHE B 208 3.777 12.891 4.327 1.00 0.00 C ATOM 0 H PHE B 208 -0.506 14.225 2.555 1.00 0.00 H new ATOM 0 HA PHE B 208 -0.715 15.137 4.579 1.00 0.00 H new ATOM 0 HB2 PHE B 208 1.472 16.958 3.498 1.00 0.00 H new ATOM 0 HB3 PHE B 208 1.103 16.719 5.195 1.00 0.00 H new ATOM 0 HD1 PHE B 208 0.791 13.873 5.535 1.00 0.00 H new ATOM 0 HD2 PHE B 208 3.493 15.969 2.991 1.00 0.00 H new ATOM 0 HE1 PHE B 208 2.330 11.960 5.593 1.00 0.00 H new ATOM 0 HE2 PHE B 208 5.034 14.056 3.052 1.00 0.00 H new ATOM 0 HZ PHE B 208 4.454 12.050 4.354 1.00 0.00 H new HETATM 2098 N NH2 B 209 -0.664 18.267 3.650 1.00 0.00 N TER 2101 NH2 B 209